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 2v3v_1_A DATA FIRST_RESID 3 DATA SEQUENCE NRPEKWVKGV CRYCGTGCGV LVGVKDGKAV AIQGDPNNHN AGLLCLKGSL DATA SEQUENCE LIPVLNSKER VTQPLVRRHK GGKLEPVSWD EALDLMASRF RSSIDMYGPN DATA SEQUENCE SVAWYGSGQC LTEESYVANK IFKGGFGTNN VDGNPRLCMA SAVGGYVTSF DATA SEQUENCE GKDEPMGTYA DIDQATCFFI IGSNTSEAHP VLFRRIARRK QVEPGVKIIV DATA SEQUENCE ADPRRTNTSR IADMHVAFRP GTDLAFMHSM AWVIINEELD NPRFWQRYVN DATA SEQUENCE FMDAEGKPSD FEGYKAFLEN YRPEKVAEIC RVPVEQIYGA ARAFAESAAT DATA SEQUENCE MSLWCMGINQ RVQGVFANNL IHNLHLITGQ ICRPGATSFS LTGQPNACGG DATA SEQUENCE VRDGGALSHL LPAGRAIPNA KHRAEMEKLW GLPEGRIAPE PGYHTVALFE DATA SEQUENCE ALGRGDVKCM IICETNPAHT LPNLNKVHKA MSHPESFIVC IEAFPDAVTL DATA SEQUENCE EYADLVLPPA FWCERDGVYG CGERRYSLTE KAVDPPGQCR PTVNTLVEFA DATA SEQUENCE RRAGVDPQLV NFRNAEDVWN EWRMVSKGTT YDFWGMTRER LRKESGLIWP DATA SEQUENCE CPSEDHPGTS LRYVRGQDPC VPADHPDRFF FYGKPDGRAV IWMRPAKGAA DATA SEQUENCE EEPDAEYPLY LTSMRVIDHW HTATMTGKVP ELQKANPIAF VEINEEDAAR DATA SEQUENCE TGIKHGDSVI VETRRDAMEL PARVSDVCRP GLIAVPFFDP KKLVNKLFLD DATA SEQUENCE ATDPVSREPE YKICAARVRK A 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.497 175.510 -0.022 0.000 1.280 3 N CA 0.000 53.045 53.050 -0.008 0.000 0.885 3 N CB 0.000 38.482 38.487 -0.008 0.000 1.341 4 R N -0.749 119.737 120.500 -0.023 0.000 1.799 4 R HA 0.612 4.952 4.340 0.001 0.000 0.119 4 R C -2.147 174.087 176.300 -0.110 0.000 1.882 4 R CA -0.387 55.677 56.100 -0.059 0.000 1.770 4 R CB -1.111 29.160 30.300 -0.049 0.000 1.326 4 R HN 0.459 nan 8.270 nan 0.000 0.521 5 P HA 0.020 nan 4.420 nan 0.000 0.271 5 P C -0.568 176.582 177.300 -0.251 0.000 1.220 5 P CA 0.162 63.036 63.100 -0.376 0.000 0.768 5 P CB 0.892 32.053 31.700 -0.899 0.000 0.848 6 E N 2.490 122.556 120.200 -0.225 0.000 2.447 6 E HA 0.043 4.394 4.350 0.001 0.000 0.195 6 E C 0.125 176.642 176.600 -0.138 0.000 1.028 6 E CA 0.323 56.645 56.400 -0.130 0.000 0.876 6 E CB 0.383 30.028 29.700 -0.092 0.000 0.885 6 E HN 0.304 nan 8.360 nan 0.000 0.500 7 K N -0.013 120.218 120.400 -0.281 0.000 2.542 7 K HA 0.332 4.652 4.320 0.001 0.000 0.259 7 K C -2.273 174.089 176.600 -0.397 0.000 0.932 7 K CA -0.613 55.551 56.287 -0.204 0.000 0.820 7 K CB 1.599 34.016 32.500 -0.138 0.000 1.345 7 K HN -0.013 nan 8.250 nan 0.000 0.432 8 W N 2.999 124.273 121.300 -0.045 0.000 2.532 8 W HA 0.478 5.139 4.660 0.001 0.000 0.321 8 W C -0.893 175.586 176.519 -0.066 0.000 1.037 8 W CA -0.745 56.569 57.345 -0.050 0.000 1.220 8 W CB 1.907 31.344 29.460 -0.038 0.000 1.361 8 W HN 0.048 nan 8.180 nan 0.000 0.468 9 V N 3.896 123.873 119.914 0.105 0.000 2.384 9 V HA 0.280 4.400 4.120 0.001 0.000 0.287 9 V C 0.113 176.203 176.094 -0.006 0.000 1.020 9 V CA -1.519 60.780 62.300 -0.001 0.000 0.850 9 V CB 1.165 32.925 31.823 -0.104 0.000 0.987 9 V HN 0.425 nan 8.190 nan 0.000 0.436 10 K N 3.402 123.793 120.400 -0.015 0.000 2.276 10 K HA 0.642 4.963 4.320 0.001 0.000 0.283 10 K C 0.362 176.925 176.600 -0.063 0.000 1.044 10 K CA 0.352 56.629 56.287 -0.017 0.000 0.944 10 K CB 0.995 33.487 32.500 -0.014 0.000 1.012 10 K HN 0.917 nan 8.250 nan 0.000 0.472 11 G N 1.620 110.399 108.800 -0.035 0.000 2.694 11 G HA2 0.438 4.398 3.960 0.001 0.000 0.246 11 G HA3 0.438 4.398 3.960 0.001 0.000 0.246 11 G C -1.624 173.311 174.900 0.059 0.000 1.205 11 G CA -0.530 44.544 45.100 -0.042 0.000 0.891 11 G HN 0.462 nan 8.290 nan 0.000 0.515 12 V N -0.192 119.808 119.914 0.143 0.000 2.841 12 V HA 0.434 4.555 4.120 0.001 0.000 0.310 12 V C 0.299 176.599 176.094 0.343 0.000 1.090 12 V CA -0.910 61.527 62.300 0.229 0.000 0.930 12 V CB 1.383 33.373 31.823 0.277 0.000 1.014 12 V HN 1.076 nan 8.190 nan 0.000 0.425 13 C N 3.706 123.120 119.300 0.190 0.000 2.597 13 C HA 0.128 4.588 4.460 0.001 0.000 0.412 13 C C 2.014 176.878 174.990 -0.209 0.000 1.348 13 C CA 0.246 59.248 59.018 -0.026 0.000 1.769 13 C CB 0.043 27.754 27.740 -0.049 0.000 2.641 13 C HN 1.016 nan 8.230 nan 0.000 0.612 14 R N 2.708 122.716 120.500 -0.821 0.000 2.307 14 R HA 0.147 4.488 4.340 0.001 0.000 0.199 14 R C 0.271 175.982 176.300 -0.982 0.000 1.000 14 R CA 1.310 56.807 56.100 -1.005 0.000 1.023 14 R CB -0.455 28.803 30.300 -1.738 0.000 0.908 14 R HN 0.911 nan 8.270 nan 0.000 0.473 15 Y N -1.409 118.472 120.300 -0.699 0.000 3.155 15 Y HA 0.169 4.719 4.550 0.001 0.000 0.362 15 Y C 1.439 176.918 175.900 -0.700 0.000 1.103 15 Y CA -0.551 56.868 58.100 -1.135 0.000 1.328 15 Y CB -0.671 37.256 38.460 -0.888 0.000 1.195 15 Y HN 0.017 nan 8.280 nan 0.000 0.801 16 C N 0.849 120.097 119.300 -0.086 0.000 2.705 16 C HA 0.378 4.839 4.460 0.001 0.000 0.365 16 C C 1.991 177.090 174.990 0.182 0.000 1.353 16 C CA -0.280 58.852 59.018 0.189 0.000 2.339 16 C CB -0.207 27.604 27.740 0.118 0.000 2.576 16 C HN 0.906 nan 8.230 nan 0.000 0.716 17 G N 0.499 109.470 108.800 0.285 0.000 2.708 17 G HA2 0.021 3.981 3.960 0.001 0.000 0.210 17 G HA3 0.021 3.981 3.960 0.001 0.000 0.210 17 G C 1.157 176.288 174.900 0.385 0.000 1.141 17 G CA 0.983 46.268 45.100 0.308 0.000 0.788 17 G HN 0.903 nan 8.290 nan 0.000 0.531 18 T N 0.725 115.503 114.554 0.375 0.000 2.759 18 T HA 0.077 4.427 4.350 0.001 0.000 0.269 18 T C 1.989 176.944 174.700 0.425 0.000 1.042 18 T CA 1.557 63.836 62.100 0.299 0.000 1.140 18 T CB -0.407 68.567 68.868 0.177 0.000 0.864 18 T HN 1.104 nan 8.240 nan 0.000 0.455 19 G N 0.688 109.683 108.800 0.326 0.000 2.256 19 G HA2 -0.270 3.691 3.960 0.001 0.000 0.272 19 G HA3 -0.270 3.691 3.960 0.001 0.000 0.272 19 G C 0.216 175.338 174.900 0.371 0.000 1.076 19 G CA -0.182 45.129 45.100 0.352 0.000 0.882 19 G HN 0.650 nan 8.290 nan 0.000 0.497 20 C N 0.916 120.325 119.300 0.182 0.000 2.638 20 C HA 0.505 4.966 4.460 0.001 0.000 0.410 20 C C 1.747 176.759 174.990 0.036 0.000 1.404 20 C CA 0.142 59.159 59.018 -0.001 0.000 1.651 20 C CB -0.379 27.352 27.740 -0.014 0.000 2.495 20 C HN 0.945 nan 8.230 nan 0.000 0.606 21 G N 2.875 111.664 108.800 -0.019 0.000 2.483 21 G HA2 0.457 4.417 3.960 0.001 0.000 0.248 21 G HA3 0.457 4.417 3.960 0.001 0.000 0.248 21 G C -0.602 174.316 174.900 0.029 0.000 1.248 21 G CA -0.074 45.044 45.100 0.030 0.000 0.838 21 G HN 0.694 nan 8.290 nan 0.000 0.566 22 V N 1.977 121.932 119.914 0.068 0.000 3.007 22 V HA 0.578 4.699 4.120 0.001 0.000 0.311 22 V C -0.556 175.592 176.094 0.089 0.000 1.120 22 V CA -0.753 61.606 62.300 0.099 0.000 0.980 22 V CB 2.235 34.176 31.823 0.197 0.000 1.033 22 V HN 0.627 nan 8.190 nan 0.000 0.429 23 L N 4.218 125.515 121.223 0.123 0.000 2.372 23 L HA 0.584 4.925 4.340 0.001 0.000 0.274 23 L C -0.804 176.288 176.870 0.370 0.000 0.988 23 L CA -0.764 54.197 54.840 0.202 0.000 0.833 23 L CB 1.904 44.046 42.059 0.140 0.000 1.236 23 L HN 0.295 nan 8.230 nan 0.000 0.410 24 V N 2.255 122.298 119.914 0.216 0.000 2.406 24 V HA 0.404 4.524 4.120 0.001 0.000 0.272 24 V C 0.833 176.888 176.094 -0.067 0.000 1.043 24 V CA -0.383 61.965 62.300 0.081 0.000 0.915 24 V CB 1.346 33.087 31.823 -0.137 0.000 0.988 24 V HN 0.852 nan 8.190 nan 0.000 0.466 25 G N 4.300 112.882 108.800 -0.364 0.000 2.333 25 G HA2 0.531 4.491 3.960 0.001 0.000 0.290 25 G HA3 0.531 4.491 3.960 0.001 0.000 0.290 25 G C -0.391 174.163 174.900 -0.577 0.000 1.150 25 G CA -0.231 44.218 45.100 -1.085 0.000 0.895 25 G HN 0.918 nan 8.290 nan 0.000 0.444 26 V N 0.390 120.003 119.914 -0.503 0.000 2.628 26 V HA 0.960 5.081 4.120 0.001 0.000 0.306 26 V C -0.660 175.279 176.094 -0.258 0.000 1.045 26 V CA -1.484 60.639 62.300 -0.296 0.000 0.905 26 V CB 1.906 33.600 31.823 -0.214 0.000 0.997 26 V HN 0.671 nan 8.190 nan 0.000 0.436 27 K N 2.846 123.139 120.400 -0.178 0.000 2.601 27 K HA 0.486 4.807 4.320 0.001 0.000 0.249 27 K C -0.577 175.968 176.600 -0.093 0.000 0.966 27 K CA 0.120 56.327 56.287 -0.134 0.000 0.827 27 K CB 0.988 33.413 32.500 -0.125 0.000 1.178 27 K HN 0.831 nan 8.250 nan 0.000 0.437 28 D N 3.946 124.299 120.400 -0.079 0.000 2.800 28 D HA -0.172 4.469 4.640 0.001 0.000 0.232 28 D C 0.645 176.912 176.300 -0.055 0.000 1.137 28 D CA 2.124 56.089 54.000 -0.058 0.000 0.718 28 D CB -1.164 39.608 40.800 -0.046 0.000 1.084 28 D HN 1.127 nan 8.370 nan 0.000 0.432 29 G N -1.311 107.448 108.800 -0.068 0.000 2.176 29 G HA2 -0.329 3.632 3.960 0.001 0.000 0.253 29 G HA3 -0.329 3.632 3.960 0.001 0.000 0.253 29 G C 0.222 175.086 174.900 -0.060 0.000 0.979 29 G CA 0.613 45.675 45.100 -0.062 0.000 0.641 29 G HN 0.320 nan 8.290 nan 0.000 0.530 30 K N 0.522 120.883 120.400 -0.065 0.000 2.270 30 K HA 0.757 5.078 4.320 0.001 0.000 0.255 30 K C 0.282 176.835 176.600 -0.079 0.000 0.936 30 K CA -0.023 56.231 56.287 -0.054 0.000 0.809 30 K CB 1.851 34.330 32.500 -0.036 0.000 1.131 30 K HN 0.651 nan 8.250 nan 0.000 0.427 31 A N 2.043 124.825 122.820 -0.063 0.000 2.454 31 A HA 0.278 4.599 4.320 0.001 0.000 0.260 31 A C 1.016 178.568 177.584 -0.053 0.000 1.106 31 A CA -0.230 51.762 52.037 -0.076 0.000 0.780 31 A CB -0.098 18.880 19.000 -0.037 0.000 1.044 31 A HN 0.567 nan 8.150 nan 0.000 0.498 32 V N -0.854 119.002 119.914 -0.096 0.000 3.562 32 V HA 0.677 4.798 4.120 0.001 0.000 0.270 32 V C 0.544 176.614 176.094 -0.040 0.000 1.418 32 V CA 0.753 63.012 62.300 -0.068 0.000 1.033 32 V CB -0.891 30.875 31.823 -0.095 0.000 0.820 32 V HN 1.676 nan 8.190 nan 0.000 0.441 33 A N -0.125 122.659 122.820 -0.060 0.000 2.610 33 A HA 0.889 5.210 4.320 0.001 0.000 0.291 33 A C -1.615 176.047 177.584 0.131 0.000 1.086 33 A CA -0.408 51.653 52.037 0.039 0.000 0.677 33 A CB 2.227 21.259 19.000 0.054 0.000 1.278 33 A HN 0.593 nan 8.150 nan 0.000 0.414 34 I N 0.050 120.777 120.570 0.262 0.000 2.752 34 I HA 0.581 4.752 4.170 0.001 0.000 0.295 34 I C -0.987 175.298 176.117 0.280 0.000 1.219 34 I CA -0.276 61.213 61.300 0.315 0.000 1.030 34 I CB 2.133 40.273 38.000 0.233 0.000 1.259 34 I HN 0.998 nan 8.210 nan 0.000 0.423 35 Q N 5.109 125.045 119.800 0.227 0.000 2.615 35 Q HA 0.658 4.999 4.340 0.001 0.000 0.298 35 Q C -0.843 175.171 176.000 0.023 0.000 1.023 35 Q CA -1.143 54.690 55.803 0.050 0.000 0.768 35 Q CB 1.792 30.460 28.738 -0.117 0.000 1.500 35 Q HN 0.687 nan 8.270 nan 0.000 0.441 36 G N 0.494 109.279 108.800 -0.024 0.000 2.467 36 G HA2 0.185 4.146 3.960 0.001 0.000 0.257 36 G HA3 0.185 4.146 3.960 0.001 0.000 0.257 36 G C -0.669 174.194 174.900 -0.062 0.000 1.227 36 G CA -0.218 44.864 45.100 -0.031 0.000 0.835 36 G HN 0.598 nan 8.290 nan 0.000 0.556 37 D N 2.225 122.597 120.400 -0.047 0.000 2.363 37 D HA 0.113 4.753 4.640 0.001 0.000 0.263 37 D C -0.874 175.383 176.300 -0.072 0.000 1.258 37 D CA -2.056 51.910 54.000 -0.056 0.000 0.907 37 D CB 1.563 42.346 40.800 -0.028 0.000 1.107 37 D HN 0.070 nan 8.370 nan 0.000 0.495 38 P HA -0.075 nan 4.420 nan 0.000 0.230 38 P C 0.438 177.706 177.300 -0.053 0.000 1.158 38 P CA 0.605 63.660 63.100 -0.075 0.000 0.769 38 P CB 0.491 32.139 31.700 -0.088 0.000 0.807 39 N N -1.119 117.555 118.700 -0.043 0.000 2.254 39 N HA 0.031 4.771 4.740 0.001 0.000 0.190 39 N C 0.702 176.211 175.510 -0.002 0.000 1.107 39 N CA 0.059 53.096 53.050 -0.022 0.000 0.869 39 N CB -0.055 38.420 38.487 -0.020 0.000 0.983 39 N HN 0.140 nan 8.380 nan 0.000 0.487 40 N N 0.660 119.351 118.700 -0.015 0.000 2.413 40 N HA -0.018 4.723 4.740 0.001 0.000 0.266 40 N C 1.298 176.798 175.510 -0.016 0.000 1.238 40 N CA -0.082 52.971 53.050 0.005 0.000 0.972 40 N CB 0.764 39.237 38.487 -0.023 0.000 1.210 40 N HN 0.230 nan 8.380 nan 0.000 0.547 41 H N 0.049 119.159 119.070 0.066 0.000 2.457 41 H HA -0.070 4.486 4.556 0.001 0.000 0.297 41 H C 1.112 176.471 175.328 0.051 0.000 1.092 41 H CA 1.932 58.026 56.048 0.077 0.000 1.309 41 H CB -0.231 29.623 29.762 0.153 0.000 1.382 41 H HN 0.527 nan 8.280 nan 0.000 0.535 42 N N 1.439 119.868 118.700 -0.452 0.000 2.521 42 N HA -0.045 4.696 4.740 0.001 0.000 0.188 42 N C 0.803 176.239 175.510 -0.124 0.000 1.146 42 N CA 0.788 53.679 53.050 -0.265 0.000 0.893 42 N CB -0.128 38.162 38.487 -0.328 0.000 0.975 42 N HN 0.664 nan 8.380 nan 0.000 0.451 43 A N 0.059 122.822 122.820 -0.095 0.000 2.640 43 A HA -0.018 4.303 4.320 0.001 0.000 0.300 43 A C 1.363 178.905 177.584 -0.069 0.000 1.499 43 A CA 1.454 53.454 52.037 -0.062 0.000 0.759 43 A CB -2.097 16.879 19.000 -0.039 0.000 1.048 43 A HN 1.407 nan 8.150 nan 0.000 0.450 44 G N -3.500 105.251 108.800 -0.081 0.000 2.179 44 G HA2 -0.071 3.890 3.960 0.001 0.000 0.260 44 G HA3 -0.071 3.890 3.960 0.001 0.000 0.260 44 G C -0.076 174.785 174.900 -0.064 0.000 0.977 44 G CA 0.474 45.528 45.100 -0.076 0.000 0.641 44 G HN 1.450 nan 8.290 nan 0.000 0.533 45 L N 0.659 121.843 121.223 -0.064 0.000 2.307 45 L HA 0.810 5.150 4.340 0.001 0.000 0.282 45 L C 0.488 177.333 176.870 -0.043 0.000 1.051 45 L CA -0.635 54.175 54.840 -0.049 0.000 0.804 45 L CB 1.385 43.415 42.059 -0.048 0.000 1.197 45 L HN 0.204 nan 8.230 nan 0.000 0.431 46 L N 2.418 123.627 121.223 -0.023 0.000 2.350 46 L HA 0.609 4.950 4.340 0.001 0.000 0.260 46 L C 0.043 176.908 176.870 -0.008 0.000 1.015 46 L CA -0.910 53.924 54.840 -0.010 0.000 0.821 46 L CB 2.127 44.191 42.059 0.008 0.000 1.370 46 L HN 0.733 nan 8.230 nan 0.000 0.416 47 C N -0.297 119.000 119.300 -0.006 0.000 2.517 47 C HA 0.365 4.826 4.460 0.001 0.000 0.357 47 C C 1.658 176.636 174.990 -0.020 0.000 1.485 47 C CA -0.669 58.339 59.018 -0.016 0.000 2.148 47 C CB 0.407 28.133 27.740 -0.024 0.000 2.019 47 C HN 0.858 nan 8.230 nan 0.000 0.576 48 L N 1.114 122.312 121.223 -0.041 0.000 2.093 48 L HA -0.016 4.324 4.340 0.001 0.000 0.208 48 L C 2.690 179.532 176.870 -0.047 0.000 1.085 48 L CA 1.769 56.583 54.840 -0.044 0.000 0.755 48 L CB -0.925 41.095 42.059 -0.064 0.000 0.904 48 L HN 0.795 nan 8.230 nan 0.000 0.435 49 K N -0.795 119.556 120.400 -0.081 0.000 2.009 49 K HA -0.156 4.165 4.320 0.001 0.000 0.210 49 K C 1.991 178.646 176.600 0.092 0.000 1.049 49 K CA 1.437 57.671 56.287 -0.087 0.000 0.929 49 K CB -0.825 31.491 32.500 -0.307 0.000 0.714 49 K HN 0.530 nan 8.250 nan 0.000 0.440 50 G N 0.707 109.557 108.800 0.085 0.000 2.446 50 G HA2 -0.264 3.697 3.960 0.001 0.000 0.217 50 G HA3 -0.264 3.697 3.960 0.001 0.000 0.217 50 G C 1.554 176.484 174.900 0.050 0.000 1.168 50 G CA 1.073 46.210 45.100 0.061 0.000 0.771 50 G HN 0.212 nan 8.290 nan 0.000 0.551 51 S N 0.101 115.826 115.700 0.041 0.000 2.419 51 S HA 0.022 4.493 4.470 0.001 0.000 0.235 51 S C 1.577 176.209 174.600 0.055 0.000 1.019 51 S CA 0.584 58.813 58.200 0.047 0.000 0.982 51 S CB -0.134 63.081 63.200 0.025 0.000 0.789 51 S HN 0.272 nan 8.310 nan 0.000 0.490 52 L N 1.236 122.486 121.223 0.046 0.000 3.034 52 L HA 0.260 4.600 4.340 0.001 0.000 0.245 52 L C 0.711 177.622 176.870 0.068 0.000 1.295 52 L CA -0.176 54.691 54.840 0.046 0.000 1.068 52 L CB 0.307 42.373 42.059 0.011 0.000 1.426 52 L HN 0.188 nan 8.230 nan 0.000 0.531 53 L N 0.108 121.376 121.223 0.075 0.000 2.446 53 L HA 0.059 4.399 4.340 0.001 0.000 0.219 53 L C 2.108 179.084 176.870 0.176 0.000 1.116 53 L CA 1.148 56.014 54.840 0.043 0.000 0.844 53 L CB -0.083 41.895 42.059 -0.135 0.000 0.970 53 L HN 0.209 nan 8.230 nan 0.000 0.457 54 I N 1.305 121.987 120.570 0.186 0.000 2.252 54 I HA -0.118 4.053 4.170 0.001 0.000 0.245 54 I C -0.290 175.923 176.117 0.160 0.000 1.102 54 I CA 1.158 62.576 61.300 0.196 0.000 1.385 54 I CB -2.575 35.507 38.000 0.137 0.000 1.064 54 I HN 0.204 nan 8.210 nan 0.000 0.414 55 P HA -0.048 nan 4.420 nan 0.000 0.222 55 P C 2.063 179.428 177.300 0.108 0.000 1.147 55 P CA 0.955 64.111 63.100 0.093 0.000 0.790 55 P CB 0.088 31.823 31.700 0.059 0.000 0.780 56 V N 0.467 120.460 119.914 0.132 0.000 2.255 56 V HA -0.194 3.926 4.120 0.001 0.000 0.243 56 V C 2.631 178.873 176.094 0.247 0.000 1.038 56 V CA 1.408 63.790 62.300 0.138 0.000 1.008 56 V CB -1.418 30.476 31.823 0.118 0.000 0.645 56 V HN 0.024 nan 8.190 nan 0.000 0.449 57 L N 0.937 122.415 121.223 0.425 0.000 2.129 57 L HA -0.160 4.181 4.340 0.001 0.000 0.212 57 L C 1.821 178.853 176.870 0.270 0.000 1.087 57 L CA 2.002 57.154 54.840 0.520 0.000 0.757 57 L CB -0.748 41.648 42.059 0.561 0.000 0.896 57 L HN 0.336 nan 8.230 nan 0.000 0.434 58 N N -1.159 117.651 118.700 0.185 0.000 2.280 58 N HA 0.047 4.787 4.740 0.001 0.000 0.192 58 N C 0.416 175.980 175.510 0.090 0.000 1.109 58 N CA 0.335 53.453 