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 2who_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQPE DATA SEQUENCE KGGRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV K 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.578 174.600 -0.037 0.000 1.055 1 S CA 0.000 58.183 58.200 -0.028 0.000 1.107 1 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 2 M N 2.577 122.150 119.600 -0.046 0.000 2.188 2 M HA 0.252 4.732 4.480 -0.000 0.000 0.354 2 M C 1.827 178.039 176.300 -0.146 0.000 1.342 2 M CA 0.069 55.334 55.300 -0.058 0.000 1.117 2 M CB 0.649 33.235 32.600 -0.022 0.000 1.670 2 M HN 0.580 nan 8.290 nan 0.000 0.466 3 S N 3.697 119.251 115.700 -0.242 0.000 2.370 3 S HA -0.104 4.365 4.470 -0.000 0.000 0.226 3 S C 0.210 174.474 174.600 -0.561 0.000 1.033 3 S CA 1.038 58.990 58.200 -0.414 0.000 1.011 3 S CB -0.208 62.667 63.200 -0.541 0.000 0.852 3 S HN 0.629 nan 8.310 nan 0.000 0.457 4 Y N 0.221 120.380 120.300 -0.235 0.000 2.553 4 Y HA 0.593 5.143 4.550 -0.000 0.000 0.347 4 Y C -0.236 175.419 175.900 -0.408 0.000 1.019 4 Y CA -1.042 56.806 58.100 -0.419 0.000 1.032 4 Y CB 2.084 40.138 38.460 -0.676 0.000 1.284 4 Y HN -0.136 nan 8.280 nan 0.000 0.466 5 T N 1.551 115.899 114.554 -0.343 0.000 2.812 5 T HA 0.384 4.734 4.350 -0.000 0.000 0.282 5 T C -1.213 173.261 174.700 -0.378 0.000 0.990 5 T CA -0.816 61.146 62.100 -0.231 0.000 0.960 5 T CB 0.397 69.219 68.868 -0.076 0.000 0.948 5 T HN 0.431 nan 8.240 nan 0.000 0.438 6 W N 1.700 123.056 121.300 0.093 0.000 2.576 6 W HA 0.627 5.287 4.660 -0.000 0.000 0.360 6 W C 0.891 177.440 176.519 0.050 0.000 1.109 6 W CA -0.822 56.562 57.345 0.066 0.000 1.237 6 W CB 0.740 30.221 29.460 0.034 0.000 1.369 6 W HN 0.700 nan 8.180 nan 0.000 0.609 7 T N -2.756 111.977 114.554 0.298 0.000 2.870 7 T HA 0.508 4.858 4.350 -0.000 0.000 0.277 7 T C 1.177 175.970 174.700 0.155 0.000 1.000 7 T CA -0.149 62.057 62.100 0.176 0.000 0.982 7 T CB 0.997 69.943 68.868 0.129 0.000 1.249 7 T HN 0.616 nan 8.240 nan 0.000 0.589 8 G N 0.464 109.322 108.800 0.097 0.000 2.469 8 G HA2 0.127 4.086 3.960 -0.000 0.000 0.219 8 G HA3 0.127 4.086 3.960 -0.000 0.000 0.219 8 G C 0.857 175.793 174.900 0.061 0.000 1.150 8 G CA 0.541 45.680 45.100 0.065 0.000 0.763 8 G HN 1.285 nan 8.290 nan 0.000 0.561 9 A N -0.161 122.705 122.820 0.078 0.000 2.531 9 A HA 0.466 4.786 4.320 -0.000 0.000 0.236 9 A C 0.361 177.975 177.584 0.049 0.000 1.062 9 A CA -0.102 51.972 52.037 0.061 0.000 0.760 9 A CB 0.091 19.134 19.000 0.071 0.000 0.995 9 A HN 0.347 nan 8.150 nan 0.000 0.501 10 L N 2.135 123.372 121.223 0.022 0.000 2.375 10 L HA 0.311 4.651 4.340 -0.000 0.000 0.271 10 L C 0.072 176.948 176.870 0.010 0.000 1.107 10 L CA -0.388 54.450 54.840 -0.004 0.000 0.806 10 L CB 0.782 42.837 42.059 -0.008 0.000 1.146 10 L HN 0.559 nan 8.230 nan 0.000 0.447 11 I N 2.034 122.596 120.570 -0.013 0.000 2.436 11 I HA 0.079 4.249 4.170 -0.000 0.000 0.289 11 I C 0.472 176.595 176.117 0.010 0.000 1.083 11 I CA 0.187 61.492 61.300 0.008 0.000 1.372 11 I CB 0.620 38.612 38.000 -0.014 0.000 1.408 11 I HN 0.671 nan 8.210 nan 0.000 0.516 12 T N 4.814 119.383 114.554 0.024 0.000 2.912 12 T HA 0.610 4.960 4.350 -0.000 0.000 0.288 12 T C -2.499 172.223 174.700 0.036 0.000 1.030 12 T CA -2.094 60.020 62.100 0.025 0.000 1.020 12 T CB 1.877 70.758 68.868 0.022 0.000 1.056 12 T HN 0.213 nan 8.240 nan 0.000 0.480 13 P HA 0.265 nan 4.420 nan 0.000 0.274 13 P C 0.624 177.949 177.300 0.043 0.000 1.256 13 P CA -0.675 62.451 63.100 0.043 0.000 0.795 13 P CB 0.456 32.180 31.700 0.040 0.000 1.038 14 C N -1.998 117.331 119.300 0.048 0.000 3.336 14 C HA 0.850 5.310 4.460 -0.000 0.000 0.291 14 C C 0.492 175.504 174.990 0.037 0.000 1.363 14 C CA 0.006 59.050 59.018 0.044 0.000 1.737 14 C CB -0.929 26.846 27.740 0.058 0.000 2.274 14 C HN 0.773 nan 8.230 nan 0.000 0.663 15 A N 0.183 123.025 122.820 0.037 0.000 2.415 15 A HA 0.716 5.035 4.320 -0.000 0.000 0.294 15 A C -0.498 177.110 177.584 0.040 0.000 1.019 15 A CA -0.047 52.011 52.037 0.034 0.000 0.603 15 A CB -0.627 18.394 19.000 0.034 0.000 1.382 15 A HN 1.674 nan 8.150 nan 0.000 0.483 16 A N -0.054 122.789 122.820 0.040 0.000 2.531 16 A HA 0.516 4.836 4.320 -0.000 0.000 0.236 16 A C 0.029 177.651 177.584 0.063 0.000 1.062 16 A CA 0.687 52.752 52.037 0.047 0.000 0.760 16 A CB -0.286 18.740 19.000 0.043 0.000 0.995 16 A HN 0.598 nan 8.150 nan 0.000 0.501 17 E N 1.608 121.851 120.200 0.071 0.000 2.185 17 E HA 0.281 4.631 4.350 -0.000 0.000 0.261 17 E C -1.039 175.633 176.600 0.121 0.000 0.879 17 E CA -0.720 55.736 56.400 0.093 0.000 0.756 17 E CB 1.414 31.162 29.700 0.080 0.000 1.152 17 E HN 0.618 nan 8.360 nan 0.000 0.416 18 E N 1.407 121.713 120.200 0.176 0.000 2.259 18 E HA 0.072 4.422 4.350 -0.000 0.000 0.281 18 E C 0.457 177.251 176.600 0.323 0.000 1.027 18 E CA -0.103 56.431 56.400 0.224 0.000 0.838 18 E CB 1.529 31.377 29.700 0.246 0.000 1.066 18 E HN 0.559 nan 8.360 nan 0.000 0.401 19 S N 1.786 117.652 115.700 0.277 0.000 2.559 19 S HA 0.206 4.676 4.470 -0.000 0.000 0.226 19 S C 0.468 175.308 174.600 0.401 0.000 1.000 19 S CA -0.160 58.227 58.200 0.311 0.000 0.948 19 S CB 0.498 63.818 63.200 0.199 0.000 0.870 19 S HN 0.261 nan 8.310 nan 0.000 0.497 20 K N 0.703 121.307 120.400 0.339 0.000 2.464 20 K HA 0.501 4.821 4.320 -0.000 0.000 0.253 20 K C -1.501 175.029 176.600 -0.116 0.000 0.933 20 K CA -0.879 55.521 56.287 0.187 0.000 0.801 20 K CB 2.060 34.596 32.500 0.059 0.000 1.271 20 K HN 0.164 nan 8.250 nan 0.000 0.430 21 L N 4.370 125.524 121.223 -0.114 0.000 2.490 21 L HA 0.216 4.556 4.340 -0.000 0.000 0.274 21 L C -2.238 174.444 176.870 -0.313 0.000 1.201 21 L CA -0.576 54.042 54.840 -0.371 0.000 0.869 21 L CB 0.062 42.096 42.059 -0.041 0.000 1.123 21 L HN 0.519 nan 8.230 nan 0.000 0.484 22 P HA 0.292 nan 4.420 nan 0.000 0.277 22 P C -1.156 176.076 177.300 -0.112 0.000 1.271 22 P CA -0.230 62.743 63.100 -0.210 0.000 0.795 22 P CB 0.429 32.005 31.700 -0.206 0.000 1.101 23 I N -0.465 120.067 120.570 -0.063 0.000 2.395 23 I HA 0.339 4.509 4.170 -0.000 0.000 0.282 23 I C 0.197 176.316 176.117 0.003 0.000 1.107 23 I CA -0.530 60.781 61.300 0.017 0.000 1.210 23 I CB -0.872 37.154 38.000 0.044 0.000 1.456 23 I HN 0.085 nan 8.210 nan 0.000 0.504 24 N N 3.108 121.809 118.700 0.002 0.000 2.524 24 N HA 0.425 5.165 4.740 -0.000 0.000 0.283 24 N C 1.136 176.656 175.510 0.016 0.000 1.142 24 N CA 0.148 53.200 53.050 0.002 0.000 0.984 24 N CB 1.916 40.402 38.487 -0.001 0.000 1.155 24 N HN 0.535 nan 8.380 nan 0.000 0.467 25 A N 2.939 125.765 122.820 0.009 0.000 1.933 25 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 25 A C 1.813 179.406 177.584 0.015 0.000 1.175 25 A CA 1.053 53.095 52.037 0.007 0.000 0.628 25 A CB -0.379 18.620 19.000 -0.001 0.000 0.814 25 A HN 0.595 nan 8.150 nan 0.000 0.444 26 L N 0.665 121.901 121.223 0.022 0.000 2.141 26 L HA -0.106 4.233 4.340 -0.000 0.000 0.209 26 L C 2.910 179.838 176.870 0.098 0.000 1.094 26 L CA 2.240 57.113 54.840 0.054 0.000 0.763 26 L CB -1.273 40.800 42.059 0.023 0.000 0.908 26 L HN 0.623 nan 8.230 nan 0.000 0.437 27 S N -1.392 114.346 115.700 0.064 0.000 2.387 27 S HA -0.151 4.318 4.470 -0.000 0.000 0.226 27 S C 1.829 176.457 174.600 0.046 0.000 1.026 27 S CA 0.980 59.219 58.200 0.065 0.000 0.972 27 S CB -0.592 62.639 63.200 0.052 0.000 0.814 27 S HN 0.489 nan 8.310 nan 0.000 0.477 28 N N 1.522 120.244 118.700 0.036 0.000 2.396 28 N HA -0.075 4.665 4.740 -0.000 0.000 0.180 28 N C 1.790 177.297 175.510 -0.006 0.000 1.028 28 N CA 1.277 54.336 53.050 0.014 0.000 0.893 28 N CB -0.131 38.358 38.487 0.003 0.000 0.967 28 N HN 0.725 nan 8.380 nan 0.000 0.440 29 S N 0.149 115.846 115.700 -0.006 0.000 2.436 29 S HA -0.073 4.397 4.470 -0.000 0.000 0.228 29 S C 1.946 176.519 174.600 -0.045 0.000 1.014 29 S CA 0.212 58.386 58.200 -0.042 0.000 0.950 29 S CB -0.231 62.956 63.200 -0.022 0.000 0.784 29 S HN 0.212 nan 8.310 nan 0.000 0.504 30 L N 0.558 121.750 121.223 -0.051 0.000 2.131 30 L HA 0.472 4.811 4.340 -0.000 0.000 0.206 30 L C 0.060 176.985 176.870 0.092 0.000 1.087 30 L CA 1.207 56.027 54.840 -0.033 0.000 0.767 30 L CB -0.136 41.688 42.059 -0.391 0.000 0.917 30 L HN 0.511 nan 8.230 nan 0.000 0.441 31 L N -1.230 120.026 121.223 0.054 0.000 2.676 31 L HA 0.483 4.822 4.340 -0.000 0.000 0.262 31 L C 0.065 176.977 176.870 0.070 0.000 0.932 31 L CA 0.517 55.405 54.840 0.080 0.000 0.932 31 L CB 0.781 42.891 42.059 0.084 0.000 1.355 31 L HN 0.049 nan 8.230 nan 0.000 0.421 32 R N 2.842 123.394 120.500 0.087 0.000 2.419 32 R HA 0.325 4.664 4.340 -0.000 0.000 0.235 32 R C 0.354 176.618 176.300 -0.060 0.000 0.899 32 R CA 0.810 56.905 56.100 -0.008 0.000 1.048 32 R CB -0.534 29.761 30.300 -0.009 0.000 1.182 32 R HN 0.798 nan 8.270 nan 0.000 0.544 33 H N 1.715 120.749 119.070 -0.061 0.000 2.745 33 H HA 0.085 4.641 4.556 -0.000 0.000 0.235 33 H C 0.454 175.838 175.328 0.092 0.000 1.815 33 H CA -0.210 55.827 56.048 -0.019 0.000 1.321 33 H CB 0.413 30.190 29.762 0.026 0.000 1.716 33 H HN 0.694 nan 8.280 nan 0.000 0.546 34 H N -0.283 118.861 119.070 0.123 0.000 2.524 34 H HA -0.038 4.518 4.556 -0.000 0.000 0.282 34 H C 1.090 176.491 175.328 0.122 0.000 1.016 34 H CA 0.051 56.164 56.048 0.109 0.000 1.270 34 H CB -0.100 29.698 29.762 0.060 0.000 1.394 34 H HN 0.306 nan 8.280 nan 0.000 0.568 35 N N 0.351 119.327 118.700 0.459 0.000 2.550 35 N HA -0.018 4.722 4.740 -0.000 0.000 0.186 35 N C 1.196 176.839 175.510 0.223 0.000 1.110 35 N CA 0.645 53.840 53.050 0.242 0.000 0.912 35 N CB -0.063 38.538 38.487 0.191 0.000 0.968 35 N HN 0.491 nan 8.380 nan 0.000 0.448 36 M N -0.343 119.409 119.600 0.253 0.000 2.476 36 M HA 0.062 4.542 4.480 -0.000 0.000 0.262 36 M C 0.133 176.626 176.300 0.322 0.000 1.111 36 M CA 0.404 55.852 55.300 0.246 0.000 1.127 36 M CB 0.657 33.381 32.600 0.207 0.000 1.376 36 M HN -0.265 nan 8.290 nan 0.000 0.465 37 V N 1.964 122.069 119.914 0.319 0.000 2.348 37 V HA 0.197 4.317 4.120 -0.000 0.000 0.270 37 V C -0.560 175.798 176.094 0.440 0.000 1.037 37 V CA -0.619 61.880 62.300 0.332 0.000 0.872 37 V CB -0.453 31.558 31.823 0.314 0.000 1.002 37 V HN 0.279 nan 8.190 nan 0.000 0.464 38 Y N 3.264 123.708 120.300 0.241 0.000 2.753 38 Y HA 0.977 5.526 4.550 -0.000 0.000 0.324 38 Y C -0.212 175.723 175.900 0.058 0.000 1.147 38 Y CA -1.436 56.804 58.100 0.234 0.000 1.173 38 Y CB 1.868 40.429 38.460 0.168 0.000 1.361 38 Y HN 0.555 nan 8.280 nan 0.000 0.545 39 A N 1.160 124.037 122.820 0.095 0.000 2.408 39 A HA 0.539 4.859 4.320 -0.000 0.000 0.295 39 A C -0.398 177.261 177.584 0.125 0.000 1.040 39 A CA -0.446 51.479 52.037 -0.187 0.000 0.707 39 A CB 0.446 19.225 19.000 -0.369 0.000 1.235 39 A HN 1.045 nan 8.150 nan 0.000 0.418 40 T N 0.659 115.282 114.554 0.116 0.000 2.932 40 T HA 0.513 4.863 4.350 -0.000 0.000 0.312 40 T C 0.514 175.280 174.700 0.109 0.000 1.071 40 T CA 0.675 62.892 62.100 0.195 0.000 1.128 40 T CB 0.415 69.412 68.868 0.214 0.000 0.984 40 T HN 1.643 nan 8.240 nan 0.000 0.549 41 T N -1.730 112.889 114.554 0.109 0.000 2.804 41 T HA 0.505 4.854 4.350 -0.000 0.000 0.290 41 T C 1.465 176.200 174.700 0.058 0.000 1.099 41 T CA -0.276 61.870 62.100 0.077 0.000 1.011 41 T CB 1.149 70.065 68.868 0.080 0.000 1.291 41 T HN 0.753 nan 8.240 nan 0.000 0.523 42 S N 0.253 115.980 115.700 0.045 0.000 2.419 42 S HA -0.177 4.293 4.470 -0.000 0.000 0.235 42 S C 1.855 176.462 174.600 0.011 0.000 1.019 42 S CA 0.674 58.889 58.200 0.026 0.000 0.982 42 S CB -0.791 62.423 63.200 0.025 0.000 0.789 42 S HN 0.706 nan 8.310 nan 0.000 0.490 43 R N 1.697 122.210 120.500 0.021 0.000 2.133 43 R HA -0.096 4.244 4.340 -0.000 0.000 0.247 43 R C 2.500 178.798 176.300 -0.002 0.000 1.151 43 R CA 1.766 57.872 56.100 0.010 0.000 0.971 43 R CB -0.836 29.477 30.300 0.022 0.000 0.866 43 R HN 0.765 nan 8.270 nan 0.000 0.447 44 S N -0.022 115.683 115.700 0.009 0.000 2.593 44 S HA 0.184 4.654 4.470 -0.000 0.000 0.217 44 S C 1.990 176.572 174.600 -0.030 0.000 0.966 44 S CA 0.330 58.528 58.200 -0.004 0.000 0.914 44 S CB 0.488 63.703 63.200 0.025 0.000 0.776 44 S HN 0.326 nan 8.310 nan 0.000 0.523 45 A N 2.135 124.932 122.820 -0.039 0.000 1.958 45 A HA 0.036 4.356 4.320 -0.000 0.000 0.221 45 A C 2.267 179.757 177.584 -0.156 0.000 1.178 45 A CA 1.752 53.742 52.037 -0.079 0.000 0.642 45 A CB -1.638 17.317 19.000 -0.076 0.000 0.816 45 A HN 0.639 nan 8.150 nan 0.000 0.453 46 G N -0.489 108.218 108.800 -0.155 0.000 2.403 46 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.216 46 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.216 46 G C 1.515 176.311 174.900 -0.173 0.000 1.154 46 G CA 0.870 45.845 45.100 -0.209 0.000 0.784 46 G HN 0.456 nan 8.290 nan 0.000 0.538 47 L N -0.215 120.944 121.223 -0.107 0.000 2.046 47 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 47 L C 2.898 179.726 176.870 -0.068 0.000 1.077 47 L CA 1.284 56.080 54.840 -0.073 0.000 0.747 47 L CB -0.319 41.713 42.059 -0.045 0.000 0.896 47 L HN 0.139 nan 8.230 nan 0.000 0.432 48 R N 0.364 120.819 120.500 -0.075 0.000 2.075 48 R HA -0.155 4.185 4.340 -0.000 0.000 0.232 48 R C 2.292 178.538 176.300 -0.091 0.000 1.126 48 R CA 1.495 57.564 56.100 -0.052 0.000 0.963 48 R CB -0.344 29.935 30.300 -0.034 0.000 0.858 48 R HN 0.355 nan 8.270 nan 0.000 0.435 49 Q N -0.124 119.536 119.800 -0.233 0.000 2.112 49 Q HA -0.245 4.095 4.340 -0.000 0.000 0.206 49 Q C 2.017 177.917 176.000 -0.165 0.000 0.987 49 Q CA 2.148 57.716 55.803 -0.392 0.000 0.858 49 Q CB -0.169 28.014 28.738 -0.926 0.000 0.905 49 Q HN 0.226 nan 8.270 nan 0.000 0.420 50 K N 1.006 121.333 120.400 -0.122 0.000 2.026 50 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 50 K C 2.021 178.675 176.600 0.091 0.000 1.048 50 K CA 1.311 57.592 56.287 -0.010 0.000 0.929 50 K CB 0.032 32.517 32.500 -0.025 0.000 0.713 50 K HN -0.046 nan 8.250 nan 0.000 0.439 51 K N 0.273 120.722 120.400 0.082 0.000 2.026 51 K HA -0.105 4.215 4.320 -0.000 0.000 0.208 51 K C 1.681 178.456 176.600 0.292 0.000 1.048 51 K CA 1.650 58.027 56.287 0.151 0.000 0.929 51 K CB 0.031 32.592 32.500 0.103 0.000 0.713 51 K HN 0.224 nan 8.250 nan 0.000 0.439 52 V N -1.038 119.020 119.914 0.240 0.000 3.573 52 V HA 0.076 4.196 4.120 -0.000 0.000 0.270 52 V C 0.182 176.418 176.094 0.238 0.000 1.221 52 V CA 0.387 62.864 62.300 0.294 0.000 1.163 52 V CB -0.019 31.927 31.823 0.204 0.000 0.847 52 V HN 0.010 nan 8.190 nan 0.000 0.468 53 T N 4.154 118.885 114.554 0.295 0.000 2.801 53 T HA 0.725 5.075 4.350 -0.000 0.000 0.306 53 T C -0.792 174.069 174.700 0.268 0.000 1.020 53 T CA -0.084 62.176 62.100 0.267 0.000 0.948 53 T CB 0.291 69.416 68.868 0.428 0.000 0.962 53 T HN 0.607 nan 8.240 nan 0.000 0.465 54 F N -0.232 119.825 119.950 0.178 0.000 2.713 54 F HA 0.648 5.175 4.527 -0.000 0.000 0.311 54 F C -0.869 174.976 175.800 0.076 0.000 1.141 54 F CA -1.632 56.433 58.000 0.110 0.000 0.939 54 F CB 0.686 39.737 39.000 0.086 0.000 1.325 54 F HN 0.129 nan 8.300 nan 0.000 0.453 55 D N 1.107 121.677 120.400 0.283 0.000 2.389 55 D HA 0.336 4.976 4.640 -0.000 0.000 0.247 55 D C -0.739 175.726 176.300 0.275 0.000 1.128 55 D CA 0.070 54.177 54.000 0.178 0.000 0.884 55 D CB 0.851 41.725 40.800 0.124 0.000 1.194 55 D HN 0.542 nan 8.370 nan 0.000 0.441 56 R N 2.398 122.997 120.500 0.165 0.000 2.338 56 R HA 0.524 4.864 4.340 -0.000 0.000 0.317 56 R C -0.644 175.710 176.300 0.089 0.000 0.968 56 R CA -0.501 55.705 56.100 0.178 0.000 0.849 56 R CB 1.182 31.551 30.300 0.115 0.000 1.128 56 R HN 0.353 nan 8.270 nan 0.000 0.448 57 L N 2.491 123.760 121.223 0.077 0.000 2.317 57 L HA 0.527 4.867 4.340 -0.000 0.000 0.281 57 L C -0.378 176.508 176.870 0.026 0.000 1.024 57 L CA -0.651 54.211 54.840 0.036 0.000 0.810 57 L CB 1.869 43.943 42.059 0.025 0.000 1.240 57 L HN 0.530 nan 8.230 nan 0.000 0.427 58 Q N 2.526 122.330 119.800 0.007 0.000 2.271 58 Q HA 0.554 4.894 4.340 -0.000 0.000 0.268 58 Q C -2.045 173.944 176.000 -0.019 0.000 1.021 58 Q CA -0.497 55.305 55.803 -0.002 0.000 0.802 58 Q CB 2.812 31.536 28.738 -0.023 0.000 1.282 58 Q HN 0.441 nan 8.270 nan 0.000 0.431 59 V N 5.429 125.343 119.914 0.000 0.000 2.443 59 V HA 0.435 4.555 4.120 -0.000 0.000 0.293 59 V C -0.295 175.818 176.094 0.032 0.000 1.021 59 V CA -0.618 61.678 62.300 -0.005 0.000 0.848 59 V CB 1.522 33.345 31.823 -0.001 0.000 0.998 59 V HN 0.772 nan 8.190 nan 0.000 0.424 60 L N 4.674 125.859 121.223 -0.064 0.000 2.399 60 L HA 0.728 5.068 4.340 -0.000 0.000 0.265 60 L C -0.177 176.707 176.870 0.024 0.000 1.089 60 L CA -0.372 54.385 54.840 -0.138 0.000 0.802 60 L CB 1.570 43.394 42.059 -0.391 0.000 1.180 60 L HN 0.814 nan 8.230 nan 0.000 0.454 61 D N -1.755 118.711 120.400 0.111 0.000 2.744 61 D HA 0.174 4.814 4.640 -0.000 0.000 0.304 61 D C -0.110 176.248 176.300 0.098 0.000 1.179 61 D CA -0.584 53.482 54.000 0.111 0.000 1.024 61 D CB 0.584 41.479 40.800 0.159 0.000 1.453 61 D HN 0.251 nan 8.370 nan 0.000 0.529 62 D N -1.405 118.997 120.400 0.004 0.000 2.264 62 D HA -0.107 4.533 4.640 -0.000 0.000 0.208 62 D C 1.580 177.849 176.300 -0.051 0.000 0.966 62 D CA 0.989 54.960 54.000 -0.049 0.000 0.864 62 D CB -0.124 40.604 40.800 -0.121 0.000 0.933 62 D HN 0.371 nan 8.370 nan 0.000 0.499 63 H N -0.678 118.449 119.070 0.095 0.000 2.321 63 H HA -0.161 4.395 4.556 0.000 0.000 0.300 63 H C 1.929 177.279 175.328 0.036 0.000 1.087 63 H CA 1.159 57.254 56.048 0.078 0.000 1.319 63 H CB -0.710 29.129 29.762 0.129 0.000 1.379 63 H HN 0.303 nan 8.280 nan 0.000 0.501 64 Y N 1.908 122.210 120.300 0.003 0.000 2.165 64 Y HA -0.255 4.294 4.550 -0.000 0.000 0.286 64 Y C 2.716 178.552 175.900 -0.106 0.000 1.155 64 Y CA 1.698 59.682 58.100 -0.193 0.000 1.164 64 Y CB -0.018 38.198 38.460 -0.406 0.000 0.978 64 Y HN -0.012 nan 8.280 nan 0.000 0.513 65 R N -0.185 120.370 120.500 0.092 0.000 2.073 65 R HA -0.124 4.215 4.340 -0.000 0.000 0.229 65 R C 1.785 178.061 176.300 -0.041 0.000 1.120 65 R CA 1.386 57.506 56.100 0.034 0.000 0.967 65 R CB -0.327 30.012 30.300 0.065 0.000 0.862 65 R HN 0.346 nan 8.270 nan 0.000 0.436 66 D N 0.235 120.620 120.400 -0.025 0.000 2.123 66 D HA -0.132 4.508 4.640 -0.000 0.000 0.196 66 D C 1.897 178.169 176.300 -0.046 0.000 0.992 66 D CA 1.063 55.049 54.000 -0.024 0.000 0.833 66 D CB -0.132 40.668 40.800 0.001 0.000 0.954 66 D HN 0.006 nan 8.370 nan 0.000 0.455 67 V N 0.749 120.613 119.914 -0.084 0.000 2.453 67 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 67 V C 2.354 178.367 176.094 -0.134 0.000 1.048 67 V CA 0.861 63.094 62.300 -0.111 0.000 1.049 67 V CB -0.358 31.361 31.823 -0.173 0.000 0.672 67 V HN 0.141 nan 8.190 nan 0.000 0.457 68 L N 0.207 121.292 121.223 -0.230 0.000 2.093 68 L HA -0.115 4.224 4.340 -0.000 0.000 0.208 68 L C 2.360 179.167 176.870 -0.106 0.000 1.085 68 L CA 1.909 56.618 54.840 -0.218 0.000 0.755 68 L CB -0.729 41.136 42.059 -0.323 0.000 0.904 68 L HN 0.182 nan 8.230 nan 0.000 0.435 69 K N -0.332 120.023 120.400 -0.076 0.000 2.097 69 K HA -0.177 4.143 4.320 -0.000 0.000 0.206 69 K C 1.955 178.538 176.600 -0.028 0.000 1.049 69 K CA 1.796 58.059 56.287 -0.041 0.000 0.933 69 K CB -0.137 32.346 32.500 -0.027 0.000 0.717 69 K HN 0.514 nan 8.250 nan 0.000 0.442 70 E N 0.575 120.761 120.200 -0.023 0.000 2.106 70 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 70 E C 2.052 178.654 176.600 0.002 0.000 0.984 70 E CA 1.039 57.438 56.400 -0.003 0.000 0.806 70 E CB -0.040 29.667 29.700 0.012 0.000 0.750 70 E HN 0.242 nan 8.360 nan 0.000 0.458 71 M N 0.524 120.124 119.600 -0.001 0.000 2.117 71 M HA -0.166 4.314 4.480 -0.000 0.000 0.262 71 M C 2.083 178.367 176.300 -0.027 0.000 1.065 71 M CA 1.477 56.775 55.300 -0.003 0.000 1.114 71 M CB -0.067 32.533 32.600 0.000 0.000 1.361 71 M HN -0.079 nan 8.290 nan 0.000 0.408 72 K N 0.127 120.508 120.400 -0.033 0.000 2.148 72 K HA -0.030 4.290 4.320 -0.000 0.000 0.204 72 K C 2.088 178.677 176.600 -0.020 0.000 1.050 72 K CA 1.176 57.445 56.287 -0.030 0.000 0.942 72 K CB -0.188 32.293 32.500 -0.031 0.000 0.724 72 K HN 0.287 nan 8.250 nan 0.000 0.446 73 A N 2.022 124.832 122.820 -0.016 0.000 1.902 73 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 73 A C 1.881 179.457 177.584 -0.013 0.000 1.181 73 A CA 1.488 53.519 52.037 -0.011 0.000 0.623 73 A CB -0.250 18.746 19.000 -0.007 0.000 0.818 73 A HN 0.173 nan 8.150 nan 0.000 0.443 74 K N -0.357 120.032 120.400 -0.017 0.000 2.057 74 K HA -0.051 4.269 4.320 -0.000 0.000 0.207 74 K C 2.272 178.853 176.600 -0.032 0.000 1.049 74 K CA 1.091 57.362 56.287 -0.026 0.000 0.931 74 K CB -0.344 32.136 32.500 -0.034 0.000 0.714 74 K HN 0.430 nan 8.250 nan 0.000 0.440 75 A N 1.111 123.913 122.820 -0.030 0.000 2.024 75 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 75 A C 2.057 179.635 177.584 -0.010 0.000 1.164 75 A CA 1.673 53.697 52.037 -0.022 0.000 0.643 75 A CB -0.396 18.596 19.000 -0.014 0.000 0.806 75 A HN 0.166 nan 8.150 nan 0.000 0.451 76 S N -0.505 115.189 115.700 -0.010 0.000 2.515 76 S HA -0.068 4.402 4.470 -0.000 0.000 0.231 76 S C 1.829 176.425 174.600 -0.006 0.000 0.987 76 S CA 1.400 59.597 58.200 -0.004 0.000 0.936 76 S CB -0.367 62.831 63.200 -0.004 0.000 0.766 76 S HN 0.899 nan 8.310 nan 0.000 0.528 77 T N -0.977 113.569 114.554 -0.012 0.000 3.107 77 T HA 0.234 4.584 4.350 -0.000 0.000 0.249 77 T C 0.416 175.106 174.700 -0.017 0.000 1.096 77 T CA -0.165 61.927 62.100 -0.014 0.000 1.012 77 T CB -0.202 68.655 68.868 -0.017 0.000 0.977 77 T HN -0.002 nan 8.240 nan 0.000 0.527 78 V N 2.325 122.228 119.914 -0.018 0.000 2.498 78 V HA 0.389 4.509 4.120 -0.000 0.000 0.279 78 V C -0.002 176.086 176.094 -0.010 0.000 1.048 78 V CA -0.735 61.553 62.300 -0.021 0.000 0.967 78 V CB 1.076 32.882 31.823 -0.027 0.000 0.988 78 V HN 0.400 nan 8.190 nan 0.000 0.473 79 K N 3.521 123.914 120.400 -0.012 0.000 2.259 79 K HA 0.890 5.210 4.320 -0.000 0.000 0.252 79 K C -0.628 175.968 176.600 -0.007 0.000 0.936 79 K CA -0.554 55.730 56.287 -0.004 0.000 0.810 79 K CB 2.420 34.918 32.500 -0.002 0.000 1.143 79 K HN 0.765 nan 8.250 nan 0.000 0.427 80 A N 2.066 124.886 122.820 0.001 0.000 2.539 80 A HA 0.551 4.871 4.320 -0.000 0.000 0.296 80 A C -1.378 176.213 177.584 0.013 0.000 1.073 80 A CA -0.962 51.075 52.037 0.001 0.000 0.700 80 A CB 1.316 20.311 19.000 -0.009 0.000 1.296 80 A HN 0.813 nan 8.150 nan 0.000 0.405 81 K N 1.234 121.644 120.400 0.016 0.000 2.221 81 K HA 0.803 5.122 4.320 -0.000 0.000 0.243 81 K C -1.135 175.479 176.600 0.023 0.000 0.968 81 K CA -0.719 55.578 56.287 0.018 0.000 0.846 81 K CB 1.370 33.875 32.500 0.008 0.000 1.141 81 K HN 0.508 nan 8.250 nan 0.000 0.434 82 L N 2.687 123.922 121.223 0.019 0.000 2.416 82 L HA 0.174 4.514 4.340 -0.000 0.000 0.272 82 L C -0.018 176.819 176.870 -0.056 0.000 1.161 82 L CA -0.592 54.246 54.840 -0.003 0.000 0.845 82 L CB 0.386 42.443 42.059 -0.003 0.000 1.119 82 L HN 0.475 nan 8.230 nan 0.000 0.464 83 L N 2.646 123.815 121.223 -0.090 0.000 2.395 83 L HA 0.227 4.567 4.340 -0.000 0.000 0.269 83 L C 0.749 177.483 176.870 -0.228 0.000 1.133 83 L CA -0.319 54.436 54.840 -0.142 0.000 0.812 83 L CB 1.389 43.352 42.059 -0.159 0.000 1.125 83 L HN 0.722 nan 8.230 nan 0.000 0.452 84 S N 1.175 116.754 115.700 -0.202 0.000 2.614 84 S HA 0.155 4.625 4.470 -0.000 0.000 0.265 84 S C 1.207 175.637 174.600 -0.284 0.000 1.303 84 S CA -0.957 57.106 58.200 -0.229 0.000 1.000 84 S CB 1.525 64.635 63.200 -0.150 0.000 0.935 84 S HN 0.345 nan 8.310 nan 0.000 0.551 85 V N 1.742 121.453 119.914 -0.339 0.000 2.317 85 V HA -0.225 3.895 4.120 -0.000 0.000 0.251 85 V C 2.592 178.526 176.094 -0.266 0.000 1.065 85 V CA 2.515 64.591 62.300 -0.373 0.000 1.049 85 V CB -1.370 30.114 31.823 -0.566 0.000 0.651 85 V HN 0.889 nan 8.190 nan 0.000 0.450 86 E N -0.118 119.957 120.200 -0.208 0.000 2.072 86 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 86 E C 2.223 178.726 176.600 -0.162 0.000 0.985 86 E CA 1.309 57.612 56.400 -0.162 0.000 0.801 86 E CB -0.222 29.406 29.700 -0.120 0.000 0.750 86 E HN 0.679 nan 8.360 nan 0.000 0.452 87 E N 0.218 120.315 120.200 -0.173 0.000 2.072 87 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 87 E C 2.048 178.508 176.600 -0.233 0.000 0.985 87 E CA 0.942 57.229 56.400 -0.188 0.000 0.801 87 E CB -0.147 29.443 29.700 -0.184 0.000 0.750 87 E HN 0.278 nan 8.360 nan 0.000 0.452 88 A N 0.535 123.214 122.820 -0.235 0.000 1.940 88 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 88 A C 2.362 179.836 177.584 -0.184 0.000 1.176 88 A CA 1.243 53.143 52.037 -0.228 0.000 0.631 88 A CB -0.842 18.038 19.000 -0.200 0.000 0.814 88 A HN 0.375 nan 8.150 nan 0.000 0.446 89 C N -0.838 118.361 119.300 -0.168 0.000 2.446 89 C HA -0.037 4.423 4.460 -0.000 0.000 0.277 89 C C 2.663 177.577 174.990 -0.127 0.000 1.275 89 C CA 1.269 60.208 59.018 -0.131 0.000 1.727 89 C CB -0.968 26.692 27.740 -0.133 0.000 2.010 89 C HN 0.609 nan 8.230 nan 0.000 0.486 90 K N 0.365 120.679 120.400 -0.144 0.000 2.211 90 K HA 0.023 4.343 4.320 -0.000 0.000 0.203 90 K C 1.310 177.818 176.600 -0.153 0.000 1.050 90 K CA 0.914 57.120 56.287 -0.135 0.000 0.945 90 K CB -0.099 32.323 32.500 -0.130 0.000 0.732 90 K HN 0.506 nan 8.250 nan 0.000 0.451 91 L N 0.960 122.065 121.223 -0.198 0.000 2.628 91 L HA 0.060 4.400 4.340 -0.000 0.000 0.229 91 L C 0.108 176.883 176.870 -0.157 0.000 1.137 91 L CA -0.109 54.596 54.840 -0.224 0.000 0.909 91 L CB 0.237 42.044 42.059 -0.419 0.000 1.137 91 L HN -0.029 nan 8.230 nan 0.000 0.470 92 T N 1.690 116.169 114.554 -0.125 0.000 2.851 92 T HA 0.200 4.550 4.350 -0.000 0.000 0.298 92 T C -2.224 172.420 174.700 -0.093 0.000 0.977 92 T CA -0.975 61.073 62.100 -0.086 0.000 1.126 92 T CB 0.863 69.694 68.868 -0.062 0.000 0.916 92 T HN -0.086 nan 8.240 nan 0.000 0.529 93 P HA 0.132 nan 4.420 nan 0.000 0.268 93 P C -1.800 175.412 177.300 -0.146 0.000 1.205 93 P CA -1.328 61.704 63.100 -0.114 0.000 0.771 93 P CB 0.115 31.764 31.700 -0.084 0.000 0.858 94 P HA -0.166 nan 4.420 nan 0.000 0.216 94 P C 0.381 177.509 177.300 -0.286 0.000 1.153 94 P CA 1.792 64.678 63.100 -0.358 0.000 0.858 94 P CB -0.190 31.101 31.700 -0.683 0.000 0.789 95 H N -1.730 117.314 119.070 -0.042 0.000 2.469 95 H HA 0.256 4.812 4.556 -0.000 0.000 0.286 95 H C 0.630 175.924 175.328 -0.057 0.000 1.106 95 H CA -0.536 55.489 56.048 -0.038 0.000 1.055 95 H CB 0.017 29.759 29.762 -0.035 0.000 1.618 95 H HN 0.106 nan 8.280 nan 0.000 0.559 96 S N 0.621 116.328 115.700 0.012 0.000 2.632 96 S HA 0.528 4.997 4.470 -0.000 0.000 0.267 96 S C 0.770 175.340 174.600 -0.051 0.000 1.276 96 S CA -0.722 57.450 58.200 -0.046 0.000 0.998 96 S CB 1.396 64.558 63.200 -0.064 0.000 0.953 96 S HN 0.340 nan 8.310 nan 0.000 0.547 97 A N 2.722 125.473 122.820 -0.116 0.000 2.546 97 A HA 0.302 4.622 4.320 -0.000 0.000 0.243 97 A C 0.975 178.542 177.584 -0.028 0.000 1.063 97 A CA -0.548 51.444 52.037 -0.075 0.000 0.757 97 A CB -0.242 18.684 19.000 -0.123 0.000 0.991 97 A HN 0.905 nan 8.150 nan 0.000 0.503 98 K N 2.117 122.504 120.400 -0.020 0.000 2.336 98 K HA 0.141 4.461 4.320 -0.000 0.000 0.262 98 K C 0.241 176.777 176.600 -0.106 0.000 0.992 98 K CA 0.144 56.395 56.287 -0.061 0.000 0.927 98 K CB 0.265 32.740 32.500 -0.042 0.000 0.956 98 K HN 0.449 nan 8.250 nan 0.000 0.495 99 S N 0.378 115.909 115.700 -0.281 0.000 2.580 99 S HA 0.073 4.543 4.470 -0.000 0.000 0.274 99 S C 0.798 175.282 174.600 -0.194 0.000 1.329 99 S CA -0.521 57.492 58.200 -0.311 0.000 1.036 99 S CB 0.666 63.328 63.200 -0.898 0.000 0.919 99 S HN 0.627 nan 8.310 nan 0.000 0.515 100 K N 2.547 122.842 120.400 -0.174 0.000 2.442 100 K HA -0.043 4.277 4.320 -0.000 0.000 0.198 100 K C 0.015 176.328 176.600 -0.478 0.000 1.044 100 K CA 1.177 57.232 56.287 -0.386 0.000 0.948 100 K CB -0.167 31.947 32.500 -0.645 0.000 0.762 100 K HN 0.642 nan 8.250 nan 0.000 0.472 101 F N 0.038 120.004 119.950 0.027 0.000 2.730 101 F HA 0.245 4.772 4.527 -0.000 0.000 0.295 101 F C 1.105 177.023 175.800 0.196 0.000 1.143 101 F CA -0.190 57.906 58.000 0.161 0.000 1.367 101 F CB 0.692 39.918 39.000 0.376 0.000 0.970 101 F HN 0.049 nan 8.300 nan 0.000 0.514 102 G N 0.296 109.191 108.800 0.159 0.000 2.130 102 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.216 102 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.216 102 G C -0.322 174.726 174.900 0.247 0.000 0.999 102 G CA 0.037 45.240 45.100 0.170 0.000 0.686 102 G HN 0.540 nan 8.290 nan 0.000 0.515 103 Y N -2.169 118.205 120.300 0.123 0.000 2.625 103 Y HA 0.823 5.373 4.550 -0.000 0.000 0.338 103 Y C 0.448 176.392 175.900 0.074 0.000 1.123 103 Y CA -1.022 57.131 58.100 0.089 0.000 1.046 103 Y CB 0.791 39.306 38.460 0.093 0.000 1.299 103 Y HN 0.622 nan 8.280 nan 0.000 0.464 104 G N -0.266 108.631 108.800 0.162 0.000 3.211 104 G HA2 0.534 4.494 3.960 -0.000 0.000 0.262 104 G HA3 0.534 4.494 3.960 -0.000 0.000 0.262 104 G C 0.008 174.986 174.900 0.131 0.000 1.352 104 G CA -0.746 44.395 45.100 0.069 0.000 1.004 104 G HN 1.122 nan 8.290 nan 0.000 0.559 105 A N -0.666 122.194 122.820 0.066 0.000 1.968 105 A HA 0.108 4.428 4.320 -0.000 0.000 0.217 105 A C 2.153 179.756 177.584 0.033 0.000 1.169 105 A CA 1.408 53.472 52.037 0.045 0.000 0.638 105 A CB -0.247 18.755 19.000 0.003 0.000 0.812 105 A HN 0.433 nan 8.150 nan 0.000 0.446 106 K N 0.101 120.522 120.400 0.035 0.000 2.103 106 K HA -0.095 4.225 4.320 -0.000 0.000 0.204 106 K C 1.197 177.814 176.600 0.028 0.000 1.052 106 K CA 1.217 57.515 56.287 0.018 0.000 0.945 106 K CB -0.300 32.214 32.500 0.024 0.000 0.722 106 K HN 0.453 nan 8.250 nan 0.000 0.443 107 D N 1.042 121.482 120.400 0.067 0.000 2.104 107 D HA -0.132 4.507 4.640 -0.000 0.000 0.194 107 D C 2.110 178.427 176.300 0.028 0.000 0.994 107 D CA 0.900 54.939 54.000 0.066 0.000 0.830 107 D CB -0.276 40.608 40.800 0.140 0.000 0.959 107 D HN -0.100 nan 8.370 nan 0.000 0.452 108 V N 1.365 121.318 119.914 0.066 0.000 2.233 108 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 108 V C 2.532 178.604 176.094 -0.037 0.000 1.050 108 V CA 1.803 64.109 62.300 0.009 0.000 1.010 108 V CB -0.424 31.438 31.823 0.066 0.000 0.637 108 V HN 0.122 nan 8.190 nan 0.000 0.444 109 R N 0.592 121.073 120.500 -0.032 0.000 2.127 109 R HA -0.119 4.221 4.340 -0.000 0.000 0.238 109 R C 1.507 177.774 176.300 -0.055 0.000 1.134 109 R CA 1.509 57.576 56.100 -0.056 0.000 0.975 109 R CB -0.350 29.913 30.300 -0.061 0.000 0.865 109 R HN 0.532 nan 8.270 nan 0.000 0.447 110 N N 0.853 119.530 118.700 -0.040 0.000 2.313 110 N HA 0.103 4.843 4.740 -0.000 0.000 0.207 110 N C -0.233 175.250 175.510 -0.045 0.000 1.141 110 N CA 0.177 53.205 53.050 -0.038 0.000 0.830 110 N CB 0.406 38.880 38.487 -0.023 0.000 1.008 110 N HN 0.130 nan 8.380 nan 0.000 0.481 111 L N 0.695 121.881 121.223 -0.061 0.000 3.601 111 L HA -0.211 4.129 4.340 -0.000 0.000 0.469 111 L C 0.257 177.085 176.870 -0.069 0.000 1.294 111 L CA 0.025 54.819 54.840 -0.077 0.000 0.829 111 L CB -2.249 39.769 42.059 -0.070 0.000 1.628 111 L HN 0.145 nan 8.230 nan 0.000 0.868 112 S N -0.320 115.337 115.700 -0.071 0.000 2.549 112 S HA 0.329 4.799 4.470 -0.000 0.000 0.279 112 S C 1.527 176.075 174.600 -0.088 0.000 1.321 112 S CA -0.014 58.150 58.200 -0.060 0.000 1.054 112 S CB 1.734 64.911 63.200 -0.038 0.000 0.899 112 S HN 0.521 nan 8.310 nan 0.000 0.497 113 S N 4.550 120.216 115.700 -0.056 0.000 2.383 113 S HA -0.210 4.260 4.470 -0.000 0.000 0.229 113 S C 1.761 176.319 174.600 -0.071 0.000 1.030 113 S CA 1.331 59.500 58.200 -0.051 0.000 1.002 113 S CB -0.606 62.580 63.200 -0.022 0.000 0.829 113 S HN 0.863 nan 8.310 nan 0.000 0.467 114 K N 1.742 122.099 120.400 -0.072 0.000 2.009 114 K HA -0.113 4.207 4.320 -0.000 0.000 0.210 114 K C 2.413 178.842 176.600 -0.286 0.000 1.049 114 K CA 1.392 57.629 56.287 -0.083 0.000 0.929 114 K CB -0.717 31.783 32.500 -0.000 0.000 0.714 114 K HN 0.453 nan 8.250 nan 0.000 0.440 115 A N 0.610 123.130 122.820 -0.500 0.000 1.858 115 A HA -0.135 4.184 4.320 -0.000 0.000 0.216 115 A C 2.289 179.587 177.584 -0.477 0.000 1.190 115 A CA 1.872 53.340 52.037 -0.949 0.000 0.617 115 A CB -0.852 17.750 19.000 -0.663 0.000 0.827 115 A HN 0.190 nan 8.150 nan 0.000 0.443 116 V N 0.988 120.737 119.914 -0.276 0.000 2.332 116 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 116 V C 2.378 178.409 176.094 -0.105 0.000 1.055 116 V CA 2.260 64.437 62.300 -0.205 0.000 1.038 116 V CB -1.097 30.644 31.823 -0.137 0.000 0.651 116 V HN 0.550 nan 8.190 nan 0.000 0.450 117 N N -0.464 118.217 118.700 -0.032 0.000 2.069 117 N HA -0.201 4.539 4.740 -0.000 0.000 0.191 117 N C 1.848 177.410 175.510 0.088 0.000 1.031 117 N CA 1.992 55.074 53.050 0.054 0.000 0.852 117 N CB -0.547 37.952 38.487 0.021 0.000 1.018 117 N HN 0.736 nan 8.380 nan 0.000 0.423 118 H N -0.024 118.985 119.070 -0.101 0.000 2.357 118 H HA 0.059 4.615 4.556 -0.000 0.000 0.301 118 H C 2.062 177.364 175.328 -0.043 0.000 1.082 118 H CA 1.080 57.087 56.048 -0.068 0.000 1.342 118 H CB 0.055 29.804 29.762 -0.022 0.000 1.389 118 H HN 0.102 nan 8.280 nan 0.000 0.511 119 I N 0.211 120.782 120.570 0.001 0.000 2.226 119 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 119 I C 2.387 178.531 176.117 0.046 0.000 1.100 119 I CA 0.953 62.218 61.300 -0.058 0.000 1.374 119 I CB -0.390 37.510 38.000 -0.167 0.000 1.057 119 I HN 0.430 nan 8.210 nan 0.000 0.413 120 H N 0.621 119.720 119.070 0.048 0.000 2.352 120 H HA -0.158 4.397 4.556 -0.000 0.000 0.299 120 H C 2.646 178.063 175.328 0.149 0.000 1.097 120 H CA 1.970 58.070 56.048 0.087 0.000 1.311 120 H CB -0.396 29.387 29.762 0.034 0.000 1.377 120 H HN 0.412 nan 8.280 nan 0.000 0.504 121 S N 0.116 115.963 115.700 0.245 0.000 2.382 121 S HA -0.096 4.374 4.470 -0.000 0.000 0.228 121 S C 2.383 177.077 174.600 0.156 0.000 1.027 121 S CA 1.390 59.686 58.200 0.160 0.000 0.991 121 S CB -0.842 62.407 63.200 0.082 0.000 0.823 121 S HN 0.119 nan 8.310 nan 0.000 0.469 122 V N 0.829 120.860 119.914 0.194 0.000 2.358 122 V HA -0.111 4.009 4.120 -0.000 0.000 0.246 122 V C 2.229 178.413 176.094 0.150 0.000 1.047 122 V CA 1.699 64.076 62.300 0.129 0.000 1.035 122 V CB -1.158 30.704 31.823 0.065 0.000 0.658 122 V HN 0.703 nan 8.190 nan 0.000 0.452 123 W N 1.745 123.056 121.300 0.018 0.000 2.335 123 W HA -0.293 4.367 4.660 -0.000 0.000 0.311 123 W C 2.553 179.086 176.519 0.024 0.000 1.213 123 W CA 2.498 59.856 57.345 0.021 0.000 1.274 123 W CB -0.108 29.380 29.460 0.045 0.000 1.148 123 W HN 0.274 nan 8.180 nan 0.000 0.498 124 K N 0.661 121.125 120.400 0.106 0.000 2.097 124 K HA -0.270 4.050 4.320 -0.000 0.000 0.206 124 K C 1.745 178.286 176.600 -0.099 0.000 1.049 124 K CA 2.275 58.549 56.287 -0.022 0.000 0.933 124 K CB -0.659 31.881 32.500 0.066 0.000 0.717 124 K HN 0.057 nan 8.250 nan 0.000 0.442 125 D N 0.363 120.732 120.400 -0.052 0.000 2.117 125 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 125 D C 2.022 178.249 176.300 -0.122 0.000 0.987 125 D CA 1.134 55.095 54.000 -0.065 0.000 0.829 125 D CB 0.009 40.793 40.800 -0.026 0.000 0.961 125 D HN 0.235 nan 8.370 nan 0.000 0.460 126 L N 0.002 121.123 121.223 -0.171 0.000 2.043 126 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 126 L C 2.531 179.221 176.870 -0.299 0.000 1.075 126 L CA 0.862 55.559 54.840 -0.239 0.000 0.752 126 L CB -0.411 41.460 42.059 -0.314 0.000 0.891 126 L HN 0.269 nan 8.230 nan 0.000 0.432 127 L N -0.869 120.116 121.223 -0.397 0.000 2.093 127 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 127 L C 2.258 179.018 176.870 -0.185 0.000 1.085 127 L CA 1.241 55.882 54.840 -0.331 0.000 0.755 127 L CB -0.378 41.458 42.059 -0.373 0.000 0.904 127 L HN 0.294 nan 8.230 nan 0.000 0.435 128 E N -1.137 118.975 120.200 -0.145 0.000 2.442 128 E HA -0.049 4.301 4.350 -0.000 0.000 0.195 128 E C -0.013 176.543 176.600 -0.073 0.000 1.030 128 E CA 0.127 56.472 56.400 -0.091 0.000 0.869 128 E CB 0.365 30.024 29.700 -0.069 0.000 0.857 128 E HN 0.188 nan 8.360 nan 0.000 0.505 129 D N 0.292 120.642 120.400 -0.083 0.000 2.575 129 D HA 0.041 4.681 4.640 -0.000 0.000 0.250 129 D C -0.117 176.138 176.300 -0.075 0.000 1.279 129 D CA -0.324 53.638 54.000 -0.063 0.000 0.925 129 D CB 1.408 42.177 40.800 -0.050 0.000 1.261 129 D HN -0.069 nan 8.370 nan 0.000 0.567 130 T N 0.336 114.852 114.554 -0.063 0.000 3.214 130 T HA 0.281 4.631 4.350 -0.000 0.000 0.264 130 T C 0.893 175.565 174.700 -0.048 0.000 1.012 130 T CA -0.094 61.968 62.100 -0.065 0.000 0.901 130 T CB 0.158 68.990 68.868 -0.060 0.000 1.070 130 T HN 0.135 nan 8.240 nan 0.000 0.561 131 V N -0.838 119.052 119.914 -0.040 0.000 3.193 131 V HA 0.203 4.323 4.120 -0.000 0.000 0.237 131 V C 0.907 176.991 176.094 -0.016 0.000 1.447 131 V CA -0.030 62.255 62.300 -0.024 0.000 1.227 131 V CB 0.025 31.837 31.823 -0.019 0.000 1.040 131 V HN 0.393 nan 8.190 nan 0.000 0.458 132 T N 4.583 119.127 114.554 -0.017 0.000 2.793 132 T HA 0.203 4.553 4.350 -0.000 0.000 0.289 132 T C -2.412 172.287 174.700 -0.003 0.000 0.956 132 T CA -0.304 61.794 62.100 -0.003 0.000 1.177 132 T CB 0.740 69.606 68.868 -0.004 0.000 0.897 132 T HN 0.180 nan 8.240 nan 0.000 0.533 133 P HA 0.164 nan 4.420 nan 0.000 0.266 133 P C -0.257 177.036 177.300 -0.011 0.000 1.195 133 P CA -0.083 63.022 63.100 0.008 0.000 0.768 133 P CB 0.416 32.156 31.700 0.065 0.000 0.838 134 I N 2.031 122.579 120.570 -0.038 0.000 2.428 134 I HA 0.187 4.357 4.170 -0.000 0.000 0.296 134 I C 0.794 176.890 176.117 -0.035 0.000 0.985 134 I CA -0.635 60.649 61.300 -0.027 0.000 1.260 134 I CB 1.036 39.014 38.000 -0.037 0.000 1.389 134 I HN 0.298 