53.050 0.114 0.000 0.855 58 N CB 0.041 38.580 38.487 0.086 0.000 0.974 58 N HN 0.262 nan 8.380 nan 0.000 0.482 59 S N 0.863 116.627 115.700 0.107 0.000 2.558 59 S HA 0.017 4.488 4.470 0.001 0.000 0.288 59 S C 1.261 175.900 174.600 0.065 0.000 1.318 59 S CA 0.006 58.265 58.200 0.098 0.000 1.056 59 S CB 0.587 63.882 63.200 0.158 0.000 0.853 59 S HN 0.008 nan 8.310 nan 0.000 0.505 60 K N 2.998 123.429 120.400 0.051 0.000 2.400 60 K HA 0.094 4.415 4.320 0.001 0.000 0.194 60 K C 0.145 176.759 176.600 0.024 0.000 1.033 60 K CA 0.431 56.735 56.287 0.028 0.000 1.021 60 K CB -0.045 32.470 32.500 0.025 0.000 0.808 60 K HN 0.700 nan 8.250 nan 0.000 0.505 61 E N 2.064 122.299 120.200 0.058 0.000 2.148 61 E HA 0.059 4.410 4.350 0.001 0.000 0.308 61 E C -0.170 176.464 176.600 0.056 0.000 1.278 61 E CA 0.020 56.464 56.400 0.074 0.000 1.368 61 E CB 0.204 29.973 29.700 0.115 0.000 1.229 61 E HN -0.075 nan 8.360 nan 0.000 0.494 62 R N 0.640 121.102 120.500 -0.064 0.000 2.803 62 R HA 0.374 4.715 4.340 0.001 0.000 0.276 62 R C -0.644 175.569 176.300 -0.145 0.000 0.978 62 R CA -1.080 54.883 56.100 -0.228 0.000 0.939 62 R CB 1.968 32.102 30.300 -0.277 0.000 1.179 62 R HN 0.063 nan 8.270 nan 0.000 0.472 63 V N 2.588 122.395 119.914 -0.178 0.000 2.415 63 V HA 0.065 4.185 4.120 0.001 0.000 0.267 63 V C 1.374 177.415 176.094 -0.089 0.000 1.042 63 V CA 0.483 62.719 62.300 -0.107 0.000 1.000 63 V CB 0.584 32.350 31.823 -0.094 0.000 1.015 63 V HN 0.985 nan 8.190 nan 0.000 0.478 64 T N 0.802 115.320 114.554 -0.059 0.000 3.043 64 T HA 0.246 4.597 4.350 0.001 0.000 0.272 64 T C 0.239 174.934 174.700 -0.008 0.000 0.990 64 T CA -0.241 61.847 62.100 -0.019 0.000 0.897 64 T CB 0.155 69.017 68.868 -0.010 0.000 1.111 64 T HN 0.708 nan 8.240 nan 0.000 0.529 65 Q N 0.242 120.001 119.800 -0.067 0.000 2.456 65 Q HA 0.669 5.010 4.340 0.001 0.000 0.284 65 Q C -3.426 172.420 176.000 -0.257 0.000 1.061 65 Q CA -2.661 53.064 55.803 -0.130 0.000 0.799 65 Q CB 1.497 30.187 28.738 -0.080 0.000 1.445 65 Q HN -0.073 nan 8.270 nan 0.000 0.411 66 P HA 0.200 nan 4.420 nan 0.000 0.271 66 P C -1.212 175.946 177.300 -0.237 0.000 1.216 66 P CA -0.226 62.595 63.100 -0.465 0.000 0.776 66 P CB 0.448 31.747 31.700 -0.668 0.000 0.881 67 L N 2.949 124.066 121.223 -0.178 0.000 2.401 67 L HA 0.609 4.950 4.340 0.001 0.000 0.266 67 L C -0.535 176.293 176.870 -0.070 0.000 0.991 67 L CA -0.714 54.065 54.840 -0.102 0.000 0.818 67 L CB 2.136 44.145 42.059 -0.082 0.000 1.321 67 L HN 0.106 nan 8.230 nan 0.000 0.413 68 V N 3.632 123.520 119.914 -0.043 0.000 2.735 68 V HA 0.601 4.722 4.120 0.001 0.000 0.310 68 V C -0.601 175.480 176.094 -0.022 0.000 1.061 68 V CA -0.728 61.563 62.300 -0.014 0.000 0.913 68 V CB 2.343 34.167 31.823 0.002 0.000 1.005 68 V HN 0.799 nan 8.190 nan 0.000 0.428 69 R N 5.101 125.595 120.500 -0.010 0.000 2.215 69 R HA 0.428 4.768 4.340 0.001 0.000 0.337 69 R C 0.891 177.158 176.300 -0.054 0.000 1.010 69 R CA -0.723 55.364 56.100 -0.023 0.000 0.871 69 R CB 0.717 31.013 30.300 -0.006 0.000 1.134 69 R HN 0.702 nan 8.270 nan 0.000 0.477 70 R N 1.481 121.889 120.500 -0.153 0.000 2.091 70 R HA -0.066 4.274 4.340 0.001 0.000 0.238 70 R C 0.307 176.277 176.300 -0.549 0.000 1.136 70 R CA 1.428 57.291 56.100 -0.395 0.000 0.959 70 R CB -0.197 29.761 30.300 -0.571 0.000 0.856 70 R HN 0.625 nan 8.270 nan 0.000 0.437 71 H N -0.270 118.822 119.070 0.037 0.000 2.895 71 H HA 0.295 4.852 4.556 0.001 0.000 0.373 71 H C -0.147 175.198 175.328 0.028 0.000 1.174 71 H CA -1.027 55.041 56.048 0.034 0.000 1.144 71 H CB 1.353 31.128 29.762 0.021 0.000 1.793 71 H HN -0.282 nan 8.280 nan 0.000 0.551 72 K N 0.864 121.357 120.400 0.156 0.000 2.472 72 K HA 0.076 4.397 4.320 0.001 0.000 0.280 72 K C 1.145 177.782 176.600 0.061 0.000 1.028 72 K CA 0.881 57.221 56.287 0.088 0.000 1.045 72 K CB 0.036 32.583 32.500 0.077 0.000 0.902 72 K HN 1.056 nan 8.250 nan 0.000 0.478 73 G N 2.007 110.819 108.800 0.021 0.000 2.143 73 G HA2 -0.242 3.719 3.960 0.001 0.000 0.248 73 G HA3 -0.242 3.719 3.960 0.001 0.000 0.248 73 G C 0.535 175.441 174.900 0.009 0.000 0.991 73 G CA 0.296 45.392 45.100 -0.005 0.000 0.689 73 G HN 0.859 nan 8.290 nan 0.000 0.522 74 G N -0.976 107.844 108.800 0.032 0.000 2.568 74 G HA2 0.617 4.578 3.960 0.001 0.000 0.293 74 G HA3 0.617 4.578 3.960 0.001 0.000 0.293 74 G C -0.228 174.675 174.900 0.006 0.000 1.347 74 G CA -0.307 44.818 45.100 0.042 0.000 1.039 74 G HN 0.395 nan 8.290 nan 0.000 0.523 75 K N -0.237 120.167 120.400 0.007 0.000 2.159 75 K HA 0.367 4.688 4.320 0.001 0.000 0.266 75 K C -0.543 176.048 176.600 -0.015 0.000 0.975 75 K CA -0.781 55.500 56.287 -0.010 0.000 0.865 75 K CB 0.988 33.484 32.500 -0.006 0.000 1.087 75 K HN 0.097 nan 8.250 nan 0.000 0.446 76 L N 4.495 125.704 121.223 -0.024 0.000 2.513 76 L HA 0.001 4.341 4.340 0.001 0.000 0.272 76 L C 0.352 177.206 176.870 -0.026 0.000 1.187 76 L CA 0.856 55.679 54.840 -0.028 0.000 0.895 76 L CB -0.017 42.023 42.059 -0.032 0.000 1.147 76 L HN 0.709 nan 8.230 nan 0.000 0.483 77 E N 5.054 125.236 120.200 -0.029 0.000 2.343 77 E HA 0.639 4.989 4.350 0.001 0.000 0.270 77 E C -2.832 173.747 176.600 -0.036 0.000 0.895 77 E CA -2.390 53.994 56.400 -0.027 0.000 0.767 77 E CB 1.813 31.501 29.700 -0.020 0.000 1.248 77 E HN 0.232 nan 8.360 nan 0.000 0.440 78 P HA 0.088 nan 4.420 nan 0.000 0.269 78 P C -1.007 176.268 177.300 -0.041 0.000 1.215 78 P CA -0.306 62.767 63.100 -0.045 0.000 0.780 78 P CB 0.785 32.465 31.700 -0.032 0.000 0.898 79 V N 1.004 120.883 119.914 -0.058 0.000 3.147 79 V HA 0.378 4.499 4.120 0.001 0.000 0.299 79 V C -0.448 175.615 176.094 -0.052 0.000 1.302 79 V CA -0.536 61.739 62.300 -0.041 0.000 1.015 79 V CB 2.387 34.188 31.823 -0.037 0.000 1.086 79 V HN 0.717 nan 8.190 nan 0.000 0.437 80 S N 3.046 118.746 115.700 0.000 0.000 2.593 80 S HA 0.168 4.638 4.470 0.001 0.000 0.269 80 S C 0.585 175.228 174.600 0.072 0.000 1.334 80 S CA 0.269 58.497 58.200 0.046 0.000 1.015 80 S CB 0.645 63.895 63.200 0.084 0.000 0.912 80 S HN 0.816 nan 8.310 nan 0.000 0.541 81 W N 1.104 122.428 121.300 0.042 0.000 2.363 81 W HA -0.061 4.599 4.660 0.001 0.000 0.296 81 W C 2.087 178.642 176.519 0.060 0.000 1.212 81 W CA 1.441 58.817 57.345 0.051 0.000 1.260 81 W CB -0.308 29.178 29.460 0.044 0.000 1.131 81 W HN 0.897 nan 8.180 nan 0.000 0.530 82 D N -0.422 120.162 120.400 0.306 0.000 2.117 82 D HA -0.244 4.397 4.640 0.001 0.000 0.197 82 D C 1.967 178.365 176.300 0.164 0.000 0.987 82 D CA 1.689 55.812 54.000 0.204 0.000 0.829 82 D CB -0.067 40.816 40.800 0.140 0.000 0.961 82 D HN 0.192 nan 8.370 nan 0.000 0.460 83 E N -0.193 120.086 120.200 0.130 0.000 2.072 83 E HA -0.173 4.178 4.350 0.001 0.000 0.191 83 E C 1.994 178.663 176.600 0.116 0.000 0.985 83 E CA 0.946 57.406 56.400 0.099 0.000 0.801 83 E CB -0.105 29.634 29.700 0.065 0.000 0.750 83 E HN 0.255 nan 8.360 nan 0.000 0.452 84 A N 1.228 124.115 122.820 0.113 0.000 1.873 84 A HA -0.202 4.118 4.320 0.001 0.000 0.218 84 A C 2.236 179.947 177.584 0.212 0.000 1.193 84 A CA 1.555 53.663 52.037 0.117 0.000 0.629 84 A CB -0.846 18.147 19.000 -0.011 0.000 0.826 84 A HN 0.355 nan 8.150 nan 0.000 0.447 85 L N -0.789 120.597 121.223 0.271 0.000 2.093 85 L HA -0.172 4.169 4.340 0.001 0.000 0.208 85 L C 2.133 179.161 176.870 0.263 0.000 1.085 85 L CA 1.378 56.405 54.840 0.312 0.000 0.755 85 L CB -0.562 41.696 42.059 0.331 0.000 0.904 85 L HN 0.311 nan 8.230 nan 0.000 0.435 86 D N -0.242 120.274 120.400 0.193 0.000 2.117 86 D HA -0.172 4.469 4.640 0.001 0.000 0.198 86 D C 2.051 178.438 176.300 0.145 0.000 0.982 86 D CA 0.890 54.979 54.000 0.147 0.000 0.828 86 D CB -0.147 40.714 40.800 0.103 0.000 0.967 86 D HN 0.053 nan 8.370 nan 0.000 0.464 87 L N 0.584 121.894 121.223 0.144 0.000 2.012 87 L HA -0.105 4.235 4.340 0.001 0.000 0.210 87 L C 2.230 179.198 176.870 0.163 0.000 1.073 87 L CA 1.577 56.483 54.840 0.111 0.000 0.748 87 L CB -0.772 41.368 42.059 0.136 0.000 0.891 87 L HN 0.065 nan 8.230 nan 0.000 0.431 88 M N -1.707 118.102 119.600 0.347 0.000 2.099 88 M HA -0.165 4.316 4.480 0.001 0.000 0.262 88 M C 2.062 178.738 176.300 0.627 0.000 1.067 88 M CA 1.954 57.593 55.300 0.566 0.000 1.124 88 M CB -0.084 32.791 32.600 0.458 0.000 1.353 88 M HN 0.308 nan 8.290 nan 0.000 0.410 89 A N -0.370 122.737 122.820 0.478 0.000 1.929 89 A HA -0.116 4.205 4.320 0.001 0.000 0.216 89 A C 2.162 179.883 177.584 0.227 0.000 1.176 89 A CA 1.788 54.042 52.037 0.362 0.000 0.628 89 A CB -0.835 18.283 19.000 0.196 0.000 0.816 89 A HN 0.687 nan 8.150 nan 0.000 0.444 90 S N -0.549 115.244 115.700 0.156 0.000 2.395 90 S HA -0.081 4.389 4.470 0.001 0.000 0.225 90 S C 2.034 176.654 174.600 0.033 0.000 1.027 90 S CA 0.680 58.920 58.200 0.067 0.000 0.965 90 S CB -0.382 62.834 63.200 0.027 0.000 0.812 90 S HN 0.481 nan 8.310 nan 0.000 0.482 91 R N 0.372 120.874 120.500 0.003 0.000 2.073 91 R HA 0.071 4.412 4.340 0.001 0.000 0.234 91 R C 1.978 178.271 176.300 -0.012 0.000 1.134 91 R CA 1.421 57.435 56.100 -0.144 0.000 0.952 91 R CB -0.980 28.954 30.300 -0.610 0.000 0.850 91 R HN 0.530 nan 8.270 nan 0.000 0.433 92 F N 0.504 120.494 119.950 0.068 0.000 2.146 92 F HA -0.164 4.364 4.527 0.001 0.000 0.298 92 F C 2.773 178.482 175.800 -0.152 0.000 1.096 92 F CA 1.341 59.360 58.000 0.031 0.000 1.275 92 F CB -0.198 38.925 39.000 0.205 0.000 1.008 92 F HN -0.053 nan 8.300 nan 0.000 0.480 93 R N 0.313 120.855 120.500 0.069 0.000 2.073 93 R HA -0.120 4.220 4.340 0.001 0.000 0.234 93 R C 2.081 178.350 176.300 -0.051 0.000 1.134 93 R CA 2.069 58.150 56.100 -0.031 0.000 0.952 93 R CB -0.803 29.498 30.300 0.003 0.000 0.850 93 R HN 0.046 nan 8.270 nan 0.000 0.433 94 S N -0.625 115.052 115.700 -0.038 0.000 2.461 94 S HA -0.047 4.424 4.470 0.001 0.000 0.228 94 S C 1.775 176.331 174.600 -0.074 0.000 1.005 94 S CA 0.948 59.111 58.200 -0.061 0.000 0.942 94 S CB -0.109 63.059 63.200 -0.055 0.000 0.776 94 S HN 0.455 nan 8.310 nan 0.000 0.514 95 S N 1.543 117.220 115.700 -0.040 0.000 2.371 95 S HA 0.043 4.514 4.470 0.001 0.000 0.224 95 S C 1.757 176.382 174.600 0.043 0.000 1.029 95 S CA 0.671 58.907 58.200 0.059 0.000 0.978 95 S CB -0.334 62.863 63.200 -0.006 0.000 0.833 95 S HN 0.472 nan 8.310 nan 0.000 0.466 96 I N 1.702 122.242 120.570 -0.051 0.000 2.226 96 I HA -0.164 4.007 4.170 0.001 0.000 0.245 96 I C 2.121 178.197 176.117 -0.068 0.000 1.100 96 I CA 1.367 62.632 61.300 -0.059 0.000 1.374 96 I CB -0.493 37.431 38.000 -0.126 0.000 1.057 96 I HN 0.240 nan 8.210 nan 0.000 0.413 97 D N 0.543 120.886 120.400 -0.094 0.000 2.133 97 D HA -0.186 4.455 4.640 0.001 0.000 0.195 97 D C 2.220 178.411 176.300 -0.182 0.000 0.997 97 D CA 1.450 55.383 54.000 -0.111 0.000 0.840 97 D CB -0.116 40.623 40.800 -0.102 0.000 0.947 97 D HN 0.239 nan 8.370 nan 0.000 0.452 98 M N -1.089 118.316 119.600 -0.326 0.000 2.325 98 M HA -0.036 4.445 4.480 0.001 0.000 0.265 98 M C 1.168 177.077 176.300 -0.651 0.000 1.094 98 M CA 1.133 56.044 55.300 -0.648 0.000 1.161 98 M CB -0.327 31.527 32.600 -1.244 0.000 1.358 98 M HN 0.105 nan 8.290 nan 0.000 0.446 99 Y N -0.277 120.006 120.300 -0.028 0.000 2.527 99 Y HA 0.524 5.075 4.550 0.001 0.000 0.247 99 Y C 1.185 177.080 175.900 -0.010 0.000 1.138 99 Y CA -0.124 57.964 58.100 -0.019 0.000 1.228 99 Y CB -0.165 38.278 38.460 -0.027 0.000 1.252 99 Y HN 0.351 nan 8.280 nan 0.000 0.531 100 G N 1.502 110.348 108.800 0.077 0.000 2.758 100 G HA2 -0.185 3.776 3.960 0.001 0.000 0.686 100 G HA3 -0.185 3.776 3.960 0.001 0.000 0.686 100 G C -2.021 172.924 174.900 0.074 0.000 1.389 100 G CA -0.576 44.562 45.100 0.064 0.000 0.845 100 G HN -0.008 nan 8.290 nan 0.000 0.572 101 P HA -0.092 nan 4.420 nan 0.000 0.223 101 P C 1.229 178.612 177.300 0.139 0.000 1.144 101 P CA 1.398 64.553 63.100 0.092 0.000 0.783 101 P CB 0.055 31.833 31.700 0.129 0.000 0.771 102 N N 0.179 118.954 118.700 0.124 0.000 2.515 102 N HA -0.077 4.664 4.740 0.001 0.000 0.185 102 N C 1.390 176.996 175.510 0.160 0.000 1.109 102 N CA 0.771 53.904 53.050 0.140 0.000 0.903 102 N CB -0.458 38.086 38.487 0.094 0.000 0.969 102 N HN 0.038 nan 8.380 nan 0.000 0.450 103 S N -1.167 114.601 115.700 0.114 0.000 2.562 103 S HA 0.059 4.530 4.470 0.001 0.000 0.221 103 S C 0.678 175.292 174.600 0.023 0.000 0.975 103 S CA 0.077 58.306 58.200 0.048 0.000 0.918 103 S CB -0.637 62.596 63.200 0.054 0.000 0.772 103 S HN 0.125 nan 8.310 nan 0.000 0.531 104 V N -2.117 117.869 119.914 0.120 0.000 2.815 104 V HA 0.994 5.114 4.120 0.001 0.000 0.314 104 V C -0.508 175.871 176.094 0.474 0.000 1.064 104 V CA -0.700 61.736 62.300 0.226 0.000 0.952 104 V CB 1.186 33.167 31.823 0.262 0.000 1.020 104 V HN 0.516 nan 8.190 nan 0.000 0.439 105 A N 3.643 126.807 122.820 0.574 0.000 2.574 105 A HA 0.693 5.014 4.320 0.001 0.000 0.297 105 A C -1.544 176.164 177.584 0.207 0.000 1.062 105 A CA -0.545 51.712 52.037 0.367 0.000 0.686 105 A CB 1.840 20.940 19.000 0.166 0.000 1.285 105 A HN 1.629 nan 8.150 nan 0.000 0.403 106 W N 3.060 124.084 121.300 -0.460 0.000 2.429 106 W HA 0.606 5.266 4.660 0.001 0.000 0.314 106 W C -2.358 174.120 176.519 -0.069 0.000 1.062 106 W CA -0.603 56.464 57.345 -0.463 0.000 1.211 106 W CB 1.450 30.331 29.460 -0.966 0.000 1.305 106 W HN 0.734 nan 8.180 nan 0.000 0.476 107 Y N 6.365 126.266 120.300 -0.665 0.000 2.555 107 Y HA 0.492 5.043 4.550 0.001 0.000 0.326 107 Y C 0.167 175.635 175.900 -0.721 0.000 0.984 107 Y CA -0.395 57.425 58.100 -0.467 0.000 1.298 107 Y CB 0.481 38.857 38.460 -0.141 0.000 1.094 107 Y HN 0.458 nan 8.280 nan 0.000 0.500 108 G N 1.868 110.081 108.800 -0.978 0.000 3.008 108 G HA2 0.656 4.617 3.960 0.001 0.000 0.181 108 G HA3 0.656 4.617 3.960 0.001 0.000 0.181 108 G C -1.030 173.641 174.900 -0.382 0.000 1.309 108 G CA -0.397 44.347 45.100 -0.594 0.000 1.009 108 G HN 0.790 nan 8.290 nan 0.000 0.584 109 S N -3.125 112.538 115.700 -0.061 0.000 2.588 109 S HA 0.510 4.981 4.470 0.001 0.000 0.269 109 S C 0.640 175.294 174.600 0.090 0.000 1.157 109 S CA 0.263 58.450 58.200 -0.022 0.000 0.824 109 S CB 1.227 64.417 63.200 -0.016 0.000 1.126 109 S HN 1.410 nan 8.310 nan 0.000 0.464 110 G N -0.215 108.641 108.800 0.094 0.000 2.882 110 G HA2 0.092 4.053 3.960 0.001 0.000 0.206 110 G HA3 0.092 4.053 3.960 0.001 0.000 0.206 110 G C 0.676 175.630 174.900 0.089 0.000 1.155 110 G CA 0.178 45.342 45.100 0.107 0.000 0.800 110 G HN 0.722 nan 8.290 nan 0.000 0.524 111 Q N -0.862 119.029 119.800 0.151 0.000 2.396 111 Q HA 0.125 4.466 4.340 0.001 0.000 0.209 111 Q C 0.812 177.006 176.000 0.322 0.000 0.906 111 Q CA -0.270 55.647 55.803 0.189 0.000 0.927 111 Q CB 0.541 29.443 28.738 0.273 0.000 1.069 111 Q HN 0.389 nan 8.270 nan 0.000 0.523 112 C N 1.692 121.156 119.300 0.273 0.000 2.679 112 C HA 0.091 4.552 4.460 0.001 0.000 0.417 112 C C 0.898 176.100 174.990 0.353 0.000 1.302 112 C CA -0.794 58.398 59.018 0.289 0.000 1.973 112 C CB -0.501 27.397 27.740 0.264 0.000 2.715 112 C HN 0.404 nan 8.230 nan 0.000 0.628 113 L N 3.000 124.379 121.223 0.260 0.000 2.506 113 L HA 0.025 4.366 4.340 0.001 0.000 0.281 113 L C 1.780 178.750 176.870 0.167 0.000 1.228 113 L CA 0.225 55.167 54.840 0.171 0.000 0.850 113 L CB 0.100 42.163 42.059 0.008 0.000 1.110 113 L HN 0.849 nan 8.230 nan 0.000 0.496 114 T N 0.681 115.337 114.554 0.170 0.000 2.721 114 T HA -0.206 4.145 4.350 0.001 0.000 0.268 114 T C 1.537 176.298 174.700 0.103 0.000 1.038 114 T CA 1.893 64.084 62.100 0.152 0.000 1.145 114 T CB -0.106 68.910 68.868 0.247 0.000 0.858 114 T HN 0.577 nan 8.240 nan 0.000 0.459 115 E N 0.855 121.118 120.200 0.103 0.000 2.107 115 E HA -0.050 4.301 4.350 0.001 0.000 0.191 115 E C 2.284 178.883 176.600 -0.001 0.000 0.982 115 E CA 0.815 57.236 56.400 0.034 0.000 0.809 115 E CB -0.120 29.587 29.700 0.013 0.000 0.756 115 E HN 0.592 nan 8.360 nan 0.000 0.459 116 E N 0.325 120.543 120.200 0.029 0.000 2.051 116 E HA -0.122 4.229 4.350 0.001 0.000 0.192 116 E C 2.078 178.661 176.600 -0.029 0.000 0.991 116 E CA 1.223 57.642 56.400 0.033 0.000 0.799 116 E CB -0.093 29.677 29.700 0.117 0.000 0.748 116 E HN 0.042 nan 8.360 nan 0.000 0.449 117 S N 0.118 115.828 115.700 0.016 0.000 2.383 117 S HA -0.154 4.317 4.470 0.001 0.000 0.227 117 S C 1.696 