nan 8.210 nan 0.000 0.484 135 D N 3.996 124.392 120.400 -0.008 0.000 2.443 135 D HA 0.167 4.807 4.640 -0.000 0.000 0.239 135 D C -0.388 175.881 176.300 -0.051 0.000 1.136 135 D CA 0.365 54.350 54.000 -0.024 0.000 0.879 135 D CB 0.782 41.591 40.800 0.014 0.000 1.195 135 D HN 0.613 nan 8.370 nan 0.000 0.443 136 T N -0.669 113.824 114.554 -0.101 0.000 2.906 136 T HA 0.583 4.933 4.350 -0.000 0.000 0.295 136 T C -0.173 174.376 174.700 -0.250 0.000 1.061 136 T CA -1.004 60.997 62.100 -0.165 0.000 1.000 136 T CB 1.498 70.283 68.868 -0.138 0.000 1.103 136 T HN 0.331 nan 8.240 nan 0.000 0.486 137 T N 0.878 115.134 114.554 -0.497 0.000 2.902 137 T HA 0.660 5.010 4.350 -0.000 0.000 0.283 137 T C -0.483 173.906 174.700 -0.517 0.000 1.009 137 T CA -0.979 60.821 62.100 -0.500 0.000 1.051 137 T CB 0.769 69.364 68.868 -0.454 0.000 0.999 137 T HN 0.796 nan 8.240 nan 0.000 0.474 138 I N 4.533 124.988 120.570 -0.193 0.000 2.404 138 I HA 0.559 4.729 4.170 -0.000 0.000 0.293 138 I C -1.024 175.120 176.117 0.046 0.000 0.992 138 I CA -0.989 60.297 61.300 -0.023 0.000 1.149 138 I CB 1.204 39.252 38.000 0.080 0.000 1.315 138 I HN 0.625 nan 8.210 nan 0.000 0.446 139 M N 6.499 126.181 119.600 0.135 0.000 2.501 139 M HA 0.489 4.969 4.480 -0.000 0.000 0.293 139 M C -0.578 175.797 176.300 0.125 0.000 1.192 139 M CA -0.618 54.771 55.300 0.150 0.000 0.886 139 M CB 1.737 34.480 32.600 0.238 0.000 1.710 139 M HN 0.597 nan 8.290 nan 0.000 0.457 140 A N 2.574 125.446 122.820 0.087 0.000 2.366 140 A HA 0.472 4.792 4.320 -0.000 0.000 0.272 140 A C 0.080 177.710 177.584 0.076 0.000 1.135 140 A CA -0.358 51.722 52.037 0.072 0.000 0.804 140 A CB 0.278 19.307 19.000 0.048 0.000 1.064 140 A HN 0.778 nan 8.150 nan 0.000 0.499 141 K N 1.458 121.904 120.400 0.077 0.000 2.202 141 K HA 0.118 4.438 4.320 -0.000 0.000 0.264 141 K C -0.529 176.087 176.600 0.028 0.000 1.010 141 K CA 0.081 56.400 56.287 0.054 0.000 0.940 141 K CB 0.468 33.003 32.500 0.058 0.000 0.983 141 K HN 0.791 nan 8.250 nan 0.000 0.475 142 N N 2.403 121.092 118.700 -0.017 0.000 2.699 142 N HA 0.098 4.837 4.740 -0.000 0.000 0.232 142 N C -1.382 174.016 175.510 -0.187 0.000 1.027 142 N CA -0.290 52.721 53.050 -0.066 0.000 0.920 142 N CB 0.937 39.398 38.487 -0.042 0.000 1.148 142 N HN 0.370 nan 8.380 nan 0.000 0.509 143 E N 0.663 120.712 120.200 -0.253 0.000 2.244 143 E HA 0.462 4.812 4.350 -0.000 0.000 0.266 143 E C -0.744 175.362 176.600 -0.823 0.000 0.914 143 E CA -1.032 55.057 56.400 -0.518 0.000 0.794 143 E CB 2.518 31.911 29.700 -0.511 0.000 1.210 143 E HN 0.041 nan 8.360 nan 0.000 0.414 144 V N 2.923 122.211 119.914 -1.044 0.000 2.427 144 V HA 0.452 4.572 4.120 -0.000 0.000 0.286 144 V C -0.693 174.734 176.094 -1.112 0.000 1.034 144 V CA -0.289 61.391 62.300 -1.034 0.000 0.893 144 V CB 0.143 31.384 31.823 -0.970 0.000 0.982 144 V HN 0.535 nan 8.190 nan 0.000 0.452 145 F N 2.239 121.797 119.950 -0.653 0.000 2.675 145 F HA 0.655 5.182 4.527 -0.000 0.000 0.324 145 F C 0.054 175.641 175.800 -0.355 0.000 1.106 145 F CA -0.711 56.977 58.000 -0.521 0.000 0.970 145 F CB 1.608 40.244 39.000 -0.606 0.000 1.385 145 F HN 0.526 nan 8.300 nan 0.000 0.489 146 C N 1.617 121.005 119.300 0.146 0.000 2.411 146 C HA 0.763 5.223 4.460 -0.000 0.000 0.330 146 C C -0.135 175.064 174.990 0.348 0.000 1.224 146 C CA -0.631 58.519 59.018 0.220 0.000 1.770 146 C CB 0.792 28.605 27.740 0.122 0.000 2.297 146 C HN 0.659 nan 8.230 nan 0.000 0.507 147 V N 6.519 126.658 119.914 0.375 0.000 2.872 147 V HA 0.230 4.350 4.120 -0.000 0.000 0.307 147 V C -0.145 176.024 176.094 0.125 0.000 1.072 147 V CA 0.679 63.127 62.300 0.247 0.000 1.148 147 V CB 1.187 33.084 31.823 0.122 0.000 0.954 147 V HN 0.895 nan 8.190 nan 0.000 0.490 148 Q N 7.186 127.027 119.800 0.069 0.000 2.282 148 Q HA 0.411 4.751 4.340 -0.000 0.000 0.260 148 Q C -1.861 174.146 176.000 0.010 0.000 0.964 148 Q CA -1.894 53.925 55.803 0.028 0.000 0.880 148 Q CB 1.671 30.414 28.738 0.008 0.000 1.286 148 Q HN 0.541 nan 8.270 nan 0.000 0.445 149 P HA -0.090 nan 4.420 nan 0.000 0.211 149 P C 0.953 178.250 177.300 -0.005 0.000 1.183 149 P CA 1.027 64.129 63.100 0.003 0.000 0.901 149 P CB 0.227 31.931 31.700 0.007 0.000 0.762 150 E N 1.016 121.213 120.200 -0.006 0.000 2.150 150 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 150 E C 0.980 177.572 176.600 -0.013 0.000 0.985 150 E CA 0.954 57.348 56.400 -0.009 0.000 0.814 150 E CB -0.592 29.102 29.700 -0.009 0.000 0.752 150 E HN 0.230 nan 8.360 nan 0.000 0.466 151 K N 0.094 120.485 120.400 -0.015 0.000 2.120 151 K HA 0.200 4.519 4.320 -0.000 0.000 0.245 151 K C 1.423 178.009 176.600 -0.022 0.000 1.024 151 K CA 0.449 56.723 56.287 -0.021 0.000 0.906 151 K CB 0.697 33.182 32.500 -0.025 0.000 1.051 151 K HN 0.066 nan 8.250 nan 0.000 0.491 152 G N 0.459 109.243 108.800 -0.027 0.000 2.507 152 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.221 152 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.221 152 G C 0.900 175.776 174.900 -0.039 0.000 1.119 152 G CA 1.548 46.629 45.100 -0.031 0.000 0.751 152 G HN 0.975 nan 8.290 nan 0.000 0.574 153 G N -0.793 107.983 108.800 -0.040 0.000 2.780 153 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.237 153 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.237 153 G C 0.275 175.135 174.900 -0.068 0.000 1.965 153 G CA 0.114 45.186 45.100 -0.046 0.000 1.577 153 G HN 0.592 nan 8.290 nan 0.000 0.543 154 R N 2.756 123.171 120.500 -0.140 0.000 2.205 154 R HA 0.466 4.806 4.340 -0.000 0.000 0.342 154 R C 0.815 177.061 176.300 -0.090 0.000 1.058 154 R CA -0.272 55.678 56.100 -0.250 0.000 0.904 154 R CB 0.508 30.579 30.300 -0.383 0.000 1.089 154 R HN 0.620 nan 8.270 nan 0.000 0.471 155 K N 4.296 124.701 120.400 0.009 0.000 2.326 155 K HA 0.282 4.602 4.320 -0.000 0.000 0.275 155 K C -2.331 174.298 176.600 0.048 0.000 1.018 155 K CA -1.656 54.613 56.287 -0.031 0.000 0.962 155 K CB 0.643 33.031 32.500 -0.186 0.000 0.953 155 K HN 0.237 nan 8.250 nan 0.000 0.475 156 P HA 0.001 nan 4.420 nan 0.000 0.272 156 P C -0.774 176.572 177.300 0.077 0.000 1.223 156 P CA -0.256 62.870 63.100 0.042 0.000 0.784 156 P CB 0.519 32.223 31.700 0.007 0.000 0.923 157 A N 3.134 126.010 122.820 0.094 0.000 2.540 157 A HA 0.040 4.360 4.320 -0.000 0.000 0.239 157 A C 0.566 178.203 177.584 0.089 0.000 1.061 157 A CA 0.013 52.117 52.037 0.112 0.000 0.758 157 A CB -0.321 18.732 19.000 0.088 0.000 0.991 157 A HN 0.430 nan 8.150 nan 0.000 0.502 158 R N 1.023 121.593 120.500 0.118 0.000 2.679 158 R HA 0.221 4.561 4.340 -0.000 0.000 0.268 158 R C -0.560 175.801 176.300 0.101 0.000 1.044 158 R CA 0.105 56.272 56.100 0.111 0.000 1.105 158 R CB 0.220 30.601 30.300 0.134 0.000 0.989 158 R HN 0.658 nan 8.270 nan 0.000 0.447 159 L N 4.850 126.137 121.223 0.106 0.000 2.307 159 L HA 0.519 4.859 4.340 -0.000 0.000 0.282 159 L C 0.407 177.371 176.870 0.157 0.000 1.051 159 L CA -0.665 54.244 54.840 0.115 0.000 0.804 159 L CB 1.110 43.226 42.059 0.096 0.000 1.197 159 L HN 0.532 nan 8.230 nan 0.000 0.431 160 I N 0.600 121.282 120.570 0.185 0.000 2.569 160 I HA 0.722 4.892 4.170 -0.000 0.000 0.296 160 I C -1.054 175.239 176.117 0.293 0.000 1.028 160 I CA -0.834 60.613 61.300 0.246 0.000 1.082 160 I CB 2.260 40.412 38.000 0.253 0.000 1.264 160 I HN 0.248 nan 8.210 nan 0.000 0.429 161 V N 6.735 126.826 119.914 0.296 0.000 2.569 161 V HA 0.584 4.703 4.120 -0.000 0.000 0.301 161 V C -0.842 175.401 176.094 0.249 0.000 1.044 161 V CA -0.343 62.058 62.300 0.168 0.000 0.874 161 V CB 1.558 33.465 31.823 0.138 0.000 1.002 161 V HN 0.741 nan 8.190 nan 0.000 0.424 162 F N 5.053 125.045 119.950 0.069 0.000 2.619 162 F HA 0.937 5.464 4.527 -0.000 0.000 0.308 162 F C -3.019 172.815 175.800 0.056 0.000 1.097 162 F CA -2.437 55.603 58.000 0.066 0.000 0.953 162 F CB 1.841 40.876 39.000 0.059 0.000 1.287 162 F HN 0.303 nan 8.300 nan 0.000 0.446 163 P HA 0.185 nan 4.420 nan 0.000 0.282 163 P C -1.043 176.382 177.300 0.208 0.000 1.287 163 P CA -0.145 63.022 63.100 0.110 0.000 0.792 163 P CB 1.181 32.942 31.700 0.102 0.000 1.163 164 D N -0.913 119.581 120.400 0.156 0.000 2.378 164 D HA -0.029 4.611 4.640 -0.000 0.000 0.238 164 D C 1.503 177.885 176.300 0.137 0.000 1.180 164 D CA -0.162 53.944 54.000 0.177 0.000 0.895 164 D CB 0.263 41.198 40.800 0.224 0.000 1.192 164 D HN 0.179 nan 8.370 nan 0.000 0.438 165 L N 2.503 123.779 121.223 0.088 0.000 2.043 165 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 165 L C 1.960 178.865 176.870 0.059 0.000 1.075 165 L CA 2.077 56.945 54.840 0.046 0.000 0.752 165 L CB -0.834 41.201 42.059 -0.041 0.000 0.891 165 L HN 0.722 nan 8.230 nan 0.000 0.432 166 G N -1.009 107.805 108.800 0.023 0.000 2.446 166 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 166 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 166 G C 1.546 176.435 174.900 -0.017 0.000 1.168 166 G CA 0.956 46.031 45.100 -0.042 0.000 0.771 166 G HN 0.322 nan 8.290 nan 0.000 0.551 167 V N 0.534 120.456 119.914 0.013 0.000 2.407 167 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 167 V C 2.901 179.044 176.094 0.081 0.000 1.055 167 V CA 1.920 64.251 62.300 0.051 0.000 1.049 167 V CB -0.450 31.406 31.823 0.055 0.000 0.662 167 V HN 0.314 nan 8.190 nan 0.000 0.455 168 R N -0.539 120.013 120.500 0.087 0.000 2.120 168 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 168 R C 2.175 178.519 176.300 0.073 0.000 1.123 168 R CA 1.255 57.413 56.100 0.097 0.000 0.975 168 R CB -0.340 30.013 30.300 0.089 0.000 0.866 168 R HN 0.433 nan 8.270 nan 0.000 0.446 169 V N -0.060 119.883 119.914 0.048 0.000 2.379 169 V HA -0.258 3.861 4.120 -0.000 0.000 0.245 169 V C 2.387 178.490 176.094 0.016 0.000 1.044 169 V CA 1.430 63.735 62.300 0.008 0.000 1.036 169 V CB -0.386 31.424 31.823 -0.022 0.000 0.664 169 V HN 0.441 nan 8.190 nan 0.000 0.453 170 C N 0.046 119.390 119.300 0.075 0.000 2.411 170 C HA -0.165 4.295 4.460 -0.000 0.000 0.279 170 C C 2.641 177.762 174.990 0.219 0.000 1.288 170 C CA 0.881 60.018 59.018 0.198 0.000 1.764 170 C CB -1.102 26.837 27.740 0.332 0.000 1.974 170 C HN 0.613 nan 8.230 nan 0.000 0.498 171 E N 0.721 121.019 120.200 0.163 0.000 2.077 171 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 171 E C 2.211 178.903 176.600 0.153 0.000 0.989 171 E CA 1.088 57.596 56.400 0.180 0.000 0.800 171 E CB -0.113 29.702 29.700 0.192 0.000 0.746 171 E HN 0.632 nan 8.360 nan 0.000 0.452 172 K N 0.191 120.656 120.400 0.109 0.000 2.057 172 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 172 K C 2.192 178.823 176.600 0.052 0.000 1.050 172 K CA 1.175 57.522 56.287 0.100 0.000 0.935 172 K CB -0.070 32.443 32.500 0.022 0.000 0.715 172 K HN 0.131 nan 8.250 nan 0.000 0.439 173 M N 0.179 119.763 119.600 -0.026 0.000 2.108 173 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 173 M C 2.385 178.683 176.300 -0.004 0.000 1.066 173 M CA 1.809 57.020 55.300 -0.148 0.000 1.107 173 M CB -0.343 31.979 32.600 -0.463 0.000 1.356 173 M HN 0.183 nan 8.290 nan 0.000 0.406 174 A N -0.562 122.366 122.820 0.179 0.000 1.975 174 A HA 0.098 4.418 4.320 -0.000 0.000 0.215 174 A C 1.861 179.515 177.584 0.118 0.000 1.170 174 A CA 1.054 53.240 52.037 0.249 0.000 0.656 174 A CB -0.106 19.087 19.000 0.321 0.000 0.821 174 A HN 0.492 nan 8.150 nan 0.000 0.449 175 L N -3.282 117.991 121.223 0.084 0.000 3.174 175 L HA 0.195 4.535 4.340 -0.000 0.000 0.283 175 L C 1.776 178.634 176.870 -0.020 0.000 1.187 175 L CA 0.028 54.858 54.840 -0.017 0.000 1.018 175 L CB 0.096 42.120 42.059 -0.059 0.000 1.433 175 L HN 0.457 nan 8.230 nan 0.000 0.593 176 Y N 1.457 121.723 120.300 -0.057 0.000 2.151 176 Y HA -0.348 4.202 4.550 -0.000 0.000 0.284 176 Y C 2.151 178.008 175.900 -0.071 0.000 1.166 176 Y CA 2.359 60.421 58.100 -0.064 0.000 1.163 176 Y CB 0.165 38.591 38.460 -0.057 0.000 0.974 176 Y HN 0.228 nan 8.280 nan 0.000 0.511 177 D N -1.000 119.443 120.400 0.071 0.000 2.224 177 D HA -0.118 4.522 4.640 -0.000 0.000 0.205 177 D C 2.027 178.268 176.300 -0.098 0.000 0.965 177 D CA 1.017 55.020 54.000 0.006 0.000 0.852 177 D CB -0.011 40.825 40.800 0.060 0.000 0.947 177 D HN 0.277 nan 8.370 nan 0.000 0.494 178 V N -0.341 119.501 119.914 -0.122 0.000 2.255 178 V HA -0.149 3.970 4.120 -0.000 0.000 0.243 178 V C 2.544 178.513 176.094 -0.208 0.000 1.038 178 V CA 1.036 63.240 62.300 -0.159 0.000 1.008 178 V CB -0.433 31.252 31.823 -0.230 0.000 0.645 178 V HN 0.074 nan 8.190 nan 0.000 0.449 179 V N 0.081 119.839 119.914 -0.261 0.000 2.688 179 V HA -0.203 3.917 4.120 -0.000 0.000 0.256 179 V C 2.382 178.315 176.094 -0.268 0.000 1.084 179 V CA 2.150 64.299 62.300 -0.252 0.000 1.103 179 V CB -0.382 31.294 31.823 -0.245 0.000 0.688 179 V HN 0.532 nan 8.190 nan 0.000 0.480 180 S N -1.384 114.114 115.700 -0.337 0.000 2.501 180 S HA -0.042 4.428 4.470 -0.000 0.000 0.220 180 S C 1.879 176.362 174.600 -0.195 0.000 0.997 180 S CA 1.180 59.196 58.200 -0.308 0.000 0.919 180 S CB 0.213 63.150 63.200 -0.438 0.000 0.778 180 S HN 0.682 nan 8.310 nan 0.000 0.523 181 T N 1.189 115.633 114.554 -0.183 0.000 3.058 181 T HA 0.281 4.631 4.350 -0.000 0.000 0.247 181 T C 1.579 176.173 174.700 -0.177 0.000 0.987 181 T CA -0.294 61.716 62.100 -0.149 0.000 1.062 181 T CB -0.150 68.656 68.868 -0.104 0.000 1.048 181 T HN 0.106 nan 8.240 nan 0.000 0.468 182 L N 2.068 123.190 121.223 -0.168 0.000 1.989 182 L HA -0.048 4.292 4.340 -0.000 0.000 0.211 182 L C -0.947 175.768 176.870 -0.259 0.000 1.071 182 L CA 2.251 56.999 54.840 -0.153 0.000 0.749 182 L CB -1.306 40.712 42.059 -0.068 0.000 0.890 182 L HN 0.134 nan 8.230 nan 0.000 0.431 183 P HA -0.231 nan 4.420 nan 0.000 0.215 183 P C 1.508 178.326 177.300 -0.802 0.000 1.157 183 P CA 1.524 64.204 63.100 -0.699 0.000 0.874 183 P CB -0.046 30.930 31.700 -1.207 0.000 0.790 184 Q N -0.652 118.702 119.800 -0.744 0.000 2.124 184 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 184 Q C 1.952 177.798 176.000 -0.256 0.000 0.977 184 Q CA 1.286 56.847 55.803 -0.403 0.000 0.850 184 Q CB -0.417 28.198 28.738 -0.205 0.000 0.901 184 Q HN 0.026 nan 8.270 nan 0.000 0.429 185 V N -0.675 119.103 119.914 -0.227 0.000 2.379 185 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 185 V C 2.107 178.108 176.094 -0.155 0.000 1.044 185 V CA 1.266 63.475 62.300 -0.151 0.000 1.036 185 V CB -0.128 31.627 31.823 -0.114 0.000 0.664 185 V HN 0.225 nan 8.190 nan 0.000 0.453 186 V N -0.640 119.153 119.914 -0.202 0.000 2.358 186 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 186 V C 2.059 177.989 176.094 -0.273 0.000 1.047 186 V CA 2.208 64.390 62.300 -0.197 0.000 1.035 186 V CB -0.428 31.271 31.823 -0.206 0.000 0.658 186 V HN 0.470 nan 8.190 nan 0.000 0.452 187 M N -1.416 117.950 119.600 -0.390 0.000 2.367 187 M HA 0.336 4.816 4.480 -0.000 0.000 0.256 187 M C 1.543 177.710 176.300 -0.222 0.000 1.091 187 M CA 0.723 55.710 55.300 -0.521 0.000 1.049 187 M CB 0.459 32.642 32.600 -0.695 0.000 1.406 187 M HN 0.465 nan 8.290 nan 0.000 0.498 188 G N 1.844 110.546 108.800 -0.163 0.000 2.672 188 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.324 188 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.324 188 G C 0.935 175.767 174.900 -0.112 0.000 1.286 188 G CA 1.230 46.270 45.100 -0.100 0.000 1.004 188 G HN 0.532 nan 8.290 nan 0.000 0.548 189 S N -0.640 115.005 115.700 -0.092 0.000 2.442 189 S HA -0.000 4.470 4.470 -0.000 0.000 0.236 189 S C 2.243 176.652 174.600 -0.318 0.000 1.007 189 S CA 2.051 60.121 58.200 -0.216 0.000 0.965 189 S CB -0.259 62.861 63.200 -0.135 0.000 0.773 189 S HN 1.028 nan 8.310 nan 0.000 0.504 190 S N 0.274 115.928 115.700 -0.077 0.000 2.481 190 S HA 0.054 4.523 4.470 -0.000 0.000 0.231 190 S C 0.326 174.906 174.600 -0.032 0.000 0.996 190 S CA 0.101 58.318 58.200 0.029 0.000 0.942 190 S CB -0.486 62.851 63.200 0.228 0.000 0.768 190 S HN 0.699 nan 8.310 nan 0.000 0.520 191 Y N 3.373 123.509 120.300 -0.273 0.000 2.640 191 Y HA 0.439 4.989 4.550 -0.000 0.000 0.355 191 Y C 1.279 176.938 175.900 -0.402 0.000 1.088 191 Y CA -1.563 56.352 58.100 -0.307 0.000 1.443 191 Y CB -0.305 37.977 38.460 -0.297 0.000 1.224 191 Y HN 0.062 nan 8.280 nan 0.000 0.516 192 G N 4.356 112.748 108.800 -0.680 0.000 2.448 192 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 192 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 192 G C 1.269 175.678 174.900 -0.819 0.000 1.127 192 G CA 0.314 45.036 45.100 -0.631 0.000 0.766 192 G HN 0.702 nan 8.290 nan 0.000 0.552 193 F N 1.224 120.606 119.950 -0.946 0.000 2.604 193 F HA -0.027 4.500 4.527 -0.000 0.000 0.298 193 F C 2.941 178.384 175.800 -0.595 0.000 1.131 193 F CA 1.043 58.623 58.000 -0.700 0.000 1.457 193 F CB 0.082 38.711 39.000 -0.618 0.000 1.095 193 F HN 0.296 nan 8.300 nan 0.000 0.574 194 Q N 0.108 119.537 119.800 -0.618 0.000 2.436 194 Q HA -0.121 4.219 4.340 -0.000 0.000 0.209 194 Q C -0.398 175.342 176.000 -0.433 0.000 0.965 194 Q CA 0.869 56.395 55.803 -0.462 0.000 0.910 194 Q CB -0.380 28.050 28.738 -0.513 0.000 0.980 194 Q HN 0.427 nan 8.270 nan 0.000 0.491 195 Y N 1.923 122.078 120.300 -0.243 0.000 2.342 195 Y HA 0.246 4.796 4.550 -0.000 0.000 0.334 195 Y C 0.722 176.465 175.900 -0.262 0.000 1.067 195 Y CA -1.027 56.941 58.100 -0.222 0.000 1.128 195 Y CB 1.447 39.783 38.460 -0.205 0.000 1.200 195 Y HN 0.106 nan 8.280 nan 0.000 0.464 196 S N 2.674 118.326 115.700 -0.080 0.000 2.608 196 S HA 0.149 4.619 4.470 -0.000 0.000 0.261 196 S C -1.997 172.524 174.600 -0.131 0.000 1.314 196 S CA -1.058 57.023 58.200 -0.198 0.000 0.992 196 S CB 1.133 64.216 63.200 -0.196 0.000 0.935 196 S HN 0.442 nan 8.310 nan 0.000 0.564 197 P HA -0.037 nan 4.420 nan 0.000 0.215 197 P C 1.754 178.982 177.300 -0.121 0.000 1.157 197 P CA 1.859 64.890 63.100 -0.114 0.000 0.874 197 P CB -0.574 31.045 31.700 -0.134 0.000 0.790 198 G N -0.515 108.170 108.800 -0.192 0.000 2.422 198 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 198 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 198 G C 1.498 176.335 174.900 -0.105 0.000 1.146 198 G CA 0.682 45.705 45.100 -0.128 0.000 0.769 198 G HN 0.337 nan 8.290 nan 0.000 0.547 199 Q N -0.550 119.181 119.800 -0.115 0.000 2.137 199 Q HA 0.052 4.392 4.340 -0.000 0.000 0.198 199 Q C 2.569 178.344 176.000 -0.375 0.000 0.960 199 Q CA 0.787 56.506 55.803 -0.140 0.000 0.847 199 Q CB -0.126 28.621 28.738 0.014 0.000 0.915 199 Q HN 0.485 nan 8.270 nan 0.000 0.448 200 R N 0.671 120.982 120.500 -0.315 0.000 2.083 200 R HA -0.158 4.182 4.340 -0.000 0.000 0.237 200 R C 2.075 178.251 176.300 -0.207 0.000 1.137 200 R CA 1.490 57.382 56.100 -0.346 0.000 0.951 200 R CB -0.301 29.937 30.300 -0.104 0.000 0.851 200 R HN 0.085 nan 8.270 nan 0.000 0.434 201 V N 1.559 121.392 119.914 -0.135 0.000 2.287 201 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 201 V C 2.437 178.451 176.094 -0.133 0.000 1.053 201 V CA 2.300 64.536 62.300 -0.107 0.000 1.027 201 V CB -0.675 31.124 31.823 -0.041 0.000 0.646 201 V HN 0.510 nan 8.190 nan 0.000 0.447 202 E N -0.645 119.486 120.200 -0.115 0.000 2.097 202 E HA -0.286 4.064 4.350 -0.000 0.000 0.196 202 E C 2.104 178.635 176.600 -0.114 0.000 1.000 202 E CA 1.849 58.188 56.400 -0.101 0.000 0.804 202 E CB -0.172 29.488 29.700 -0.068 0.000 0.740 202 E HN 0.577 nan 8.360 nan 0.000 0.454 203 F N 1.047 120.802 119.950 -0.326 0.000 2.113 203 F HA -0.115 4.412 4.527 -0.000 0.000 0.297 203 F C 2.015 177.694 175.800 -0.201 0.000 1.103 203 F CA 1.207 59.018 58.000 -0.315 0.000 1.248 203 F CB -0.349 38.304 39.000 -0.579 0.000 0.999 203 F HN -0.027 nan 8.300 nan 0.000 0.475 204 L N -0.693 120.355 121.223 -0.291 0.000 2.046 204 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 204 L C 2.340 179.057 176.870 -0.254 0.000 1.077 204 L CA 1.024 55.682 54.840 -0.304 0.000 0.747 204 L CB -0.758 41.191 42.059 -0.182 0.000 0.896 204 L HN 0.028 nan 8.230 nan 0.000 0.432 205 V N 0.032 119.788 119.914 -0.264 0.000 2.307 205 V HA -0.271 3.849 4.120 -0.000 0.000 0.245 205 V C 1.972 177.954 176.094 -0.187 0.000 1.045 205 V CA 2.208 64.335 62.300 -0.288 0.000 1.024 205 V CB -0.756 30.780 31.823 -0.479 0.000 0.651 205 V HN 0.507 nan 8.190 nan 0.000 0.449 206 N N -0.295 118.288 118.700 -0.196 0.000 2.120 206 N HA -0.162 4.577 4.740 -0.000 0.000 0.188 206 N C 1.827 177.231 175.510 -0.176 0.000 1.024 206 N CA 1.708 54.669 53.050 -0.149 0.000 0.852 206 N CB -0.254 38.165 38.487 -0.113 0.000 1.003 206 N HN 0.421 nan 8.380 nan 0.000 0.424 207 T N 0.495 114.865 114.554 -0.306 0.000 2.652 207 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 207 T C 1.336 175.943 174.700 -0.154 0.000 1.039 207 T CA 0.931 62.839 62.100 -0.320 0.000 1.153 207 T CB -0.410 68.108 68.868 -0.584 0.000 0.863 207 T HN 0.441 nan 8.240 nan 0.000 0.428 208 W N 2.175 123.307 121.300 -0.280 0.000 2.321 208 W HA -0.140 4.520 4.660 -0.000 0.000 0.306 208 W C 1.819 178.245 176.519 -0.156 0.000 1.217 208 W CA 1.372 58.593 57.345 -0.206 0.000 1.257 208 W CB -0.218 29.113 29.460 -0.214 0.000 1.145 208 W HN 0.274 nan 8.180 nan 0.000 0.509 209 K N 0.179 120.578 120.400 -0.002 0.000 2.365 209 K HA -0.100 4.219 4.320 -0.000 0.000 0.199 209 K C 2.101 178.635 176.600 -0.109 0.000 1.045 209 K CA 1.390 57.647 56.287 -0.050 0.000 0.962 209 K CB -0.172 32.322 32.500 -0.011 0.000 0.759 209 K HN 0.060 nan 8.250 nan 0.000 0.469 210 S N 0.435 116.058 115.700 -0.128 0.000 2.527 210 S HA 0.031 4.501 4.470 -0.000 0.000 0.222 210 S C 0.449 174.964 174.600 -0.143 0.000 0.985 210 S CA 0.148 58.278 58.200 -0.116 0.000 0.921 210 S CB 0.064 63.202 63.200 -0.104 0.000 0.772 210 S HN -0.048 nan 8.310 nan 0.000 0.529 211 K N 2.055 122.325 120.400 -0.216 0.000 2.201 211 K HA 0.324 4.644 4.320 -0.000 0.000 0.278 211 K C 0.680 177.156 176.600 -0.207 0.000 1.027 211 K CA -0.434 55.718 56.287 -0.226 0.000 0.909 211 K CB 1.441 33.751 32.500 -0.317 0.000 1.062 211 K HN 0.108 nan 8.250 nan 0.000 0.465 212 K N 1.977 122.291 120.400 -0.143 0.000 2.020 212 K HA -0.125 4.195 4.320 -0.000 0.000 0.212 212 K C -0.124 176.400 176.600 -0.127 0.000 1.050 212 K CA 1.347 57.567 56.287 -0.112 0.000 0.929 212 K CB 0.226 32.679 32.500 -0.077 0.000 0.714 212 K HN 0.489 nan 8.250 nan 0.000 0.443 213 N N 1.530 120.147 118.700 -0.139 0.000 2.682 213 N HA 0.237 4.976 4.740 -0.000 0.000 0.252 213 N C -2.778 172.606 175.510 -0.210 0.000 1.081 213 N CA -1.173 51.794 53.050 -0.137 0.000 0.844 213 N CB 1.882 40.326 38.487 -0.072 0.000 1.167 213 N HN 0.156 nan 8.380 nan 0.000 0.523 214 P HA 0.142 nan 4.420 nan 0.000 0.275 214 P C -0.379 176.631 177.300 -0.483 0.000 1.227 214 P CA -0.276 62.375 63.100 -0.748 0.000 0.781 214 P CB 1.262 31.879 31.700 -1.804 0.000 0.906 215 M N 2.515 121.911 119.600 -0.339 0.000 2.393 215 M HA 0.618 5.098 4.480 -0.000 0.000 0.299 215 M C -1.050 175.218 176.300 -0.054 0.000 1.103 215 M CA -0.293 54.907 55.300 -0.167 0.000 0.910 215 M CB 2.375 34.935 32.600 -0.068 0.000 1.659 215 M HN 0.553 nan 8.290 nan 0.000 0.445 216 G N 3.913 112.782 108.800 0.115 0.000 2.574 216 G HA2 0.845 4.805 3.960 -0.000 0.000 0.299 216 G HA3 0.845 4.805 3.960 -0.000 0.000 0.299 216 G C -1.879 173.079 174.900 0.098 0.000 1.298 216 G CA -0.629 44.528 45.100 0.096 0.000 0.952 216 G HN 0.780 nan 8.290 nan 0.000 0.477 217 F N -0.473 119.433 119.950 -0.073 0.000 2.645 217 F HA 0.806 5.333 4.527 -0.000 0.000 0.310 217 F C -0.150 175.622 175.800 -0.047 0.000 1.102 217 F CA -1.409 56.544 58.000 -0.080 0.000 0.952 217 F CB 1.492 40.425 39.000 -0.111 0.000 1.326 217 F HN 0.617 nan 8.300 nan 0.000 0.456 218 S N 0.937 116.741 115.700 0.174 0.000 2.608 218 S HA 0.728 5.198 4.470 -0.000 0.000 0.291 218 S C -1.622 173.183 174.600 0.342 0.000 1.146 218 S CA -0.620 57.662 58.200 0.137 0.000 1.043 218 S CB 1.899 65.142 63.200 0.072 0.000 1.037 218 S HN 0.861 nan 8.310 nan 0.000 0.520 219 Y N 0.412 120.808 120.300 0.159 0.000 2.492 219 Y HA 0.578 5.128 4.550 -0.000 0.000 0.346 219 Y C -1.356 174.639 175.900 0.159 0.000 0.997 219 Y CA -0.578 57.654 58.100 0.221 0.000 1.025 219 Y CB 1.982 40.656 38.460 0.356 0.000 1.263 219 Y HN 0.899 nan 8.280 nan 0.000 0.454 220 D N 3.171 123.478 120.400 -0.156 0.000 2.990 220 D HA 0.220 4.860 4.640 -0.000 0.000 0.227 220 D C -1.432 174.790 176.300 -0.131 0.000 1.249 220 D CA -0.263 53.718 54.000 -0.031 0.000 0.891 220 D CB 2.405 43.203 40.800 -0.003 0.000 1.647 220 D HN 0.559 nan 8.370 nan 0.000 0.530 221 T N 2.609 117.238 114.554 0.125 0.000 2.856 221 T HA 0.214 4.564 4.350 -0.000 0.000 0.292 221 T C 0.558 175.367 174.700 0.181 0.000 0.980 221 T CA -0.401 61.838 62.100 0.232 0.000 1.091 221 T CB 0.986 70.215 68.868 0.601 0.000 0.936 221 T HN 0.227 nan 8.240 nan 0.000 0.503 222 R N 2.078 122.641 120.500 0.105 0.000 2.458 222 R HA 0.087 4.427 4.340 -0.000 0.000 0.303 222 R C -0.087 176.323 176.300 0.184 0.000 1.013 222 R CA -0.104 56.050 56.100 0.091 0.000 1.026 222 R CB -0.584 29.717 30.300 0.002 0.000 0.948 222 R HN 0.937 nan 8.270 nan 0.000 0.417 223 C N 5.504 124.937 119.300 0.223 0.000 3.899 223 C HA -0.171 4.289 4.460 -0.000 0.000 0.297 223 C C 1.384 176.573 174.990 0.331 0.000 1.371 223 C CA 0.308 59.507 59.018 0.302 0.000 2.088 223 C CB -2.999 24.991 27.740 0.417 0.000 1.346 223 C HN 1.027 nan 8.230 nan 0.000 0.658 224 F N 1.871 121.944 119.950 0.204 0.000 2.087 224 F HA -0.209 4.318 4.527 -0.000 0.000 0.299 224 F C 1.918 177.835 175.800 0.195 0.000 1.100 224 F CA 2.478 60.599 58.000 0.201 0.000 1.226 224 F CB -0.020 39.088 39.000 0.180 0.000 0.983 224 F HN 0.426 nan 8.300 nan 0.000 0.479 225 D N -0.412 120.158 120.400 0.284 0.000 2.117 225 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 225 D C 2.482 178.808 176.300 0.044 0.000 0.987 225 D CA 1.653 55.764 54.000 0.184 0.000 0.829 225 D CB -0.473 40.473 40.800 0.243 0.000 0.961 225 D HN 0.266 nan 8.370 nan 0.000 0.460 226 S N -0.358 115.400 115.700 0.097 0.000 2.399 226 S HA -0.136 4.334 4.470 -0.000 0.000 0.231 226 S C 2.067 176.613 174.600 -0.089 0.000 1.022 226 S CA 1.554 59.727 58.200 -0.045 0.000 0.983 226 S CB -0.439 62.723 63.200 -0.063 0.000 0.803 226 S HN 0.530 nan 8.310 nan 0.000 0.480 227 T N -0.117 114.467 114.554 0.050 0.000 3.072 227 T HA 0.087 4.436 4.350 -0.000 0.000 0.266 227 T C 0.607 175.226 174.700 -0.135 0.000 1.127 227 T CA 0.119 62.249 62.100 0.050 0.000 1.107 227 T CB -0.488 68.386 68.868 0.010 0.000 0.910 227 T HN 0.061 nan 8.240 nan 0.000 0.513 228 V N 3.747 123.519 119.914 -0.236 0.000 2.470 228 V HA 0.358 4.478 4.120 -0.000 0.000 0.276 228 V C 1.077 177.107 176.094 -0.106 0.000 1.040 228 V CA -0.331 61.854 62.300 -0.191 0.000 1.008 228 V CB 0.450 32.180 31.823 -0.155 0.000 0.990 228 V HN 0.719 nan 8.190 nan 0.000 0.477 229 T N 1.023 115.537 114.554 -0.066 0.000 2.923 229 T HA 0.374 4.724 4.350 -0.000 0.000 0.281 229 T C 0.967 175.648 174.700 -0.032 0.000 0.995 229 T CA -0.671 61.398 62.100 -0.052 0.000 0.985 229 T CB 1.362 70.209 68.868 -0.035 0.000 1.114 229 T HN 0.619 nan 8.240 nan 0.000 0.548 230 E N 0.359 120.542 120.200 -0.029 0.000 2.118 230 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 230 E C 1.994 178.594 176.600 -0.000 0.000 0.992 230 E CA 1.538 57.933 56.400 -0.009 0.000 0.804 230 E CB -0.266 29.428 29.700 -0.009 0.000 0.741 230 E HN 0.785 nan 8.360 nan 0.000 0.458 231 N N 1.223 119.918 118.700 -0.008 0.000 2.025 231 N HA -0.205 4.535 4.740 -0.000 0.000 0.194 231 N C 1.450 176.971 175.510 0.019 0.000 1.044 231 N CA 2.031 55.080 53.050 -0.003 0.000 0.851 231 N CB -0.044 38.427 38.487 -0.026 0.000 1.036 231 N HN -0.029 nan 8.380 nan 0.000 0.422 232 D N 0.021 120.435 120.400 0.022 0.000 2.149 232 D HA -0.168 4.472 4.640 -0.000 0.000 0.194 232 D C 1.946 178.264 176.300 0.031 0.000 1.001 232 D CA 1.215 55.245 54.000 0.048 0.000 0.849 232 D CB -0.330 40.492 40.800 0.036 0.000 0.939 232 D HN 0.485 nan 8.370 nan 0.000 0.449 233 I N 0.267 120.852 120.570 0.025 0.000 2.500 233 I HA -0.120 4.050 4.170 -0.000 0.000 0.252 233 I C 2.411 178.544 176.117 0.028 0.000 1.142 233 I CA 0.619 61.940 61.300 0.035 0.000 1.451 233 I CB 0.015 38.054 38.000 0.065 0.000 1.093 233 I HN -0.122 nan 8.210 nan 0.000 0.430 234 R N -0.087 120.427 120.500 0.022 0.000 2.115 234 R HA -0.058 4.282 4.340 -0.000 0.000 0.226 234 R C 2.304 178.595 176.300 -0.015 0.000 1.100 234 R CA 0.903 57.011 56.100 0.014 0.000 0.980 234 R CB -0.304 30.005 30.300 0.015 0.000 0.875 234 R HN 0.196 nan 8.270 nan 0.000 0.445 235 V N 1.295 121.202 119.914 -0.011 0.000 2.358 235 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 235 V C 1.946 177.967 176.094 -0.122 0.000 1.047 235 V CA 1.743 64.028 62.300 -0.026 0.000 1.035 235 V CB -0.322 31.526 31.823 0.043 0.000 0.658 235 V HN 0.325 nan 8.190 nan 0.000 0.452 236 E N -0.376 119.724 120.200 -0.167 0.000 2.038 236 E HA -0.262 4.087 4.350 -0.000 0.000 0.195 236 E C 2.393 178.570 176.600 -0.706 0.000 1.000 236 E CA 1.392 57.545 56.400 -0.412 0.000 0.803 236 E CB -0.208 29.307 29.700 -0.308 0.000 0.750 236 E HN 0.496 nan 8.360 nan 0.000 0.448 237 E N 0.571 120.574 120.200 -0.329 0.000 2.097 237 E HA -0.222 4.127 4.350 -0.000 0.000 0.196 237 E C 2.130 178.673 176.600 -0.094 0.000 1.000 237 E CA 1.658 57.992 56.400 -0.109 0.000 0.804 237 E CB -0.074 29.662 29.700 0.060 0.000 0.740 237 E HN 0.245 nan 8.360 nan 0.000 0.454 238 S N -0.237 115.400 115.700 -0.105 0.000 2.423 238 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 238 S C 2.151 176.706 174.600 -0.075 0.000 1.014 238 S CA 0.790 58.956 58.200 -0.057 0.000 0.965 238 S CB -0.395 62.780 63.200 -0.041 0.000 0.785 238 S HN 0.249 nan 8.310 nan 0.000 0.495 239 I N 0.358 120.828 120.570 -0.167 0.000 2.286 239 I HA -0.077 4.093 4.170 -0.000 0.000 0.245 239 I C 2.275 178.378 176.117 -0.023 0.000 1.104 239 I CA 1.211 62.433 61.300 -0.130 0.000 1.397 239 I CB -0.377 37.510 38.000 -0.188 0.000 1.072 239 I HN 0.290 nan 8.210 nan 0.000 0.417 240 Y N 0.248 120.549 120.300 0.002 0.000 2.181 240 Y HA -0.251 4.298 4.550 -0.000 0.000 0.288 240 Y C 2.583 178.489 175.900 0.010 0.000 1.146 240 Y CA 0.233 58.337 58.100 0.005 0.000 1.164 240 Y CB -0.262 38.214 38.460 0.027 0.000 0.982 240 Y HN 0.178 nan 8.280 nan 0.000 0.515 241 Q N -0.613 119.274 119.800 0.146 0.000 2.369 241 Q HA -0.126 4.213 4.340 -0.000 0.000 0.206 241 Q C 2.275 178.307 176.000 0.054 0.000 0.963 241 Q CA 0.785 56.642 55.803 0.089 0.000 0.894 241 Q CB -0.577 28.200 28.738 0.064 0.000 0.965 241 Q HN 0.565 nan 8.270 nan 0.000 0.475 242 C N 0.289 119.614 119.300 0.041 0.000 2.419 242 C HA -0.061 4.399 4.460 -0.000 0.000 0.281 242 C C 1.690 176.696 174.990 0.027 0.000 1.336 242 C CA -0.678 58.353 59.018 0.023 0.000 1.770 242 C CB -0.807 26.938 27.740 0.008 0.000 1.929 242 C HN 0.409 nan 8.230 nan 0.000 0.509 243 C N 1.822 121.148 119.300 0.044 0.000 2.727 243 C HA 0.107 4.567 4.460 -0.000 0.000 0.401 243 C C 0.592 175.600 174.990 0.029 0.000 1.294 243 C CA -0.042 58.997 59.018 0.034 0.000 2.134 243 C CB -0.302 27.465 27.740 0.046 0.000 2.724 243 C HN 0.505 nan 8.230 nan 0.000 0.677 244 D N 1.714 122.126 120.400 0.020 0.000 2.374 244 D HA 0.484 5.124 4.640 -0.000 0.000 0.240 244 D C -0.547 175.767 176.300 0.024 0.000 1.229 244 D CA 0.274 54.286 54.000 0.019 0.000 0.895 244 D CB -0.101 40.706 40.800 0.011 0.000 1.046 244 D HN 0.374 nan 8.370 nan 0.000 0.498 245 L N 1.721 122.963 121.223 0.032 0.000 2.309 245 L HA 0.737 5.077 4.340 -0.000 0.000 0.261 245 L C 0.387 177.283 176.870 0.042 0.000 1.021 245 L CA -1.607 53.257 54.840 0.039 0.000 0.823 245 L CB 1.622 43.712 42.059 0.051 0.000 1.366 245 L HN 0.262 nan 8.230 nan 0.000 0.423 246 A N 0.940 123.791 122.820 0.052 0.000 2.425 246 A HA 0.425 4.745 4.320 -0.000 0.000 0.249 246 A C -1.831 175.791 177.584 0.064 0.000 1.084 246 A CA -1.033 51.038 52.037 0.057 0.000 0.781 246 A CB 0.015 19.056 19.000 0.068 0.000 1.019 246 A HN 0.616 nan 8.150 nan 0.000 0.490 247 P HA -0.208 nan 4.420 nan 0.000 0.216 247 P C 1.237 178.567 177.300 0.050 0.000 1.157 247 P CA 1.741 64.867 63.100 0.044 0.000 0.880 247 P CB 0.217 31.939 31.700 0.035 0.000 0.791 248 E N -1.003 119.248 120.200 0.084 0.000 2.153 248 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 248 E C 1.974 178.657 176.600 0.139 0.000 0.988 248 E CA 0.942 57.409 56.400 0.111 0.000 0.811 248 E CB -0.388 29.450 29.700 0.231 0.000 0.746 248 E HN 0.092 nan 8.360 nan 0.000 0.466 249 A N 1.224 124.146 122.820 0.171 0.000 1.898 249 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 249 A C 2.043 179.685 177.584 0.096 0.000 1.181 249 A CA 1.191 53.333 52.037 0.175 0.000 0.620 249 A CB -0.361 18.723 19.000 0.141 0.000 0.819 249 A HN 0.131 nan 8.150 nan 0.000 0.442 250 R N -0.956 119.584 120.500 0.067 0.000 2.091 250 R HA -0.213 4.127 4.340 -0.000 0.000 0.238 250 R C 2.481 178.793 176.300 0.019 0.000 1.136 250 R CA 1.789 57.919 56.100 0.049 0.000 0.959 250 R CB -0.345 29.979 30.300 0.039 0.000 0.856 250 R HN 0.665 nan 8.270 nan 0.000 0.437 251 Q N 0.767 120.558 119.800 -0.016 0.000 2.046 251 Q HA -0.079 4.261 4.340 -0.000 0.000 0.200 251 Q C 1.970 177.901 176.000 -0.116 0.000 0.975 251 Q CA 2.000 57.763 55.803 -0.067 0.000 0.836 251 Q CB -0.231 28.450 28.738 -0.095 0.000 0.896 251 Q HN 0.335 nan 8.270 nan 0.000 0.428 252 A N 0.020 122.742 122.820 -0.164 0.000 1.930 252 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 252 A C 2.119 179.661 177.584 -0.069 0.000 1.175 252 A CA 1.369 53.274 52.037 -0.219 0.000 0.627 252 A CB -0.667 18.117 19.000 -0.359 0.000 0.815 252 A HN 0.482 nan 8.150 nan 0.000 0.443 253 I N -0.288 120.293 120.570 0.019 0.000 2.202 253 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 253 I C 2.542 178.707 176.117 0.080 0.000 1.091 253 I CA 1.848 63.203 61.300 0.092 0.000 1.368 253 I CB -0.219 37.864 38.000 0.139 0.000 1.058 253 I HN 0.415 nan 8.210 nan 0.000 0.410 254 K N 0.608 121.034 120.400 0.043 0.000 2.032 254 K HA -0.240 4.080 4.320 -0.000 0.000 0.209 254 K C 2.324 178.912 176.600 -0.021 0.000 1.048 254 K CA 2.087 58.389 56.287 0.025 0.000 0.927 254 K CB -0.202 32.303 32.500 0.007 0.000 0.712 254 K HN 0.159 nan 8.250 nan 0.000 0.441 255 S N 0.732 116.394 115.700 -0.064 0.000 2.348 255 S HA -0.094 4.376 4.470 -0.000 0.000 0.221 255 S C 2.044 176.559 174.600 -0.142 0.000 1.033 255 S CA 1.185 59.324 58.200 -0.102 0.000 1.010 255 S CB -0.315 62.801 63.200 -0.140 0.000 0.891 255 S HN 0.392 nan 8.310 nan 0.000 0.442 256 L N 1.023 122.133 121.223 -0.189 0.000 2.042 256 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 256 L C 3.016 179.594 176.870 -0.487 0.000 1.076 256 L CA 1.863 56.468 54.840 -0.393 0.000 0.749 256 L CB -1.014 40.761 42.059 -0.474 0.000 0.893 256 L HN 0.531 nan 8.230 nan 0.000 0.432 257 T N -2.652 111.798 114.554 -0.172 0.000 2.951 257 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 257 T C 1.732 176.432 174.700 0.000 0.000 1.073 257 T CA 0.907 63.025 62.100 0.029 0.000 1.134 257 T CB -0.025 68.991 68.868 0.247 0.000 0.884 257 T HN 0.226 nan 8.240 nan 0.000 0.479 258 E N 1.073 121.251 120.200 -0.037 0.000 2.122 258 E HA 0.086 4.436 4.350 -0.000 0.000 0.190 258 E C 2.474 179.051 176.600 -0.038 0.000 0.977 258 E CA 0.709 57.095 56.400 -0.023 0.000 0.820 258 E CB -0.073 29.612 29.700 -0.026 0.000 0.770 258 E HN 0.594 nan 8.360 nan 0.000 0.462 259 R N -0.380 120.070 120.500 -0.084 0.000 2.223 259 R HA 0.221 4.561 4.340 -0.000 0.000 0.198 259 R C 2.081 178.320 176.300 -0.102 0.000 0.984 259 R CA 0.321 56.372 56.100 -0.081 0.000 1.018 259 R CB 0.586 30.830 30.300 -0.093 0.000 0.945 259 R HN 0.090 nan 8.270 nan 0.000 0.479 260 L N -2.057 119.070 121.223 -0.159 0.000 2.678 260 L HA 0.147 4.487 4.340 -0.000 0.000 0.187 260 L C 1.204 178.068 176.870 -0.011 0.000 1.073 260 L CA 0.174 54.924 54.840 -0.151 0.000 0.883 260 L CB 0.108 41.978 42.059 -0.314 0.000 1.501 260 L HN 0.015 nan 8.230 nan 0.000 0.488 261 Y N 0.061 120.370 120.300 0.016 0.000 2.263 261 Y HA -0.129 4.421 4.550 -0.000 0.000 0.292 261 Y C 2.335 178.236 175.900 0.001 0.000 1.130 261 Y CA 0.779 58.895 58.100 0.027 0.000 1.179 261 Y CB -0.421 38.078 38.460 0.065 0.000 0.998 261 Y HN 0.129 nan 8.280 nan 0.000 0.532 262 I N -0.972 119.683 120.570 0.141 0.000 2.394 262 I HA 0.060 4.230 4.170 -0.000 0.000 0.251 262 I C 1.246 177.371 176.117 0.013 0.000 1.136 262 I CA 1.441 62.783 61.300 0.069 0.000 1.425 262 I CB -0.404 37.628 38.000 0.053 0.000 1.079 262 I HN 0.215 nan 8.210 nan 0.000 0.425 263 G N -1.985 106.804 108.800 -0.018 0.000 2.324 263 G HA2 0.504 4.464 3.960 -0.000 0.000 0.293 263 G HA3 0.504 4.464 3.960 -0.000 0.000 0.293 263 G C -0.693 174.075 174.900 -0.220 0.000 1.297 263 G CA -0.211 44.822 45.100 -0.112 0.000 0.853 263 G HN 0.597 nan 8.290 nan 0.000 0.535 264 G N -1.034 107.390 108.800 -0.627 0.000 2.356 264 G HA2 0.652 4.612 3.960 -0.000 0.000 0.300 264 G HA3 0.652 4.612 3.960 -0.000 0.000 0.300 264 G C -3.486 170.699 174.900 -1.192 0.000 1.331 264 G CA 0.211 44.844 45.100 -0.779 0.000 0.905 264 G HN 0.871 nan 8.290 nan 0.000 0.587 265 P HA 0.563 nan 4.420 nan 0.000 0.276 265 P C -0.627 176.531 177.300 -0.236 0.000 1.244 265 P CA -0.328 62.548 63.100 -0.374 0.000 0.801 265 P CB 1.328 32.984 31.700 -0.073 0.000 1.006 266 L N 1.342 122.476 121.223 -0.147 0.000 2.333 266 L HA 0.522 4.862 4.340 -0.000 0.000 0.280 266 L C 0.693 177.544 176.870 -0.032 0.000 1.004 266 L CA -0.390 54.399 54.840 -0.085 0.000 0.820 266 L CB 2.006 44.040 42.059 -0.042 0.000 1.247 266 L HN 0.389 nan 8.230 nan 0.000 0.416 267 T N 0.272 114.796 114.554 -0.050 0.000 2.848 267 T HA 0.398 