176.187 174.600 -0.181 0.000 1.026 117 S CA 0.795 58.966 58.200 -0.047 0.000 0.981 117 S CB -0.266 62.961 63.200 0.046 0.000 0.818 117 S HN 0.340 nan 8.310 nan 0.000 0.472 118 Y N 2.184 122.318 120.300 -0.276 0.000 2.145 118 Y HA -0.141 4.409 4.550 0.001 0.000 0.286 118 Y C 2.148 177.865 175.900 -0.305 0.000 1.145 118 Y CA 1.215 59.107 58.100 -0.347 0.000 1.148 118 Y CB -0.501 37.703 38.460 -0.426 0.000 0.981 118 Y HN 0.023 nan 8.280 nan 0.000 0.507 119 V N 0.413 120.278 119.914 -0.083 0.000 2.307 119 V HA -0.291 3.830 4.120 0.001 0.000 0.245 119 V C 2.679 178.591 176.094 -0.304 0.000 1.045 119 V CA 1.724 63.947 62.300 -0.129 0.000 1.024 119 V CB -1.587 30.219 31.823 -0.030 0.000 0.651 119 V HN 0.555 nan 8.190 nan 0.000 0.449 120 A N 0.138 122.685 122.820 -0.454 0.000 1.865 120 A HA -0.316 4.005 4.320 0.001 0.000 0.217 120 A C 2.200 179.457 177.584 -0.546 0.000 1.191 120 A CA 2.293 53.877 52.037 -0.754 0.000 0.623 120 A CB -0.995 16.880 19.000 -1.876 0.000 0.826 120 A HN 0.632 nan 8.150 nan 0.000 0.444 121 N N -0.485 117.897 118.700 -0.529 0.000 2.036 121 N HA -0.247 4.494 4.740 0.001 0.000 0.195 121 N C 1.966 177.333 175.510 -0.237 0.000 1.037 121 N CA 1.952 54.815 53.050 -0.312 0.000 0.855 121 N CB -0.201 38.115 38.487 -0.285 0.000 1.033 121 N HN 0.588 nan 8.380 nan 0.000 0.423 122 K N 0.674 120.773 120.400 -0.501 0.000 2.057 122 K HA -0.081 4.239 4.320 0.001 0.000 0.207 122 K C 2.205 178.476 176.600 -0.549 0.000 1.049 122 K CA 0.870 56.652 56.287 -0.841 0.000 0.931 122 K CB -0.058 31.668 32.500 -1.289 0.000 0.714 122 K HN 0.198 nan 8.250 nan 0.000 0.440 123 I N 0.234 120.555 120.570 -0.416 0.000 2.226 123 I HA -0.281 3.890 4.170 0.001 0.000 0.245 123 I C 1.880 177.646 176.117 -0.585 0.000 1.100 123 I CA 1.420 62.411 61.300 -0.515 0.000 1.374 123 I CB -0.168 37.564 38.000 -0.447 0.000 1.057 123 I HN 0.124 nan 8.210 nan 0.000 0.413 124 F N 0.693 120.461 119.950 -0.303 0.000 2.149 124 F HA -0.088 4.440 4.527 0.001 0.000 0.294 124 F C 2.481 178.310 175.800 0.050 0.000 1.095 124 F CA 1.233 59.229 58.000 -0.006 0.000 1.276 124 F CB -0.212 38.887 39.000 0.165 0.000 1.023 124 F HN -0.189 nan 8.300 nan 0.000 0.480 125 K N -0.512 120.006 120.400 0.196 0.000 2.116 125 K HA 0.026 4.347 4.320 0.001 0.000 0.203 125 K C 2.175 178.871 176.600 0.159 0.000 1.052 125 K CA 1.186 57.592 56.287 0.198 0.000 0.952 125 K CB -0.468 32.169 32.500 0.228 0.000 0.729 125 K HN 0.320 nan 8.250 nan 0.000 0.446 126 G N -0.056 108.782 108.800 0.063 0.000 2.762 126 G HA2 0.007 3.968 3.960 0.001 0.000 0.209 126 G HA3 0.007 3.968 3.960 0.001 0.000 0.209 126 G C 1.278 176.132 174.900 -0.077 0.000 1.134 126 G CA 0.424 45.553 45.100 0.049 0.000 0.781 126 G HN 0.349 nan 8.290 nan 0.000 0.528 127 G N 0.534 109.201 108.800 -0.222 0.000 2.564 127 G HA2 0.096 4.056 3.960 0.001 0.000 0.212 127 G HA3 0.096 4.056 3.960 0.001 0.000 0.212 127 G C 1.431 176.247 174.900 -0.139 0.000 1.199 127 G CA 0.074 44.989 45.100 -0.308 0.000 0.832 127 G HN 0.329 nan 8.290 nan 0.000 0.565 128 F N 0.967 120.851 119.950 -0.110 0.000 2.367 128 F HA 0.204 4.732 4.527 0.001 0.000 0.298 128 F C 2.186 177.993 175.800 0.013 0.000 1.094 128 F CA 0.400 58.359 58.000 -0.068 0.000 1.409 128 F CB 0.348 39.281 39.000 -0.112 0.000 1.064 128 F HN 0.340 nan 8.300 nan 0.000 0.528 129 G N 1.219 110.143 108.800 0.207 0.000 2.149 129 G HA2 -0.246 3.715 3.960 0.001 0.000 0.235 129 G HA3 -0.246 3.715 3.960 0.001 0.000 0.235 129 G C 0.008 175.020 174.900 0.187 0.000 1.018 129 G CA 0.350 45.549 45.100 0.166 0.000 0.728 129 G HN 0.374 nan 8.290 nan 0.000 0.508 130 T N -0.846 113.863 114.554 0.258 0.000 2.863 130 T HA 0.590 4.940 4.350 0.001 0.000 0.285 130 T C 0.739 175.599 174.700 0.266 0.000 1.009 130 T CA -0.392 61.863 62.100 0.257 0.000 0.989 130 T CB 0.837 69.900 68.868 0.327 0.000 1.004 130 T HN 0.027 nan 8.240 nan 0.000 0.455 131 N N 3.477 122.286 118.700 0.182 0.000 2.276 131 N HA 0.094 4.835 4.740 0.001 0.000 0.212 131 N C -0.093 175.516 175.510 0.165 0.000 1.127 131 N CA -0.052 53.095 53.050 0.161 0.000 0.834 131 N CB -0.088 38.465 38.487 0.110 0.000 1.014 131 N HN 0.633 nan 8.380 nan 0.000 0.491 132 N N 0.680 119.506 118.700 0.210 0.000 2.950 132 N HA 0.054 4.795 4.740 0.001 0.000 0.313 132 N C -0.930 174.698 175.510 0.197 0.000 1.213 132 N CA 0.055 53.243 53.050 0.230 0.000 1.184 132 N CB 0.289 38.955 38.487 0.299 0.000 1.454 132 N HN -0.137 nan 8.380 nan 0.000 0.532 133 V N 0.764 120.788 119.914 0.183 0.000 2.409 133 V HA 0.319 4.440 4.120 0.001 0.000 0.290 133 V C -0.327 175.910 176.094 0.238 0.000 1.017 133 V CA -0.629 61.783 62.300 0.186 0.000 0.841 133 V CB 1.756 33.643 31.823 0.107 0.000 1.003 133 V HN 0.310 nan 8.190 nan 0.000 0.426 134 D N 2.048 122.624 120.400 0.294 0.000 2.837 134 D HA 0.921 5.562 4.640 0.001 0.000 0.294 134 D C 0.021 176.454 176.300 0.221 0.000 1.158 134 D CA 0.420 54.599 54.000 0.297 0.000 1.073 134 D CB 2.395 43.410 40.800 0.358 0.000 1.419 134 D HN 0.833 nan 8.370 nan 0.000 0.584 135 G N -0.834 108.072 108.800 0.177 0.000 2.349 135 G HA2 0.197 4.158 3.960 0.001 0.000 0.294 135 G HA3 0.197 4.158 3.960 0.001 0.000 0.294 135 G C -0.224 174.663 174.900 -0.022 0.000 1.380 135 G CA -0.107 44.863 45.100 -0.217 0.000 0.811 135 G HN 0.468 nan 8.290 nan 0.000 0.519 136 N N -0.447 118.148 118.700 -0.174 0.000 2.381 136 N HA 0.010 4.751 4.740 0.001 0.000 0.182 136 N C -0.710 174.841 175.510 0.070 0.000 1.025 136 N CA 1.321 54.384 53.050 0.022 0.000 0.888 136 N CB -1.021 37.444 38.487 -0.037 0.000 0.965 136 N HN 0.259 nan 8.380 nan 0.000 0.438 137 P HA -0.096 nan 4.420 nan 0.000 0.222 137 P C 1.303 178.685 177.300 0.137 0.000 1.147 137 P CA 1.012 64.179 63.100 0.112 0.000 0.790 137 P CB -0.090 31.686 31.700 0.127 0.000 0.780 138 R N 0.172 120.769 120.500 0.161 0.000 2.185 138 R HA -0.114 4.227 4.340 0.001 0.000 0.247 138 R C 1.571 177.955 176.300 0.140 0.000 1.159 138 R CA 1.221 57.423 56.100 0.171 0.000 0.988 138 R CB -0.992 29.441 30.300 0.222 0.000 0.871 138 R HN 0.199 nan 8.270 nan 0.000 0.458 139 L N -1.395 119.913 121.223 0.141 0.000 2.628 139 L HA 0.122 4.462 4.340 0.001 0.000 0.229 139 L C 1.464 178.413 176.870 0.131 0.000 1.137 139 L CA -0.222 54.717 54.840 0.165 0.000 0.909 139 L CB 0.472 42.622 42.059 0.152 0.000 1.137 139 L HN 0.377 nan 8.230 nan 0.000 0.470 140 C N -1.056 118.309 119.300 0.108 0.000 3.190 140 C HA 0.156 4.617 4.460 0.001 0.000 0.288 140 C C 1.734 176.800 174.990 0.127 0.000 2.330 140 C CA -0.091 58.983 59.018 0.094 0.000 1.535 140 C CB 0.410 28.195 27.740 0.074 0.000 1.587 140 C HN 0.284 nan 8.230 nan 0.000 0.679 141 M N 1.833 121.519 119.600 0.143 0.000 2.382 141 M HA 0.313 4.793 4.480 0.001 0.000 0.247 141 M C 1.950 178.362 176.300 0.187 0.000 1.104 141 M CA 0.991 56.395 55.300 0.173 0.000 1.030 141 M CB -1.277 31.430 32.600 0.179 0.000 1.424 141 M HN 0.569 nan 8.290 nan 0.000 0.486 142 A N 0.269 123.187 122.820 0.162 0.000 1.948 142 A HA -0.144 4.177 4.320 0.001 0.000 0.220 142 A C 2.458 180.125 177.584 0.139 0.000 1.177 142 A CA 2.264 54.395 52.037 0.156 0.000 0.636 142 A CB -0.627 18.444 19.000 0.119 0.000 0.815 142 A HN 0.450 nan 8.150 nan 0.000 0.449 143 S N -0.548 115.225 115.700 0.121 0.000 2.387 143 S HA 0.084 4.555 4.470 0.001 0.000 0.226 143 S C 2.248 176.943 174.600 0.159 0.000 1.026 143 S CA 0.918 59.177 58.200 0.098 0.000 0.972 143 S CB -0.333 62.907 63.200 0.067 0.000 0.814 143 S HN 0.798 nan 8.310 nan 0.000 0.477 144 A N 1.032 123.993 122.820 0.235 0.000 2.015 144 A HA 0.018 4.338 4.320 0.001 0.000 0.219 144 A C 2.240 180.063 177.584 0.399 0.000 1.163 144 A CA 1.031 53.262 52.037 0.324 0.000 0.646 144 A CB -0.648 18.581 19.000 0.382 0.000 0.806 144 A HN 0.336 nan 8.150 nan 0.000 0.448 145 V N -0.150 119.974 119.914 0.350 0.000 2.270 145 V HA -0.158 3.962 4.120 0.001 0.000 0.245 145 V C 2.850 179.138 176.094 0.324 0.000 1.043 145 V CA 1.983 64.504 62.300 0.369 0.000 1.014 145 V CB -1.443 30.560 31.823 0.300 0.000 0.645 145 V HN 0.573 nan 8.190 nan 0.000 0.447 146 G N -0.002 108.934 108.800 0.225 0.000 2.440 146 G HA2 -0.168 3.793 3.960 0.001 0.000 0.218 146 G HA3 -0.168 3.793 3.960 0.001 0.000 0.218 146 G C 1.634 176.621 174.900 0.146 0.000 1.154 146 G CA 1.007 46.198 45.100 0.152 0.000 0.767 146 G HN 0.589 nan 8.290 nan 0.000 0.552 147 G N -0.155 108.743 108.800 0.163 0.000 2.446 147 G HA2 -0.217 3.743 3.960 0.001 0.000 0.217 147 G HA3 -0.217 3.743 3.960 0.001 0.000 0.217 147 G C 1.640 176.713 174.900 0.288 0.000 1.168 147 G CA 0.998 46.199 45.100 0.169 0.000 0.771 147 G HN 0.403 nan 8.290 nan 0.000 0.551 148 Y N 0.388 120.922 120.300 0.389 0.000 2.200 148 Y HA -0.033 4.518 4.550 0.001 0.000 0.290 148 Y C 3.062 179.146 175.900 0.307 0.000 1.137 148 Y CA 0.684 59.000 58.100 0.360 0.000 1.163 148 Y CB -0.541 38.104 38.460 0.308 0.000 0.988 148 Y HN 0.043 nan 8.280 nan 0.000 0.518 149 V N -0.348 119.815 119.914 0.416 0.000 2.307 149 V HA -0.302 3.819 4.120 0.001 0.000 0.245 149 V C 2.419 178.655 176.094 0.236 0.000 1.045 149 V CA 2.450 64.935 62.300 0.307 0.000 1.024 149 V CB -1.282 30.701 31.823 0.267 0.000 0.651 149 V HN 0.608 nan 8.190 nan 0.000 0.449 150 T N -2.720 111.940 114.554 0.176 0.000 2.821 150 T HA -0.153 4.198 4.350 0.001 0.000 0.267 150 T C 1.932 176.839 174.700 0.345 0.000 1.046 150 T CA 1.746 63.944 62.100 0.162 0.000 1.139 150 T CB -0.366 68.391 68.868 -0.186 0.000 0.871 150 T HN 0.388 nan 8.240 nan 0.000 0.454 151 S N 0.507 116.302 115.700 0.159 0.000 2.395 151 S HA 0.264 4.735 4.470 0.001 0.000 0.225 151 S C 1.136 175.345 174.600 -0.653 0.000 1.027 151 S CA 0.619 58.703 58.200 -0.194 0.000 0.965 151 S CB -0.253 62.700 63.200 -0.411 0.000 0.812 151 S HN 0.606 nan 8.310 nan 0.000 0.482 152 F N -0.499 119.454 119.950 0.004 0.000 2.789 152 F HA 0.364 4.892 4.527 0.001 0.000 0.320 152 F C 1.788 177.561 175.800 -0.044 0.000 1.079 152 F CA 0.235 58.171 58.000 -0.106 0.000 1.205 152 F CB 0.470 39.419 39.000 -0.085 0.000 1.046 152 F HN 0.271 nan 8.300 nan 0.000 0.586 153 G N 0.438 109.366 108.800 0.213 0.000 2.205 153 G HA2 -0.226 3.735 3.960 0.001 0.000 0.261 153 G HA3 -0.226 3.735 3.960 0.001 0.000 0.261 153 G C 0.196 175.244 174.900 0.247 0.000 0.980 153 G CA 0.108 45.328 45.100 0.201 0.000 0.632 153 G HN 0.142 nan 8.290 nan 0.000 0.533 154 K N 0.273 120.849 120.400 0.293 0.000 2.477 154 K HA 0.520 4.841 4.320 0.001 0.000 0.255 154 K C -0.834 175.942 176.600 0.292 0.000 0.952 154 K CA -0.877 55.588 56.287 0.296 0.000 0.826 154 K CB 2.023 34.706 32.500 0.304 0.000 1.331 154 K HN 0.130 nan 8.250 nan 0.000 0.437 155 D N 1.620 122.186 120.400 0.276 0.000 2.383 155 D HA 0.193 4.834 4.640 0.001 0.000 0.248 155 D C -0.651 175.626 176.300 -0.037 0.000 1.170 155 D CA 0.854 54.990 54.000 0.227 0.000 0.977 155 D CB 0.629 41.628 40.800 0.332 0.000 1.120 155 D HN 0.366 nan 8.370 nan 0.000 0.481 156 E N -1.090 118.906 120.200 -0.340 0.000 8.070 156 E HA -0.096 4.255 4.350 0.001 0.000 0.467 156 E C -2.512 173.428 176.600 -1.101 0.000 0.799 156 E CA -0.326 55.752 56.400 -0.537 0.000 1.432 156 E CB -1.514 28.126 29.700 -0.100 0.000 0.984 156 E HN 0.346 nan 8.360 nan 0.000 0.262 157 P HA 0.015 nan 4.420 nan 0.000 0.267 157 P C 1.208 178.139 177.300 -0.615 0.000 1.200 157 P CA 0.074 62.708 63.100 -0.777 0.000 0.772 157 P CB 0.306 31.483 31.700 -0.872 0.000 0.855 158 M N 0.679 120.008 119.600 -0.452 0.000 2.502 158 M HA 0.271 4.751 4.480 0.001 0.000 0.243 158 M C 0.532 176.641 176.300 -0.319 0.000 1.130 158 M CA 0.762 55.775 55.300 -0.478 0.000 1.055 158 M CB -0.944 31.407 32.600 -0.415 0.000 1.457 158 M HN 0.210 nan 8.290 nan 0.000 0.488 159 G N 0.855 109.557 108.800 -0.164 0.000 3.107 159 G HA2 0.709 4.670 3.960 0.001 0.000 0.232 159 G HA3 0.709 4.670 3.960 0.001 0.000 0.232 159 G C -1.033 173.866 174.900 -0.002 0.000 1.339 159 G CA 0.102 45.163 45.100 -0.065 0.000 1.033 159 G HN 0.449 nan 8.290 nan 0.000 0.567 160 T N -4.099 110.447 114.554 -0.013 0.000 2.812 160 T HA 0.371 4.721 4.350 0.001 0.000 0.294 160 T C 0.503 175.067 174.700 -0.226 0.000 1.159 160 T CA -0.646 61.375 62.100 -0.131 0.000 1.008 160 T CB 0.998 69.753 68.868 -0.189 0.000 1.289 160 T HN 0.432 nan 8.240 nan 0.000 0.514 161 Y N 0.287 120.425 120.300 -0.270 0.000 2.333 161 Y HA 0.007 4.558 4.550 0.001 0.000 0.290 161 Y C 3.028 178.822 175.900 -0.177 0.000 1.144 161 Y CA 0.381 58.286 58.100 -0.323 0.000 1.228 161 Y CB -0.471 37.832 38.460 -0.261 0.000 0.985 161 Y HN 0.822 nan 8.280 nan 0.000 0.542 162 A N 0.322 123.150 122.820 0.014 0.000 2.032 162 A HA -0.235 4.086 4.320 0.001 0.000 0.221 162 A C 1.737 179.319 177.584 -0.003 0.000 1.165 162 A CA 2.006 54.048 52.037 0.009 0.000 0.645 162 A CB -0.515 18.479 19.000 -0.011 0.000 0.807 162 A HN 0.397 nan 8.150 nan 0.000 0.453 163 D N -0.261 120.121 120.400 -0.029 0.000 2.269 163 D HA -0.051 4.590 4.640 0.001 0.000 0.208 163 D C 1.742 178.046 176.300 0.007 0.000 0.963 163 D CA 0.723 54.707 54.000 -0.027 0.000 0.864 163 D CB -0.191 40.584 40.800 -0.041 0.000 0.936 163 D HN 0.568 nan 8.370 nan 0.000 0.505 164 I N 1.269 121.873 120.570 0.057 0.000 2.264 164 I HA -0.252 3.919 4.170 0.001 0.000 0.248 164 I C 1.486 177.725 176.117 0.205 0.000 1.111 164 I CA 1.083 62.515 61.300 0.219 0.000 1.382 164 I CB -0.077 37.994 38.000 0.118 0.000 1.060 164 I HN -0.175 nan 8.210 nan 0.000 0.418 165 D N 0.066 120.518 120.400 0.086 0.000 2.371 165 D HA -0.121 4.520 4.640 0.001 0.000 0.221 165 D C 1.851 178.177 176.300 0.043 0.000 0.986 165 D CA 0.889 54.925 54.000 0.061 0.000 0.899 165 D CB 0.075 40.894 40.800 0.030 0.000 0.902 165 D HN 0.454 nan 8.370 nan 0.000 0.530 166 Q N -0.801 119.011 119.800 0.020 0.000 2.157 166 Q HA 0.322 4.663 4.340 0.001 0.000 0.235 166 Q C 0.140 176.099 176.000 -0.069 0.000 0.803 166 Q CA -0.217 55.577 55.803 -0.016 0.000 0.967 166 Q CB 1.305 30.032 28.738 -0.019 0.000 1.150 166 Q HN 0.073 nan 8.270 nan 0.000 0.482 167 A N 0.144 122.881 122.820 -0.138 0.000 2.498 167 A HA 0.128 4.449 4.320 0.001 0.000 0.239 167 A C 0.768 178.179 177.584 -0.287 0.000 1.068 167 A CA 0.489 52.314 52.037 -0.353 0.000 0.766 167 A CB 0.531 19.001 19.000 -0.884 0.000 1.003 167 A HN 0.135 nan 8.150 nan 0.000 0.497 168 T N 0.015 114.407 114.554 -0.270 0.000 2.971 168 T HA 0.194 4.545 4.350 0.001 0.000 0.252 168 T C -0.029 174.587 174.700 -0.139 0.000 1.022 168 T CA 0.794 62.810 62.100 -0.139 0.000 0.980 168 T CB -0.252 68.562 68.868 -0.089 0.000 1.044 168 T HN 0.843 nan 8.240 nan 0.000 0.501 169 C N 1.319 120.449 119.300 -0.284 0.000 2.782 169 C HA 0.745 5.206 4.460 0.001 0.000 0.328 169 C C -1.923 172.846 174.990 -0.369 0.000 1.145 169 C CA -1.342 57.572 59.018 -0.173 0.000 1.358 169 C CB -0.105 27.560 27.740 -0.124 0.000 1.841 169 C HN 0.313 nan 8.230 nan 0.000 0.477 170 F N 4.691 124.694 119.950 0.087 0.000 2.444 170 F HA 0.543 5.071 4.527 0.001 0.000 0.342 170 F C -0.291 175.671 175.800 0.271 0.000 1.121 170 F CA -0.643 57.443 58.000 0.143 0.000 0.997 170 F CB 1.424 40.485 39.000 0.102 0.000 1.130 170 F HN 0.580 nan 8.300 nan 0.000 0.454 171 F N 5.837 125.978 119.950 0.319 0.000 2.293 171 F HA 0.591 5.119 4.527 0.001 0.000 0.370 171 F C -0.835 175.206 175.800 0.402 0.000 1.090 171 F CA -1.321 56.905 58.000 0.376 0.000 1.133 171 F CB 0.173 39.471 39.000 0.498 0.000 1.360 171 F HN 0.259 nan 8.300 nan 0.000 0.489 172 I N 8.087 128.661 120.570 0.005 0.000 2.328 172 I HA 0.407 4.578 4.170 0.001 0.000 0.287 172 I C -0.642 175.392 176.117 -0.138 0.000 1.012 172 I CA -0.506 60.807 61.300 0.022 0.000 1.195 172 I CB 1.392 39.464 38.000 0.119 0.000 1.350 172 I HN 0.520 nan 8.210 nan 0.000 0.464 173 I N 5.221 125.732 120.570 -0.099 0.000 2.533 173 I HA 0.567 4.738 4.170 0.001 0.000 0.290 173 I C 0.761 176.950 176.117 0.120 0.000 1.056 173 I CA -0.143 61.107 61.300 -0.082 0.000 1.057 173 I CB 1.752 39.588 38.000 -0.274 0.000 1.240 173 I HN 0.768 nan 8.210 nan 0.000 0.423 174 G N 4.608 113.489 108.800 0.135 0.000 2.295 174 G HA2 -0.227 3.734 3.960 0.001 0.000 0.287 174 G HA3 -0.227 3.734 3.960 0.001 0.000 0.287 174 G C -0.155 174.840 174.900 0.158 0.000 1.055 174 G CA 0.650 45.846 45.100 0.160 0.000 0.922 174 G HN 0.944 nan 8.290 nan 0.000 0.503 175 