4.748 4.350 -0.000 0.000 0.285 267 T C 0.111 174.791 174.700 -0.034 0.000 0.995 267 T CA -0.781 61.303 62.100 -0.027 0.000 0.970 267 T CB 1.164 70.014 68.868 -0.029 0.000 0.976 267 T HN 0.439 nan 8.240 nan 0.000 0.441 268 N N 1.928 120.630 118.700 0.003 0.000 2.174 268 N HA -0.074 4.666 4.740 -0.000 0.000 0.229 268 N C 1.576 177.081 175.510 -0.009 0.000 1.259 268 N CA 0.881 53.934 53.050 0.006 0.000 0.859 268 N CB 0.478 38.977 38.487 0.019 0.000 1.086 268 N HN 0.859 nan 8.380 nan 0.000 0.446 269 S N 0.096 115.800 115.700 0.007 0.000 2.496 269 S HA 0.043 4.513 4.470 -0.000 0.000 0.224 269 S C 1.143 175.747 174.600 0.007 0.000 0.996 269 S CA 0.595 58.803 58.200 0.013 0.000 0.927 269 S CB 0.102 63.323 63.200 0.036 0.000 0.774 269 S HN 0.484 nan 8.310 nan 0.000 0.524 270 K N 0.713 121.117 120.400 0.008 0.000 2.426 270 K HA 0.228 4.548 4.320 -0.000 0.000 0.193 270 K C 1.264 177.863 176.600 -0.002 0.000 1.028 270 K CA 0.482 56.772 56.287 0.005 0.000 1.047 270 K CB -0.014 32.492 32.500 0.010 0.000 0.821 270 K HN 0.577 nan 8.250 nan 0.000 0.513 271 G N 1.323 110.120 108.800 -0.006 0.000 2.179 271 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.220 271 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.220 271 G C -0.195 174.705 174.900 -0.000 0.000 0.990 271 G CA -0.315 44.779 45.100 -0.010 0.000 0.646 271 G HN 0.312 nan 8.290 nan 0.000 0.517 272 Q N 0.290 120.096 119.800 0.010 0.000 2.306 272 Q HA 0.412 4.752 4.340 -0.000 0.000 0.241 272 Q C 0.171 176.188 176.000 0.029 0.000 0.948 272 Q CA -0.607 55.209 55.803 0.021 0.000 0.886 272 Q CB 0.653 29.407 28.738 0.028 0.000 1.227 272 Q HN 0.174 nan 8.270 nan 0.000 0.457 273 N N 1.082 119.804 118.700 0.037 0.000 2.402 273 N HA 0.011 4.751 4.740 -0.000 0.000 0.259 273 N C -0.308 175.251 175.510 0.081 0.000 1.167 273 N CA -0.042 53.038 53.050 0.049 0.000 0.949 273 N CB 0.428 38.944 38.487 0.049 0.000 1.212 273 N HN 0.638 nan 8.380 nan 0.000 0.493 274 C N 2.227 121.588 119.300 0.102 0.000 2.481 274 C HA 0.281 4.740 4.460 -0.000 0.000 0.275 274 C C 1.443 176.575 174.990 0.236 0.000 1.419 274 C CA 0.634 59.770 59.018 0.196 0.000 1.773 274 C CB -1.352 26.541 27.740 0.255 0.000 1.862 274 C HN 0.883 nan 8.230 nan 0.000 0.530 275 G N -1.663 107.197 108.800 0.099 0.000 2.302 275 G HA2 0.201 4.161 3.960 -0.000 0.000 0.264 275 G HA3 0.201 4.161 3.960 -0.000 0.000 0.264 275 G C -1.923 172.958 174.900 -0.033 0.000 1.335 275 G CA -0.556 44.550 45.100 0.011 0.000 0.982 275 G HN 0.055 nan 8.290 nan 0.000 0.473 276 Y N 0.798 120.949 120.300 -0.249 0.000 2.442 276 Y HA 0.766 5.316 4.550 -0.000 0.000 0.344 276 Y C 0.212 175.943 175.900 -0.282 0.000 0.976 276 Y CA -0.838 57.138 58.100 -0.206 0.000 1.040 276 Y CB 1.929 40.295 38.460 -0.157 0.000 1.228 276 Y HN 0.707 nan 8.280 nan 0.000 0.451 277 R N 4.671 124.881 120.500 -0.483 0.000 2.460 277 R HA 0.545 4.885 4.340 -0.000 0.000 0.303 277 R C -0.636 175.467 176.300 -0.327 0.000 0.968 277 R CA -0.586 55.225 56.100 -0.481 0.000 0.889 277 R CB 0.908 30.967 30.300 -0.402 0.000 1.123 277 R HN 0.903 nan 8.270 nan 0.000 0.455 278 R N 3.021 123.311 120.500 -0.350 0.000 2.668 278 R HA 0.212 4.552 4.340 -0.000 0.000 0.435 278 R C -0.500 175.660 176.300 -0.233 0.000 1.059 278 R CA -0.316 55.673 56.100 -0.184 0.000 1.073 278 R CB 0.455 30.693 30.300 -0.102 0.000 1.401 278 R HN 0.757 nan 8.270 nan 0.000 0.590 279 C N -1.654 117.460 119.300 -0.310 0.000 3.308 279 C HA 0.624 5.084 4.460 -0.000 0.000 0.360 279 C C -0.136 174.776 174.990 -0.130 0.000 1.695 279 C CA -1.490 57.386 59.018 -0.238 0.000 1.366 279 C CB 1.223 28.762 27.740 -0.335 0.000 2.121 279 C HN 0.351 nan 8.230 nan 0.000 0.442 280 R N 1.212 121.678 120.500 -0.056 0.000 2.484 280 R HA 0.486 4.826 4.340 -0.000 0.000 0.293 280 R C 0.122 176.457 176.300 0.058 0.000 1.023 280 R CA 0.908 57.026 56.100 0.030 0.000 1.037 280 R CB -0.108 30.246 30.300 0.089 0.000 0.951 280 R HN 1.151 nan 8.270 nan 0.000 0.418 281 A N 3.448 126.318 122.820 0.083 0.000 2.401 281 A HA 0.215 4.535 4.320 -0.000 0.000 0.259 281 A C 0.941 178.613 177.584 0.146 0.000 1.103 281 A CA 0.143 52.253 52.037 0.122 0.000 0.789 281 A CB 0.455 19.535 19.000 0.134 0.000 1.035 281 A HN 1.012 nan 8.150 nan 0.000 0.491 282 S N 1.691 117.495 115.700 0.173 0.000 2.528 282 S HA 0.136 4.606 4.470 -0.000 0.000 0.219 282 S C 1.076 175.768 174.600 0.154 0.000 0.985 282 S CA 0.660 58.961 58.200 0.168 0.000 0.914 282 S CB 0.113 63.422 63.200 0.182 0.000 0.776 282 S HN 1.251 nan 8.310 nan 0.000 0.526 283 G N 1.834 110.746 108.800 0.186 0.000 4.044 283 G HA2 0.492 4.452 3.960 -0.000 0.000 0.297 283 G HA3 0.492 4.452 3.960 -0.000 0.000 0.297 283 G C 0.039 175.051 174.900 0.187 0.000 1.101 283 G CA 0.014 45.227 45.100 0.189 0.000 0.884 283 G HN 0.570 nan 8.290 nan 0.000 0.538 284 V N -2.351 117.658 119.914 0.158 0.000 2.834 284 V HA 0.484 4.604 4.120 -0.000 0.000 0.313 284 V C 1.576 177.722 176.094 0.085 0.000 1.060 284 V CA -0.890 61.514 62.300 0.172 0.000 0.989 284 V CB 1.859 33.846 31.823 0.273 0.000 1.041 284 V HN 0.078 nan 8.190 nan 0.000 0.459 285 L N 1.171 122.455 121.223 0.102 0.000 2.081 285 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 285 L C 2.343 179.190 176.870 -0.039 0.000 1.080 285 L CA 2.509 57.374 54.840 0.043 0.000 0.754 285 L CB -0.165 41.944 42.059 0.083 0.000 0.893 285 L HN 1.066 nan 8.230 nan 0.000 0.433 286 T N -1.296 113.185 114.554 -0.121 0.000 3.129 286 T HA -0.049 4.301 4.350 -0.000 0.000 0.251 286 T C 1.575 176.202 174.700 -0.121 0.000 1.117 286 T CA 0.855 62.828 62.100 -0.211 0.000 1.034 286 T CB -0.005 68.517 68.868 -0.576 0.000 0.968 286 T HN 0.426 nan 8.240 nan 0.000 0.526 287 T N 0.557 115.074 114.554 -0.062 0.000 2.684 287 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 287 T C 2.198 176.933 174.700 0.058 0.000 1.036 287 T CA 1.672 63.784 62.100 0.019 0.000 1.148 287 T CB -0.375 68.525 68.868 0.053 0.000 0.863 287 T HN 0.372 nan 8.240 nan 0.000 0.436 288 S N -0.261 115.452 115.700 0.020 0.000 2.345 288 S HA -0.125 4.344 4.470 -0.000 0.000 0.219 288 S C 2.440 177.114 174.600 0.123 0.000 1.031 288 S CA 1.202 59.424 58.200 0.036 0.000 0.984 288 S CB -0.938 62.181 63.200 -0.134 0.000 0.874 288 S HN 0.660 nan 8.310 nan 0.000 0.451 289 C N 1.341 120.689 119.300 0.080 0.000 2.413 289 C HA 0.050 4.510 4.460 -0.000 0.000 0.276 289 C C 2.753 177.830 174.990 0.145 0.000 1.248 289 C CA 1.206 60.293 59.018 0.115 0.000 1.742 289 C CB -1.779 25.987 27.740 0.043 0.000 2.017 289 C HN 0.725 nan 8.230 nan 0.000 0.481 290 G N -0.308 108.572 108.800 0.133 0.000 2.394 290 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.214 290 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.214 290 G C 1.512 176.529 174.900 0.196 0.000 1.176 290 G CA 0.933 46.118 45.100 0.143 0.000 0.786 290 G HN 0.762 nan 8.290 nan 0.000 0.533 291 N N -0.139 118.695 118.700 0.224 0.000 2.149 291 N HA -0.110 4.630 4.740 -0.000 0.000 0.188 291 N C 2.249 177.837 175.510 0.131 0.000 1.019 291 N CA 1.504 54.713 53.050 0.265 0.000 0.857 291 N CB -0.095 38.476 38.487 0.140 0.000 0.997 291 N HN 0.221 nan 8.380 nan 0.000 0.426 292 T N 1.445 116.094 114.554 0.158 0.000 2.770 292 T HA -0.011 4.339 4.350 -0.000 0.000 0.263 292 T C 2.043 176.846 174.700 0.171 0.000 1.039 292 T CA 0.606 62.804 62.100 0.164 0.000 1.142 292 T CB -0.225 68.818 68.868 0.291 0.000 0.868 292 T HN 0.117 nan 8.240 nan 0.000 0.435 293 L N 0.706 122.017 121.223 0.146 0.000 2.042 293 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 293 L C 2.842 179.825 176.870 0.188 0.000 1.076 293 L CA 1.314 56.225 54.840 0.118 0.000 0.749 293 L CB -0.851 41.242 42.059 0.056 0.000 0.893 293 L HN 0.282 nan 8.230 nan 0.000 0.432 294 T N -1.885 112.801 114.554 0.219 0.000 2.985 294 T HA -0.169 4.181 4.350 -0.000 0.000 0.266 294 T C 1.924 176.828 174.700 0.340 0.000 1.076 294 T CA 1.120 63.381 62.100 0.269 0.000 1.135 294 T CB -0.263 68.799 68.868 0.324 0.000 0.890 294 T HN 0.482 nan 8.240 nan 0.000 0.480 295 C N 0.506 120.004 119.300 0.330 0.000 2.500 295 C HA 0.016 4.476 4.460 -0.000 0.000 0.279 295 C C 2.331 177.464 174.990 0.240 0.000 1.288 295 C CA 0.153 59.341 59.018 0.284 0.000 1.710 295 C CB -1.345 26.436 27.740 0.068 0.000 2.052 295 C HN 0.651 nan 8.230 nan 0.000 0.488 296 Y N 1.249 121.607 120.300 0.097 0.000 2.097 296 Y HA -0.181 4.369 4.550 -0.000 0.000 0.282 296 Y C 2.280 178.205 175.900 0.041 0.000 1.152 296 Y CA 2.200 60.341 58.100 0.067 0.000 1.136 296 Y CB -0.664 37.823 38.460 0.046 0.000 0.975 296 Y HN 0.359 nan 8.280 nan 0.000 0.498 297 L N 0.360 121.650 121.223 0.111 0.000 1.963 297 L HA -0.353 3.987 4.340 -0.000 0.000 0.220 297 L C 2.427 179.215 176.870 -0.135 0.000 1.076 297 L CA 2.425 57.208 54.840 -0.095 0.000 0.772 297 L CB -0.479 41.514 42.059 -0.109 0.000 0.892 297 L HN 0.302 nan 8.230 nan 0.000 0.435 298 K N -0.630 119.783 120.400 0.022 0.000 2.057 298 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 298 K C 2.010 178.670 176.600 0.100 0.000 1.049 298 K CA 1.400 57.752 56.287 0.109 0.000 0.931 298 K CB -0.249 32.416 32.500 0.276 0.000 0.714 298 K HN 0.456 nan 8.250 nan 0.000 0.440 299 A N 0.883 123.731 122.820 0.047 0.000 1.929 299 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 299 A C 2.226 179.829 177.584 0.031 0.000 1.176 299 A CA 1.503 53.572 52.037 0.053 0.000 0.628 299 A CB -0.430 18.674 19.000 0.173 0.000 0.816 299 A HN 0.138 nan 8.150 nan 0.000 0.444 300 S N -0.079 115.534 115.700 -0.144 0.000 2.359 300 S HA -0.091 4.378 4.470 -0.000 0.000 0.224 300 S C 2.351 176.905 174.600 -0.078 0.000 1.035 300 S CA 1.317 59.395 58.200 -0.202 0.000 1.018 300 S CB -0.492 62.427 63.200 -0.469 0.000 0.876 300 S HN 0.794 nan 8.310 nan 0.000 0.448 301 A N 1.426 124.214 122.820 -0.054 0.000 1.908 301 A HA 0.024 4.344 4.320 -0.000 0.000 0.218 301 A C 2.323 179.952 177.584 0.075 0.000 1.181 301 A CA 1.870 53.943 52.037 0.060 0.000 0.627 301 A CB -1.068 17.977 19.000 0.075 0.000 0.818 301 A HN 0.541 nan 8.150 nan 0.000 0.445 302 A N -1.367 121.487 122.820 0.056 0.000 2.015 302 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 302 A C 2.216 179.753 177.584 -0.079 0.000 1.163 302 A CA 1.496 53.409 52.037 -0.207 0.000 0.646 302 A CB -1.102 17.428 19.000 -0.783 0.000 0.806 302 A HN 0.603 nan 8.150 nan 0.000 0.448 303 C N -0.919 118.462 119.300 0.134 0.000 2.440 303 C HA -0.041 4.419 4.460 -0.000 0.000 0.278 303 C C 2.848 177.853 174.990 0.025 0.000 1.295 303 C CA 0.971 60.118 59.018 0.214 0.000 1.738 303 C CB -1.244 26.600 27.740 0.174 0.000 1.987 303 C HN 0.619 nan 8.230 nan 0.000 0.492 304 R N 1.194 121.635 120.500 -0.098 0.000 2.075 304 R HA -0.048 4.292 4.340 -0.000 0.000 0.232 304 R C 2.469 178.493 176.300 -0.461 0.000 1.126 304 R CA 1.484 57.438 56.100 -0.245 0.000 0.963 304 R CB -0.551 29.605 30.300 -0.241 0.000 0.858 304 R HN 0.505 nan 8.270 nan 0.000 0.435 305 A N 1.462 123.939 122.820 -0.571 0.000 1.892 305 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 305 A C 2.264 179.770 177.584 -0.130 0.000 1.188 305 A CA 1.976 53.796 52.037 -0.362 0.000 0.631 305 A CB -0.660 18.214 19.000 -0.211 0.000 0.822 305 A HN 0.417 nan 8.150 nan 0.000 0.447 306 A N -1.770 121.016 122.820 -0.056 0.000 2.238 306 A HA 0.287 4.606 4.320 -0.000 0.000 0.208 306 A C 1.024 178.619 177.584 0.019 0.000 1.177 306 A CA 0.962 53.010 52.037 0.018 0.000 0.804 306 A CB -0.371 18.698 19.000 0.116 0.000 0.823 306 A HN 0.527 nan 8.150 nan 0.000 0.482 307 K N -1.176 119.221 120.400 -0.005 0.000 3.069 307 K HA -0.155 4.165 4.320 -0.000 0.000 0.267 307 K C -0.582 176.031 176.600 0.023 0.000 1.082 307 K CA 0.522 56.813 56.287 0.006 0.000 0.782 307 K CB -2.140 30.367 32.500 0.011 0.000 1.230 307 K HN 0.561 nan 8.250 nan 0.000 0.488 308 L N 1.682 122.930 121.223 0.043 0.000 2.490 308 L HA -0.014 4.326 4.340 -0.000 0.000 0.274 308 L C 1.023 177.908 176.870 0.025 0.000 1.201 308 L CA 0.371 55.240 54.840 0.048 0.000 0.869 308 L CB 0.286 42.397 42.059 0.086 0.000 1.123 308 L HN 0.161 nan 8.230 nan 0.000 0.484 309 Q N 2.659 122.466 119.800 0.012 0.000 2.256 309 Q HA 0.154 4.494 4.340 -0.000 0.000 0.257 309 Q C -0.585 175.407 176.000 -0.015 0.000 0.936 309 Q CA -0.727 55.076 55.803 -0.000 0.000 0.903 309 Q CB 1.666 30.401 28.738 -0.005 0.000 1.263 309 Q HN 0.525 nan 8.270 nan 0.000 0.440 310 D N 0.621 121.012 120.400 -0.014 0.000 2.697 310 D HA -0.164 4.476 4.640 -0.000 0.000 0.235 310 D C -0.574 175.706 176.300 -0.034 0.000 1.167 310 D CA 0.541 54.527 54.000 -0.024 0.000 0.656 310 D CB -1.364 39.412 40.800 -0.039 0.000 1.025 310 D HN 0.516 nan 8.370 nan 0.000 0.419 311 C N 0.430 119.719 119.300 -0.019 0.000 2.657 311 C HA 0.261 4.721 4.460 -0.000 0.000 0.420 311 C C 1.207 176.185 174.990 -0.020 0.000 1.323 311 C CA 0.270 59.271 59.018 -0.028 0.000 1.894 311 C CB 0.376 28.112 27.740 -0.007 0.000 2.681 311 C HN 0.312 nan 8.230 nan 0.000 0.613 312 T N 5.809 120.339 114.554 -0.040 0.000 2.841 312 T HA 0.491 4.841 4.350 -0.000 0.000 0.285 312 T C -0.407 174.303 174.700 0.016 0.000 0.991 312 T CA -0.274 61.831 62.100 0.007 0.000 0.966 312 T CB 1.008 69.846 68.868 -0.050 0.000 0.962 312 T HN 0.539 nan 8.240 nan 0.000 0.438 313 M N 3.249 122.914 119.600 0.108 0.000 2.537 313 M HA 0.591 5.070 4.480 -0.000 0.000 0.324 313 M C -1.033 175.400 176.300 0.221 0.000 1.187 313 M CA -0.951 54.411 55.300 0.103 0.000 0.993 313 M CB 2.071 34.734 32.600 0.105 0.000 1.666 313 M HN 0.270 nan 8.290 nan 0.000 0.461 314 L N 2.825 124.142 121.223 0.157 0.000 2.406 314 L HA 0.725 5.065 4.340 -0.000 0.000 0.272 314 L C -1.675 175.231 176.870 0.060 0.000 0.980 314 L CA -0.729 54.210 54.840 0.164 0.000 0.831 314 L CB 1.943 44.124 42.059 0.203 0.000 1.253 314 L HN 0.498 nan 8.230 nan 0.000 0.406 315 V N 4.111 124.033 119.914 0.014 0.000 2.638 315 V HA 0.489 4.609 4.120 -0.000 0.000 0.306 315 V C -0.504 175.452 176.094 -0.231 0.000 1.052 315 V CA -0.587 61.695 62.300 -0.030 0.000 0.885 315 V CB 1.795 33.672 31.823 0.089 0.000 0.999 315 V HN 0.809 nan 8.190 nan 0.000 0.424 316 N N 2.194 120.725 118.700 -0.283 0.000 2.477 316 N HA 0.438 5.178 4.740 -0.000 0.000 0.167 316 N C 1.347 176.762 175.510 -0.159 0.000 1.351 316 N CA 0.478 53.174 53.050 -0.591 0.000 1.087 316 N CB -0.266 37.847 38.487 -0.623 0.000 1.263 316 N HN 0.679 nan 8.380 nan 0.000 0.408 317 G N 0.435 109.227 108.800 -0.013 0.000 2.832 317 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.187 317 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.187 317 G C 0.319 175.088 174.900 -0.219 0.000 1.817 317 G CA 0.745 45.850 45.100 0.010 0.000 0.896 317 G HN 0.572 nan 8.290 nan 0.000 0.453 318 D N 0.704 120.870 120.400 -0.391 0.000 2.324 318 D HA 0.051 4.691 4.640 -0.000 0.000 0.235 318 D C -0.590 175.673 176.300 -0.062 0.000 1.095 318 D CA -0.091 53.645 54.000 -0.440 0.000 0.871 318 D CB -0.253 40.192 40.800 -0.592 0.000 0.906 318 D HN 0.059 nan 8.370 nan 0.000 0.522 319 D N 0.903 121.282 120.400 -0.035 0.000 2.316 319 D HA 0.278 4.918 4.640 -0.000 0.000 0.245 319 D C -0.502 175.814 176.300 0.027 0.000 1.171 319 D CA -0.274 53.738 54.000 0.020 0.000 0.856 319 D CB 1.298 42.103 40.800 0.008 0.000 1.090 319 D HN 0.081 nan 8.370 nan 0.000 0.476 320 L N 3.625 124.900 121.223 0.087 0.000 2.381 320 L HA 0.554 4.894 4.340 -0.000 0.000 0.274 320 L C -1.452 175.428 176.870 0.016 0.000 0.988 320 L CA -0.796 54.095 54.840 0.085 0.000 0.824 320 L CB 1.750 43.929 42.059 0.200 0.000 1.263 320 L HN 0.124 nan 8.230 nan 0.000 0.410 321 V N 5.155 125.037 119.914 -0.052 0.000 2.555 321 V HA 0.552 4.672 4.120 -0.000 0.000 0.302 321 V C -0.234 175.693 176.094 -0.279 0.000 1.038 321 V CA -0.639 61.567 62.300 -0.157 0.000 0.887 321 V CB 2.257 34.026 31.823 -0.089 0.000 0.991 321 V HN 0.507 nan 8.190 nan 0.000 0.434 322 V N 5.832 125.386 119.914 -0.600 0.000 2.540 322 V HA 0.568 4.688 4.120 -0.000 0.000 0.302 322 V C -0.515 175.299 176.094 -0.466 0.000 1.035 322 V CA -0.401 61.514 62.300 -0.641 0.000 0.873 322 V CB 1.907 33.044 31.823 -1.143 0.000 0.992 322 V HN 0.711 nan 8.190 nan 0.000 0.428 323 I N 5.274 125.700 120.570 -0.240 0.000 2.418 323 I HA 0.643 4.813 4.170 -0.000 0.000 0.287 323 I C 0.013 176.044 176.117 -0.143 0.000 1.008 323 I CA -0.229 60.986 61.300 -0.143 0.000 1.104 323 I CB 1.562 39.525 38.000 -0.062 0.000 1.264 323 I HN 0.883 nan 8.210 nan 0.000 0.438 324 C N 2.550 121.770 119.300 -0.133 0.000 3.308 324 C HA 0.618 5.078 4.460 -0.000 0.000 0.360 324 C C -0.471 174.442 174.990 -0.129 0.000 1.695 324 C CA -0.877 58.079 59.018 -0.103 0.000 1.366 324 C CB 1.764 29.479 27.740 -0.041 0.000 2.121 324 C HN 0.594 nan 8.230 nan 0.000 0.442 325 E N 1.622 121.768 120.200 -0.090 0.000 2.259 325 E HA 0.321 4.671 4.350 -0.000 0.000 0.281 325 E C -0.115 176.463 176.600 -0.037 0.000 1.027 325 E CA 0.406 56.755 56.400 -0.087 0.000 0.838 325 E CB 1.771 31.432 29.700 -0.066 0.000 1.066 325 E HN 0.705 nan 8.360 nan 0.000 0.401 326 S N 1.465 117.152 115.700 -0.020 0.000 2.564 326 S HA 0.251 4.720 4.470 -0.000 0.000 0.278 326 S C 0.643 175.258 174.600 0.026 0.000 1.333 326 S CA 0.085 58.317 58.200 0.053 0.000 1.048 326 S CB 0.666 63.942 63.200 0.127 0.000 0.900 326 S HN 0.539 nan 8.310 nan 0.000 0.505 327 A N 3.494 126.337 122.820 0.039 0.000 2.348 327 A HA 0.623 4.943 4.320 -0.000 0.000 0.224 327 A C 1.024 178.617 177.584 0.015 0.000 1.227 327 A CA 0.387 52.436 52.037 0.019 0.000 0.885 327 A CB -0.965 18.047 19.000 0.020 0.000 0.933 327 A HN 1.834 nan 8.150 nan 0.000 0.506 328 G N -1.609 107.205 108.800 0.023 0.000 2.570 328 G HA2 0.041 4.001 3.960 -0.000 0.000 0.686 328 G HA3 0.041 4.001 3.960 -0.000 0.000 0.686 328 G C 0.531 175.450 174.900 0.031 0.000 1.257 328 G CA 0.250 45.349 45.100 -0.002 0.000 0.846 328 G HN 0.938 nan 8.290 nan 0.000 0.627 329 T N -2.279 112.271 114.554 -0.007 0.000 2.812 329 T HA -0.060 4.290 4.350 -0.000 0.000 0.264 329 T C 2.012 176.750 174.700 0.064 0.000 1.042 329 T CA 2.116 64.245 62.100 0.048 0.000 1.140 329 T CB -0.151 68.704 68.868 -0.021 0.000 0.870 329 T HN 0.494 nan 8.240 nan 0.000 0.445 330 Q N 1.092 120.909 119.800 0.027 0.000 2.172 330 Q HA 0.038 4.378 4.340 -0.000 0.000 0.200 330 Q C 2.282 178.296 176.000 0.022 0.000 0.964 330 Q CA 1.344 57.161 55.803 0.022 0.000 0.855 330 Q CB -0.322 28.422 28.738 0.009 0.000 0.918 330 Q HN 0.683 nan 8.270 nan 0.000 0.444 331 E N 0.944 121.158 120.200 0.023 0.000 2.031 331 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 331 E C 1.690 178.306 176.600 0.027 0.000 0.994 331 E CA 1.334 57.747 56.400 0.021 0.000 0.800 331 E CB -0.115 29.597 29.700 0.019 0.000 0.752 331 E HN 0.270 nan 8.360 nan 0.000 0.447 332 D N 0.244 120.675 120.400 0.051 0.000 2.133 332 D HA -0.182 4.458 4.640 -0.000 0.000 0.195 332 D C 1.855 178.158 176.300 0.006 0.000 0.997 332 D CA 1.593 55.624 54.000 0.051 0.000 0.840 332 D CB -0.437 40.444 40.800 0.135 0.000 0.947 332 D HN 0.225 nan 8.370 nan 0.000 0.452 333 A N 0.777 123.610 122.820 0.023 0.000 1.933 333 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 333 A C 2.286 179.857 177.584 -0.022 0.000 1.175 333 A CA 2.187 54.221 52.037 -0.005 0.000 0.628 333 A CB -0.615 18.395 19.000 0.017 0.000 0.814 333 A HN 0.247 nan 8.150 nan 0.000 0.444 334 A N -0.287 122.528 122.820 -0.008 0.000 1.929 334 A HA 0.006 4.325 4.320 -0.000 0.000 0.216 334 A C 2.399 179.975 177.584 -0.014 0.000 1.176 334 A CA 1.836 53.868 52.037 -0.009 0.000 0.628 334 A CB -0.739 18.261 19.000 -0.001 0.000 0.816 334 A HN 0.508 nan 8.150 nan 0.000 0.444 335 S N 0.313 116.004 115.700 -0.015 0.000 2.368 335 S HA -0.090 4.380 4.470 -0.000 0.000 0.225 335 S C 1.757 176.339 174.600 -0.030 0.000 1.030 335 S CA 1.173 59.368 58.200 -0.009 0.000 0.999 335 S CB -0.355 62.846 63.200 0.002 0.000 0.844 335 S HN 0.356 nan 8.310 nan 0.000 0.459 336 L N 1.840 122.994 121.223 -0.114 0.000 2.083 336 L HA 0.021 4.361 4.340 -0.000 0.000 0.209 336 L C 2.524 179.353 176.870 -0.067 0.000 1.083 336 L CA 1.587 56.285 54.840 -0.236 0.000 0.752 336 L CB -1.077 40.759 42.059 -0.372 0.000 0.899 336 L HN 0.320 nan 8.230 nan 0.000 0.433 337 R N -1.253 119.224 120.500 -0.039 0.000 2.096 337 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 337 R C 2.151 178.453 176.300 0.003 0.000 1.127 337 R CA 1.034 57.130 56.100 -0.008 0.000 0.968 337 R CB -0.186 30.106 30.300 -0.013 0.000 0.861 337 R HN 0.218 nan 8.270 nan 0.000 0.440 338 V N 0.467 120.383 119.914 0.003 0.000 2.453 338 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 338 V C 1.830 177.914 176.094 -0.017 0.000 1.048 338 V CA 1.363 63.656 62.300 -0.011 0.000 1.049 338 V CB -0.520 31.299 31.823 -0.008 0.000 0.672 338 V HN 0.211 nan 8.190 nan 0.000 0.457 339 F N 1.882 121.762 119.950 -0.116 0.000 2.095 339 F HA -0.270 4.257 4.527 -0.000 0.000 0.298 339 F C 2.690 178.404 175.800 -0.144 0.000 1.104 339 F CA 2.289 60.211 58.000 -0.129 0.000 1.232 339 F CB -0.443 38.468 39.000 -0.148 0.000 0.987 339 F HN 0.241 nan 8.300 nan 0.000 0.475 340 T N -1.926 112.677 114.554 0.082 0.000 3.055 340 T HA -0.089 4.261 4.350 -0.000 0.000 0.265 340 T C 1.694 176.358 174.700 -0.059 0.000 1.111 340 T CA 1.413 63.552 62.100 0.066 0.000 1.118 340 T CB -0.467 68.593 68.868 0.321 0.000 0.909 340 T HN 0.507 nan 8.240 nan 0.000 0.501 341 E N 0.515 120.657 120.200 -0.097 0.000 2.072 341 E HA 0.095 4.445 4.350 -0.000 0.000 0.191 341 E C 2.518 178.969 176.600 -0.248 0.000 0.985 341 E CA 1.039 57.363 56.400 -0.126 0.000 0.801 341 E CB -0.287 29.356 29.700 -0.094 0.000 0.750 341 E HN 0.676 nan 8.360 nan 0.000 0.452 342 A N 0.853 123.454 122.820 -0.365 0.000 1.873 342 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 342 A C 2.122 179.182 177.584 -0.873 0.000 1.186 342 A CA 1.178 52.831 52.037 -0.641 0.000 0.616 342 A CB -0.339 18.314 19.000 -0.578 0.000 0.823 342 A HN 0.152 nan 8.150 nan 0.000 0.442 343 M N 0.581 119.820 119.600 -0.601 0.000 2.106 343 M HA -0.157 4.323 4.480 -0.000 0.000 0.259 343 M C 2.389 178.600 176.300 -0.150 0.000 1.068 343 M CA 2.322 57.420 55.300 -0.337 0.000 1.100 343 M CB -1.813 30.586 32.600 -0.334 0.000 1.351 343 M HN 0.742 nan 8.290 nan 0.000 0.404 344 T N -1.990 112.482 114.554 -0.138 0.000 2.777 344 T HA -0.110 4.239 4.350 -0.000 0.000 0.266 344 T C 1.986 176.636 174.700 -0.083 0.000 1.040 344 T CA 0.946 63.014 62.100 -0.053 0.000 1.141 344 T CB -0.434 68.412 68.868 -0.036 0.000 0.868 344 T HN 0.345 nan 8.240 nan 0.000 0.444 345 R N 0.077 120.464 120.500 -0.187 0.000 2.103 345 R HA -0.082 4.258 4.340 -0.000 0.000 0.242 345 R C 1.959 178.241 176.300 -0.030 0.000 1.142 345 R CA 1.603 57.608 56.100 -0.159 0.000 0.960 345 R CB -0.472 29.666 30.300 -0.270 0.000 0.858 345 R HN 0.459 nan 8.270 nan 0.000 0.439 346 Y N -0.579 119.689 120.300 -0.054 0.000 2.578 346 Y HA 0.019 4.569 4.550 -0.000 0.000 0.297 346 Y C 1.437 177.319 175.900 -0.031 0.000 1.176 346 Y CA 0.323 58.386 58.100 -0.062 0.000 1.315 346 Y CB -0.022 38.432 38.460 -0.009 0.000 1.031 346 Y HN 0.114 nan 8.280 nan 0.000 0.524 347 S N -1.924 113.844 115.700 0.113 0.000 2.012 347 S HA -0.138 4.332 4.470 -0.000 0.000 0.252 347 S C 0.273 174.927 174.600 0.090 0.000 1.285 347 S CA 0.438 58.686 58.200 0.081 0.000 1.201 347 S CB -1.677 61.559 63.200 0.061 0.000 1.497 347 S HN 0.554 nan 8.310 nan 0.000 0.616 348 A N 2.459 125.357 122.820 0.129 0.000 2.937 348 A HA 0.658 4.978 4.320 -0.000 0.000 0.338 348 A C -2.262 175.469 177.584 0.245 0.000 1.273 348 A CA -1.240 50.914 52.037 0.196 0.000 0.937 348 A CB 0.510 19.700 19.000 0.316 0.000 1.133 348 A HN 0.439 nan 8.150 nan 0.000 0.491 349 P HA 0.336 nan 4.420 nan 0.000 0.274 349 P C -2.985 174.379 177.300 0.107 0.000 1.237 349 P CA -1.501 61.678 63.100 0.131 0.000 0.793 349 P CB 0.749 32.453 31.700 0.007 0.000 0.977 350 P HA 0.110 nan 4.420 nan 0.000 0.281 350 P C 1.033 178.250 177.300 -0.139 0.000 1.249 350 P CA -0.022 62.915 63.100 -0.272 0.000 0.810 350 P CB 0.752 32.161 31.700 -0.485 0.000 1.008 351 G N 2.326 111.050 108.800 -0.127 0.000 2.511 351 G HA2 -0.108 3.851 3.960 -0.000 0.000 0.216 351 G HA3 -0.108 3.851 3.960 -0.000 0.000 0.216 351 G C 0.051 174.906 174.900 -0.075 0.000 1.218 351 G CA 0.683 45.740 45.100 -0.071 0.000 0.788 351 G HN 0.527 nan 8.290 nan 0.000 0.560 352 D N 0.717 121.062 120.400 -0.092 0.000 2.248 352 D HA 0.402 5.042 4.640 -0.000 0.000 0.246 352 D C -2.615 173.633 176.300 -0.087 0.000 1.027 352 D CA -1.208 52.749 54.000 -0.070 0.000 0.853 352 D CB 1.922 42.693 40.800 -0.049 0.000 1.243 352 D HN -0.013 nan 8.370 nan 0.000 0.462 353 P HA 0.160 nan 4.420 nan 0.000 0.269 353 P C -2.363 174.928 177.300 -0.015 0.000 1.209 353 P CA -0.898 62.189 63.100 -0.022 0.000 0.776 353 P CB -0.269 31.428 31.700 -0.005 0.000 0.876 354 P HA 0.117 nan 4.420 nan 0.000 0.272 354 P C -0.797 176.480 177.300 -0.037 0.000 1.230 354 P CA 0.078 63.194 63.100 0.027 0.000 0.788 354 P CB 0.653 32.367 31.700 0.024 0.000 0.949 355 Q N 0.931 120.726 119.800 -0.009 0.000 2.356 355 Q HA 0.423 4.763 4.340 -0.000 0.000 0.270 355 Q C -2.469 173.516 176.000 -0.024 0.000 1.058 355 Q CA -1.997 53.791 55.803 -0.025 0.000 0.802 355 Q CB 1.790 30.528 28.738 -0.000 0.000 1.303 355 Q HN 0.316 nan 8.270 nan 0.000 0.444 356 P HA 0.119 nan 4.420 nan 0.000 0.271 356 P C -0.568 176.596 177.300 -0.227 0.000 1.216 356 P CA 0.064 63.086 63.100 -0.131 0.000 0.776 356 P CB 0.814 32.441 31.700 -0.121 0.000 0.881 357 E N 1.689 121.691 120.200 -0.329 0.000 2.266 357 E HA 0.231 4.580 4.350 -0.000 0.000 0.268 357 E C -0.574 175.798 176.600 -0.380 0.000 0.879 357 E CA -0.387 55.859 56.400 -0.256 0.000 0.762 357 E CB 1.468 31.131 29.700 -0.062 0.000 1.199 357 E HN 0.448 nan 8.360 nan 0.000 0.422 358 Y N -0.175 120.259 120.300 0.224 0.000 2.531 358 Y HA 0.182 4.731 4.550 -0.000 0.000 0.249 358 Y C 0.311 176.433 175.900 0.370 0.000 1.168 358 Y CA -0.406 57.882 58.100 0.313 0.000 1.226 358 Y CB 1.104 39.661 38.460 0.161 0.000 1.177 358 Y HN 0.225 nan 8.280 nan 0.000 0.527 359 D N 0.602 121.141 120.400 0.231 0.000 2.542 359 D HA 0.128 4.768 4.640 -0.000 0.000 0.252 359 D C 0.639 176.736 176.300 -0.338 0.000 1.222 359 D CA -0.215 53.789 54.000 0.006 0.000 0.895 359 D CB 1.359 42.177 40.800 0.030 0.000 1.207 359 D HN 0.129 nan 8.370 nan 0.000 0.558 360 L N 3.137 123.843 121.223 -0.861 0.000 2.127 360 L HA -0.114 4.226 4.340 -0.000 0.000 0.211 360 L C 1.784 178.345 176.870 -0.515 0.000 1.089 360 L CA 1.409 55.593 54.840 -1.092 0.000 0.757 360 L CB 0.053 41.199 42.059 -1.522 0.000 0.899 360 L HN 0.605 nan 8.230 nan 0.000 0.434 361 E N -0.017 119.979 120.200 -0.340 0.000 2.153 361 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 361 E C 2.062 178.568 176.600 -0.155 0.000 0.988 361 E CA 0.829 57.106 56.400 -0.205 0.000 0.811 361 E CB 0.004 29.626 29.700 -0.130 0.000 0.746 361 E HN 0.568 nan 8.360 nan 0.000 0.466 362 L N 0.895 122.031 121.223 -0.145 0.000 2.599 362 L HA 0.154 4.494 4.340 -0.000 0.000 0.230 362 L C 0.480 177.298 176.870 -0.087 0.000 1.141 362 L CA -0.110 54.676 54.840 -0.090 0.000 0.877 362 L CB 0.087 42.113 42.059 -0.054 0.000 1.009 362 L HN 0.095 nan 8.230 nan 0.000 0.447 363 I N 0.235 120.728 120.570 -0.127 0.000 2.312 363 I HA 0.095 4.265 4.170 -0.000 0.000 0.291 363 I C -0.010 176.062 176.117 -0.076 0.000 1.031 363 I CA 0.233 61.477 61.300 -0.094 0.000 1.293 363 I CB 1.116 39.043 38.000 -0.122 0.000 1.403 363 I HN -0.093 nan 8.210 nan 0.000 0.484 364 T N 5.121 119.650 114.554 -0.040 0.000 2.770 364 T HA 0.515 4.865 4.350 -0.000 0.000 0.283 364 T C -0.231 174.467 174.700 -0.004 0.000 0.988 364 T CA -0.642 61.444 62.100 -0.024 0.000 0.957 364 T CB 1.102 69.959 68.868 -0.019 0.000 0.930 364 T HN 0.725 nan 8.240 nan 0.000 0.443 365 S N 0.598 116.299 115.700 0.003 0.000 2.564 365 S HA 0.469 4.939 4.470 -0.000 0.000 0.274 365 S C 0.045 174.664 174.600 0.033 0.000 1.124 365 S CA -0.838 57.372 58.200 0.017 0.000 0.869 365 S CB 0.735 63.940 63.200 0.008 0.000 1.105 365 S HN 0.912 nan 8.310 nan 0.000 0.472 366 C N 1.572 120.899 119.300 0.044 0.000 4.235 366 C HA -0.151 4.309 4.460 -0.000 0.000 0.301 366 C C 1.409 176.458 174.990 0.098 0.000 1.409 366 C CA 0.608 59.670 59.018 0.073 0.000 2.024 366 C CB -3.357 24.426 27.740 0.071 0.000 1.286 366 C HN 1.646 nan 8.230 nan 0.000 0.746 367 S N -1.835 113.908 115.700 0.071 0.000 3.257 367 S HA -0.215 4.255 4.470 -0.000 0.000 0.300 367 S C 0.373 175.010 174.600 0.062 0.000 1.275 367 S CA 1.408 59.644 58.200 0.059 0.000 1.023 367 S CB -0.677 62.566 63.200 0.072 0.000 1.180 367 S HN 1.004 nan 8.310 nan 0.000 0.660 368 S N 1.115 116.864 115.700 0.082 0.000 2.634 368 S HA 0.757 5.227 4.470 -0.000 0.000 0.296 368 S C -0.237 174.386 174.600 0.039 0.000 1.104 368 S CA -0.639 57.627 58.200 0.110 0.000 0.920 368 S CB 1.991 65.314 63.200 0.205 0.000 1.111 368 S HN 0.706 nan 8.310 nan 0.000 0.493 369 N N -1.458 117.254 118.700 0.021 0.000 2.494 369 N HA 0.559 5.299 4.740 -0.000 0.000 0.270 369 N C -1.585 173.869 175.510 -0.092 0.000 1.285 369 N CA -0.878 52.142 53.050 -0.050 0.000 0.812 369 N CB 0.702 39.145 38.487 -0.074 0.000 1.557 369 N HN 0.282 nan 8.380 nan 0.000 0.487 370 V N 0.405 120.230 119.914 -0.148 0.000 2.775 370 V HA 0.600 4.720 4.120 -0.000 0.000 0.299 370 V C 0.279 176.229 176.094 -0.240 0.000 1.062 370 V CA -0.063 62.117 62.300 -0.199 0.000 1.063 370 V CB 0.851 32.552 31.823 -0.203 0.000 0.994 370 V HN 0.820 nan 8.190 nan 0.000 0.483 371 S N 1.782 117.266 115.700 -0.359 0.000 2.671 371 S HA 0.802 5.271 4.470 -0.000 0.000 0.277 371 S C -1.095 173.353 174.600 -0.252 0.000 1.165 371 S CA -0.417 57.590 58.200 -0.322 0.000 0.822 371 S CB 2.053 65.029 63.200 -0.374 0.000 1.150 371 S HN 0.961 nan 8.310 nan 0.000 0.479 372 V N 0.165 120.027 119.914 -0.087 0.000 2.680 372 V HA 1.072 5.192 4.120 -0.000 0.000 0.309 372 V C 0.049 176.086 176.094 -0.095 0.000 1.052 372 V CA -0.333 61.871 62.300 -0.160 0.000 0.908 372 V CB 0.650 32.270 31.823 -0.338 0.000 1.001 372 V HN 1.198 nan 8.190 nan 0.000 0.431 373 A N 2.753 125.413 122.820 -0.267 0.000 2.548 373 A HA 0.931 5.251 4.320 -0.000 0.000 0.282 373 A C -1.009 176.114 177.584 -0.769 0.000 1.288 373 A CA -0.735 50.937 52.037 -0.608 0.000 0.748 373 A CB 1.581 20.124 19.000 -0.761 0.000 1.339 373 A HN 1.004 nan 8.150 nan 0.000 0.475 374 H N 0.441 119.241 119.070 -0.451 0.000 2.572 374 H HA 0.423 4.979 4.556 -0.000 0.000 0.359 374 H C -1.000 174.192 175.328 -0.226 0.000 1.134 374 H CA -0.403 55.427 56.048 -0.365 0.000 1.187 374 H CB 1.621 31.114 29.762 -0.449 0.000 1.597 374 H HN 0.884 nan 8.280 nan 0.000 0.524 375 D N 0.672 121.110 120.400 0.065 0.000 2.440 375 D HA 0.188 4.828 4.640 -0.000 0.000 0.269 375 D C 1.328 177.777 176.300 0.250 0.000 1.249 375 D CA -0.340 53.733 54.000 0.120 0.000 1.055 375 D CB 0.286 41.116 40.800 0.050 0.000 1.104 375 D HN 0.413 nan 8.370 nan 0.000 0.561 376 A N -0.454 122.441 122.820 0.126 0.000 1.972 376 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 376 A C 2.017 179.639 177.584 0.063 0.000 1.169 376 A CA 2.221 54.291 52.037 0.055 0.000 0.635 376 A CB -1.133 17.878 19.000 0.019 0.000 0.810 376 A HN 0.619 nan 8.150 nan 0.000 0.446 377 S N -1.876 113.864 115.700 0.067 0.000 2.603 377 S HA 0.356 4.826 4.470 -0.000 0.000 0.220 377 S C 1.432 176.054 174.600 0.037 0.000 0.967 377 S CA 1.089 59.314 58.200 0.042 0.000 0.920 377 S CB -0.390 62.828 63.200 0.030 0.000 0.773 377 S HN 1.922 nan 8.310 nan 0.000 0.529 378 G N 1.089 109.934 108.800 0.075 0.000 2.179 378 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 378 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 378 G C 0.008 174.849 174.900 -0.097 0.000 0.977 378 G CA 0.363 45.443 45.100 -0.034 0.000 0.641 378 G HN 0.798 nan 8.290 nan 0.000 0.533 379 K N 0.843 121.248 120.400 0.008 0.000 2.295 379 K HA 0.432 4.752 4.320 -0.000 0.000 0.270 379 K C 0.810 177.468 176.600 0.096 0.000 1.011 379 K CA -0.608 55.696 56.287 0.028 0.000 0.953 379 K CB 0.279 32.797 32.500 0.029 0.000 0.956 379 K HN 0.302 nan 8.250 nan 0.000 0.477 380 R N 1.965 122.514 120.500 0.082 0.000 2.401 380 R HA 0.146 4.486 4.340 -0.000 0.000 0.299 380 R C -0.828 175.356 176.300 -0.193 0.000 1.064 380 R CA -0.373 55.698 56.100 -0.049 0.000 1.000 380 R CB 0.797 31.012 30.300 -0.142 0.000 0.973 380 R HN 0.266 nan 8.270 nan 0.000 0.438 381 V N 5.012 124.747 119.914 -0.299 0.000 2.487 381 V HA 0.278 4.398 4.120 -0.000 0.000 0.298 381 V C -0.827 175.105 176.094 -0.269 0.000 1.028 381 V CA -0.893 61.288 62.300 -0.198 0.000 0.860 381 V CB 1.193 32.959 31.823 -0.095 0.000 0.991 381 V HN 0.577 nan 8.190 nan 0.000 0.427 382 Y N 5.055 125.388 120.300 0.054 0.000 2.320 382 Y HA 0.704 5.254 4.550 -0.000 0.000 0.324 382 Y C -0.002 175.979 175.900 0.136 0.000 1.190 382 Y CA -0.383 57.745 58.100 0.046 0.000 1.215 382 Y CB 1.304 39.737 38.460 -0.045 0.000 1.221 382 Y HN 0.740 nan 8.280 nan 0.000 0.486 383 Y N -0.073 120.296 120.300 0.114 0.000 2.656 383 Y HA 0.653 5.203 4.550 -0.000 0.000 0.334 383 Y C -2.371 173.594 175.900 0.108 0.000 1.179 383 Y CA -1.789 56.363 58.100 0.087 0.000 1.050 383 Y CB 0.787 39.290 38.460 0.071 0.000 1.308 383 Y HN 0.469 nan 8.280 nan 0.000 0.456 384 L N 3.075 124.372 121.223 0.123 0.000 2.275 384 L HA 0.716 5.056 4.340 -0.000 0.000 0.288 384 L C -0.226 176.855 176.870 0.352 0.000 1.046 384 L CA 0.272 55.187 54.840 0.126 0.000 0.805 384 L CB 1.169 43.337 42.059 0.183 0.000 1.193 384 L HN 0.992 nan 8.230 nan 0.000 0.426 385 T N 2.838 117.505 114.554 0.189 0.000 2.841 385 T HA 0.917 5.266 4.350 -0.000 0.000 0.276 385 T C -0.573 174.216 174.700 0.147 0.000 1.003 385 T CA -1.023 61.246 62.100 0.281 0.000 0.995 385 T CB 1.768 70.780 68.868 0.240 0.000 1.260 385 T HN 0.701 nan 8.240 nan 0.000 0.581 386 R N -0.866 119.661 120.500 0.046 0.000 2.712 386 R HA 0.460 4.800 4.340 -0.000 0.000 0.272 386 R C -1.772 174.370 176.300 -0.263 0.000 1.032 386 R CA -1.000 55.031 56.100 -0.115 0.000 0.874 386 R CB 0.619 30.796 30.300 -0.205 0.000 1.256 386 R HN 0.598 nan 8.270 nan 0.000 0.468 387 D N 2.120 122.364 120.400 -0.261 0.000 2.472 387 D HA 0.024 4.664 4.640 -0.000 0.000 0.248 387 D C -1.310 174.638 176.300 -0.587 0.000 1.174 387 D CA -1.065 52.731 54.000 -0.341 0.000 0.883 387 D CB 1.156 41.833 40.800 -0.205 0.000 1.149 387 D HN 0.340 nan 8.370 nan 0.000 0.488 388 P HA -0.001 nan 4.420 nan 0.000 0.245 388 P C 1.133 178.112 177.300 -0.535 0.000 1.212 388 P CA 0.142 62.594 63.100 -1.079 0.000 0.774 388 P CB 0.285 31.253 31.700 -1.221 0.000 0.999 389 T N -0.180 114.169 114.554 -0.342 0.000 2.622 389 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 389 T C 1.759 176.380 174.700 -0.132 0.000 1.047 389 T CA 2.373 64.361 62.100 -0.186 0.000 1.159 389 T CB -1.057 67.741 68.868 -0.118 0.000 0.863 389 T HN 0.196 nan 8.240 nan 0.000 0.422 390 T N 2.279 116.761 114.554 -0.120 0.000 2.674 390 T HA -0.055 4.295 4.350 -0.000 0.000 0.265 390 T C -0.561 174.090 174.700 -0.082 0.000 1.039 390 T CA 1.232 63.293 62.100 -0.065 0.000 1.150 390 T CB -1.286 67.573 68.868 -0.014 0.000 0.864 390 T HN 0.326 nan 8.240 nan 0.000 0.427 391 P HA -0.049 nan 4.420 nan 0.000 0.217 391 P C 1.505 178.819 177.300 0.024 0.000 1.151 391 P CA 1.023 64.099 63.100 -0.039 0.000 0.849 391 P CB -0.224 31.403 31.700 -0.123 0.000 0.787 392 L N -1.382 119.812 121.223 -0.049 0.000 2.072 392 L HA -0.107 4.232 4.340 -0.000 0.000 0.205 392 L C 2.523 179.434 176.870 0.069 0.000 1.079 392 L CA 1.469 56.315 54.840 0.011 0.000 0.752 392 L CB -1.213 40.809 42.059 -0.062 0.000 0.906 392 L HN -0.060 nan 8.230 nan 0.000 0.436 393 A N 0.388 123.234 122.820 0.042 0.000 1.908 393 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 393 A C 2.363 180.028 177.584 0.136 0.000 1.181 393 A CA 1.590 53.679 52.037 0.087 0.000 0.627 393 A CB -0.443 18.584 19.000 0.044 0.000 0.818 393 A HN 0.355 nan 8.150 nan 0.000 0.445 394 R N -0.702 119.846 120.500 0.079 0.000 2.119 394 R HA 0.107 4.447 4.340 -0.000 0.000 0.222 394 R C 2.411 178.868 176.300 0.261 0.000 1.088 394 R CA 0.874 57.035 56.100 0.101 0.000 0.984 394 R CB -0.380 29.907 30.300 -0.022 0.000 0.884 394 R HN 0.483 nan 8.270 nan 0.000 0.447 395 A N 1.496 124.490 122.820 0.290 0.000 1.933 395 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 395 A C 2.342 180.175 177.584 0.416 0.000 1.175 395 A CA 1.719 54.034 52.037 0.464 0.000 0.628 395 A CB -0.504 18.785 19.000 0.482 0.000 0.814 395 A HN 0.376 nan 8.150 nan 0.000 0.444 396 A N -1.451 121.540 122.820 0.285 0.000 1.872 396 A HA -0.118 4.202 4.320 -0.000 0.000 0.214 396 A C 2.088 179.827 177.584 0.258 0.000 1.187 396 A CA 1.182 53.354 52.037 0.225 0.000 0.614 396 A CB -0.865 18.242 19.000 0.178 0.000 0.826 396 A HN 0.788 nan 8.150 nan 0.000 0.442 397 W N 1.117 122.482 121.300 0.109 0.000 2.317 397 W HA -0.198 4.462 4.660 -0.000 0.000 0.318 397 W C 1.757 178.347 176.519 0.119 0.000 1.227 397 W CA 2.204 59.602 57.345 0.089 0.000 1.269 397 W CB -0.345 29.142 29.460 0.044 0.000 1.155 397 W HN 0.551 nan 8.180 nan 0.000 0.484 398 E N -1.060 119.412 120.200 0.454 0.000 2.347 398 E HA -0.119 4.231 4.350 -0.000 0.000 0.196 398 E C 1.943 178.728 176.600 0.308 0.000 1.008 398 E CA 1.404 58.033 56.400 0.382 0.000 0.852 398 E CB -0.164 29.794 29.700 0.430 0.000 0.783 398 E HN 0.128 nan 8.360 nan 0.000 0.505 399 T N 0.717 115.443 114.554 0.288 0.000 2.777 399 T HA -0.118 4.231 4.350 -0.000 0.000 0.266 399 T C 1.890 176.641 174.700 0.085 0.000 1.040 399 T CA 1.309 63.509 62.100 0.168 0.000 1.141 399 T CB -0.040 68.933 68.868 0.175 