S N -0.767 115.006 115.700 0.122 0.000 2.689 175 S HA 0.460 4.930 4.470 0.001 0.000 0.274 175 S C -0.361 174.284 174.600 0.075 0.000 1.176 175 S CA -0.253 58.020 58.200 0.122 0.000 1.014 175 S CB 0.768 64.047 63.200 0.132 0.000 1.071 175 S HN 0.539 nan 8.310 nan 0.000 0.478 176 N N 3.971 122.708 118.700 0.062 0.000 3.229 176 N HA 0.152 4.893 4.740 0.001 0.000 0.275 176 N C 0.971 176.467 175.510 -0.024 0.000 1.225 176 N CA -0.253 52.789 53.050 -0.014 0.000 1.119 176 N CB 0.275 38.748 38.487 -0.023 0.000 1.392 176 N HN 0.655 nan 8.380 nan 0.000 0.520 177 T N -0.833 113.717 114.554 -0.006 0.000 2.803 177 T HA -0.182 4.169 4.350 0.001 0.000 0.269 177 T C 1.936 176.559 174.700 -0.129 0.000 1.052 177 T CA 0.982 63.125 62.100 0.073 0.000 1.136 177 T CB -0.130 68.841 68.868 0.172 0.000 0.864 177 T HN 0.374 nan 8.240 nan 0.000 0.467 178 S N 1.075 116.415 115.700 -0.600 0.000 2.353 178 S HA -0.176 4.295 4.470 0.001 0.000 0.222 178 S C 2.092 176.477 174.600 -0.357 0.000 1.035 178 S CA 1.411 59.066 58.200 -0.907 0.000 1.025 178 S CB -0.266 62.253 63.200 -1.135 0.000 0.902 178 S HN 0.612 nan 8.310 nan 0.000 0.440 179 E N -0.097 119.954 120.200 -0.248 0.000 2.230 179 E HA 0.116 4.467 4.350 0.001 0.000 0.192 179 E C 2.025 178.547 176.600 -0.130 0.000 0.987 179 E CA 0.751 57.056 56.400 -0.158 0.000 0.841 179 E CB -0.080 29.548 29.700 -0.120 0.000 0.783 179 E HN 0.588 nan 8.360 nan 0.000 0.481 180 A N 0.403 123.157 122.820 -0.110 0.000 2.085 180 A HA 0.049 4.370 4.320 0.001 0.000 0.208 180 A C 0.439 177.753 177.584 -0.451 0.000 1.191 180 A CA 0.349 52.264 52.037 -0.204 0.000 0.799 180 A CB 0.031 18.959 19.000 -0.120 0.000 0.877 180 A HN 0.122 nan 8.150 nan 0.000 0.473 181 H N -1.366 117.708 119.070 0.006 0.000 2.535 181 H HA 0.281 4.837 4.556 0.001 0.000 0.232 181 H C -2.267 173.074 175.328 0.021 0.000 1.405 181 H CA -1.391 54.672 56.048 0.025 0.000 1.224 181 H CB 0.455 30.232 29.762 0.026 0.000 1.763 181 H HN 0.202 nan 8.280 nan 0.000 0.529 182 P HA -0.238 nan 4.420 nan 0.000 0.216 182 P C 1.559 178.920 177.300 0.101 0.000 1.157 182 P CA 1.172 64.308 63.100 0.061 0.000 0.880 182 P CB 0.411 32.110 31.700 -0.001 0.000 0.791 183 V N -0.599 119.345 119.914 0.052 0.000 2.626 183 V HA -0.162 3.959 4.120 0.001 0.000 0.252 183 V C 2.348 178.435 176.094 -0.012 0.000 1.067 183 V CA 1.210 63.520 62.300 0.016 0.000 1.081 183 V CB -1.027 30.792 31.823 -0.007 0.000 0.686 183 V HN 0.150 nan 8.190 nan 0.000 0.468 184 L N -0.680 120.536 121.223 -0.011 0.000 2.044 184 L HA -0.094 4.246 4.340 0.001 0.000 0.205 184 L C 2.314 179.147 176.870 -0.062 0.000 1.075 184 L CA 2.129 56.904 54.840 -0.108 0.000 0.747 184 L CB -0.839 41.127 42.059 -0.155 0.000 0.903 184 L HN 0.420 nan 8.230 nan 0.000 0.435 185 F N 1.218 121.102 119.950 -0.109 0.000 2.161 185 F HA -0.259 4.269 4.527 0.001 0.000 0.300 185 F C 2.826 178.546 175.800 -0.133 0.000 1.089 185 F CA 1.912 59.839 58.000 -0.123 0.000 1.282 185 F CB -0.351 38.605 39.000 -0.073 0.000 1.010 185 F HN 0.044 nan 8.300 nan 0.000 0.485 186 R N 0.438 120.875 120.500 -0.105 0.000 2.096 186 R HA -0.188 4.152 4.340 0.001 0.000 0.235 186 R C 2.555 178.716 176.300 -0.232 0.000 1.127 186 R CA 1.537 57.523 56.100 -0.190 0.000 0.968 186 R CB -0.448 29.820 30.300 -0.054 0.000 0.861 186 R HN 0.298 nan 8.270 nan 0.000 0.440 187 R N 0.383 120.771 120.500 -0.187 0.000 2.096 187 R HA -0.093 4.248 4.340 0.001 0.000 0.235 187 R C 2.253 178.405 176.300 -0.246 0.000 1.127 187 R CA 1.538 57.536 56.100 -0.170 0.000 0.968 187 R CB -0.184 30.040 30.300 -0.127 0.000 0.861 187 R HN 0.279 nan 8.270 nan 0.000 0.440 188 I N 0.268 120.599 120.570 -0.397 0.000 2.163 188 I HA -0.231 3.940 4.170 0.001 0.000 0.240 188 I C 2.587 178.374 176.117 -0.550 0.000 1.081 188 I CA 1.217 62.137 61.300 -0.633 0.000 1.353 188 I CB -0.489 37.010 38.000 -0.835 0.000 1.054 188 I HN 0.232 nan 8.210 nan 0.000 0.407 189 A N 0.979 123.430 122.820 -0.616 0.000 1.892 189 A HA -0.318 4.003 4.320 0.001 0.000 0.218 189 A C 2.354 179.778 177.584 -0.266 0.000 1.188 189 A CA 2.407 54.157 52.037 -0.478 0.000 0.631 189 A CB -0.758 17.897 19.000 -0.576 0.000 0.822 189 A HN 0.349 nan 8.150 nan 0.000 0.447 190 R N -0.451 119.914 120.500 -0.225 0.000 2.096 190 R HA -0.215 4.126 4.340 0.001 0.000 0.240 190 R C 2.308 178.556 176.300 -0.086 0.000 1.139 190 R CA 2.118 58.139 56.100 -0.131 0.000 0.952 190 R CB -0.355 29.879 30.300 -0.110 0.000 0.854 190 R HN 0.444 nan 8.270 nan 0.000 0.436 191 R N 0.886 121.337 120.500 -0.082 0.000 2.096 191 R HA -0.168 4.173 4.340 0.001 0.000 0.240 191 R C 1.950 178.265 176.300 0.024 0.000 1.139 191 R CA 2.327 58.431 56.100 0.007 0.000 0.952 191 R CB -0.493 29.870 30.300 0.106 0.000 0.854 191 R HN 0.196 nan 8.270 nan 0.000 0.436 192 K N 0.137 120.527 120.400 -0.017 0.000 2.211 192 K HA -0.089 4.232 4.320 0.001 0.000 0.203 192 K C 1.966 178.557 176.600 -0.015 0.000 1.050 192 K CA 1.672 57.958 56.287 -0.002 0.000 0.945 192 K CB 0.039 32.512 32.500 -0.045 0.000 0.732 192 K HN 0.431 nan 8.250 nan 0.000 0.451 193 Q N -0.766 119.010 119.800 -0.040 0.000 2.137 193 Q HA -0.023 4.318 4.340 0.001 0.000 0.198 193 Q C 1.959 177.949 176.000 -0.016 0.000 0.960 193 Q CA 1.136 56.921 55.803 -0.031 0.000 0.847 193 Q CB 0.209 28.919 28.738 -0.046 0.000 0.915 193 Q HN 0.087 nan 8.270 nan 0.000 0.448 194 V N 0.613 120.519 119.914 -0.013 0.000 2.307 194 V HA -0.150 3.970 4.120 0.001 0.000 0.245 194 V C 0.726 176.824 176.094 0.006 0.000 1.045 194 V CA 1.295 63.593 62.300 -0.003 0.000 1.024 194 V CB 0.026 31.848 31.823 -0.001 0.000 0.651 194 V HN 0.222 nan 8.190 nan 0.000 0.449 195 E N -0.419 119.791 120.200 0.016 0.000 2.255 195 E HA 0.288 4.639 4.350 0.001 0.000 0.245 195 E C -2.119 174.498 176.600 0.028 0.000 0.909 195 E CA -2.761 53.653 56.400 0.023 0.000 0.747 195 E CB 1.611 31.328 29.700 0.029 0.000 1.215 195 E HN 0.165 nan 8.360 nan 0.000 0.424 196 P HA 0.007 nan 4.420 nan 0.000 0.225 196 P C 1.108 178.429 177.300 0.035 0.000 1.148 196 P CA 0.802 63.917 63.100 0.024 0.000 0.779 196 P CB 0.382 32.092 31.700 0.017 0.000 0.780 197 G N -0.155 108.666 108.800 0.034 0.000 2.559 197 G HA2 -0.107 3.854 3.960 0.001 0.000 0.216 197 G HA3 -0.107 3.854 3.960 0.001 0.000 0.216 197 G C 0.517 175.447 174.900 0.050 0.000 1.126 197 G CA -0.001 45.122 45.100 0.038 0.000 0.778 197 G HN 0.183 nan 8.290 nan 0.000 0.543 198 V N 0.786 120.738 119.914 0.064 0.000 2.599 198 V HA 0.103 4.224 4.120 0.001 0.000 0.300 198 V C 0.335 176.501 176.094 0.119 0.000 1.034 198 V CA 0.446 62.805 62.300 0.098 0.000 1.115 198 V CB 0.913 32.829 31.823 0.155 0.000 0.934 198 V HN 0.253 nan 8.190 nan 0.000 0.485 199 K N 5.233 125.711 120.400 0.130 0.000 2.164 199 K HA 0.721 5.042 4.320 0.001 0.000 0.258 199 K C -0.969 175.765 176.600 0.224 0.000 0.951 199 K CA -0.503 55.873 56.287 0.148 0.000 0.844 199 K CB 1.938 34.512 32.500 0.123 0.000 1.099 199 K HN 0.494 nan 8.250 nan 0.000 0.435 200 I N 4.019 124.719 120.570 0.217 0.000 2.478 200 I HA 0.307 4.478 4.170 0.001 0.000 0.287 200 I C -1.018 175.240 176.117 0.236 0.000 1.042 200 I CA -0.856 60.600 61.300 0.259 0.000 1.067 200 I CB 1.555 39.662 38.000 0.179 0.000 1.233 200 I HN 0.345 nan 8.210 nan 0.000 0.431 201 I N 7.303 128.051 120.570 0.297 0.000 2.362 201 I HA 0.409 4.580 4.170 0.001 0.000 0.289 201 I C -0.182 176.065 176.117 0.217 0.000 0.994 201 I CA -0.882 60.596 61.300 0.296 0.000 1.158 201 I CB 1.524 39.812 38.000 0.480 0.000 1.315 201 I HN 0.100 nan 8.210 nan 0.000 0.451 202 V N 5.505 125.507 119.914 0.147 0.000 2.384 202 V HA 0.713 4.834 4.120 0.001 0.000 0.287 202 V C 0.316 176.417 176.094 0.012 0.000 1.020 202 V CA -0.593 61.757 62.300 0.082 0.000 0.850 202 V CB 1.643 33.527 31.823 0.102 0.000 0.987 202 V HN 0.866 nan 8.190 nan 0.000 0.436 203 A N 3.990 126.726 122.820 -0.140 0.000 2.360 203 A HA 0.758 5.079 4.320 0.001 0.000 0.309 203 A C -0.837 176.502 177.584 -0.407 0.000 1.311 203 A CA -0.315 51.464 52.037 -0.429 0.000 0.805 203 A CB 0.510 19.320 19.000 -0.317 0.000 1.144 203 A HN 0.737 nan 8.150 nan 0.000 0.486 204 D N 3.262 123.368 120.400 -0.491 0.000 2.931 204 D HA 0.337 4.978 4.640 0.001 0.000 0.215 204 D C -2.586 173.628 176.300 -0.145 0.000 1.297 204 D CA -1.298 52.619 54.000 -0.139 0.000 0.892 204 D CB 2.362 43.176 40.800 0.024 0.000 1.642 204 D HN 0.059 nan 8.370 nan 0.000 0.560 205 P HA -0.043 nan 4.420 nan 0.000 0.220 205 P C -0.102 177.244 177.300 0.076 0.000 1.144 205 P CA 0.994 64.110 63.100 0.028 0.000 0.800 205 P CB 0.288 32.043 31.700 0.092 0.000 0.772 206 R N -0.416 120.147 120.500 0.105 0.000 2.668 206 R HA 0.421 4.761 4.340 0.001 0.000 0.279 206 R C 0.342 176.687 176.300 0.074 0.000 0.976 206 R CA -0.840 55.319 56.100 0.099 0.000 0.978 206 R CB 1.454 31.798 30.300 0.073 0.000 1.133 206 R HN -0.133 nan 8.270 nan 0.000 0.484 207 R N 2.038 122.527 120.500 -0.019 0.000 2.233 207 R HA 0.174 4.514 4.340 0.001 0.000 0.334 207 R C -0.747 175.438 176.300 -0.191 0.000 1.037 207 R CA -0.129 55.798 56.100 -0.289 0.000 0.920 207 R CB 0.647 30.831 30.300 -0.193 0.000 1.137 207 R HN 0.817 nan 8.270 nan 0.000 0.492 208 T N 0.253 114.679 114.554 -0.214 0.000 2.938 208 T HA 0.208 4.559 4.350 0.001 0.000 0.285 208 T C 0.931 175.531 174.700 -0.166 0.000 1.028 208 T CA -0.880 61.133 62.100 -0.145 0.000 1.005 208 T CB 1.164 69.960 68.868 -0.119 0.000 1.157 208 T HN 0.507 nan 8.240 nan 0.000 0.550 209 N N 0.385 118.987 118.700 -0.164 0.000 2.258 209 N HA -0.092 4.649 4.740 0.001 0.000 0.187 209 N C 1.679 177.073 175.510 -0.193 0.000 1.012 209 N CA 1.542 54.492 53.050 -0.166 0.000 0.870 209 N CB -1.143 37.222 38.487 -0.203 0.000 0.977 209 N HN 0.721 nan 8.380 nan 0.000 0.434 210 T N -0.195 114.186 114.554 -0.288 0.000 2.759 210 T HA -0.164 4.187 4.350 0.001 0.000 0.269 210 T C 2.043 176.765 174.700 0.037 0.000 1.042 210 T CA 1.566 63.550 62.100 -0.194 0.000 1.140 210 T CB -0.504 68.259 68.868 -0.176 0.000 0.864 210 T HN 0.561 nan 8.240 nan 0.000 0.455 211 S N 1.428 117.080 115.700 -0.080 0.000 2.481 211 S HA 0.003 4.474 4.470 0.001 0.000 0.231 211 S C 1.892 176.479 174.600 -0.020 0.000 0.996 211 S CA 0.163 58.309 58.200 -0.090 0.000 0.942 211 S CB -0.271 62.703 63.200 -0.377 0.000 0.768 211 S HN 0.270 nan 8.310 nan 0.000 0.520 212 R N 1.331 121.834 120.500 0.004 0.000 2.280 212 R HA 0.196 4.537 4.340 0.001 0.000 0.207 212 R C 1.871 178.209 176.300 0.064 0.000 1.043 212 R CA 0.978 57.094 56.100 0.027 0.000 1.006 212 R CB -0.670 29.641 30.300 0.018 0.000 0.885 212 R HN 0.824 nan 8.270 nan 0.000 0.467 213 I N -3.254 117.379 120.570 0.104 0.000 4.018 213 I HA 0.345 4.516 4.170 0.001 0.000 0.337 213 I C 0.614 176.764 176.117 0.055 0.000 1.327 213 I CA -0.383 60.952 61.300 0.059 0.000 1.100 213 I CB 0.345 38.344 38.000 -0.001 0.000 1.025 213 I HN -0.247 nan 8.210 nan 0.000 0.396 214 A N 1.306 124.173 122.820 0.079 0.000 2.322 214 A HA 0.295 4.616 4.320 0.001 0.000 0.269 214 A C 0.205 177.847 177.584 0.097 0.000 1.094 214 A CA -0.148 51.949 52.037 0.099 0.000 0.807 214 A CB 0.272 19.343 19.000 0.119 0.000 1.047 214 A HN 0.404 nan 8.150 nan 0.000 0.487 215 D N -0.057 120.411 120.400 0.113 0.000 2.289 215 D HA 0.111 4.751 4.640 0.001 0.000 0.207 215 D C 0.354 176.725 176.300 0.119 0.000 0.966 215 D CA 1.035 55.100 54.000 0.108 0.000 0.868 215 D CB 0.148 41.016 40.800 0.113 0.000 0.943 215 D HN 0.494 nan 8.370 nan 0.000 0.514 216 M N 0.438 120.123 119.600 0.142 0.000 2.322 216 M HA 0.161 4.642 4.480 0.001 0.000 0.286 216 M C -2.033 174.364 176.300 0.162 0.000 1.111 216 M CA -0.637 54.749 55.300 0.145 0.000 0.941 216 M CB 2.262 34.958 32.600 0.161 0.000 1.671 216 M HN -0.066 nan 8.290 nan 0.000 0.470 217 H N 4.998 124.080 119.070 0.021 0.000 2.595 217 H HA 0.508 5.065 4.556 0.001 0.000 0.313 217 H C -1.788 173.481 175.328 -0.098 0.000 1.023 217 H CA -0.582 55.441 56.048 -0.040 0.000 1.218 217 H CB 1.213 30.952 29.762 -0.039 0.000 1.403 217 H HN 0.531 nan 8.280 nan 0.000 0.477 218 V N 5.432 125.058 119.914 -0.480 0.000 2.339 218 V HA 0.196 4.316 4.120 0.001 0.000 0.261 218 V C 0.799 176.262 176.094 -1.053 0.000 1.058 218 V CA -0.238 61.668 62.300 -0.657 0.000 0.897 218 V CB 0.447 31.889 31.823 -0.636 0.000 1.052 218 V HN 0.858 nan 8.190 nan 0.000 0.480 219 A N 6.817 129.087 122.820 -0.917 0.000 3.168 219 A HA 0.548 4.869 4.320 0.001 0.000 0.260 219 A C 0.207 177.584 177.584 -0.344 0.000 1.598 219 A CA -0.491 51.149 52.037 -0.663 0.000 1.285 219 A CB -0.817 17.931 19.000 -0.421 0.000 1.149 219 A HN 0.678 nan 8.150 nan 0.000 0.630 220 F N -0.795 119.008 119.950 -0.244 0.000 2.444 220 F HA 0.485 5.013 4.527 0.001 0.000 0.331 220 F C 0.730 176.446 175.800 -0.140 0.000 1.167 220 F CA -1.963 55.927 58.000 -0.182 0.000 1.262 220 F CB 0.272 39.130 39.000 -0.235 0.000 1.196 220 F HN 0.449 nan 8.300 nan 0.000 0.583 221 R N 2.162 122.755 120.500 0.155 0.000 2.570 221 R HA 0.201 4.542 4.340 0.001 0.000 0.277 221 R C -2.617 173.573 176.300 -0.182 0.000 1.039 221 R CA -1.207 54.880 56.100 -0.022 0.000 1.065 221 R CB -0.115 30.187 30.300 0.003 0.000 0.964 221 R HN 0.399 nan 8.270 nan 0.000 0.428 222 P HA -0.006 nan 4.420 nan 0.000 0.262 222 P C 0.157 177.199 177.300 -0.430 0.000 1.182 222 P CA 1.353 64.166 63.100 -0.479 0.000 0.761 222 P CB 0.836 32.054 31.700 -0.803 0.000 0.795 223 G N 2.441 111.078 108.800 -0.272 0.000 2.213 223 G HA2 -0.260 3.701 3.960 0.001 0.000 0.226 223 G HA3 -0.260 3.701 3.960 0.001 0.000 0.226 223 G C 0.791 175.582 174.900 -0.183 0.000 0.992 223 G CA 0.406 45.401 45.100 -0.175 0.000 0.632 223 G HN 0.635 nan 8.290 nan 0.000 0.511 224 T N -0.533 113.861 114.554 -0.268 0.000 3.105 224 T HA 0.310 4.661 4.350 0.001 0.000 0.253 224 T C 1.621 176.119 174.700 -0.337 0.000 1.047 224 T CA 1.154 63.132 62.100 -0.203 0.000 0.944 224 T CB 0.063 68.872 68.868 -0.099 0.000 1.016 224 T HN 0.327 nan 8.240 nan 0.000 0.544 225 D N 1.887 121.909 120.400 -0.631 0.000 2.219 225 D HA -0.069 4.572 4.640 0.001 0.000 0.205 225 D C 1.726 177.896 176.300 -0.217 0.000 0.970 225 D CA 0.407 54.018 54.000 -0.649 0.000 0.851 225 D CB -0.603 39.707 40.800 -0.816 0.000 0.943 225 D HN 0.366 nan 8.370 nan 0.000 0.488 226 L N 0.898 121.998 121.223 -0.206 0.000 2.017 226 L HA -0.071 4.269 4.340 0.001 0.000 0.208 226 L C 2.708 179.411 176.870 -0.279 0.000 1.073 226 L CA 1.820 56.521 54.840 -0.232 0.000 0.745 226 L CB -0.842 41.125 42.059 -0.153 0.000 0.894 226 L HN 0.118 nan 8.230 nan 0.000 0.432 227 A N -1.033 121.724 122.820 -0.104 0.000 1.908 227 A HA -0.278 4.043 4.320 0.001 0.000 0.218 227 A C 2.283 179.863 177.584 -0.007 0.000 1.181 227 A CA 1.708 53.740 52.037 -0.008 0.000 0.627 227 A CB -1.026 18.091 19.000 0.195 0.000 0.818 227 A HN 0.388 nan 8.150 nan 0.000 0.445 228 F N 0.141 120.034 119.950 -0.096 0.000 2.095 228 F HA -0.212 4.316 4.527 0.001 0.000 0.298 228 F C 2.360 178.127 175.800 -0.055 0.000 1.104 228 F CA 2.260 60.245 58.000 -0.026 0.000 1.232 228 F CB -0.174 38.862 39.000 0.060 0.000 0.987 228 F HN 0.157 nan 8.300 nan 0.000 0.475 229 M N -1.469 118.123 119.600 -0.013 0.000 2.288 229 M HA -0.146 4.334 4.480 0.001 0.000 0.266 229 M C 2.083 178.253 176.300 -0.217 0.000 1.072 229 M CA 0.768 55.993 55.300 -0.125 0.000 1.132 229 M CB -0.601 31.943 32.600 -0.093 0.000 1.386 229 M HN 0.116 nan 8.290 nan 0.000 0.432 230 H N -0.730 118.192 119.070 -0.247 0.000 2.353 230 H HA -0.047 4.510 4.556 0.001 0.000 0.300 230 H C 2.441 177.656 175.328 -0.189 0.000 1.090 230 H CA 1.392 57.265 56.048 -0.291 0.000 1.327 230 H CB -0.387 28.901 29.762 -0.790 0.000 1.383 230 H HN 0.258 nan 8.280 nan 0.000 0.508 231 S N -0.072 115.576 115.700 -0.087 0.000 2.382 231 S HA -0.105 4.365 4.470 0.001 0.000 0.228 231 S C 2.236 176.727 174.600 -0.182 0.000 1.027 231 S CA 0.899 59.023 58.200 -0.126 0.000 0.991 231 S CB -0.068 62.981 63.200 -0.251 0.000 0.823 231 S HN 0.269 nan 8.310 nan 0.000 0.469 232 M N 0.750 120.157 119.600 -0.321 0.000 2.086 232 M HA -0.095 4.386 4.480 0.001 0.000 0.261 232 M C 2.444 178.621 176.300 -0.204 0.000 1.067 232 M CA 1.550 56.661 55.300 -0.316 0.000 1.116 232 M CB -0.562 31.783 32.600 -0.425 0.000 1.348 232 M HN 0.392 nan 8.290 nan 0.000 0.407 233 A N -0.322 122.398 122.820 -0.165 0.000 1.948 233 A HA -0.246 4.075 4.320 0.001 0.000 0.220 233 A C 1.873 179.385 177.584 -0.121 0.000 1.177 233 A CA 1.724 53.694 52.037 -0.111 0.000 0.636 233 A CB -1.343 17.643 19.000 -0.024 0.000 0.815 233 A HN 0.773 nan 8.150 nan 0.000 0.449 234 W N 0.562 121.728 121.300 -0.223 0.000 2.333 234 W HA -0.224 4.437 4.660 0.001 0.000 0.316 234 W C 2.107 178.529 176.519 -0.161 0.000 1.215 234 W CA 2.645 59.864 57.345 -0.209 0.000 1.278 234 W CB -0.472 28.874 29.460 -0.190 0.000 1.154 234 W HN 0.113 nan 8.180 nan 0.000 0.486 235 V N 1.297 121.239 119.914 0.047 0.000 2.332 235 V HA -0.360 3.761 4.120 0.001 0.000 0.248 235 V C 2.215 178.222 176.094 -0.145 0.000 1.055 235 V CA 2.165 64.430 62.300 -0.057 0.000 1.038 235 V CB -0.990 30.822 31.823 -0.019 0.000 0.651 235 V HN 0.263 nan 8.190 nan 0.000 0.450 236 I N -0.529 119.972 120.570 -0.114 0.000 2.163 236 I HA -0.277 3.894 4.170 0.001 0.000 0.243 236 I C 2.288 178.366 176.117 -0.065 0.000 1.085 236 I CA 1.965 63.230 61.300 -0.058 0.000 1.347 236 I CB -0.308 37.667 38.000 -0.041 0.000 1.044 236 I HN 0.254 nan 8.210 nan 0.000 0.408 237 I N 0.558 121.037 120.570 -0.151 0.000 2.286 237 I HA -0.259 3.912 4.170 0.001 0.000 0.245 237 I C 2.265 178.238 176.117 -0.239 0.000 1.104 237 I CA 1.308 62.531 61.300 -0.127 0.000 1.397 237 I CB -0.392 37.486 38.000 -0.203 0.000 1.072 237 I HN 0.249 nan 8.210 nan 0.000 0.417 238 N N 1.051 119.441 118.700 -0.517 0.000 2.166 238 N HA -0.199 4.542 4.740 0.001 0.000 0.186 238 N C 1.340 176.694 175.510 -0.260 0.000 1.019 238 N CA 1.316 54.019 53.050 -0.579 0.000 0.856 238 N CB 0.069 37.847 38.487 -1.183 0.000 0.993 238 N HN 0.323 nan 8.380 nan 0.000 0.426 239 E N 0.126 120.230 120.200 -0.160 0.000 2.444 239 E HA 0.043 4.393 4.350 0.001 0.000 0.191 239 E C -0.688 175.910 176.600 -0.004 0.000 1.041 239 E CA -0.029 56.344 56.400 -0.046 0.000 0.883 239 E CB 0.159 29.864 29.700 0.008 0.000 1.024 239 E HN 0.377 nan 8.360 nan 0.000 0.470 240 E N 0.304 120.505 120.200 0.001 0.000 2.389 240 E HA -0.221 4.129 4.350 0.001 0.000 0.243 240 E C 0.307 176.951 176.600 0.073 0.000 1.154 240 E CA 0.062 56.495 56.400 0.056 0.000 0.723 240 E CB -1.432 28.298 29.700 0.050 0.000 1.261 240 E HN 0.392 nan 8.360 nan 0.000 0.390 241 L N 0.359 121.627 121.223 0.074 0.000 2.628 241 L HA 0.090 4.431 4.340 0.001 0.000 0.229 241 L C 1.243 178.192 176.870 0.132 0.000 1.137 241 L CA -0.169 54.725 54.840 0.089 0.000 0.909 241 L CB -0.267 41.836 42.059 0.074 0.000 1.137 241 L HN 0.237 nan 8.230 nan 0.000 0.470 242 D N -0.963 119.545 120.400 0.180 0.000 2.451 242 D HA 0.004 4.645 4.640 0.001 0.000 0.259 242 D C -0.160 176.309 176.300 0.282 0.000 1.201 242 D CA -0.434 53.732 54.000 0.277 0.000 1.028 242 D CB 1.037 42.073 40.800 0.392 0.000 1.095 242 D HN -0.188 nan 8.370 nan 0.000 0.539 243 N N 0.218 119.152 118.700 0.389 0.000 2.844 243 N HA 0.187 4.928 4.740 0.001 0.000 0.268 243 N C -2.030 173.512 175.510 0.054 0.000 1.574 243 N CA -1.945 51.258 53.050 0.255 0.000 0.838 243 N CB 1.120 39.776 38.487 0.282 0.000 1.177 243 N HN 0.107 nan 8.380 nan 0.000 0.495 244 P HA -0.145 nan 4.420 nan 0.000 0.218 244 P C 1.145 177.972 177.300 -0.788 0.000 1.148 244 P CA 0.889 63.335 63.100 -1.090 0.000 0.822 244 P CB 0.555 31.885 31.700 -0.617 0.000 0.784 245 R N -1.454 118.869 120.500 -0.294 0.000 2.120 245 R HA -0.083 4.258 4.340 0.001 0.000 0.234 245 R C 2.280 178.593 176.300 0.021 0.000 1.123 245 R CA 0.908 56.929 56.100 -0.130 0.000 0.975 245 R CB -1.319 28.981 30.300 0.000 0.000 0.866 245 R HN 0.294 nan 8.270 nan 0.000 0.446 246 F N 1.003 120.957 119.950 0.006 0.000 2.123 246 F HA -0.130 4.398 4.527 0.001 0.000 0.289 246 F C 2.365 178.319 175.800 0.257 0.000 1.099 246 F CA 1.081 59.245 58.000 0.272 0.000 1.234 246 F CB -0.520 38.659 39.000 0.299 0.000 1.034 246 F HN 0.092 nan 8.300 nan 0.000 0.479 247 W N 0.577 122.032 121.300 0.257 0.000 2.465 247 W HA -0.086 4.575 4.660 0.001 0.000 0.268 247 W C 1.441 177.964 176.519 0.006 0.000 1.242 247 W CA 0.699 58.103 57.345 0.099 0.000 1.248 247 W CB -1.356 28.230 29.460 0.210 0.000 1.118 247 W HN 0.235 nan 8.180 nan 0.000 0.587 248 Q N 0.672 120.253 119.800 -0.365 0.000 2.230 248 Q HA -0.108 4.233 4.340 0.001 0.000 0.202 248 Q C 2.425 178.314 176.000 -0.184 0.000 0.963 248 Q CA 1.328 56.954 55.803 -0.296 0.000 0.866 248 Q CB -0.116 28.282 28.738 -0.566 0.000 0.931 248 Q HN 0.324 nan 8.270 nan 0.000 0.452 249 R N -1.033 119.285 120.500 -0.303 0.000 2.225 249 R HA 0.022 4.363 4.340 0.001 0.000 0.194 249 R C 0.612 176.583 176.300 -0.549 0.000 0.957 249 R CA 0.446 56.250 56.100 -0.492 0.000 1.042 249 R CB 0.533 30.394 30.300 -0.732 0.000 1.004 249 R HN 0.231 nan 8.270 nan 0.000 0.509 250 Y N -0.815 119.359 120.300 -0.210 0.000 2.500 250 Y HA 0.323 4.873 4.550 0.001 0.000 0.246 250 Y C -0.239 175.553 175.900 -0.180 0.000 1.146 250 Y CA -0.520 57.464 58.100 -0.194 0.000 1.230 250 Y CB 1.656 39.801 38.460 -0.524 0.000 1.214 250 Y HN -0.239 nan 8.280 nan 0.000 0.526 251 V N 1.040 120.919 119.914 -0.058 0.000 2.735 251 V HA 0.372 4.493 4.120 0.001 0.000 0.310 251 V C -0.756 175.204 176.094 -0.224 0.000 1.061 251 V CA -1.051 61.133 62.300 -0.193 0.000 0.913 251 V CB 2.018 33.720 31.823 -0.202 0.000 1.005 251 V HN 0.101 nan 8.190 nan 0.000 0.428 252 N N 1.674 120.145 118.700 -0.382 0.000 2.335 252 N HA 0.666 5.407 4.740 0.001 0.000 0.304 252 N C -1.319 173.799 175.510 -0.653 0.000 1.135 252 N CA -0.359 52.494 53.050 -0.328 0.000 0.817 252 N CB 2.031 40.377 38.487 -0.236 0.000 1.294 252 N HN 0.420 nan 8.380 nan 0.000 0.497 253 F N 0.902 120.663 119.950 -0.315 0.000 2.480 253 F HA 0.546 5.074 4.527 0.001 0.000 0.329 253 F C 0.286 175.815 175.800 -0.452 0.000 1.091 253 F CA -0.674 57.072 58.000 -0.423 0.000 0.972 253 F CB 1.193 39.995 39.000 -0.329 0.000 1.150 253 F HN -0.021 nan 8.300 nan 0.000 0.467 254 M N 2.620 121.962 119.600 -0.430 0.000 2.259 254 M HA 0.257 4.738 4.480 0.001 0.000 0.304 254 M C -0.770 175.368 176.300 -0.270 0.000 1.019 254 M CA -1.170 53.871 55.300 -0.431 0.000 0.922 254 M CB 1.581 33.643 32.600 -0.898 0.000 1.600 254 M HN 0.665 nan 8.290 nan 0.000 0.433 255 D N 2.072 122.374 120.400 -0.164 0.000 2.380 255 D HA 0.364 5.005 4.640 0.001 0.000 0.254 255 D C 1.089 177.313 176.300 -0.127 0.000 1.288 255 D CA -0.240 53.672 54.000 -0.147 0.000 1.008 255 D CB 0.511 41.270 40.800 -0.068 0.000 1.099 255 D HN 0.611 nan 8.370 nan 0.000 0.537 256 A N -0.595 122.159 122.820 -0.110 0.000 2.131 256 A HA -0.178 4.142 4.320 0.001 0.000 0.220 256 A C 1.645 179.249 177.584 0.032 0.000 1.158 256 A CA 1.437 53.456 52.037 -0.031 0.000 0.665 256 A CB -0.738 18.339 19.000 0.129 0.000 0.795 256 A HN 0.656 nan 8.150 nan 0.000 0.460 257 E N -1.891 118.333 120.200 0.039 0.000 2.481 257 E HA 0.348 4.698 4.350 0.001 0.000 0.198 257 E C 0.921 177.575 176.600 0.090 0.000 1.027 257 E CA 0.339 56.778 56.400 0.065 0.000 0.900 257 E CB 0.269 30.002 29.700 0.054 0.000 0.993 257 E HN 0.647 nan 8.360 nan 0.000 0.482 258 G N 1.905 110.770 108.800 0.108 0.000 2.137 258 G HA2 -0.311 3.650 3.960 0.001 0.000 0.237 258 G HA3 -0.311 3.650 3.960 0.001 0.000 0.237 258 G C -0.088 174.856 174.900 0.074 0.000 1.002 258 G CA 0.076 45.297 45.100 0.201 0.000 0.702 258 G HN 0.137 nan 8.290 nan 0.000 0.515 259 K N 0.545 120.952 120.400 0.011 0.000 2.110 259 K HA 0.495 4.816 4.320 0.001 0.000 0.263 259 K C -2.509 174.054 176.600 -0.063 0.000 0.975 259 K CA -2.208 54.071 56.287 -0.014 0.000 0.895 259 K CB 1.522 34.023 32.500 0.002 0.000 1.060 259 K HN -0.043 nan 8.250 nan 0.000 0.448 260 P HA -0.043 nan 4.420 nan 0.000 0.266 260 P C -0.585 176.686 177.300 -0.049 0.000 1.195 260 P CA 0.301 63.357 63.100 -0.073 0.000 0.768 260 P CB 0.995 32.668 31.700 -0.045 0.000 0.838 261 S N 1.380 117.056 115.700 -0.041 0.000 3.331 261 S HA 0.725 5.196 4.470 0.001 0.000 0.316 261 S C -1.592 172.994 174.600 -0.023 0.000 1.104 261 S CA -0.381 57.797 58.200 -0.037 0.000 0.977 261 S CB 0.717 63.881 63.200 -0.060 0.000 1.370 261 S HN 0.547 nan 8.310 nan 0.000 0.731 262 D N -0.801 119.509 120.400 -0.149 0.000 2.768 262 D HA 0.260 4.901 4.640 0.001 0.000 0.327 262 D C 0.241 176.049 176.300 -0.821 0.000 1.302 262 D CA -0.617 53.188 54.000 -0.325 0.000 0.897 262 D CB -0.541 40.193 40.800 -0.109 0.000 1.420 262 D HN 0.360 nan 8.370 nan 0.000 0.494 263 F N 0.873 120.168 119.950 -1.093 0.000 2.134 263 F HA -0.082 4.445 4.527 0.001 0.000 0.299 263 F C 1.930 177.427 175.800 -0.505 0.000 1.097 263 F CA 1.725 59.037 58.000 -1.147 0.000 1.264 263 F CB -0.008 38.456 39.000 -0.893 0.000 1.001 263 F HN 0.244 nan 8.300 nan 0.000 0.479 264 E N 0.261 120.269 120.200 -0.321 0.000 2.110 264 E HA -0.136 4.215 4.350 0.001 0.000 0.193 264 E C 2.542 178.985 176.600 -0.262 0.000 0.988 264 E CA 1.119 57.346 56.400 -0.287 0.000 0.804 264 E CB -1.172 28.465 29.700 -0.105 0.000 0.745 264 E HN 0.541 nan 8.360 nan 0.000 0.458 265 G N 0.430 109.099 108.800 -0.218 0.000 2.418 265 G HA2 -0.298 3.663 3.960 0.001 0.000 0.217 265 G HA3 -0.298 3.663 3.960 0.001 0.000 0.217 265 G C 1.536 176.401 174.900 -0.059 0.000 1.158 265 G CA 0.677 45.704 45.100 -0.122 0.000 0.771 265 G HN 0.230 nan 8.290 nan 0.000 0.545 266 Y N 1.742 121.844 120.300 -0.330 0.000 2.114 266 Y HA -0.121 4.430 4.550 0.001 0.000 0.282 266 Y C 2.754 178.538 175.900 -0.193 0.000 1.165 266 Y CA 1.695 59.653 58.100 -0.235 0.000 1.148 266 Y CB -0.339 37.928 38.460 -0.323 0.000 0.972 266 Y HN 0.119 nan 8.280 nan 0.000 0.504 267 K N -0.508 119.633 120.400 -0.432 0.000 2.063 267 K HA -0.178 4.143 4.320 0.001 0.000 0.208 267 K C 2.272 178.751 176.600 -0.201 0.000 1.048 267 K CA 1.301 57.316 56.287 -0.453 0.000 0.928 267 K CB -0.414 31.754 32.500 -0.553 0.000 0.713 267 K HN 0.366 nan 8.250 nan 0.000 0.442 268 A N 0.791 123.536 122.820 -0.125 0.000 1.968 268 A HA -0.139 4.182 4.320 0.001 0.000 0.217 268 A C 1.931 179.516 177.584 0.002 0.000 1.169 268 A CA 0.873 52.880 52.037 -0.051 0.000 0.638 268 A CB -0.555 18.421 19.000 -0.040 0.000 0.812 268 A HN 0.367 nan 8.150 nan 0.000 0.446 269 F N 0.737 120.632 119.950 -0.092 0.000 2.102 269 F HA -0.099 4.428 4.527 0.001 0.000 0.298 269 F C 1.702 177.478 175.800 -0.040 0.000 1.105 269 F CA 1.661 59.629 58.000 -0.054 0.000 1.239 269 F CB -0.246 38.750 39.000 -0.006 0.000 0.991 269 F HN 0.119 nan 8.300 nan 0.000 0.474 270 L N 0.345 121.533 121.223 -0.058 0.000 2.362 270 L HA -0.144 4.197 4.340 0.001 0.000 0.219 270 L C 2.174 179.043 176.870 -0.003 0.000 1.134 270 L CA 0.651 55.461 54.840 -0.049 0.000 0.807 270 L CB -0.761 41.271 42.059 -0.045 0.000 0.927 270 L HN 0.116 nan 8.230 nan 0.000 0.447 271 E N 0.294 120.462 120.200 -0.053 0.000 2.331 271 E HA -0.168 4.183 4.350 0.001 0.000 0.199 271 E C 1.461 177.873 176.600 -0.314 0.000 1.008 271 E CA 0.647 56.980 56.400 -0.111 0.000 0.843 271 E CB -0.285 29.377 29.700 -0.063 0.000 0.761 271 E HN 0.565 nan 8.360 nan 0.000 0.507 272 N N -0.107 118.310 118.700 -0.472 0.000 2.571 272 N HA -0.110 4.631 4.740 0.001 0.000 0.189 272 N C -0.068 174.823 175.510 -1.031 0.000 1.154 272 N CA 0.562 53.145 53.050 -0.777 0.000 0.907 272 N CB 0.171 38.020 38.487 -1.063 0.000 0.977 272 N HN 0.243 nan 8.380 nan 0.000 0.449 273 Y N 0.319 120.392 120.300 -0.379 0.000 2.658 273 Y HA 0.313 4.864 4.550 0.001 0.000 0.273 273 Y C 0.024 175.646 175.900 -0.463 0.000 0.992 273 Y CA -0.690 57.214 58.100 -0.327 0.000 1.105 273 Y CB 0.064 38.390 38.460 -0.224 0.000 1.188 273 Y HN -0.294 nan 8.280 nan 0.000 0.616 274 R N 1.158 121.322 120.500 -0.559 0.000 2.623 274 R HA 0.039 4.380 4.340 0.001 0.000 0.271 274 R C -1.682 174.280 176.300 -0.563 0.000 1.043 274 R CA -1.138 54.423 56.100 -0.897 0.000 1.083 274 R CB 0.299 30.119 30.300 -0.800 0.000 0.974 274 R HN 0.101 nan 8.270 nan 0.000 0.436 275 P HA -0.221 nan 4.420 nan 0.000 0.216 275 P C 0.442 177.628 177.300 -0.190 0.000 1.157 275 P CA 1.427 64.305 63.100 -0.370 0.000 0.880 275 P CB 0.287 31.695 31.700 -0.486 0.000 0.791 276 E N -0.459 119.640 120.200 -0.168 0.000 2.077 276 E HA -0.180 4.171 4.350 0.001 0.000 0.193 276 E C 1.961 178.513 176.600 -0.081 0.000 0.989 276 E CA 1.151 57.504 56.400 -0.078 0.000 0.800 276 E CB -0.710 28.949 29.700 -0.068 0.000 0.746 276 E HN 0.270 nan 8.360 nan 0.000 0.452 277 K N 0.603 120.922 120.400 -0.134 0.000 2.062 277 K HA -0.048 4.273 4.320 0.001 0.000 0.205 277 K C 1.879 178.439 176.600 -0.066 0.000 1.051 277 K CA 0.939 57.160 56.287 -0.111 0.000 0.941 277 K CB 0.080 32.479 32.500 -0.167 0.000 0.719 277 K HN 0.046 nan 8.250 nan 0.000 0.440 278 V N 1.483 121.354 119.914 -0.071 0.000 2.548 278 V HA -0.152 3.969 4.120 0.001 0.000 0.249 278 V C 2.447 178.575 176.094 0.057 0.000 1.055 278 V CA 1.600 63.901 62.300 0.002 0.000 1.065 278 V CB -0.399 31.419 31.823 -0.009 0.000 0.681 278 V HN 0.410 nan 8.190 nan 0.000 0.462 279 A N 1.365 124.208 122.820 0.038 0.000 1.908 279 A HA -0.277 4.044 4.320 0.001 0.000 0.218 279 A C 2.178 179.807 177.584 0.076 0.000 1.181 279 A CA 2.080 54.168 52.037 0.085 0.000 0.627 279 A CB -0.442 18.599 19.000 0.068 0.000 0.818 279 A HN 0.783 nan 8.150 nan 0.000 0.445 280 E N -0.180 120.046 120.200 0.042 0.000 2.150 280 E HA -0.099 4.252 4.350 0.001 0.000 0.193 280 E C 1.738 178.369 176.600 0.051 0.000 0.985 280 E CA 1.232 57.656 56.400 0.040 0.000 0.814 280 E CB -0.478 29.233 29.700 0.018 0.000 0.752 280 E HN 0.609 nan 8.360 nan 0.000 0.466 281 I N 0.864 121.465 120.570 0.052 0.000 2.163 281 I HA -0.264 3.907 4.170 0.001 0.000 0.240 281 I C 2.000 178.166 176.117 0.081 0.000 1.081 281 I CA 0.938 62.274 61.300 0.060 0.000 1.353 281 I CB -0.183 37.851 38.000 0.058 0.000 1.054 281 I HN 0.325 nan 8.210 nan 0.000 0.407 282 C N 0.537 119.904 119.300 0.111 0.000 2.481 282 C HA 0.065 4.526 4.460 0.001 0.000 0.275 282 C C 0.964 176.033 174.990 0.131 0.000 1.419 282 C CA -0.281 58.822 59.018 0.142 0.000 1.773 282 C CB -1.074 26.820 27.740 0.256 0.000 1.862 282 C HN 0.466 nan 8.230 nan 0.000 0.530 283 R N -0.612 119.952 120.500 0.107 0.000 3.332 283 R HA -0.143 4.198 4.340 0.001 0.000 0.263 283 R C -0.513 175.836 176.300 0.082 0.000 1.053 283 R CA 0.928 57.079 56.100 0.086 0.000 0.705 283 R CB -2.598 27.749 30.300 0.079 0.000 1.166 283 R HN 0.632 nan 8.270 nan 0.000 0.427 284 V N -3.502 116.476 119.914 0.106 0.000 2.914 284 V HA 0.791 4.912 4.120 0.001 0.000 0.314 284 V C -2.236 173.924 176.094 0.110 0.000 1.084 284 V CA -2.793 59.566 62.300 0.098 0.000 0.963 284 V CB 2.506 34.406 31.823 0.129 0.000 1.025 284 V HN -0.104 nan 8.190 nan 0.000 0.432 285 P HA 0.187 nan 4.420 nan 0.000 0.266 285 P C 1.061 178.448 177.300 0.145 0.000 1.195 285 P CA -0.017 63.146 63.100 0.105 0.000 0.768 285 P CB 0.826 32.582 31.700 0.093 0.000 0.838 286 V N 2.790 122.788 119.914 0.140 0.000 2.469 286 V HA -0.230 3.890 4.120 0.001 0.000 0.251 286 V C 2.094 178.349 176.094 0.267 0.000 1.064 286 V CA 1.902 64.306 62.300 0.173 0.000 1.066 286 V CB -1.179 30.754 31.823 0.183 0.000 0.667 286 V HN 0.644 nan 8.190 nan 0.000 0.461 287 E N 0.537 120.883 120.200 0.244 0.000 2.268 287 E HA -0.240 4.110 4.350 0.001 0.000 0.195 287 E C 1.912 178.666 176.600 0.256 0.000 0.995 287 E CA 0.918 57.481 56.400 0.271 0.000 0.836 287 E CB -0.427 29.365 29.700 0.154 0.000 0.763 287 E HN 0.692 nan 8.360 nan 0.000 0.491 288 Q N 0.491 120.429 119.800 0.230 0.000 2.119 288 Q HA -0.023 4.318 4.340 0.001 0.000 0.201 288 Q C 2.471 178.659 176.000 0.313 0.000 0.972 288 Q CA 0.981 56.944 55.803 0.266 0.000 0.847 288 Q CB -0.180 28.713 28.738 0.257 0.000 0.903 288 Q HN 0.369 nan 8.270 nan 0.000 0.433 289 I N -0.261 120.422 120.570 0.189 0.000 2.179 289 I HA -0.303 3.868 4.170 0.001 0.000 0.242 289 I C 1.858 177.892 176.117 -0.137 0.000 1.088 289 I CA 1.454 62.654 61.300 -0.167 0.000 1.357 289 I CB -0.383 37.385 38.000 -0.387 0.000 1.051 289 I HN 0.154 nan 8.210 nan 0.000 0.409 290 Y N 0.940 121.265 120.300 0.041 0.000 2.200 290 Y HA -0.117 4.434 4.550 0.001 0.000 0.290 290 Y C 2.668 178.611 175.900 0.072 0.000 1.137 290 Y CA 1.420 59.554 58.100 0.058 0.000 1.163 290 Y CB -1.164 37.340 38.460 0.072 0.000 0.988 290 Y HN 0.111 nan 8.280 nan 0.000 0.518 291 G N -0.245 108.709 108.800 0.257 0.000 2.446 