0.000 0.868 399 T HN 0.219 nan 8.240 nan 0.000 0.444 400 A N 0.484 123.331 122.820 0.044 0.000 2.238 400 A HA 0.287 4.607 4.320 -0.000 0.000 0.210 400 A C 1.118 178.671 177.584 -0.052 0.000 1.179 400 A CA 0.116 52.132 52.037 -0.034 0.000 0.827 400 A CB 0.214 19.148 19.000 -0.111 0.000 0.856 400 A HN 0.228 nan 8.150 nan 0.000 0.488 401 R N -2.062 118.441 120.500 0.004 0.000 2.799 401 R HA 0.269 4.609 4.340 -0.000 0.000 0.270 401 R C 0.573 176.964 176.300 0.151 0.000 1.010 401 R CA -0.591 55.541 56.100 0.053 0.000 0.916 401 R CB 0.625 30.923 30.300 -0.003 0.000 1.228 401 R HN 0.511 nan 8.270 nan 0.000 0.469 402 H N 1.627 120.750 119.070 0.087 0.000 2.253 402 H HA -0.082 4.474 4.556 -0.000 0.000 0.296 402 H C -0.589 174.807 175.328 0.113 0.000 1.067 402 H CA 2.366 58.467 56.048 0.088 0.000 1.245 402 H CB 0.245 30.041 29.762 0.057 0.000 1.364 402 H HN 0.616 nan 8.280 nan 0.000 0.494 403 T N 2.156 116.563 114.554 -0.244 0.000 0.844 403 T HA -0.067 4.282 4.350 -0.000 0.000 0.740 403 T C -2.107 172.254 174.700 -0.565 0.000 0.987 403 T CA 0.353 62.299 62.100 -0.258 0.000 3.913 403 T CB -0.405 68.463 68.868 -0.001 0.000 2.211 403 T HN 0.484 nan 8.240 nan 0.000 0.385 404 P HA 0.194 nan 4.420 nan 0.000 0.237 404 P C 0.660 177.847 177.300 -0.188 0.000 1.178 404 P CA 0.202 63.121 63.100 -0.300 0.000 0.766 404 P CB 0.366 31.952 31.700 -0.189 0.000 0.876 405 V N 1.302 121.121 119.914 -0.159 0.000 2.427 405 V HA 0.339 4.459 4.120 -0.000 0.000 0.286 405 V C -0.233 175.775 176.094 -0.144 0.000 1.034 405 V CA -0.816 61.409 62.300 -0.124 0.000 0.893 405 V CB 0.858 32.620 31.823 -0.101 0.000 0.982 405 V HN -0.064 nan 8.190 nan 0.000 0.452 406 N N 4.658 123.231 118.700 -0.211 0.000 3.091 406 N HA 0.092 4.832 4.740 -0.000 0.000 0.255 406 N C 1.323 176.579 175.510 -0.422 0.000 1.204 406 N CA 0.532 53.371 53.050 -0.353 0.000 0.990 406 N CB 1.443 39.566 38.487 -0.607 0.000 1.260 406 N HN 0.903 nan 8.380 nan 0.000 0.502 407 S N 1.206 116.789 115.700 -0.195 0.000 2.402 407 S HA -0.146 4.323 4.470 -0.000 0.000 0.233 407 S C 1.903 176.444 174.600 -0.099 0.000 1.030 407 S CA 0.537 58.663 58.200 -0.123 0.000 1.003 407 S CB -0.444 62.733 63.200 -0.039 0.000 0.813 407 S HN 0.746 nan 8.310 nan 0.000 0.477 408 W N 0.969 122.177 121.300 -0.153 0.000 2.358 408 W HA -0.029 4.631 4.660 -0.000 0.000 0.303 408 W C 1.759 178.145 176.519 -0.222 0.000 1.208 408 W CA 0.572 57.775 57.345 -0.237 0.000 1.274 408 W CB -1.105 27.898 29.460 -0.762 0.000 1.138 408 W HN 0.385 nan 8.180 nan 0.000 0.515 409 L N 2.743 123.289 121.223 -1.127 0.000 2.179 409 L HA 0.217 4.557 4.340 -0.000 0.000 0.208 409 L C 2.634 179.228 176.870 -0.460 0.000 1.096 409 L CA 2.458 56.672 54.840 -1.043 0.000 0.779 409 L CB -1.325 39.810 42.059 -1.541 0.000 0.922 409 L HN 0.054 nan 8.230 nan 0.000 0.443 410 G N -0.556 108.018 108.800 -0.376 0.000 2.418 410 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 410 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 410 G C 1.470 176.302 174.900 -0.114 0.000 1.158 410 G CA 0.702 45.658 45.100 -0.239 0.000 0.771 410 G HN 0.429 nan 8.290 nan 0.000 0.545 411 N N 0.504 119.211 118.700 0.011 0.000 2.188 411 N HA -0.016 4.724 4.740 -0.000 0.000 0.184 411 N C 2.234 177.838 175.510 0.157 0.000 1.018 411 N CA 0.649 53.836 53.050 0.228 0.000 0.858 411 N CB -0.099 38.615 38.487 0.379 0.000 0.989 411 N HN 0.331 nan 8.380 nan 0.000 0.426 412 I N 0.854 121.466 120.570 0.070 0.000 2.315 412 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 412 I C 2.003 178.087 176.117 -0.055 0.000 1.117 412 I CA 0.785 62.107 61.300 0.036 0.000 1.404 412 I CB -0.049 38.032 38.000 0.134 0.000 1.071 412 I HN 0.027 nan 8.210 nan 0.000 0.419 413 I N -0.076 120.444 120.570 -0.084 0.000 2.163 413 I HA -0.303 3.867 4.170 -0.000 0.000 0.240 413 I C 2.528 178.596 176.117 -0.081 0.000 1.081 413 I CA 1.539 62.776 61.300 -0.105 0.000 1.353 413 I CB -0.230 37.687 38.000 -0.138 0.000 1.054 413 I HN 0.147 nan 8.210 nan 0.000 0.407 414 M N -0.967 118.572 119.600 -0.100 0.000 2.175 414 M HA -0.161 4.319 4.480 -0.000 0.000 0.264 414 M C 0.973 177.124 176.300 -0.250 0.000 1.063 414 M CA 1.884 57.085 55.300 -0.165 0.000 1.119 414 M CB -0.156 32.196 32.600 -0.414 0.000 1.377 414 M HN 0.189 nan 8.290 nan 0.000 0.415 415 Y N -0.919 119.365 120.300 -0.026 0.000 2.720 415 Y HA 0.404 4.954 4.550 -0.000 0.000 0.277 415 Y C 1.774 177.445 175.900 -0.381 0.000 1.144 415 Y CA -0.500 57.506 58.100 -0.158 0.000 1.221 415 Y CB -0.324 37.987 38.460 -0.248 0.000 1.163 415 Y HN 0.139 nan 8.280 nan 0.000 0.537 416 A N 1.118 123.743 122.820 -0.326 0.000 1.958 416 A HA -0.184 4.136 4.320 -0.000 0.000 0.221 416 A C -0.454 176.891 177.584 -0.398 0.000 1.178 416 A CA 1.681 53.471 52.037 -0.412 0.000 0.642 416 A CB -1.411 17.244 19.000 -0.575 0.000 0.816 416 A HN 0.296 nan 8.150 nan 0.000 0.453 417 P HA 0.002 nan 4.420 nan 0.000 0.229 417 P C 0.711 177.787 177.300 -0.374 0.000 1.160 417 P CA 1.323 64.231 63.100 -0.319 0.000 0.777 417 P CB -0.479 31.108 31.700 -0.188 0.000 0.814 418 T N -2.668 111.651 114.554 -0.392 0.000 2.918 418 T HA 0.105 4.455 4.350 -0.000 0.000 0.302 418 T C 1.233 175.508 174.700 -0.708 0.000 1.045 418 T CA -0.610 61.176 62.100 -0.523 0.000 1.114 418 T CB 0.535 68.867 68.868 -0.894 0.000 0.965 418 T HN -0.096 nan 8.240 nan 0.000 0.540 419 L N 2.267 122.940 121.223 -0.916 0.000 2.013 419 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 419 L C 2.520 179.057 176.870 -0.555 0.000 1.073 419 L CA 1.946 56.218 54.840 -0.948 0.000 0.753 419 L CB -0.420 40.987 42.059 -1.086 0.000 0.890 419 L HN 0.952 nan 8.230 nan 0.000 0.432 420 W N -0.690 120.388 121.300 -0.370 0.000 2.418 420 W HA 0.016 4.676 4.660 -0.000 0.000 0.292 420 W C 2.118 178.498 176.519 -0.232 0.000 1.213 420 W CA 0.621 57.791 57.345 -0.291 0.000 1.283 420 W CB -1.249 28.070 29.460 -0.236 0.000 1.119 420 W HN 0.251 nan 8.180 nan 0.000 0.542 421 A N 1.750 124.153 122.820 -0.694 0.000 1.969 421 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 421 A C 2.289 179.736 177.584 -0.228 0.000 1.169 421 A CA 1.466 53.256 52.037 -0.411 0.000 0.635 421 A CB -0.670 17.942 19.000 -0.646 0.000 0.810 421 A HN 0.270 nan 8.150 nan 0.000 0.445 422 R N -1.200 119.079 120.500 -0.368 0.000 2.055 422 R HA 0.077 4.416 4.340 -0.000 0.000 0.226 422 R C 2.250 178.387 176.300 -0.271 0.000 1.135 422 R CA 1.500 57.397 56.100 -0.339 0.000 0.959 422 R CB -0.391 29.564 30.300 -0.574 0.000 0.854 422 R HN 0.509 nan 8.270 nan 0.000 0.431 423 M N 0.010 119.322 119.600 -0.480 0.000 2.200 423 M HA -0.057 4.423 4.480 -0.000 0.000 0.265 423 M C 2.058 178.361 176.300 0.005 0.000 1.066 423 M CA 1.588 56.715 55.300 -0.289 0.000 1.127 423 M CB 0.016 32.389 32.600 -0.377 0.000 1.379 423 M HN 0.098 nan 8.290 nan 0.000 0.420 424 I N -0.750 119.660 120.570 -0.267 0.000 2.681 424 I HA -0.128 4.042 4.170 -0.000 0.000 0.247 424 I C 2.067 178.034 176.117 -0.251 0.000 1.091 424 I CA 0.516 61.395 61.300 -0.700 0.000 1.442 424 I CB -0.253 37.222 38.000 -0.874 0.000 1.219 424 I HN 0.137 nan 8.210 nan 0.000 0.451 425 L N 0.078 121.327 121.223 0.043 0.000 2.056 425 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 425 L C 2.630 179.809 176.870 0.516 0.000 1.078 425 L CA 1.494 56.550 54.840 0.360 0.000 0.749 425 L CB -0.392 41.913 42.059 0.411 0.000 0.901 425 L HN 0.276 nan 8.230 nan 0.000 0.433 426 M N -0.929 118.918 119.600 0.412 0.000 2.132 426 M HA -0.155 4.325 4.480 -0.000 0.000 0.263 426 M C 2.299 179.083 176.300 0.806 0.000 1.065 426 M CA 1.808 57.443 55.300 0.558 0.000 1.122 426 M CB -0.506 32.214 32.600 0.200 0.000 1.365 426 M HN 0.242 nan 8.290 nan 0.000 0.411 427 T N -1.162 113.838 114.554 0.743 0.000 2.674 427 T HA -0.224 4.126 4.350 -0.000 0.000 0.265 427 T C 1.728 176.750 174.700 0.536 0.000 1.039 427 T CA 1.470 64.019 62.100 0.749 0.000 1.150 427 T CB -0.674 68.658 68.868 0.775 0.000 0.864 427 T HN 0.504 nan 8.240 nan 0.000 0.427 428 H N -0.181 119.081 119.070 0.320 0.000 2.319 428 H HA -0.089 4.467 4.556 -0.000 0.000 0.299 428 H C 1.913 177.111 175.328 -0.216 0.000 1.092 428 H CA 1.582 57.671 56.048 0.068 0.000 1.302 428 H CB -0.209 29.441 29.762 -0.186 0.000 1.373 428 H HN 0.396 nan 8.280 nan 0.000 0.497 429 F N -0.839 119.038 119.950 -0.122 0.000 2.416 429 F HA -0.016 4.511 4.527 -0.000 0.000 0.296 429 F C 2.084 177.723 175.800 -0.269 0.000 1.099 429 F CA 0.188 57.889 58.000 -0.499 0.000 1.427 429 F CB -0.208 38.177 39.000 -1.026 0.000 1.079 429 F HN 0.080 nan 8.300 nan 0.000 0.536 430 F N -0.637 119.420 119.950 0.179 0.000 2.259 430 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 430 F C 2.686 178.509 175.800 0.039 0.000 1.088 430 F CA 1.275 59.378 58.000 0.172 0.000 1.358 430 F CB -0.779 38.415 39.000 0.323 0.000 1.040 430 F HN -0.135 nan 8.300 nan 0.000 0.505 431 S N 0.366 116.156 115.700 0.150 0.000 2.370 431 S HA -0.181 4.289 4.470 -0.000 0.000 0.226 431 S C 2.077 176.649 174.600 -0.046 0.000 1.033 431 S CA 1.470 59.692 58.200 0.035 0.000 1.011 431 S CB -0.432 62.795 63.200 0.044 0.000 0.852 431 S HN 0.328 nan 8.310 nan 0.000 0.457 432 I N 0.939 121.418 120.570 -0.152 0.000 2.353 432 I HA -0.088 4.082 4.170 -0.000 0.000 0.248 432 I C 2.000 178.058 176.117 -0.098 0.000 1.119 432 I CA 0.810 62.004 61.300 -0.176 0.000 1.417 432 I CB -0.211 37.589 38.000 -0.334 0.000 1.078 432 I HN 0.278 nan 8.210 nan 0.000 0.421 433 L N -0.064 121.104 121.223 -0.092 0.000 2.217 433 L HA -0.142 4.198 4.340 -0.000 0.000 0.211 433 L C 2.415 179.282 176.870 -0.004 0.000 1.107 433 L CA 0.939 55.744 54.840 -0.058 0.000 0.783 433 L CB -0.335 41.645 42.059 -0.132 0.000 0.919 433 L HN 0.271 nan 8.230 nan 0.000 0.442 434 L N -0.486 120.750 121.223 0.021 0.000 2.056 434 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 434 L C 2.841 179.717 176.870 0.010 0.000 1.078 434 L CA 1.154 56.016 54.840 0.035 0.000 0.749 434 L CB -0.545 41.541 42.059 0.045 0.000 0.901 434 L HN 0.224 nan 8.230 nan 0.000 0.433 435 A N -0.551 122.264 122.820 -0.007 0.000 1.841 435 A HA -0.114 4.206 4.320 -0.000 0.000 0.214 435 A C 1.242 178.821 177.584 -0.008 0.000 1.195 435 A CA 0.632 52.662 52.037 -0.012 0.000 0.611 435 A CB -0.503 18.483 19.000 -0.024 0.000 0.835 435 A HN 0.394 nan 8.150 nan 0.000 0.443 436 Q N -0.211 119.582 119.800 -0.011 0.000 2.524 436 Q HA 0.173 4.512 4.340 -0.000 0.000 0.246 436 Q C -0.597 175.407 176.000 0.007 0.000 1.063 436 Q CA 0.195 55.997 55.803 -0.001 0.000 0.945 436 Q CB 0.153 28.891 28.738 -0.001 0.000 1.292 436 Q HN 0.525 nan 8.270 nan 0.000 0.518 437 E N 0.590 120.798 120.200 0.013 0.000 2.320 437 E HA -0.004 4.346 4.350 -0.000 0.000 0.234 437 E C -0.346 176.269 176.600 0.024 0.000 1.290 437 E CA 0.046 56.457 56.400 0.018 0.000 1.545 437 E CB 0.227 29.938 29.700 0.017 0.000 1.379 437 E HN 0.342 nan 8.360 nan 0.000 0.437 438 Q N 0.265 120.079 119.800 0.023 0.000 2.182 438 Q HA 0.203 4.543 4.340 -0.000 0.000 0.270 438 Q C 1.064 177.081 176.000 0.029 0.000 0.861 438 Q CA -0.076 55.745 55.803 0.029 0.000 1.098 438 Q CB 0.580 29.336 28.738 0.030 0.000 1.188 438 Q HN 0.417 nan 8.270 nan 0.000 0.464 439 L N 0.028 121.273 121.223 0.037 0.000 2.156 439 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 439 L C 1.321 178.226 176.870 0.060 0.000 1.095 439 L CA 1.302 56.173 54.840 0.050 0.000 0.770 439 L CB 0.230 42.346 42.059 0.094 0.000 0.914 439 L HN 0.195 nan 8.230 nan 0.000 0.439 440 E N -0.635 119.598 120.200 0.054 0.000 2.481 440 E HA -0.066 4.284 4.350 -0.000 0.000 0.195 440 E C 0.333 176.961 176.600 0.047 0.000 1.047 440 E CA 0.228 56.659 56.400 0.052 0.000 0.867 440 E CB 0.097 29.824 29.700 0.046 0.000 0.858 440 E HN -0.032 nan 8.360 nan 0.000 0.513 441 K N 1.289 121.716 120.400 0.046 0.000 2.284 441 K HA 0.377 4.697 4.320 -0.000 0.000 0.287 441 K C -0.638 175.991 176.600 0.047 0.000 1.081 441 K CA -0.359 55.955 56.287 0.046 0.000 0.910 441 K CB 0.535 33.065 32.500 0.049 0.000 1.088 441 K HN 0.036 nan 8.250 nan 0.000 0.478 442 A N 4.519 127.365 122.820 0.042 0.000 2.531 442 A HA 0.294 4.614 4.320 -0.000 0.000 0.236 442 A C -0.624 176.980 177.584 0.034 0.000 1.062 442 A CA 0.139 52.197 52.037 0.035 0.000 0.760 442 A CB -0.053 18.967 19.000 0.035 0.000 0.995 442 A HN 0.716 nan 8.150 nan 0.000 0.501 443 L N 1.776 123.006 121.223 0.012 0.000 2.386 443 L HA 0.347 4.687 4.340 -0.000 0.000 0.271 443 L C -0.699 176.153 176.870 -0.030 0.000 0.993 443 L CA -0.851 53.985 54.840 -0.007 0.000 0.819 443 L CB 2.055 44.093 42.059 -0.036 0.000 1.294 443 L HN 0.603 nan 8.230 nan 0.000 0.414 444 D N 1.151 121.543 120.400 -0.013 0.000 2.424 444 D HA 0.234 4.874 4.640 -0.000 0.000 0.244 444 D C -0.751 175.509 176.300 -0.067 0.000 1.134 444 D CA 0.288 54.288 54.000 0.001 0.000 0.881 444 D CB 1.265 42.097 40.800 0.054 0.000 1.191 444 D HN 0.378 nan 8.370 nan 0.000 0.445 445 C N 3.820 123.099 119.300 -0.036 0.000 2.705 445 C HA 0.176 4.636 4.460 -0.000 0.000 0.369 445 C C -1.098 173.891 174.990 -0.003 0.000 1.069 445 C CA -0.672 58.289 59.018 -0.095 0.000 1.260 445 C CB 0.797 28.436 27.740 -0.168 0.000 1.764 445 C HN 0.444 nan 8.230 nan 0.000 0.469 446 Q N 5.113 124.885 119.800 -0.047 0.000 2.314 446 Q HA 0.618 4.958 4.340 -0.000 0.000 0.257 446 Q C -0.497 175.463 176.000 -0.067 0.000 0.975 446 Q CA 0.348 56.138 55.803 -0.022 0.000 0.933 446 Q CB 1.042 29.757 28.738 -0.037 0.000 1.195 446 Q HN 0.825 nan 8.270 nan 0.000 0.426 447 I N -0.876 119.681 120.570 -0.022 0.000 2.894 447 I HA 0.292 4.462 4.170 -0.000 0.000 0.302 447 I C -0.552 175.499 176.117 -0.110 0.000 1.188 447 I CA -1.436 59.724 61.300 -0.233 0.000 1.014 447 I CB 1.332 39.039 38.000 -0.487 0.000 1.242 447 I HN 0.537 nan 8.210 nan 0.000 0.430 448 Y N 2.635 122.968 120.300 0.055 0.000 3.007 448 Y HA -0.195 4.355 4.550 -0.000 0.000 0.212 448 Y C 1.506 177.412 175.900 0.010 0.000 1.180 448 Y CA 0.758 58.880 58.100 0.035 0.000 1.076 448 Y CB -1.795 36.696 38.460 0.051 0.000 1.254 448 Y HN 1.178 nan 8.280 nan 0.000 0.534 449 G N -0.909 107.928 108.800 0.060 0.000 2.295 449 G HA2 0.060 4.020 3.960 -0.000 0.000 0.287 449 G HA3 0.060 4.020 3.960 -0.000 0.000 0.287 449 G C 0.008 174.905 174.900 -0.004 0.000 1.055 449 G CA 0.188 45.290 45.100 0.004 0.000 0.922 449 G HN 1.643 nan 8.290 nan 0.000 0.503 450 A N -1.638 121.178 122.820 -0.007 0.000 2.604 450 A HA 0.685 5.005 4.320 -0.000 0.000 0.295 450 A C -0.193 177.284 177.584 -0.178 0.000 1.067 450 A CA 0.115 52.072 52.037 -0.132 0.000 0.683 450 A CB 1.277 20.140 19.000 -0.228 0.000 1.281 450 A HN 1.724 nan 8.150 nan 0.000 0.407 451 C N 2.294 121.435 119.300 -0.264 0.000 2.223 451 C HA 0.748 5.208 4.460 -0.000 0.000 0.324 451 C C -0.972 173.854 174.990 -0.272 0.000 1.196 451 C CA -0.546 58.366 59.018 -0.177 0.000 1.628 451 C CB -1.970 25.693 27.740 -0.128 0.000 2.229 451 C HN 0.568 nan 8.230 nan 0.000 0.486 452 Y N 3.090 123.356 120.300 -0.056 0.000 2.352 452 Y HA 0.390 4.940 4.550 -0.000 0.000 0.326 452 Y C 0.918 176.789 175.900 -0.049 0.000 1.166 452 Y CA -0.070 58.000 58.100 -0.050 0.000 1.182 452 Y CB 1.343 39.769 38.460 -0.056 0.000 1.216 452 Y HN 0.571 nan 8.280 nan 0.000 0.474 453 S N 4.430 120.199 115.700 0.114 0.000 2.464 453 S HA 0.458 4.928 4.470 -0.000 0.000 0.313 453 S C -0.735 173.900 174.600 0.058 0.000 1.078 453 S CA -0.617 57.621 58.200 0.063 0.000 1.096 453 S CB -0.858 62.366 63.200 0.040 0.000 1.032 453 S HN 0.458 nan 8.310 nan 0.000 0.498 454 I N 4.544 125.128 120.570 0.023 0.000 2.321 454 I HA 0.303 4.473 4.170 -0.000 0.000 0.291 454 I C 0.368 176.484 176.117 -0.001 0.000 0.998 454 I CA -0.480 60.816 61.300 -0.006 0.000 1.227 454 I CB 1.232 39.185 38.000 -0.078 0.000 1.368 454 I HN 0.521 nan 8.210 nan 0.000 0.466 455 E N 8.020 128.233 120.200 0.021 0.000 2.180 455 E HA 0.149 4.498 4.350 -0.000 0.000 0.283 455 E C -1.682 174.952 176.600 0.056 0.000 1.061 455 E CA -1.546 54.877 56.400 0.039 0.000 0.861 455 E CB 1.121 30.849 29.700 0.047 0.000 1.056 455 E HN 0.358 nan 8.360 nan 0.000 0.407 456 P HA -0.204 nan 4.420 nan 0.000 0.217 456 P C 1.096 178.540 177.300 0.239 0.000 1.151 456 P CA 1.238 64.399 63.100 0.102 0.000 0.849 456 P CB 0.191 31.885 31.700 -0.010 0.000 0.787 457 L N -1.229 120.110 121.223 0.193 0.000 2.465 457 L HA -0.079 4.261 4.340 -0.000 0.000 0.224 457 L C 1.393 178.343 176.870 0.133 0.000 1.145 457 L CA 0.980 55.939 54.840 0.198 0.000 0.834 457 L CB -0.718 41.427 42.059 0.143 0.000 0.944 457 L HN -0.048 nan 8.230 nan 0.000 0.451 458 D N 0.018 120.480 120.400 0.104 0.000 2.355 458 D HA -0.020 4.620 4.640 -0.000 0.000 0.218 458 D C 2.269 178.609 176.300 0.067 0.000 1.004 458 D CA 0.478 54.516 54.000 0.063 0.000 0.880 458 D CB 0.265 41.090 40.800 0.041 0.000 0.911 458 D HN 0.283 nan 8.370 nan 0.000 0.528 459 L N 0.885 122.179 121.223 0.118 0.000 2.017 459 L HA -0.130 4.209 4.340 -0.000 0.000 0.208 459 L C -0.485 176.451 176.870 0.110 0.000 1.073 459 L CA 1.356 56.272 54.840 0.127 0.000 0.745 459 L CB -1.334 40.866 42.059 0.235 0.000 0.894 459 L HN 0.036 nan 8.230 nan 0.000 0.432 460 P HA -0.220 nan 4.420 nan 0.000 0.216 460 P C 1.372 178.698 177.300 0.043 0.000 1.157 460 P CA 1.404 64.483 63.100 -0.035 0.000 0.880 460 P CB 0.053 31.615 31.700 -0.230 0.000 0.791 461 Q N -1.072 118.727 119.800 -0.002 0.000 2.119 461 Q HA -0.068 4.272 4.340 -0.000 0.000 0.201 461 Q C 2.201 178.221 176.000 0.033 0.000 0.972 461 Q CA 1.172 56.975 55.803 0.000 0.000 0.847 461 Q CB -0.875 27.857 28.738 -0.011 0.000 0.903 461 Q HN 0.254 nan 8.270 nan 0.000 0.433 462 I N -0.136 120.456 120.570 0.036 0.000 2.142 462 I HA -0.290 3.880 4.170 -0.000 0.000 0.240 462 I C 1.944 178.089 176.117 0.046 0.000 1.078 462 I CA 1.216 62.529 61.300 0.020 0.000 1.343 462 I CB -0.289 37.704 38.000 -0.011 0.000 1.046 462 I HN 0.189 nan 8.210 nan 0.000 0.405 463 I N 0.396 121.010 120.570 0.073 0.000 2.226 463 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 463 I C 2.649 178.768 176.117 0.003 0.000 1.100 463 I CA 1.473 62.784 61.300 0.019 0.000 1.374 463 I CB -0.409 37.608 38.000 0.028 0.000 1.057 463 I HN 0.322 nan 8.210 nan 0.000 0.413 464 E N 1.213 121.466 120.200 0.088 0.000 2.051 464 E HA -0.290 4.060 4.350 -0.000 0.000 0.192 464 E C 2.398 179.017 176.600 0.032 0.000 0.991 464 E CA 1.288 57.721 56.400 0.056 0.000 0.799 464 E CB -0.016 29.751 29.700 0.113 0.000 0.748 464 E HN 0.312 nan 8.360 nan 0.000 0.449 465 R N 0.048 120.570 120.500 0.036 0.000 2.081 465 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 465 R C 2.531 178.844 176.300 0.021 0.000 1.131 465 R CA 1.295 57.408 56.100 0.022 0.000 0.960 465 R CB -0.224 30.086 30.300 0.017 0.000 0.856 465 R HN 0.230 nan 8.270 nan 0.000 0.436 466 L N -0.463 120.796 121.223 0.060 0.000 2.109 466 