291 G HA2 -0.287 3.673 3.960 0.001 0.000 0.217 291 G HA3 -0.287 3.673 3.960 0.001 0.000 0.217 291 G C 1.927 176.942 174.900 0.193 0.000 1.168 291 G CA 1.208 46.430 45.100 0.204 0.000 0.771 291 G HN 0.474 nan 8.290 nan 0.000 0.551 292 A N 1.110 124.058 122.820 0.213 0.000 1.877 292 A HA 0.282 4.603 4.320 0.001 0.000 0.216 292 A C 2.847 180.501 177.584 0.116 0.000 1.186 292 A CA 2.367 54.541 52.037 0.229 0.000 0.620 292 A CB -0.887 18.338 19.000 0.376 0.000 0.822 292 A HN 0.838 nan 8.150 nan 0.000 0.443 293 A N -0.116 122.715 122.820 0.019 0.000 1.877 293 A HA -0.183 4.138 4.320 0.001 0.000 0.216 293 A C 2.258 179.886 177.584 0.075 0.000 1.186 293 A CA 1.698 53.713 52.037 -0.036 0.000 0.620 293 A CB -0.486 18.460 19.000 -0.090 0.000 0.822 293 A HN 0.555 nan 8.150 nan 0.000 0.443 294 R N -0.510 120.057 120.500 0.112 0.000 2.073 294 R HA -0.055 4.286 4.340 0.001 0.000 0.234 294 R C 2.547 178.923 176.300 0.127 0.000 1.134 294 R CA 1.263 57.436 56.100 0.122 0.000 0.952 294 R CB -0.569 29.808 30.300 0.130 0.000 0.850 294 R HN 0.506 nan 8.270 nan 0.000 0.433 295 A N 1.000 123.905 122.820 0.142 0.000 1.873 295 A HA -0.243 4.077 4.320 0.001 0.000 0.218 295 A C 2.046 179.702 177.584 0.121 0.000 1.193 295 A CA 1.505 53.621 52.037 0.132 0.000 0.629 295 A CB -0.863 18.234 19.000 0.162 0.000 0.826 295 A HN 0.374 nan 8.150 nan 0.000 0.447 296 F N 0.457 120.403 119.950 -0.006 0.000 2.065 296 F HA -0.177 4.351 4.527 0.001 0.000 0.298 296 F C 2.593 178.358 175.800 -0.059 0.000 1.112 296 F CA 1.964 59.925 58.000 -0.065 0.000 1.212 296 F CB -0.183 38.707 39.000 -0.183 0.000 0.975 296 F HN 0.262 nan 8.300 nan 0.000 0.476 297 A N -0.568 122.425 122.820 0.288 0.000 1.935 297 A HA -0.079 4.241 4.320 0.001 0.000 0.214 297 A C 1.976 179.619 177.584 0.098 0.000 1.178 297 A CA 1.337 53.492 52.037 0.197 0.000 0.640 297 A CB -0.645 18.448 19.000 0.155 0.000 0.825 297 A HN 0.518 nan 8.150 nan 0.000 0.447 298 E N 0.562 120.810 120.200 0.080 0.000 2.285 298 E HA 0.026 4.377 4.350 0.001 0.000 0.194 298 E C 0.196 176.813 176.600 0.027 0.000 0.997 298 E CA 0.093 56.526 56.400 0.055 0.000 0.845 298 E CB 0.021 29.756 29.700 0.058 0.000 0.782 298 E HN 0.408 nan 8.360 nan 0.000 0.491 299 S N 0.545 116.246 115.700 0.003 0.000 2.572 299 S HA 0.119 4.590 4.470 0.001 0.000 0.279 299 S C 1.138 175.713 174.600 -0.042 0.000 1.341 299 S CA -0.019 58.163 58.200 -0.031 0.000 1.043 299 S CB 1.375 64.529 63.200 -0.078 0.000 0.887 299 S HN 0.313 nan 8.310 nan 0.000 0.516 300 A N 2.251 125.049 122.820 -0.037 0.000 1.978 300 A HA 0.311 4.631 4.320 0.001 0.000 0.220 300 A C 0.962 178.513 177.584 -0.055 0.000 1.170 300 A CA 1.343 53.360 52.037 -0.032 0.000 0.636 300 A CB -0.279 18.708 19.000 -0.022 0.000 0.810 300 A HN 1.131 nan 8.150 nan 0.000 0.448 301 A N -1.475 121.287 122.820 -0.096 0.000 2.466 301 A HA 0.576 4.896 4.320 0.001 0.000 0.284 301 A C -0.479 176.980 177.584 -0.207 0.000 1.049 301 A CA -0.247 51.716 52.037 -0.123 0.000 0.760 301 A CB 0.763 19.700 19.000 -0.105 0.000 1.274 301 A HN 0.075 nan 8.150 nan 0.000 0.412 302 T N 2.894 117.304 114.554 -0.240 0.000 2.797 302 T HA 0.644 4.995 4.350 0.001 0.000 0.279 302 T C -0.278 174.321 174.700 -0.168 0.000 0.991 302 T CA -0.153 61.726 62.100 -0.368 0.000 0.979 302 T CB 1.141 69.548 68.868 -0.768 0.000 0.943 302 T HN 0.734 nan 8.240 nan 0.000 0.444 303 M N 2.592 122.095 119.600 -0.162 0.000 2.321 303 M HA 0.556 5.036 4.480 0.001 0.000 0.315 303 M C -0.904 175.576 176.300 0.300 0.000 1.052 303 M CA -0.362 54.985 55.300 0.079 0.000 0.936 303 M CB 1.311 33.866 32.600 -0.076 0.000 1.639 303 M HN 0.470 nan 8.290 nan 0.000 0.433 304 S N 4.573 120.621 115.700 0.579 0.000 2.617 304 S HA 0.839 5.309 4.470 0.001 0.000 0.283 304 S C -1.066 173.910 174.600 0.627 0.000 1.189 304 S CA -0.628 58.030 58.200 0.764 0.000 1.036 304 S CB 1.253 65.133 63.200 1.134 0.000 1.014 304 S HN 0.654 nan 8.310 nan 0.000 0.522 305 L N 2.322 123.880 121.223 0.559 0.000 2.493 305 L HA 0.728 5.069 4.340 0.001 0.000 0.265 305 L C -1.275 175.825 176.870 0.382 0.000 0.954 305 L CA -0.346 54.687 54.840 0.321 0.000 0.844 305 L CB 1.606 43.799 42.059 0.223 0.000 1.302 305 L HN 0.934 nan 8.230 nan 0.000 0.405 306 W N 1.600 122.987 121.300 0.146 0.000 3.074 306 W HA 0.810 5.471 4.660 0.001 0.000 0.332 306 W C -1.092 175.486 176.519 0.098 0.000 1.253 306 W CA -0.707 56.690 57.345 0.086 0.000 1.180 306 W CB 0.859 30.356 29.460 0.062 0.000 1.445 306 W HN 0.626 nan 8.180 nan 0.000 0.573 307 C N 0.788 120.263 119.300 0.292 0.000 4.239 307 C HA 0.345 4.806 4.460 0.001 0.000 0.179 307 C C 1.613 176.750 174.990 0.245 0.000 3.668 307 C CA -0.123 59.020 59.018 0.207 0.000 1.689 307 C CB 0.240 28.091 27.740 0.185 0.000 4.158 307 C HN 0.826 nan 8.230 nan 0.000 0.461 308 M N 1.506 121.212 119.600 0.178 0.000 2.419 308 M HA 0.131 4.612 4.480 0.001 0.000 0.264 308 M C 1.875 178.246 176.300 0.119 0.000 1.082 308 M CA 1.487 56.868 55.300 0.134 0.000 1.119 308 M CB -1.983 30.667 32.600 0.083 0.000 1.398 308 M HN 0.841 nan 8.290 nan 0.000 0.453 309 G N 0.628 109.507 108.800 0.130 0.000 2.450 309 G HA2 -0.164 3.796 3.960 0.001 0.000 0.220 309 G HA3 -0.164 3.796 3.960 0.001 0.000 0.220 309 G C 1.550 176.505 174.900 0.090 0.000 1.130 309 G CA 0.484 45.651 45.100 0.112 0.000 0.760 309 G HN 0.321 nan 8.290 nan 0.000 0.557 310 I N 0.947 121.591 120.570 0.122 0.000 2.429 310 I HA 0.013 4.184 4.170 0.001 0.000 0.247 310 I C 2.025 178.184 176.117 0.070 0.000 1.099 310 I CA 0.775 62.116 61.300 0.069 0.000 1.422 310 I CB -0.812 37.225 38.000 0.061 0.000 1.112 310 I HN 0.068 nan 8.210 nan 0.000 0.430 311 N N 0.908 119.693 118.700 0.142 0.000 2.250 311 N HA -0.089 4.652 4.740 0.001 0.000 0.181 311 N C 0.895 176.451 175.510 0.076 0.000 1.017 311 N CA 0.598 53.722 53.050 0.123 0.000 0.866 311 N CB -0.229 38.363 38.487 0.175 0.000 0.985 311 N HN 0.413 nan 8.380 nan 0.000 0.429 312 Q N 1.152 120.999 119.800 0.078 0.000 3.247 312 Q HA 0.200 4.541 4.340 0.001 0.000 0.326 312 Q C -0.535 175.480 176.000 0.025 0.000 1.402 312 Q CA 0.125 55.971 55.803 0.071 0.000 0.994 312 Q CB 0.227 29.034 28.738 0.115 0.000 1.647 312 Q HN 0.023 nan 8.270 nan 0.000 0.523 313 R N -0.056 120.437 120.500 -0.011 0.000 2.668 313 R HA 0.116 4.457 4.340 0.001 0.000 0.272 313 R C 0.696 176.950 176.300 -0.078 0.000 1.019 313 R CA -0.329 55.749 56.100 -0.037 0.000 0.894 313 R CB 1.278 31.558 30.300 -0.034 0.000 1.228 313 R HN 0.212 nan 8.270 nan 0.000 0.460 314 V N -0.865 118.995 119.914 -0.090 0.000 2.913 314 V HA -0.067 4.054 4.120 0.001 0.000 0.260 314 V C 0.856 176.832 176.094 -0.196 0.000 1.098 314 V CA 1.325 63.546 62.300 -0.132 0.000 1.121 314 V CB -0.346 31.409 31.823 -0.113 0.000 0.714 314 V HN 0.604 nan 8.190 nan 0.000 0.487 315 Q N 0.478 120.181 119.800 -0.161 0.000 2.201 315 Q HA 0.328 4.669 4.340 0.001 0.000 0.236 315 Q C 1.857 177.777 176.000 -0.133 0.000 0.857 315 Q CA 0.368 56.050 55.803 -0.202 0.000 1.025 315 Q CB 0.900 29.592 28.738 -0.077 0.000 1.124 315 Q HN 0.713 nan 8.270 nan 0.000 0.473 316 G N 0.458 109.184 108.800 -0.122 0.000 2.446 316 G HA2 -0.229 3.732 3.960 0.001 0.000 0.217 316 G HA3 -0.229 3.732 3.960 0.001 0.000 0.217 316 G C 1.357 176.228 174.900 -0.047 0.000 1.168 316 G CA 0.729 45.791 45.100 -0.063 0.000 0.771 316 G HN 0.254 nan 8.290 nan 0.000 0.551 317 V N 0.513 120.385 119.914 -0.070 0.000 2.358 317 V HA -0.088 4.033 4.120 0.001 0.000 0.246 317 V C 2.561 178.715 176.094 0.100 0.000 1.047 317 V CA 1.316 63.613 62.300 -0.005 0.000 1.035 317 V CB -0.618 31.178 31.823 -0.045 0.000 0.658 317 V HN 0.239 nan 8.190 nan 0.000 0.452 318 F N 1.108 120.967 119.950 -0.152 0.000 2.095 318 F HA -0.160 4.368 4.527 0.001 0.000 0.298 318 F C 2.543 178.238 175.800 -0.175 0.000 1.104 318 F CA 1.102 59.011 58.000 -0.152 0.000 1.232 318 F CB -1.610 37.330 39.000 -0.100 0.000 0.987 318 F HN 0.142 nan 8.300 nan 0.000 0.475 319 A N 0.202 123.032 122.820 0.018 0.000 1.940 319 A HA -0.231 4.090 4.320 0.001 0.000 0.219 319 A C 2.234 179.645 177.584 -0.288 0.000 1.176 319 A CA 1.926 53.880 52.037 -0.138 0.000 0.631 319 A CB -0.938 17.983 19.000 -0.132 0.000 0.814 319 A HN 0.444 nan 8.150 nan 0.000 0.446 320 N N -0.086 118.447 118.700 -0.278 0.000 2.080 320 N HA -0.159 4.582 4.740 0.001 0.000 0.189 320 N C 1.588 176.801 175.510 -0.495 0.000 1.036 320 N CA 1.656 54.412 53.050 -0.491 0.000 0.846 320 N CB -0.444 37.916 38.487 -0.210 0.000 1.015 320 N HN 0.669 nan 8.380 nan 0.000 0.423 321 N N 0.782 119.384 118.700 -0.164 0.000 2.094 321 N HA -0.158 4.582 4.740 0.001 0.000 0.191 321 N C 1.554 177.015 175.510 -0.082 0.000 1.023 321 N CA 0.803 53.838 53.050 -0.025 0.000 0.857 321 N CB -0.091 38.370 38.487 -0.043 0.000 1.013 321 N HN 0.058 nan 8.380 nan 0.000 0.426 322 L N 0.787 121.908 121.223 -0.171 0.000 2.141 322 L HA -0.058 4.283 4.340 0.001 0.000 0.209 322 L C 1.855 178.623 176.870 -0.170 0.000 1.094 322 L CA 1.250 55.983 54.840 -0.179 0.000 0.763 322 L CB -0.462 41.419 42.059 -0.297 0.000 0.908 322 L HN 0.260 nan 8.230 nan 0.000 0.437 323 I N -1.759 118.639 120.570 -0.287 0.000 2.252 323 I HA -0.280 3.891 4.170 0.001 0.000 0.245 323 I C 2.464 178.601 176.117 0.033 0.000 1.102 323 I CA 0.770 61.948 61.300 -0.203 0.000 1.385 323 I CB -0.514 37.126 38.000 -0.600 0.000 1.064 323 I HN 0.307 nan 8.210 nan 0.000 0.414 324 H N 0.972 120.076 119.070 0.057 0.000 2.387 324 H HA -0.107 4.450 4.556 0.001 0.000 0.299 324 H C 2.047 177.468 175.328 0.155 0.000 1.090 324 H CA 1.234 57.404 56.048 0.204 0.000 1.332 324 H CB -0.669 29.175 29.762 0.137 0.000 1.386 324 H HN 0.336 nan 8.280 nan 0.000 0.516 325 N N 0.881 119.666 118.700 0.141 0.000 2.061 325 N HA -0.133 4.608 4.740 0.001 0.000 0.193 325 N C 2.259 177.816 175.510 0.079 0.000 1.030 325 N CA 0.724 53.806 53.050 0.053 0.000 0.856 325 N CB -0.657 37.863 38.487 0.055 0.000 1.023 325 N HN 0.303 nan 8.380 nan 0.000 0.424 326 L N 0.030 121.249 121.223 -0.007 0.000 2.042 326 L HA -0.197 4.144 4.340 0.001 0.000 0.210 326 L C 2.203 179.074 176.870 0.002 0.000 1.076 326 L CA 1.220 55.913 54.840 -0.245 0.000 0.749 326 L CB -0.532 41.013 42.059 -0.856 0.000 0.893 326 L HN 0.390 nan 8.230 nan 0.000 0.432 327 H N -0.360 118.885 119.070 0.290 0.000 2.395 327 H HA -0.032 4.525 4.556 0.001 0.000 0.299 327 H C 2.385 177.845 175.328 0.220 0.000 1.070 327 H CA 1.194 57.459 56.048 0.361 0.000 1.356 327 H CB 0.175 30.174 29.762 0.395 0.000 1.401 327 H HN 0.335 nan 8.280 nan 0.000 0.524 328 L N -0.047 121.368 121.223 0.320 0.000 2.072 328 L HA -0.127 4.214 4.340 0.001 0.000 0.205 328 L C 2.455 179.544 176.870 0.364 0.000 1.079 328 L CA 0.512 55.534 54.840 0.303 0.000 0.752 328 L CB -0.209 41.911 42.059 0.102 0.000 0.906 328 L HN 0.121 nan 8.230 nan 0.000 0.436 329 I N 0.039 120.768 120.570 0.264 0.000 2.614 329 I HA -0.212 3.959 4.170 0.001 0.000 0.258 329 I C 2.326 178.688 176.117 0.409 0.000 1.189 329 I CA 1.680 63.182 61.300 0.337 0.000 1.462 329 I CB -0.165 38.017 38.000 0.303 0.000 1.092 329 I HN 0.332 nan 8.210 nan 0.000 0.442 330 T N -3.346 111.380 114.554 0.287 0.000 3.022 330 T HA 0.306 4.656 4.350 0.001 0.000 0.250 330 T C 1.569 176.337 174.700 0.112 0.000 1.060 330 T CA 0.266 62.502 62.100 0.228 0.000 1.013 330 T CB -0.103 68.900 68.868 0.225 0.000 0.982 330 T HN 0.442 nan 8.240 nan 0.000 0.508 331 G N 2.142 110.927 108.800 -0.024 0.000 2.225 331 G HA2 -0.247 3.714 3.960 0.001 0.000 0.267 331 G HA3 -0.247 3.714 3.960 0.001 0.000 0.267 331 G C 0.182 174.842 174.900 -0.399 0.000 1.024 331 G CA 0.019 44.713 45.100 -0.677 0.000 0.784 331 G HN 0.562 nan 8.290 nan 0.000 0.507 332 Q N -0.410 119.341 119.800 -0.081 0.000 3.184 332 Q HA 0.552 4.892 4.340 0.001 0.000 0.288 332 Q C 0.460 176.539 176.000 0.131 0.000 1.412 332 Q CA 0.445 56.261 55.803 0.022 0.000 0.991 332 Q CB 0.079 28.831 28.738 0.024 0.000 1.688 332 Q HN 0.772 nan 8.270 nan 0.000 0.554 333 I N -2.030 118.485 120.570 -0.092 0.000 2.947 333 I HA 0.103 4.274 4.170 0.001 0.000 0.301 333 I C -0.514 175.462 176.117 -0.236 0.000 1.453 333 I CA -0.483 60.771 61.300 -0.075 0.000 0.984 333 I CB 1.867 39.892 38.000 0.042 0.000 1.333 333 I HN 0.419 nan 8.210 nan 0.000 0.475 334 C N 2.985 122.183 119.300 -0.171 0.000 4.456 334 C HA -0.151 4.309 4.460 0.001 0.000 0.288 334 C C 0.358 175.278 174.990 -0.117 0.000 1.374 334 C CA 0.591 59.458 59.018 -0.251 0.000 1.956 334 C CB -2.757 24.545 27.740 -0.730 0.000 1.255 334 C HN 0.708 nan 8.230 nan 0.000 0.788 335 R N -0.565 119.898 120.500 -0.063 0.000 2.698 335 R HA 0.475 4.816 4.340 0.001 0.000 0.275 335 R C -2.876 173.414 176.300 -0.016 0.000 1.001 335 R CA -1.716 54.384 56.100 -0.001 0.000 0.896 335 R CB 1.187 31.486 30.300 -0.001 0.000 1.218 335 R HN -0.129 nan 8.270 nan 0.000 0.462 336 P HA -0.029 nan 4.420 nan 0.000 0.256 336 P C 0.486 177.765 177.300 -0.035 0.000 1.173 336 P CA 1.366 64.455 63.100 -0.019 0.000 0.768 336 P CB 0.448 32.142 31.700 -0.009 0.000 0.758 337 G N 2.821 111.593 108.800 -0.047 0.000 2.199 337 G HA2 -0.170 3.791 3.960 0.001 0.000 0.254 337 G HA3 -0.170 3.791 3.960 0.001 0.000 0.254 337 G C 0.287 175.127 174.900 -0.100 0.000 0.982 337 G CA -0.012 45.037 45.100 -0.084 0.000 0.632 337 G HN 0.859 nan 8.290 nan 0.000 0.529 338 A N 0.641 123.429 122.820 -0.054 0.000 2.431 338 A HA 0.847 5.168 4.320 0.001 0.000 0.318 338 A C 0.231 177.828 177.584 0.022 0.000 1.330 338 A CA 0.872 52.897 52.037 -0.021 0.000 0.804 338 A CB 0.746 19.724 19.000 -0.036 0.000 1.135 338 A HN 1.547 nan 8.150 nan 0.000 0.483 339 T N -1.574 113.011 114.554 0.052 0.000 2.769 339 T HA 0.541 4.891 4.350 0.001 0.000 0.306 339 T C -0.463 174.148 174.700 -0.149 0.000 1.400 339 T CA -0.633 61.463 62.100 -0.007 0.000 1.007 339 T CB 1.513 70.423 68.868 0.070 0.000 1.392 339 T HN 0.493 nan 8.240 nan 0.000 0.500 340 S N 0.580 116.186 115.700 -0.157 0.000 2.474 340 S HA 0.590 5.061 4.470 0.001 0.000 0.320 340 S C -1.444 173.394 174.600 0.397 0.000 1.067 340 S CA -0.764 57.486 58.200 0.083 0.000 1.127 340 S CB -0.747 62.628 63.200 0.292 0.000 0.971 340 S HN 0.559 nan 8.310 nan 0.000 0.472 341 F N 5.021 125.037 119.950 0.109 0.000 2.359 341 F HA 0.426 4.954 4.527 0.001 0.000 0.369 341 F C 0.399 175.758 175.800 -0.734 0.000 1.084 341 F CA -0.470 57.442 58.000 -0.146 0.000 1.096 341 F CB 0.949 39.922 39.000 -0.045 0.000 1.335 341 F HN 0.481 nan 8.300 nan 0.000 0.457 342 S N 5.863 120.850 115.700 -1.189 0.000 2.537 342 S HA 0.328 4.799 4.470 0.001 0.000 0.286 342 S C -0.242 173.966 174.600 -0.654 0.000 1.299 342 S CA -0.378 56.985 58.200 -1.395 0.000 1.067 342 S CB 0.163 63.063 63.200 -0.500 0.000 0.864 342 S HN 0.624 nan 8.310 nan 0.000 0.494 343 L N 4.658 125.626 121.223 -0.424 0.000 2.289 343 L HA 0.376 4.717 4.340 0.001 0.000 0.285 343 L C 0.467 177.324 176.870 -0.022 0.000 1.049 343 L CA -0.513 54.261 54.840 -0.110 0.000 0.804 343 L CB 1.662 43.562 42.059 -0.265 0.000 1.195 343 L HN 0.581 nan 8.230 nan 0.000 0.428 344 T N 1.774 116.400 114.554 0.119 0.000 2.829 344 T HA 0.255 4.605 4.350 0.001 0.000 0.282 344 T C 0.993 175.899 174.700 0.343 0.000 0.990 344 T CA -0.187 62.030 62.100 0.195 0.000 1.028 344 T CB 1.819 70.796 68.868 0.182 0.000 0.951 344 T HN 0.819 nan 8.240 nan 0.000 0.460 345 G N 1.671 110.648 108.800 0.296 0.000 2.404 345 G HA2 -0.008 3.953 3.960 0.001 0.000 0.213 345 G HA3 -0.008 3.953 3.960 0.001 0.000 0.213 345 G C 0.539 175.637 174.900 0.330 0.000 1.189 345 G CA 0.361 45.645 45.100 0.307 0.000 0.796 345 G HN 0.589 nan 8.290 nan 0.000 0.532 346 Q N 0.231 120.213 119.800 0.303 0.000 2.312 346 Q HA 0.191 4.532 4.340 0.001 0.000 0.236 346 Q C -1.387 174.728 176.000 0.190 0.000 0.965 346 Q CA -1.877 54.141 55.803 0.357 0.000 0.894 346 Q CB 1.886 30.789 28.738 0.275 0.000 1.225 346 Q HN 0.075 nan 8.270 nan 0.000 0.478 347 P HA -0.124 nan 4.420 nan 0.000 0.218 347 P C 0.250 177.347 177.300 -0.338 0.000 1.149 347 P CA 1.505 64.451 63.100 -0.257 0.000 0.817 347 P CB 0.405 31.699 31.700 -0.677 0.000 0.785 348 N N -1.756 116.770 118.700 -0.290 0.000 2.387 348 N HA 0.276 5.016 4.740 0.001 0.000 0.259 348 N C 1.090 176.639 175.510 0.064 0.000 1.369 348 N CA 0.041 53.032 53.050 -0.098 0.000 0.867 348 N CB -0.194 38.235 38.487 -0.097 0.000 1.341 348 N HN -0.188 nan 8.380 nan 0.000 0.495 349 A N -0.320 122.559 122.820 0.099 0.000 1.908 349 A HA -0.172 4.149 4.320 0.001 0.000 0.218 349 A C 2.283 179.969 177.584 0.171 0.000 1.181 349 A CA 1.643 53.763 52.037 0.138 0.000 0.627 349 A CB -0.905 18.185 19.000 0.151 0.000 0.818 349 A HN 0.501 nan 8.150 nan 0.000 0.445 350 C N -1.291 118.130 119.300 0.200 0.000 2.496 350 C HA 0.067 4.528 4.460 0.001 0.000 0.281 350 C C 3.078 178.267 174.990 0.332 0.000 1.250 350 C CA 0.643 59.828 59.018 0.278 0.000 1.717 350 C CB -1.673 26.246 27.740 0.299 0.000 2.082 350 C HN 0.683 nan 8.230 nan 0.000 0.472 351 G N 0.182 109.171 108.800 0.315 0.000 2.459 351 G HA2 -0.006 3.955 3.960 0.001 0.000 0.217 351 G HA3 -0.006 3.955 3.960 0.001 0.000 0.217 351 G C 1.781 176.773 174.900 0.153 0.000 1.183 351 G CA 1.276 46.496 45.100 0.201 0.000 0.776 351 G HN 0.612 nan 8.290 nan 0.000 0.552 352 G N -0.755 108.125 108.800 0.134 0.000 2.430 352 G HA2 0.118 4.079 3.960 0.001 0.000 0.216 352 G HA3 0.118 4.079 3.960 0.001 0.000 0.216 352 G C 1.471 176.403 174.900 0.053 0.000 1.146 352 G CA 1.347 46.503 45.100 0.093 0.000 0.793 352 G HN 0.374 nan 8.290 nan 0.000 0.537 353 V N -0.611 119.357 119.914 0.091 0.000 2.996 353 V HA 0.165 4.286 4.120 0.001 0.000 0.235 353 V C 2.543 178.685 176.094 0.080 0.000 1.205 353 V CA 0.504 62.851 62.300 0.079 0.000 1.225 353 V CB -0.099 31.788 31.823 0.108 0.000 0.995 353 V HN 0.122 nan 8.190 nan 0.000 0.484 354 R N 0.917 121.499 120.500 0.136 0.000 2.056 354 R HA -0.087 4.254 4.340 0.001 0.000 0.227 354 R C 2.016 178.396 176.300 0.134 0.000 1.149 354 R CA 1.897 58.095 56.100 0.163 0.000 0.937 354 R CB -0.454 29.986 30.300 0.234 0.000 0.835 354 R HN 0.434 nan 8.270 nan 0.000 0.430 355 D N -0.297 120.222 120.400 0.199 0.000 2.178 355 D HA -0.089 4.551 4.640 0.001 0.000 0.201 355 D C 1.701 178.031 176.300 0.050 0.000 0.980 355 D CA 1.423 55.486 54.000 0.106 0.000 0.842 355 D CB -0.402 40.597 40.800 0.332 0.000 0.948 355 D HN 0.448 nan 8.370 nan 0.000 0.472 356 G N -0.556 108.242 108.800 -0.003 0.000 2.880 356 G HA2 0.249 4.210 3.960 0.001 0.000 0.209 356 G HA3 0.249 4.210 3.960 0.001 0.000 0.209 356 G C 1.129 175.868 174.900 -0.269 0.000 1.157 356 G CA 0.318 45.215 45.100 -0.338 0.000 0.779 356 G HN 0.440 nan 8.290 nan 0.000 0.539 357 G N -0.434 108.284 108.800 -0.136 0.000 2.295 357 G HA2 0.078 4.039 3.960 0.001 0.000 0.287 357 G HA3 0.078 4.039 3.960 0.001 0.000 0.287 357 G C 0.610 175.448 174.900 -0.102 0.000 1.055 357 G CA 0.258 45.284 45.100 -0.123 0.000 0.922 357 G HN 1.286 nan 8.290 nan 0.000 0.503 358 A N -0.276 122.508 122.820 -0.060 0.000 2.988 358 A HA 0.701 5.022 4.320 0.001 0.000 0.288 358 A C 0.517 178.134 177.584 0.056 0.000 1.385 358 A CA 0.061 52.087 52.037 -0.018 0.000 1.001 358 A CB 0.145 19.138 19.000 -0.012 0.000 1.071 358 A HN 0.447 nan 8.150 nan 0.000 0.608 359 L N -0.842 120.395 121.223 0.023 0.000 2.271 359 L HA 0.422 4.762 4.340 0.001 0.000 0.265 359 L C 1.808 178.725 176.870 0.077 0.000 1.013 359 L CA 0.395 55.288 54.840 0.089 0.000 0.820 359 L CB 1.374 43.495 42.059 0.102 0.000 1.352 359 L HN 0.358 nan 8.230 nan 0.000 0.443 360 S N -0.796 115.032 115.700 0.214 0.000 2.474 360 S HA -0.125 4.346 4.470 0.001 0.000 0.235 360 S C 1.095 175.817 174.600 0.202 0.000 0.997 360 S CA 1.128 59.456 58.200 0.214 0.000 0.949 360 S CB -0.504 62.847 63.200 0.251 0.000 0.766 360 S HN 0.774 nan 8.310 nan 0.000 0.517 361 H N -0.119 119.016 119.070 0.108 0.000 2.755 361 H HA 0.531 5.087 4.556 0.001 0.000 0.273 361 H C 0.225 175.606 175.328 0.088 0.000 1.055 361 H CA -0.585 55.519 56.048 0.094 0.000 1.191 361 H CB -0.249 29.571 29.762 0.097 0.000 1.536 361 H HN 0.340 nan 8.280 nan 0.000 0.529 362 L N 1.094 122.154 121.223 -0.272 0.000 2.303 362 L HA 0.540 4.881 4.340 0.001 0.000 0.266 362 L C -0.562 176.244 176.870 -0.108 0.000 1.011 362 L CA -1.079 53.621 54.840 -0.233 0.000 0.818 362 L CB 2.589 44.449 42.059 -0.332 0.000 1.326 362 L HN -0.002 nan 8.230 nan 0.000 0.435 363 L N 0.957 122.114 121.223 -0.110 0.000 2.350 363 L HA 0.557 4.898 4.340 0.001 0.000 0.260 363 L C -2.426 174.332 176.870 -0.187 0.000 1.015 363 L CA -1.950 52.801 54.840 -0.148 0.000 0.821 363 L CB 2.691 44.651 42.059 -0.166 0.000 1.370 363 L HN 0.267 nan 8.230 nan 0.000 0.416 364 P HA 0.023 nan 4.420 nan 0.000 0.267 364 P C -0.335 176.909 177.300 -0.092 0.000 1.200 364 P CA 0.256 63.260 63.100 -0.160 0.000 0.772 364 P CB 0.530 32.153 31.700 -0.128 0.000 0.855 365 A N 2.822 125.597 122.820 -0.074 0.000 2.667 365 A HA 0.055 4.375 4.320 0.001 0.000 0.298 365 A C 1.230 178.556 177.584 -0.430 0.000 1.483 365 A CA 0.938 52.698 52.037 -0.462 0.000 0.738 365 A CB -2.410 16.473 19.000 -0.196 0.000 1.067 365 A HN 1.167 nan 8.150 nan 0.000 0.451 366 G N -1.760 106.821 108.800 -0.365 0.000 2.160 366 G HA2 -0.246 3.715 3.960 0.001 0.000 0.244 366 G HA3 -0.246 3.715 3.960 0.001 0.000 0.244 366 G C 0.091 174.952 174.900 -0.066 0.000 1.022 366 G CA 0.864 45.985 45.100 0.034 0.000 0.741 366 G HN 1.241 nan 8.290 nan 0.000 0.508 367 R N -0.268 120.108 120.500 -0.206 0.000 2.643 367 R HA 0.786 5.127 4.340 0.001 0.000 0.272 367 R C 0.150 176.443 176.300 -0.011 0.000 0.995 367 R CA 0.072 55.959 56.100 -0.355 0.000 1.032 367 R CB 1.582 31.602 30.300 -0.466 0.000 1.126 367 R HN 0.585 nan 8.270 nan 0.000 0.505 368 A N 2.068 125.046 122.820 0.263 0.000 2.386 368 A HA 0.339 4.660 4.320 0.001 0.000 0.311 368 A C 0.875 178.552 177.584 0.154 0.000 1.068 368 A CA -0.714 51.441 52.037 0.196 0.000 0.743 368 A CB 0.829 19.972 19.000 0.238 0.000 1.258 368 A HN 0.615 nan 8.150 nan 0.000 0.429 369 I N 1.572 122.202 120.570 0.100 0.000 2.118 369 I HA -0.123 4.048 4.170 0.001 0.000 0.241 369 I C -0.651 175.516 176.117 0.083 0.000 1.070 369 I CA 1.814 63.166 61.300 0.086 0.000 1.327 369 I CB -1.984 36.070 38.000 0.091 0.000 1.034 369 I HN 0.435 nan 8.210 nan 0.000 0.405 370 P HA -0.078 nan 4.420 nan 0.000 0.231 370 P C 0.388 177.709 177.300 0.035 0.000 1.158 370 P CA 0.752 63.891 63.100 0.063 0.000 0.763 370 P CB -0.268 31.474 31.700 0.071 0.000 0.805 371 N N 0.379 119.096 118.700 0.029 0.000 2.420 371 N HA 0.197 4.938 4.740 0.001 0.000 0.249 371 N C 1.109 176.597 175.510 -0.037 0.000 1.033 371 N CA -0.049 52.966 53.050 -0.059 0.000 0.944 371 N CB 1.093 39.445 38.487 -0.226 0.000 1.113 371 N HN -0.172 nan 8.380 nan 0.000 0.502 372 A N 4.846 127.644 122.820 -0.037 0.000 1.908 372 A HA -0.180 4.141 4.320 0.001 0.000 0.218 372 A C 1.933 179.513 177.584 -0.006 0.000 1.181 372 A CA 1.472 53.503 52.037 -0.011 0.000 0.627 372 A CB -0.151 18.844 19.000 -0.009 0.000 0.818 372 A HN 0.647 nan 8.150 nan 0.000 0.445 373 K N -0.584 119.793 120.400 -0.038 0.000 2.057 373 K HA -0.099 4.222 4.320 0.001 0.000 0.207 373 K C 1.909 178.561 176.600 0.087 0.000 1.049 373 K CA 1.620 57.906 56.287 -0.003 0.000 0.931 373 K CB -0.561 31.918 32.500 -0.036 0.000 0.714 373 K HN 0.612 nan 8.250 nan 0.000 0.440 374 H N 0.349 119.407 119.070 -0.021 0.000 2.319 374 H HA -0.015 4.541 4.556 0.001 0.000 0.299 374 H C 2.022 177.307 175.328 -0.072 0.000 1.092 374 H CA 1.467 57.489 56.048 -0.043 0.000 1.302 374 H CB -0.067 29.678 29.762 -0.027 0.000 1.373 374 H HN 0.126 nan 8.280 nan 0.000 0.497 375 R N 0.008 120.557 120.500 0.082 0.000 2.081 375 R HA -0.040 4.300 4.340 0.001 0.000 0.235 375 R C 2.478 178.771 176.300 -0.011 0.000 1.131 375 R CA 1.035 57.144 56.100 0.014 0.000 0.960 375 R CB -0.225 30.093 30.300 0.029 0.000 0.856 375 R HN 0.285 nan 8.270 nan 0.000 0.436 376 A N 1.222 124.046 122.820 0.006 0.000 1.902 376 A HA -0.199 4.122 4.320 0.001 0.000 0.217 376 A C 1.889 179.459 177.584 -0.023 0.000 1.181 376 A CA 1.360 53.396 52.037 -0.002 0.000 0.623 376 A CB -0.347 18.657 19.000 0.006 0.000 0.818 376 A HN 0.321 nan 8.150 nan 0.000 0.443 377 E N -1.036 119.148 120.200 -0.027 0.000 2.085 377 E HA -0.212 4.138 4.350 0.001 0.000 0.194 377 E C 2.010 178.527 176.600 -0.139 0.000 0.994 377 E CA 1.510 57.870 56.400 -0.066 0.000 0.801 377 E CB -0.208 29.456 29.700 -0.059 0.000 0.743 377 E HN 0.457 nan 8.360 nan 0.000 0.453 378 M N 0.292 119.771 119.600 -0.201 0.000 2.200 378 M HA -0.080 4.400 4.480 0.001 0.000 0.265 378 M C 1.845 178.003 176.300 -0.237 0.000 1.066 378 M CA 1.366 56.429 55.300 -0.395 0.000 1.127 378 M CB -0.653 31.625 32.600 -0.537 0.000 1.379 378 M HN 0.062 nan 8.290 nan 0.000 0.420 379 E N -0.011 120.145 120.200 -0.073 0.000 2.077 379 E HA -0.206 4.145 4.350 0.001 0.000 0.193 379 E C 2.104 178.729 176.600 0.042 0.000 0.989 379 E CA 1.120 57.541 56.400 0.033 0.000 0.800 379 E CB -0.093 29.627 29.700 0.033 0.000 0.746 379 E HN 0.403 nan 8.360 nan 0.000 0.452 380 K N 0.897 121.296 120.400 -0.001 0.000 2.002 380 K HA -0.158 4.163 4.320 0.001 0.000 0.209 380 K C 2.175 178.788 176.600 0.022 0.000 1.048 380 K CA 1.039 57.329 56.287 0.005 0.000 0.930 380 K CB -0.106 32.384 32.500 -0.017 0.000 0.714 380 K HN 0.092 nan 8.250 nan 0.000 0.438 381 L N -0.476 120.736 121.223 -0.019 0.000 2.046 381 L HA -0.179 4.162 4.340 0.001 0.000 0.208 381 L C 1.919 178.918 176.870 0.214 0.000 1.077 381 L CA 0.907 55.758 54.840 0.017 0.000 0.747 381 L CB -0.306 41.682 42.059 -0.118 0.000 0.896 381 L HN 0.364 nan 8.230 nan 0.000 0.432 382 W N 0.019 121.339 121.300 0.034 0.000 3.345 382 W HA 0.286 4.947 4.660 0.002 0.000 0.282 382 W C 1.485 178.007 176.519 0.005 0.000 1.302 382 W CA 0.329 57.693 57.345 0.031 0.000 1.724 382 W CB -1.120 28.347 29.460 0.012 0.000 1.104 382 W HN 0.285 nan 8.180 nan 0.000 0.694 383 G N 1.305 110.223 108.800 0.197 0.000 2.249 383 G HA2 -0.312 3.649 3.960 0.001 0.000 0.273 383 G HA3 -0.312 3.649 3.960 0.001 0.000 0.273 383 G C 0.078 175.030 174.900 0.086 0.000 1.036 383 G CA 0.020 45.182 45.100 0.104 0.000 0.824 383 G HN 0.188 nan 8.290 nan 0.000 0.504 384 L N 0.741 122.032 121.223 0.113 0.000 2.421 384 L HA 0.495 4.836 4.340 0.001 0.000 0.263 384 L C -1.107 175.798 176.870 0.058 0.000 1.122 384 L CA -2.210 52.684 54.840 0.090 0.000 0.804 384 L CB 0.811 42.950 42.059 0.133 0.000 1.150 384 L HN 0.002 nan 8.230 nan 0.000 0.457 385 P HA 0.020 nan 4.420 nan 0.000 0.274 385 P C -0.758 176.563 177.300 0.036 0.000 1.231 385 P CA -0.493 62.627 63.100 0.033 0.000 0.790 385 P CB 0.541 32.257 31.700 0.026 0.000 0.951 386 E N 0.824 121.041 120.200 0.028 0.000 2.585 386 E HA 0.121 4.472 4.350 0.001 0.000 0.252 386 E C 0.919 177.536 176.600 0.029 0.000 0.981 386 E CA 0.804 57.220 56.400 0.026 0.000 0.943 386 E CB -0.787 28.925 29.700 0.019 0.000 0.923 386 E HN 0.800 nan 8.360 nan 0.000 0.486 387 G N 4.285 113.105 108.800 0.033 0.000 2.157 387 G HA2 -0.355 3.606 3.960 0.001 0.000 0.248 387 G HA3 -0.355 3.606 3.960 0.001 0.000 0.248 387 G C 0.890 175.818 174.900 0.045 0.000 0.979 387 G CA 0.559 45.681 45.100 0.036 0.000 0.650 387 G HN 0.670 nan 8.290 nan 0.000 0.529 388 R N 0.482 121.014 120.500 0.053 0.000 2.081 388 R HA 0.180 4.521 4.340 0.001 0.000 0.235 388 R C 1.349 177.698 176.300 0.081 0.000 1.131 388 R CA 1.273 57.413 56.100 0.065 0.000 0.960 388 R CB -0.309 30.034 30.300 0.071 0.000 0.856 388 R HN 0.511 nan 8.270 nan 0.000 0.436 389 I N 2.087 122.708 120.570 0.085 0.000 2.471 389 I HA 0.148 4.319 4.170 0.001 0.000 0.286 389 I C 0.226 176.388 176.117 0.075 0.000 1.079 389 I CA -0.369 60.987 61.300 0.094 0.000 1.398 389 I CB 1.228 39.280 38.000 0.087 0.000 1.403 389 I HN 0.277 nan 8.210 nan 0.000 0.530 390 A N 9.811 132.680 122.820 0.082 0.000 2.511 390 A HA 0.251 4.572 4.320 0.001 0.000 0.242 390 A C -1.348 176.271 177.584 0.059 0.000 1.069 390 A CA -0.934 51.144 52.037 0.067 0.000 0.763 390 A CB -0.215 18.828 19.000 0.072 0.000 1.001 390 A HN 0.639 nan 8.150 nan 0.000 0.498 391 P HA -0.008 nan 4.420 nan 0.000 0.236 391 P C 0.177 177.505 177.300 0.046 0.000 1.177 391 P CA 0.810 63.937 63.100 0.044 0.000 0.773 391 P CB 0.226 31.948 31.700 0.036 0.000 0.878 392 E N 1.046 121.271 120.200 0.041 0.000 2.179 392 E HA 0.427 4.778 4.350 0.001 0.000 0.275 392 E C -2.645 173.980 176.600 0.042 0.000 0.945 392 E CA -3.376 53.047 56.400 0.038 0.000 0.792 392 E CB 0.676 30.387 29.700 0.018 0.000 1.125 392 E HN -0.145 nan 8.360 nan 0.000 0.397 393 P HA 0.080 nan 4.420 nan 0.000 0.263 393 P C -0.058 177.250 177.300 0.014 0.000 1.175 393 P CA 0.374 63.527 63.100 0.088 0.000 0.761 393 P CB 0.737 32.520 31.700 0.138 0.000 0.794 394 G N 1.854 110.669 108.800 0.025 0.000 2.570 394 G HA2 0.142 4.103 3.960 0.001 0.000 0.276 394 G HA3 0.142 4.103 3.960 0.001 0.000 0.276 394 G C -0.892 173.966 174.900 -0.070 0.000 1.346 394 G CA -0.559 44.493 45.100 -0.080 0.000 1.034 394 G HN 0.400 nan 8.290 nan 0.000 0.512 395 Y N 0.748 121.080 120.300 0.054 0.000 2.605 395 Y HA 0.184 4.735 4.550 0.001 0.000 0.336 395 Y C 1.344 177.267 175.900 0.037 0.000 1.111 395 Y CA -0.333 57.746 58.100 -0.035 0.000 1.422 395 Y CB -0.182 38.227 38.460 -0.085 0.000 1.193 395 Y HN 0.686 nan 8.280 nan 0.000 0.526 396 H N -0.145 119.071 119.070 0.244 0.000 2.913 396 H HA 0.033 4.590 4.556 0.001 0.000 0.365 396 H C 1.080 176.531 175.328 0.206 0.000 1.155 396 H CA 0.083 56.255 56.048 0.207 0.000 1.417 396 H CB 0.325 30.168 29.762 0.134 0.000 1.386 396 H HN 0.704 nan 8.280 nan 0.000 0.614 397 T N 1.758 116.530 114.554 0.363 0.000 2.592 397 T HA -0.252 4.098 4.350 0.001 0.000 0.267 397 T C 2.181 177.000 174.700 0.199 0.000 1.060 397 T CA 2.115 64.389 62.100 0.289 0.000 1.167 397 T CB -0.389 68.673 68.868 0.323 0.000 0.863 397 T HN 0.482 nan 8.240 nan 0.000 0.431 398 V N 1.552 121.594 119.914 0.214 0.000 2.332 398 V HA -0.206 3.915 4.120 0.001 0.000 0.248 398 V C 2.837 178.935 176.094 0.006 0.000 1.055 398 V CA 1.825 64.181 62.300 0.093 0.000 1.038 398 V CB -1.204 30.672 31.823 0.090 0.000 0.651 398 V HN 0.593 nan 8.190 nan 0.000 0.450 399 A N -0.396 122.312 122.820 -0.187 0.000 1.969 399 A HA -0.170 4.151 4.320 0.001 0.000 0.218 399 A C 2.136 179.534 177.584 -0.311 0.000 1.169 399 A CA 1.864 53.708 52.037 -0.322 0.000 0.635 399 A CB -0.530 18.077 19.000 -0.655 0.000 0.810 399 A HN 0.459 nan 8.150 nan 0.000 0.445 400 L N -1.180 119.920 121.223 -0.205 0.000 2.012 400 L HA -0.123 4.218 4.340 0.001 0.000 0.210 400 L C 2.118 178.722 176.870 -0.443 0.000 1.073 400 L CA 2.109 56.764 54.840 -0.307 0.000 0.748 400 L CB -0.797 41.197 42.059 -0.109 0.000 0.891 400 L HN 0.380 nan 8.230 nan 0.000 0.431 401 F N -0.264 119.506 119.950 -0.298 0.000 2.456 401 F HA -0.060 4.468 4.527 0.001 0.000 0.298 401 F C 2.347 178.003 175.800 -0.240 0.000 1.104 401 F CA 0.934 58.771 58.000 -0.271 0.000 1.435 401 F CB -0.256 38.584 39.000 -0.268 0.000 1.078 401 F HN 0.185 nan 8.300 nan 0.000 0.546 402 E N 0.395 120.537 120.200 -0.097 0.000 2.051 402 E HA -0.206 4.145 4.350 0.001 0.000 0.192 402 E C 2.467 178.922 176.600 -0.242 0.000 0.991 402 E CA 1.053 57.368 56.400 -0.143 0.000 0.799 402 E CB -0.317 29.309 29.700 -0.123 0.000 0.748 402 E HN 0.365 nan 8.360 nan 0.000 0.449 403 A N 1.251 123.807 122.820 -0.440 0.000 1.908 403 A HA -0.200 4.121 4.320 0.001 0.000 0.218 403 A C 2.200 179.543 177.584 -0.403 0.000 1.181 403 A CA 1.231 52.931 52.037 -0.561 0.000 0.627 403 A CB -0.647 17.604 19.000 -1.247 0.000 0.818 403 A HN 0.243 nan 8.150 nan 0.000 0.445 404 L N -0.010 120.973 121.223 -0.400 0.000 2.042 404 L HA -0.062 4.279 4.340 0.001 0.000 0.210 404 L C 2.433 179.165 176.870 -0.229 0.000 1.076 404 L CA 2.238 56.874 54.840 -0.339 0.000 0.749 404 L CB -0.813 41.013 42.059 -0.389 0.000 0.893 404 L HN 0.323 nan 8.230 nan 0.000 0.432 405 G N -0.968 107.753 108.800 -0.132 0.000 2.422 405 G HA2 -0.254 3.706 3.960 0.001 0.000 0.218 405 G HA3 -0.254 3.706 3.960 0.001 0.000 0.218 405 G C 1.723 176.652 174.900 0.048 0.000 1.146 405 G CA 0.698 45.796 45.100 -0.004 0.000 0.769 405 G HN 0.394 nan 8.290 nan 0.000 0.547 406 R N -0.295 120.164 120.500 -0.068 0.000 2.275 406 R HA 0.193 4.534 4.340 0.001 0.000 0.199 406 R C 1.875 178.118 176.300 -0.096 0.000 0.989 406 R CA 0.551 56.623 56.100 -0.047 0.000 1.016 406 R CB 0.121 30.374 30.300 -0.078 0.000 0.918 406 R HN 0.434 nan 8.270 nan 0.000 0.473 407 G N 0.888 109.501 108.800 -0.312 0.000 2.175 407 G HA2 -0.240 3.721 3.960 0.001 0.000 