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 466 L C 1.498 178.345 176.870 -0.038 0.000 1.086 466 L CA 1.830 56.706 54.840 0.059 0.000 0.760 466 L CB -0.102 42.079 42.059 0.203 0.000 0.910 466 L HN 0.285 nan 8.230 nan 0.000 0.437 467 H N -1.902 117.116 119.070 -0.087 0.000 3.091 467 H HA 0.443 4.999 4.556 -0.000 0.000 0.249 467 H C 0.840 176.099 175.328 -0.116 0.000 0.985 467 H CA 0.391 56.376 56.048 -0.106 0.000 1.177 467 H CB 0.826 30.494 29.762 -0.158 0.000 1.456 467 H HN 0.298 nan 8.280 nan 0.000 0.467 468 G N 0.852 109.649 108.800 -0.005 0.000 2.619 468 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.686 468 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.686 468 G C 0.426 175.261 174.900 -0.109 0.000 1.256 468 G CA -0.301 44.778 45.100 -0.034 0.000 0.826 468 G HN 0.159 nan 8.290 nan 0.000 0.619 469 L N 0.510 121.717 121.223 -0.027 0.000 2.349 469 L HA -0.109 4.231 4.340 -0.000 0.000 0.220 469 L C 2.936 179.790 176.870 -0.027 0.000 1.130 469 L CA 1.808 56.672 54.840 0.039 0.000 0.791 469 L CB -0.341 41.802 42.059 0.139 0.000 0.918 469 L HN 0.609 nan 8.230 nan 0.000 0.444 470 S N -0.156 115.503 115.700 -0.069 0.000 2.442 470 S HA -0.127 4.342 4.470 -0.000 0.000 0.236 470 S C 2.177 176.682 174.600 -0.158 0.000 1.007 470 S CA 0.946 59.107 58.200 -0.064 0.000 0.965 470 S CB -0.187 62.985 63.200 -0.047 0.000 0.773 470 S HN 0.539 nan 8.310 nan 0.000 0.504 471 A N 0.585 123.194 122.820 -0.352 0.000 2.070 471 A HA 0.024 4.344 4.320 -0.000 0.000 0.220 471 A C 1.504 178.840 177.584 -0.413 0.000 1.159 471 A CA 0.960 52.713 52.037 -0.473 0.000 0.656 471 A CB -0.710 17.883 19.000 -0.679 0.000 0.800 471 A HN 0.593 nan 8.150 nan 0.000 0.453 472 F N -0.642 119.324 119.950 0.026 0.000 2.776 472 F HA 0.092 4.619 4.527 -0.000 0.000 0.300 472 F C 1.525 177.372 175.800 0.078 0.000 1.116 472 F CA 0.491 58.535 58.000 0.074 0.000 1.375 472 F CB 0.486 39.580 39.000 0.156 0.000 1.109 472 F HN 0.111 nan 8.300 nan 0.000 0.585 473 S N -0.098 115.688 115.700 0.144 0.000 2.701 473 S HA 0.296 4.766 4.470 -0.000 0.000 0.242 473 S C 0.358 175.014 174.600 0.094 0.000 1.025 473 S CA -0.349 57.916 58.200 0.108 0.000 1.016 473 S CB 0.102 63.353 63.200 0.085 0.000 0.977 473 S HN 0.047 nan 8.310 nan 0.000 0.546 474 L N 4.650 125.880 121.223 0.012 0.000 2.456 474 L HA 0.300 4.640 4.340 -0.000 0.000 0.272 474 L C 0.633 177.471 176.870 -0.053 0.000 1.189 474 L CA 0.267 55.042 54.840 -0.109 0.000 0.846 474 L CB 0.047 41.874 42.059 -0.386 0.000 1.111 474 L HN 0.500 nan 8.230 nan 0.000 0.475 475 H N -0.107 118.749 119.070 -0.356 0.000 2.960 475 H HA 0.281 4.837 4.556 -0.000 0.000 0.323 475 H C -0.311 174.828 175.328 -0.315 0.000 1.326 475 H CA -1.285 54.614 56.048 -0.249 0.000 1.124 475 H CB 1.314 31.058 29.762 -0.031 0.000 1.853 475 H HN 0.459 nan 8.280 nan 0.000 0.536 476 S N -0.250 115.336 115.700 -0.190 0.000 3.697 476 S HA -0.197 4.273 4.470 -0.000 0.000 0.388 476 S C -0.461 173.977 174.600 -0.269 0.000 0.941 476 S CA 0.395 58.498 58.200 -0.162 0.000 1.247 476 S CB -2.524 60.603 63.200 -0.122 0.000 0.904 476 S HN 0.503 nan 8.310 nan 0.000 0.518 477 Y N 1.772 122.021 120.300 -0.086 0.000 2.385 477 Y HA 0.299 4.849 4.550 -0.000 0.000 0.346 477 Y C 1.411 177.288 175.900 -0.039 0.000 1.270 477 Y CA 0.471 58.535 58.100 -0.060 0.000 1.472 477 Y CB 0.394 38.843 38.460 -0.018 0.000 1.354 477 Y HN 0.524 nan 8.280 nan 0.000 0.611 478 S N 2.321 118.122 115.700 0.168 0.000 2.576 478 S HA 0.130 4.600 4.470 -0.000 0.000 0.276 478 S C -1.835 172.814 174.600 0.082 0.000 1.339 478 S CA -1.170 57.074 58.200 0.074 0.000 1.039 478 S CB 1.222 64.453 63.200 0.051 0.000 0.902 478 S HN 0.479 nan 8.310 nan 0.000 0.516 479 P HA -0.023 nan 4.420 nan 0.000 0.215 479 P C 1.709 179.032 177.300 0.038 0.000 1.153 479 P CA 1.789 64.918 63.100 0.048 0.000 0.853 479 P CB -0.654 31.069 31.700 0.038 0.000 0.788 480 G N 0.313 109.130 108.800 0.029 0.000 2.440 480 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.218 480 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.218 480 G C 1.705 176.618 174.900 0.021 0.000 1.154 480 G CA 1.147 46.257 45.100 0.017 0.000 0.767 480 G HN 0.302 nan 8.290 nan 0.000 0.552 481 E N 0.671 120.897 120.200 0.044 0.000 2.028 481 E HA -0.054 4.296 4.350 -0.000 0.000 0.191 481 E C 2.441 179.062 176.600 0.036 0.000 0.988 481 E CA 0.841 57.275 56.400 0.057 0.000 0.799 481 E CB -0.466 29.312 29.700 0.129 0.000 0.755 481 E HN 0.467 nan 8.360 nan 0.000 0.447 482 I N 1.113 121.710 120.570 0.045 0.000 2.151 482 I HA -0.344 3.826 4.170 -0.000 0.000 0.243 482 I C 2.557 178.682 176.117 0.013 0.000 1.080 482 I CA 1.384 62.697 61.300 0.022 0.000 1.339 482 I CB -0.488 37.544 38.000 0.052 0.000 1.039 482 I HN 0.275 nan 8.210 nan 0.000 0.409 483 N N 0.804 119.514 118.700 0.016 0.000 2.069 483 N HA -0.250 4.490 4.740 -0.000 0.000 0.191 483 N C 2.084 177.588 175.510 -0.011 0.000 1.031 483 N CA 1.605 54.659 53.050 0.006 0.000 0.852 483 N CB -0.116 38.376 38.487 0.008 0.000 1.018 483 N HN 0.301 nan 8.380 nan 0.000 0.423 484 R N 0.721 121.210 120.500 -0.019 0.000 2.081 484 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 484 R C 2.156 178.416 176.300 -0.067 0.000 1.131 484 R CA 1.123 57.196 56.100 -0.045 0.000 0.960 484 R CB -0.157 30.111 30.300 -0.053 0.000 0.856 484 R HN 0.012 nan 8.270 nan 0.000 0.436 485 V N 0.960 120.842 119.914 -0.054 0.000 2.270 485 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 485 V C 2.495 178.561 176.094 -0.046 0.000 1.043 485 V CA 1.930 64.190 62.300 -0.068 0.000 1.014 485 V CB -0.798 31.012 31.823 -0.022 0.000 0.645 485 V HN 0.579 nan 8.190 nan 0.000 0.447 486 A N -0.417 122.392 122.820 -0.017 0.000 1.908 486 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 486 A C 2.568 180.145 177.584 -0.012 0.000 1.181 486 A CA 2.478 54.516 52.037 0.002 0.000 0.627 486 A CB -0.813 18.196 19.000 0.015 0.000 0.818 486 A HN 0.534 nan 8.150 nan 0.000 0.445 487 S N -1.512 114.173 115.700 -0.026 0.000 2.406 487 S HA -0.160 4.310 4.470 -0.000 0.000 0.228 487 S C 2.012 176.579 174.600 -0.055 0.000 1.020 487 S CA 1.369 59.549 58.200 -0.033 0.000 0.965 487 S CB -0.925 62.257 63.200 -0.030 0.000 0.798 487 S HN 0.756 nan 8.310 nan 0.000 0.488 488 C N 1.246 120.502 119.300 -0.073 0.000 2.440 488 C HA 0.163 4.623 4.460 -0.000 0.000 0.278 488 C C 2.457 177.394 174.990 -0.088 0.000 1.295 488 C CA 0.598 59.558 59.018 -0.097 0.000 1.738 488 C CB -1.674 25.980 27.740 -0.143 0.000 1.987 488 C HN 0.687 nan 8.230 nan 0.000 0.492 489 L N 0.334 121.522 121.223 -0.058 0.000 2.056 489 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 489 L C 3.033 179.874 176.870 -0.048 0.000 1.078 489 L CA 1.562 56.389 54.840 -0.022 0.000 0.749 489 L CB -0.865 41.224 42.059 0.050 0.000 0.901 489 L HN 0.312 nan 8.230 nan 0.000 0.433 490 R N 0.531 121.001 120.500 -0.050 0.000 2.073 490 R HA -0.193 4.147 4.340 -0.000 0.000 0.234 490 R C 2.378 178.571 176.300 -0.177 0.000 1.134 490 R CA 1.516 57.574 56.100 -0.070 0.000 0.952 490 R CB -0.290 29.991 30.300 -0.032 0.000 0.850 490 R HN 0.272 nan 8.270 nan 0.000 0.433 491 K N 0.975 121.279 120.400 -0.160 0.000 2.113 491 K HA -0.135 4.185 4.320 -0.000 0.000 0.208 491 K C 1.631 178.006 176.600 -0.375 0.000 1.047 491 K CA 1.295 57.462 56.287 -0.201 0.000 0.928 491 K CB 0.056 32.491 32.500 -0.109 0.000 0.716 491 K HN 0.179 nan 8.250 nan 0.000 0.446 492 L N -0.393 120.641 121.223 -0.314 0.000 2.585 492 L HA 0.171 4.511 4.340 -0.000 0.000 0.226 492 L C 0.947 177.638 176.870 -0.299 0.000 1.113 492 L CA 0.481 55.168 54.840 -0.256 0.000 0.876 492 L CB 0.107 42.119 42.059 -0.078 0.000 1.072 492 L HN 0.573 nan 8.230 nan 0.000 0.468 493 G N 1.782 110.335 108.800 -0.413 0.000 2.249 493 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.273 493 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.273 493 G C 0.176 175.138 174.900 0.102 0.000 1.036 493 G CA 0.596 45.728 45.100 0.054 0.000 0.824 493 G HN 0.270 nan 8.290 nan 0.000 0.504 494 V N -0.429 119.527 119.914 0.071 0.000 2.607 494 V HA 0.768 4.888 4.120 -0.000 0.000 0.289 494 V C -1.595 174.617 176.094 0.198 0.000 1.053 494 V CA -2.028 60.371 62.300 0.166 0.000 0.996 494 V CB 1.302 33.239 31.823 0.190 0.000 0.995 494 V HN 0.107 nan 8.190 nan 0.000 0.476 495 P HA 0.248 nan 4.420 nan 0.000 0.267 495 P C -2.626 174.797 177.300 0.205 0.000 1.200 495 P CA -0.953 62.176 63.100 0.048 0.000 0.772 495 P CB -0.260 31.267 31.700 -0.288 0.000 0.855 496 P HA 0.067 nan 4.420 nan 0.000 0.273 496 P C 0.832 178.299 177.300 0.279 0.000 1.250 496 P CA -0.069 63.130 63.100 0.163 0.000 0.793 496 P CB 0.810 32.554 31.700 0.074 0.000 1.011 497 L N 0.163 121.553 121.223 0.278 0.000 2.141 497 L HA -0.150 4.189 4.340 -0.000 0.000 0.209 497 L C 2.914 179.966 176.870 0.304 0.000 1.094 497 L CA 1.423 56.471 54.840 0.345 0.000 0.763 497 L CB -0.801 41.371 42.059 0.188 0.000 0.908 497 L HN 0.466 nan 8.230 nan 0.000 0.437 498 R N 0.134 120.747 120.500 0.187 0.000 2.120 498 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 498 R C 1.903 178.267 176.300 0.107 0.000 1.123 498 R CA 1.589 57.783 56.100 0.157 0.000 0.975 498 R CB -0.942 29.405 30.300 0.078 0.000 0.866 498 R HN 0.187 nan 8.270 nan 0.000 0.446 499 V N 0.576 120.485 119.914 -0.009 0.000 2.307 499 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 499 V C 2.053 178.092 176.094 -0.093 0.000 1.045 499 V CA 1.940 64.143 62.300 -0.162 0.000 1.024 499 V CB -0.770 30.833 31.823 -0.367 0.000 0.651 499 V HN 0.380 nan 8.190 nan 0.000 0.449 500 W N 0.180 121.576 121.300 0.160 0.000 2.342 500 W HA -0.166 4.494 4.660 -0.000 0.000 0.297 500 W C 2.768 179.499 176.519 0.352 0.000 1.213 500 W CA 1.693 59.176 57.345 0.230 0.000 1.251 500 W CB -0.302 29.283 29.460 0.208 0.000 1.136 500 W HN 0.058 nan 8.180 nan 0.000 0.526 501 R N -0.387 120.463 120.500 0.584 0.000 2.081 501 R HA -0.178 4.161 4.340 -0.000 0.000 0.235 501 R C 1.872 178.337 176.300 0.274 0.000 1.131 501 R CA 1.956 58.376 56.100 0.534 0.000 0.960 501 R CB -0.628 29.980 30.300 0.513 0.000 0.856 501 R HN 0.217 nan 8.270 nan 0.000 0.436 502 H N 0.056 119.190 119.070 0.108 0.000 2.293 502 H HA -0.030 4.526 4.556 -0.000 0.000 0.300 502 H C 2.230 177.556 175.328 -0.003 0.000 1.082 502 H CA 2.116 58.177 56.048 0.021 0.000 1.308 502 H CB -0.041 29.715 29.762 -0.010 0.000 1.375 502 H HN 0.165 nan 8.280 nan 0.000 0.495 503 R N -0.164 120.420 120.500 0.140 0.000 2.105 503 R HA -0.101 4.239 4.340 -0.000 0.000 0.239 503 R C 2.402 178.731 176.300 0.048 0.000 1.135 503 R CA 1.120 57.263 56.100 0.071 0.000 0.967 503 R CB -0.221 30.120 30.300 0.069 0.000 0.861 503 R HN 0.312 nan 8.270 nan 0.000 0.442 504 A N 0.676 123.561 122.820 0.108 0.000 1.968 504 A HA -0.100 4.219 4.320 -0.000 0.000 0.217 504 A C 2.023 179.447 177.584 -0.267 0.000 1.169 504 A CA 0.867 52.877 52.037 -0.043 0.000 0.638 504 A CB -0.249 18.839 19.000 0.146 0.000 0.812 504 A HN 0.171 nan 8.150 nan 0.000 0.446 505 R N -0.381 119.999 120.500 -0.200 0.000 2.096 505 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 505 R C 2.636 178.809 176.300 -0.212 0.000 1.127 505 R CA 1.654 57.613 56.100 -0.235 0.000 0.968 505 R CB -0.195 29.967 30.300 -0.231 0.000 0.861 505 R HN 0.616 nan 8.270 nan 0.000 0.440 506 S N -0.340 115.260 115.700 -0.167 0.000 2.377 506 S HA -0.051 4.419 4.470 -0.000 0.000 0.223 506 S C 2.003 176.496 174.600 -0.177 0.000 1.030 506 S CA 0.924 59.041 58.200 -0.138 0.000 0.970 506 S CB -0.085 63.064 63.200 -0.085 0.000 0.830 506 S HN 0.104 nan 8.310 nan 0.000 0.473 507 V N 2.598 122.371 119.914 -0.235 0.000 2.287 507 V HA -0.176 3.943 4.120 -0.000 0.000 0.248 507 V C 2.839 178.659 176.094 -0.457 0.000 1.053 507 V CA 2.354 64.451 62.300 -0.338 0.000 1.027 507 V CB -0.902 30.640 31.823 -0.468 0.000 0.646 507 V HN 0.533 nan 8.190 nan 0.000 0.447 508 R N 0.063 120.236 120.500 -0.545 0.000 2.091 508 R HA -0.177 4.163 4.340 -0.000 0.000 0.238 508 R C 2.292 178.453 176.300 -0.231 0.000 1.136 508 R CA 1.736 57.588 56.100 -0.414 0.000 0.959 508 R CB -0.440 29.657 30.300 -0.337 0.000 0.856 508 R HN 0.500 nan 8.270 nan 0.000 0.437 509 A N 0.531 123.235 122.820 -0.194 0.000 1.898 509 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 509 A C 2.497 180.019 177.584 -0.103 0.000 1.181 509 A CA 1.910 53.869 52.037 -0.131 0.000 0.620 509 A CB -0.814 18.117 19.000 -0.116 0.000 0.819 509 A HN 0.540 nan 8.150 nan 0.000 0.442 510 R N -0.195 120.241 120.500 -0.107 0.000 2.115 510 R HA 0.197 4.537 4.340 -0.000 0.000 0.226 510 R C 2.096 178.368 176.300 -0.048 0.000 1.100 510 R CA 1.425 57.485 56.100 -0.068 0.000 0.980 510 R CB -1.392 28.873 30.300 -0.060 0.000 0.875 510 R HN 0.564 nan 8.270 nan 0.000 0.445 511 L N 0.060 121.243 121.223 -0.066 0.000 2.027 511 L HA -0.067 4.273 4.340 -0.000 0.000 0.206 511 L C 2.767 179.622 176.870 -0.026 0.000 1.074 511 L CA 1.268 56.093 54.840 -0.025 0.000 0.745 511 L CB -0.431 41.603 42.059 -0.042 0.000 0.898 511 L HN 0.274 nan 8.230 nan 0.000 0.433 512 L N -0.375 120.814 121.223 -0.056 0.000 2.042 512 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 512 L C 2.875 179.725 176.870 -0.034 0.000 1.076 512 L CA 1.773 56.584 54.840 -0.048 0.000 0.749 512 L CB -0.552 41.465 42.059 -0.070 0.000 0.893 512 L HN 0.439 nan 8.230 nan 0.000 0.432 513 S N -1.286 114.393 115.700 -0.036 0.000 2.428 513 S HA -0.255 4.215 4.470 -0.000 0.000 0.230 513 S C 1.870 176.462 174.600 -0.013 0.000 1.014 513 S CA 0.929 59.113 58.200 -0.027 0.000 0.957 513 S CB -0.264 62.918 63.200 -0.031 0.000 0.784 513 S HN 0.445 nan 8.310 nan 0.000 0.499 514 Q N 0.745 120.542 119.800 -0.006 0.000 2.436 514 Q HA 0.214 4.554 4.340 -0.000 0.000 0.209 514 Q C 1.546 177.554 176.000 0.013 0.000 0.965 514 Q CA 0.818 56.626 55.803 0.008 0.000 0.910 514 Q CB -0.262 28.488 28.738 0.021 0.000 0.980 514 Q HN 0.819 nan 8.270 nan 0.000 0.491 515 G N -1.675 107.130 108.800 0.008 0.000 3.211 515 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.206 515 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.206 515 G C 0.583 175.492 174.900 0.015 0.000 1.418 515 G CA -0.019 45.085 45.100 0.008 0.000 0.958 515 G HN 0.527 nan 8.290 nan 0.000 0.567 516 G N -0.282 108.533 108.800 0.025 0.000 2.593 516 G HA2 0.393 4.353 3.960 -0.000 0.000 0.212 516 G HA3 0.393 4.353 3.960 -0.000 0.000 0.212 516 G C 1.355 176.279 174.900 0.039 0.000 1.934 516 G CA 0.934 46.051 45.100 0.029 0.000 0.861 516 G HN 0.486 nan 8.290 nan 0.000 0.629 517 R N 0.419 120.948 120.500 0.049 0.000 2.161 517 R HA 0.209 4.549 4.340 -0.000 0.000 0.213 517 R C 2.819 179.168 176.300 0.082 0.000 1.055 517 R CA 0.748 56.884 56.100 0.061 0.000 0.996 517 R CB -0.185 30.152 30.300 0.062 0.000 0.901 517 R HN 0.337 nan 8.270 nan 0.000 0.456 518 A N 1.762 124.633 122.820 0.086 0.000 1.883 518 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 518 A C 2.383 180.009 177.584 0.068 0.000 1.186 518 A CA 1.920 54.020 52.037 0.105 0.000 0.624 518 A CB -0.600 18.455 19.000 0.092 0.000 0.822 518 A HN 0.363 nan 8.150 nan 0.000 0.444 519 A N -1.430 121.414 122.820 0.040 0.000 1.972 519 A HA -0.052 4.267 4.320 -0.000 0.000 0.219 519 A C 2.257 179.852 177.584 0.019 0.000 1.169 519 A CA 2.176 54.221 52.037 0.013 0.000 0.635 519 A CB -1.163 17.838 19.000 0.001 0.000 0.810 519 A HN 0.434 nan 8.150 nan 0.000 0.446 520 T N -0.914 113.672 114.554 0.054 0.000 2.746 520 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 520 T C 1.875 176.639 174.700 0.106 0.000 1.039 520 T CA 1.586 63.751 62.100 0.109 0.000 1.142 520 T CB -0.619 68.312 68.868 0.105 0.000 0.866 520 T HN 0.584 nan 8.240 nan 0.000 0.444 521 C N 1.186 120.520 119.300 0.056 0.000 2.413 521 C HA 0.012 4.472 4.460 -0.000 0.000 0.276 521 C C 3.048 178.040 174.990 0.002 0.000 1.248 521 C CA 0.634 59.648 59.018 -0.006 0.000 1.742 521 C CB -1.457 26.282 27.740 -0.003 0.000 2.017 521 C HN 0.736 nan 8.230 nan 0.000 0.481 522 G N -0.192 108.620 108.800 0.021 0.000 2.402 522 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 522 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 522 G C 1.618 176.503 174.900 -0.025 0.000 1.162 522 G CA 0.961 46.078 45.100 0.029 0.000 0.777 522 G HN 0.617 nan 8.290 nan 0.000 0.539 523 K N -0.620 119.715 120.400 -0.108 0.000 1.978 523 K HA -0.118 4.202 4.320 -0.000 0.000 0.214 523 K C 2.254 178.639 176.600 -0.358 0.000 1.049 523 K CA 1.475 57.599 56.287 -0.271 0.000 0.939 523 K CB -0.361 31.907 32.500 -0.387 0.000 0.721 523 K HN 0.394 nan 8.250 nan 0.000 0.441 524 Y N 0.890 121.025 120.300 -0.276 0.000 2.184 524 Y HA -0.107 4.443 4.550 -0.000 0.000 0.290 524 Y C 2.130 177.747 175.900 -0.472 0.000 1.129 524 Y CA 1.109 58.883 58.100 -0.542 0.000 1.144 524 Y CB -0.088 37.782 38.460 -0.984 0.000 0.995 524 Y HN 0.026 nan 8.280 nan 0.000 0.513 525 L N -1.969 119.102 121.223 -0.253 0.000 2.217 525 L HA -0.112 4.228 4.340 -0.000 0.000 0.211 525 L C 0.648 177.265 176.870 -0.422 0.000 1.107 525 L CA 1.243 55.879 54.840 -0.339 0.000 0.783 525 L CB -0.286 41.369 42.059 -0.673 0.000 0.919 525 L HN 0.203 nan 8.230 nan 0.000 0.442 526 F N -1.755 118.124 119.950 -0.118 0.000 2.775 526 F HA 0.181 4.708 4.527 -0.000 0.000 0.313 526 F C 1.735 177.225 175.800 -0.516 0.000 1.121 526 F CA -0.315 57.429 58.000 -0.426 0.000 1.206 526 F CB -0.355 38.395 39.000 -0.415 0.000 1.052 526 F HN -0.000 nan 8.300 nan 0.000 0.524 527 N N 1.638 120.261 118.700 -0.129 0.000 2.272 527 N HA -0.193 4.547 4.740 -0.000 0.000 0.185 527 N C 1.974 177.452 175.510 -0.054 0.000 1.014 527 N CA 1.864 54.850 53.050 -0.107 0.000 0.870 527 N CB -0.135 38.313 38.487 -0.064 0.000 0.975 527 N HN 0.635 nan 8.380 nan 0.000 0.433 528 W N 0.592 121.924 121.300 0.053 0.000 2.350 528 W HA -0.040 4.620 4.660 -0.000 0.000 0.289 528 W C 1.697 178.263 176.519 0.079 0.000 1.215 528 W CA 0.829 58.214 57.345 0.066 0.000 1.236 528 W CB -0.903 28.609 29.460 0.088 0.000 1.130 528 W HN 0.017 nan 8.180 nan 0.000 0.541 529 A N 1.152 123.544 122.820 -0.713 0.000 1.968 529 A HA 0.133 4.452 4.320 -0.000 0.000 0.217 529 A C 1.078 178.515 177.584 -0.245 0.000 1.169 529 A CA 1.008 52.657 52.037 -0.647 0.000 0.638 529 A CB -0.728 17.626 19.000 -1.077 0.000 0.812 529 A HN 0.026 nan 8.150 nan 0.000 0.446 530 V N 1.992 121.777 119.914 -0.214 0.000 2.333 530 V HA 0.189 4.308 4.120 -0.000 0.000 0.274 530 V C 0.065 176.113 176.094 -0.077 0.000 1.028 530 V CA -0.954 61.263 62.300 -0.138 0.000 0.851 530 V CB 0.677 32.410 31.823 -0.151 0.000 1.000 530 V HN 0.452 nan 8.190 nan 0.000 0.456 531 K N 0.000 120.372 120.400 -0.046 0.000 2.780 531 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 531 K CA 0.000 56.271 56.287 -0.027 0.000 0.838 531 K CB 0.000 32.488 32.500 -0.019 0.000 1.064 531 K HN 0.000 nan 8.250 nan 0.000 0.543