0.244 407 G HA3 -0.240 3.721 3.960 0.001 0.000 0.244 407 G C 0.376 175.064 174.900 -0.354 0.000 0.982 407 G CA 0.366 45.155 45.100 -0.519 0.000 0.641 407 G HN 0.268 nan 8.290 nan 0.000 0.527 408 D N -0.106 120.140 120.400 -0.257 0.000 2.123 408 D HA 0.073 4.714 4.640 0.001 0.000 0.200 408 D C 1.475 177.681 176.300 -0.157 0.000 0.976 408 D CA 1.154 55.052 54.000 -0.170 0.000 0.831 408 D CB 0.061 40.802 40.800 -0.098 0.000 0.974 408 D HN 0.357 nan 8.370 nan 0.000 0.469 409 V N 1.842 121.623 119.914 -0.222 0.000 2.383 409 V HA 0.122 4.243 4.120 0.001 0.000 0.275 409 V C 1.143 177.088 176.094 -0.247 0.000 1.036 409 V CA -0.141 62.052 62.300 -0.178 0.000 0.889 409 V CB 1.817 33.514 31.823 -0.211 0.000 0.985 409 V HN -0.011 nan 8.190 nan 0.000 0.459 410 K N 2.471 122.742 120.400 -0.215 0.000 2.313 410 K HA 0.235 4.556 4.320 0.001 0.000 0.197 410 K C 0.138 176.642 176.600 -0.159 0.000 1.061 410 K CA 0.397 56.548 56.287 -0.228 0.000 0.980 410 K CB 0.577 32.926 32.500 -0.252 0.000 0.888 410 K HN 0.577 nan 8.250 nan 0.000 0.502 411 C N 1.472 120.646 119.300 -0.209 0.000 2.455 411 C HA 0.630 5.090 4.460 0.001 0.000 0.320 411 C C -0.508 174.382 174.990 -0.168 0.000 1.226 411 C CA -0.916 57.920 59.018 -0.304 0.000 1.569 411 C CB 0.921 28.086 27.740 -0.959 0.000 2.200 411 C HN 0.385 nan 8.230 nan 0.000 0.491 412 M N 3.627 123.232 119.600 0.007 0.000 2.324 412 M HA 0.630 5.111 4.480 0.001 0.000 0.288 412 M C -1.773 174.689 176.300 0.270 0.000 1.097 412 M CA -0.379 55.020 55.300 0.163 0.000 0.928 412 M CB 1.232 33.785 32.600 -0.078 0.000 1.648 412 M HN 0.658 nan 8.290 nan 0.000 0.460 413 I N 5.759 126.530 120.570 0.335 0.000 2.315 413 I HA 0.364 4.535 4.170 0.001 0.000 0.291 413 I C -0.661 175.336 176.117 -0.200 0.000 1.006 413 I CA -0.479 60.865 61.300 0.073 0.000 1.265 413 I CB 0.991 39.076 38.000 0.141 0.000 1.387 413 I HN 0.605 nan 8.210 nan 0.000 0.475 414 I N 6.139 126.618 120.570 -0.150 0.000 2.321 414 I HA 0.300 4.471 4.170 0.001 0.000 0.291 414 I C -0.459 175.523 176.117 -0.225 0.000 0.998 414 I CA -0.360 60.860 61.300 -0.132 0.000 1.227 414 I CB 1.586 39.634 38.000 0.079 0.000 1.368 414 I HN 0.578 nan 8.210 nan 0.000 0.466 415 C N 6.214 125.282 119.300 -0.387 0.000 2.397 415 C HA 0.317 4.777 4.460 0.001 0.000 0.325 415 C C 0.582 175.515 174.990 -0.095 0.000 1.201 415 C CA -0.199 58.673 59.018 -0.243 0.000 1.377 415 C CB 0.003 27.528 27.740 -0.359 0.000 2.038 415 C HN 1.014 nan 8.230 nan 0.000 0.457 416 E N 3.421 123.646 120.200 0.042 0.000 2.389 416 E HA -0.174 4.177 4.350 0.001 0.000 0.243 416 E C -0.196 176.465 176.600 0.102 0.000 1.154 416 E CA 1.181 57.656 56.400 0.124 0.000 0.723 416 E CB -0.867 28.939 29.700 0.177 0.000 1.261 416 E HN 0.954 nan 8.360 nan 0.000 0.390 417 T N -1.192 113.408 114.554 0.075 0.000 2.802 417 T HA 0.398 4.748 4.350 0.001 0.000 0.311 417 T C -0.565 174.206 174.700 0.118 0.000 1.405 417 T CA -0.978 61.168 62.100 0.076 0.000 1.016 417 T CB 1.357 70.231 68.868 0.011 0.000 1.352 417 T HN 0.026 nan 8.240 nan 0.000 0.498 418 N N 1.631 120.398 118.700 0.112 0.000 2.679 418 N HA 0.329 5.070 4.740 0.001 0.000 0.302 418 N C -1.954 173.624 175.510 0.113 0.000 1.941 418 N CA -2.252 50.871 53.050 0.122 0.000 0.875 418 N CB 0.773 39.313 38.487 0.089 0.000 1.278 418 N HN 0.265 nan 8.380 nan 0.000 0.490 419 P HA -0.102 nan 4.420 nan 0.000 0.221 419 P C 0.890 178.130 177.300 -0.101 0.000 1.145 419 P CA 0.749 63.804 63.100 -0.074 0.000 0.795 419 P CB 0.270 31.811 31.700 -0.265 0.000 0.775 420 A N -1.487 121.352 122.820 0.031 0.000 2.209 420 A HA -0.150 4.171 4.320 0.001 0.000 0.212 420 A C 1.999 179.728 177.584 0.241 0.000 1.158 420 A CA 1.256 53.362 52.037 0.115 0.000 0.742 420 A CB -1.456 17.641 19.000 0.162 0.000 0.790 420 A HN 0.306 nan 8.150 nan 0.000 0.472 421 H N -1.657 117.455 119.070 0.070 0.000 2.594 421 H HA 0.031 4.588 4.556 0.001 0.000 0.274 421 H C 1.959 177.288 175.328 0.002 0.000 0.982 421 H CA 1.144 57.235 56.048 0.071 0.000 1.228 421 H CB 0.707 30.520 29.762 0.084 0.000 1.447 421 H HN 0.486 nan 8.280 nan 0.000 0.485 422 T N -1.209 113.420 114.554 0.125 0.000 3.010 422 T HA 0.277 4.628 4.350 0.001 0.000 0.257 422 T C 0.516 175.169 174.700 -0.077 0.000 1.020 422 T CA -0.348 61.731 62.100 -0.035 0.000 0.938 422 T CB 0.118 68.913 68.868 -0.121 0.000 1.049 422 T HN 0.016 nan 8.240 nan 0.000 0.522 423 L N 2.961 124.124 121.223 -0.101 0.000 2.436 423 L HA 0.426 4.767 4.340 0.001 0.000 0.265 423 L C -2.101 174.725 176.870 -0.074 0.000 1.168 423 L CA -2.457 52.302 54.840 -0.136 0.000 0.815 423 L CB 0.748 42.562 42.059 -0.408 0.000 1.109 423 L HN 0.037 nan 8.230 nan 0.000 0.462 424 P HA 0.062 nan 4.420 nan 0.000 0.279 424 P C -0.627 176.575 177.300 -0.162 0.000 1.252 424 P CA -0.302 62.703 63.100 -0.158 0.000 0.811 424 P CB 0.604 32.042 31.700 -0.436 0.000 1.035 425 N N 0.236 118.872 118.700 -0.107 0.000 2.699 425 N HA -0.138 4.603 4.740 0.001 0.000 0.257 425 N C 0.514 175.909 175.510 -0.192 0.000 1.077 425 N CA 0.226 53.200 53.050 -0.127 0.000 0.702 425 N CB -1.383 37.028 38.487 -0.127 0.000 0.886 425 N HN 0.400 nan 8.380 nan 0.000 0.549 426 L N -0.044 121.037 121.223 -0.237 0.000 2.141 426 L HA -0.118 4.223 4.340 0.001 0.000 0.209 426 L C 1.888 178.418 176.870 -0.566 0.000 1.094 426 L CA 0.874 55.431 54.840 -0.471 0.000 0.763 426 L CB -0.244 41.496 42.059 -0.531 0.000 0.908 426 L HN 0.326 nan 8.230 nan 0.000 0.437 427 N N 0.376 118.903 118.700 -0.289 0.000 2.120 427 N HA -0.220 4.520 4.740 0.001 0.000 0.188 427 N C 1.746 177.195 175.510 -0.102 0.000 1.024 427 N CA 1.205 54.169 53.050 -0.143 0.000 0.852 427 N CB -0.170 38.274 38.487 -0.071 0.000 1.003 427 N HN 0.372 nan 8.380 nan 0.000 0.424 428 K N 1.197 121.525 120.400 -0.120 0.000 2.025 428 K HA -0.051 4.270 4.320 0.001 0.000 0.207 428 K C 1.770 178.314 176.600 -0.094 0.000 1.049 428 K CA 1.030 57.263 56.287 -0.089 0.000 0.933 428 K CB -0.081 32.365 32.500 -0.090 0.000 0.714 428 K HN -0.117 nan 8.250 nan 0.000 0.438 429 V N 1.624 121.438 119.914 -0.166 0.000 2.295 429 V HA -0.257 3.863 4.120 0.001 0.000 0.246 429 V C 2.113 178.143 176.094 -0.107 0.000 1.049 429 V CA 2.220 64.419 62.300 -0.169 0.000 1.024 429 V CB -0.844 30.796 31.823 -0.305 0.000 0.648 429 V HN 0.465 nan 8.190 nan 0.000 0.447 430 H N -0.282 118.697 119.070 -0.151 0.000 2.387 430 H HA -0.158 4.399 4.556 0.001 0.000 0.299 430 H C 2.465 177.760 175.328 -0.055 0.000 1.090 430 H CA 1.443 57.387 56.048 -0.173 0.000 1.332 430 H CB 0.037 29.789 29.762 -0.016 0.000 1.386 430 H HN 0.363 nan 8.280 nan 0.000 0.516 431 K N 0.565 121.023 120.400 0.096 0.000 2.032 431 K HA -0.143 4.178 4.320 0.001 0.000 0.209 431 K C 2.527 179.159 176.600 0.054 0.000 1.048 431 K CA 0.977 57.303 56.287 0.066 0.000 0.927 431 K CB -0.109 32.409 32.500 0.030 0.000 0.712 431 K HN 0.218 nan 8.250 nan 0.000 0.441 432 A N 1.028 123.867 122.820 0.032 0.000 1.908 432 A HA -0.185 4.136 4.320 0.001 0.000 0.218 432 A C 2.036 179.651 177.584 0.052 0.000 1.181 432 A CA 1.673 53.734 52.037 0.040 0.000 0.627 432 A CB -0.451 18.565 19.000 0.027 0.000 0.818 432 A HN 0.245 nan 8.150 nan 0.000 0.445 433 M N -0.229 119.379 119.600 0.013 0.000 2.562 433 M HA -0.009 4.472 4.480 0.001 0.000 0.257 433 M C 1.274 177.648 176.300 0.124 0.000 1.099 433 M CA 0.683 55.972 55.300 -0.019 0.000 1.099 433 M CB 0.047 32.460 32.600 -0.312 0.000 1.427 433 M HN 0.302 nan 8.290 nan 0.000 0.489 434 S N -1.269 114.525 115.700 0.156 0.000 2.605 434 S HA 0.034 4.504 4.470 0.001 0.000 0.217 434 S C 0.428 175.100 174.600 0.119 0.000 0.958 434 S CA -0.242 58.070 58.200 0.188 0.000 0.919 434 S CB -0.470 62.829 63.200 0.166 0.000 0.780 434 S HN 0.393 nan 8.310 nan 0.000 0.507 435 H N 4.052 123.143 119.070 0.036 0.000 3.187 435 H HA 0.009 4.566 4.556 0.001 0.000 0.286 435 H C -1.782 173.560 175.328 0.024 0.000 0.944 435 H CA -0.893 55.161 56.048 0.009 0.000 1.429 435 H CB 1.011 30.756 29.762 -0.028 0.000 1.483 435 H HN 0.105 nan 8.280 nan 0.000 0.555 436 P HA -0.112 nan 4.420 nan 0.000 0.223 436 P C 0.486 177.868 177.300 0.137 0.000 1.144 436 P CA 1.034 64.149 63.100 0.025 0.000 0.783 436 P CB 0.498 32.164 31.700 -0.057 0.000 0.771 437 E N -0.465 119.932 120.200 0.329 0.000 2.538 437 E HA 0.076 4.427 4.350 0.001 0.000 0.207 437 E C 0.605 177.298 176.600 0.154 0.000 1.002 437 E CA 0.099 56.640 56.400 0.236 0.000 0.952 437 E CB 0.244 30.071 29.700 0.211 0.000 1.031 437 E HN 0.281 nan 8.360 nan 0.000 0.476 438 S N 0.574 116.379 115.700 0.176 0.000 2.580 438 S HA 0.349 4.820 4.470 0.001 0.000 0.274 438 S C -0.227 174.466 174.600 0.155 0.000 1.329 438 S CA -0.663 57.575 58.200 0.065 0.000 1.036 438 S CB 0.751 63.974 63.200 0.038 0.000 0.919 438 S HN 0.127 nan 8.310 nan 0.000 0.515 439 F N 2.872 122.791 119.950 -0.052 0.000 2.382 439 F HA 0.608 5.136 4.527 0.002 0.000 0.361 439 F C -1.087 174.716 175.800 0.005 0.000 1.109 439 F CA -1.520 56.470 58.000 -0.018 0.000 1.031 439 F CB 0.498 39.473 39.000 -0.042 0.000 1.234 439 F HN 0.552 nan 8.300 nan 0.000 0.445 440 I N 7.269 127.581 120.570 -0.431 0.000 2.355 440 I HA 0.354 4.524 4.170 0.001 0.000 0.288 440 I C -0.903 174.941 176.117 -0.455 0.000 0.999 440 I CA -1.032 60.071 61.300 -0.330 0.000 1.163 440 I CB 1.594 39.533 38.000 -0.101 0.000 1.316 440 I HN 0.197 nan 8.210 nan 0.000 0.454 441 V N 5.571 125.263 119.914 -0.369 0.000 2.394 441 V HA 0.284 4.404 4.120 0.001 0.000 0.282 441 V C -0.196 175.837 176.094 -0.102 0.000 1.031 441 V CA -0.439 61.718 62.300 -0.239 0.000 0.881 441 V CB 1.472 33.215 31.823 -0.133 0.000 0.982 441 V HN 0.788 nan 8.190 nan 0.000 0.451 442 C N 6.433 125.690 119.300 -0.072 0.000 2.298 442 C HA 0.561 5.021 4.460 0.001 0.000 0.323 442 C C 0.302 175.285 174.990 -0.012 0.000 1.284 442 C CA -0.736 58.266 59.018 -0.026 0.000 1.577 442 C CB 0.106 27.849 27.740 0.004 0.000 2.249 442 C HN 0.732 nan 8.230 nan 0.000 0.497 443 I N 3.928 124.500 120.570 0.004 0.000 2.291 443 I HA 0.380 4.550 4.170 0.001 0.000 0.292 443 I C -0.057 176.100 176.117 0.067 0.000 1.064 443 I CA 0.468 61.798 61.300 0.050 0.000 1.269 443 I CB 0.365 38.423 38.000 0.097 0.000 1.418 443 I HN 0.621 nan 8.210 nan 0.000 0.485 444 E N 5.143 125.380 120.200 0.060 0.000 2.321 444 E HA 0.600 4.950 4.350 0.001 0.000 0.278 444 E C -0.378 176.239 176.600 0.028 0.000 0.902 444 E CA -0.515 55.932 56.400 0.079 0.000 0.758 444 E CB 1.989 31.737 29.700 0.080 0.000 1.213 444 E HN 0.502 nan 8.360 nan 0.000 0.426 445 A N 3.737 126.565 122.820 0.013 0.000 1.984 445 A HA 0.262 4.583 4.320 0.001 0.000 0.214 445 A C 0.019 177.265 177.584 -0.564 0.000 1.173 445 A CA 0.491 52.361 52.037 -0.278 0.000 0.673 445 A CB -0.048 18.741 19.000 -0.352 0.000 0.830 445 A HN 0.424 nan 8.150 nan 0.000 0.453 446 F N -0.410 119.536 119.950 -0.007 0.000 2.467 446 F HA 0.397 4.925 4.527 0.002 0.000 0.336 446 F C -1.615 174.188 175.800 0.004 0.000 1.123 446 F CA -2.212 55.775 58.000 -0.022 0.000 0.964 446 F CB 1.838 40.819 39.000 -0.032 0.000 1.136 446 F HN -0.036 nan 8.300 nan 0.000 0.447 447 P HA -0.110 nan 4.420 nan 0.000 0.234 447 P C 0.430 177.785 177.300 0.091 0.000 1.167 447 P CA 1.078 64.224 63.100 0.077 0.000 0.763 447 P CB 0.147 31.872 31.700 0.042 0.000 0.835 448 D N -0.691 119.786 120.400 0.128 0.000 2.349 448 D HA 0.071 4.712 4.640 0.001 0.000 0.214 448 D C 0.603 176.971 176.300 0.114 0.000 1.063 448 D CA -0.247 53.813 54.000 0.101 0.000 0.847 448 D CB -0.433 40.420 40.800 0.088 0.000 0.933 448 D HN -0.033 nan 8.370 nan 0.000 0.513 449 A N 1.199 124.103 122.820 0.140 0.000 2.545 449 A HA 0.103 4.424 4.320 0.001 0.000 0.253 449 A C 1.437 179.106 177.584 0.142 0.000 1.074 449 A CA -0.256 51.871 52.037 0.150 0.000 0.760 449 A CB 0.684 19.780 19.000 0.160 0.000 1.005 449 A HN 0.091 nan 8.150 nan 0.000 0.506 450 V N 3.356 123.376 119.914 0.177 0.000 2.594 450 V HA -0.166 3.955 4.120 0.001 0.000 0.253 450 V C 2.404 178.622 176.094 0.206 0.000 1.069 450 V CA 2.847 65.243 62.300 0.160 0.000 1.082 450 V CB -0.731 31.201 31.823 0.181 0.000 0.680 450 V HN 1.035 nan 8.190 nan 0.000 0.469 451 T N 0.606 115.298 114.554 0.231 0.000 2.833 451 T HA -0.141 4.210 4.350 0.001 0.000 0.269 451 T C 1.729 176.579 174.700 0.250 0.000 1.054 451 T CA 1.598 63.864 62.100 0.277 0.000 1.135 451 T CB -0.282 68.705 68.868 0.198 0.000 0.869 451 T HN 0.433 nan 8.240 nan 0.000 0.466 452 L N 0.848 122.155 121.223 0.139 0.000 2.349 452 L HA -0.094 4.247 4.340 0.001 0.000 0.220 452 L C 2.346 179.219 176.870 0.004 0.000 1.130 452 L CA 1.158 56.040 54.840 0.070 0.000 0.791 452 L CB -0.670 41.415 42.059 0.043 0.000 0.918 452 L HN 0.394 nan 8.230 nan 0.000 0.444 453 E N -0.869 119.294 120.200 -0.061 0.000 2.409 453 E HA -0.169 4.182 4.350 0.001 0.000 0.198 453 E C 1.257 177.570 176.600 -0.479 0.000 1.024 453 E CA 0.917 57.143 56.400 -0.291 0.000 0.861 453 E CB 0.098 29.542 29.700 -0.426 0.000 0.788 453 E HN 0.587 nan 8.360 nan 0.000 0.521 454 Y N -0.268 120.024 120.300 -0.013 0.000 2.498 454 Y HA 0.314 4.865 4.550 0.001 0.000 0.259 454 Y C 1.016 176.909 175.900 -0.012 0.000 1.086 454 Y CA -0.346 57.751 58.100 -0.005 0.000 1.287 454 Y CB 0.332 38.802 38.460 0.016 0.000 1.146 454 Y HN -0.128 nan 8.280 nan 0.000 0.523 455 A N 1.068 123.946 122.820 0.097 0.000 2.540 455 A HA 0.003 4.323 4.320 0.001 0.000 0.239 455 A C 0.706 178.278 177.584 -0.019 0.000 1.061 455 A CA 0.387 52.433 52.037 0.014 0.000 0.758 455 A CB 0.068 19.067 19.000 -0.003 0.000 0.991 455 A HN 0.407 nan 8.150 nan 0.000 0.502 456 D N 0.272 120.630 120.400 -0.070 0.000 2.338 456 D HA 0.153 4.794 4.640 0.001 0.000 0.208 456 D C -0.181 176.107 176.300 -0.019 0.000 0.997 456 D CA 0.717 54.705 54.000 -0.020 0.000 0.880 456 D CB 0.367 41.191 40.800 0.039 0.000 0.980 456 D HN 0.368 nan 8.370 nan 0.000 0.509 457 L N 0.833 121.991 121.223 -0.108 0.000 2.455 457 L HA 0.360 4.701 4.340 0.001 0.000 0.264 457 L C -1.596 175.222 176.870 -0.087 0.000 0.968 457 L CA -0.699 54.104 54.840 -0.061 0.000 0.827 457 L CB 2.488 44.541 42.059 -0.010 0.000 1.317 457 L HN -0.345 nan 8.230 nan 0.000 0.407 458 V N 5.369 125.232 119.914 -0.085 0.000 2.588 458 V HA 0.534 4.655 4.120 0.001 0.000 0.304 458 V C -0.413 175.583 176.094 -0.164 0.000 1.042 458 V CA -0.608 61.635 62.300 -0.095 0.000 0.877 458 V CB 1.671 33.449 31.823 -0.075 0.000 0.996 458 V HN 0.600 nan 8.190 nan 0.000 0.425 459 L N 6.384 127.523 121.223 -0.141 0.000 2.307 459 L HA 0.563 4.904 4.340 0.001 0.000 0.284 459 L C -2.464 174.344 176.870 -0.104 0.000 1.023 459 L CA -1.791 52.905 54.840 -0.240 0.000 0.810 459 L CB 2.498 44.520 42.059 -0.062 0.000 1.231 459 L HN 0.400 nan 8.230 nan 0.000 0.423 460 P HA 0.277 nan 4.420 nan 0.000 0.287 460 P C -2.735 174.697 177.300 0.221 0.000 1.307 460 P CA -1.706 61.417 63.100 0.039 0.000 0.777 460 P CB 0.899 32.607 31.700 0.013 0.000 0.883 461 P HA 0.283 nan 4.420 nan 0.000 0.285 461 P C -0.576 176.820 177.300 0.160 0.000 1.269 461 P CA -0.813 62.403 63.100 0.193 0.000 0.844 461 P CB 1.114 32.920 31.700 0.177 0.000 1.094 462 A N 2.231 125.139 122.820 0.147 0.000 2.477 462 A HA 0.318 4.638 4.320 0.001 0.000 0.246 462 A C -0.516 177.177 177.584 0.182 0.000 1.078 462 A CA -0.032 52.081 52.037 0.126 0.000 0.770 462 A CB -0.764 18.274 19.000 0.064 0.000 1.011 462 A HN 0.537 nan 8.150 nan 0.000 0.494 463 F N 4.191 124.169 119.950 0.048 0.000 2.415 463 F HA 0.517 5.045 4.527 0.001 0.000 0.348 463 F C 0.449 176.360 175.800 0.186 0.000 1.119 463 F CA -0.619 57.448 58.000 0.111 0.000 1.069 463 F CB 0.410 39.464 39.000 0.089 0.000 1.124 463 F HN 0.945 nan 8.300 nan 0.000 0.472 464 W N 4.381 125.218 121.300 -0.772 0.000 2.450 464 W HA -0.465 4.196 4.660 0.001 0.000 0.300 464 W C 1.511 177.765 176.519 -0.442 0.000 1.567 464 W CA 2.842 59.700 57.345 -0.812 0.000 1.558 464 W CB -1.577 27.057 29.460 -1.376 0.000 0.906 464 W HN 0.867 nan 8.180 nan 0.000 0.490 465 C N 0.731 119.486 119.300 -0.908 0.000 2.524 465 C HA 0.401 4.861 4.460 0.001 0.000 0.301 465 C C 1.697 176.442 174.990 -0.409 0.000 1.296 465 C CA 0.563 59.101 59.018 -0.800 0.000 1.683 465 C CB -1.648 25.395 27.740 -1.161 0.000 1.764 465 C HN 0.483 nan 8.230 nan 0.000 0.597 466 E N 1.442 121.501 120.200 -0.234 0.000 2.478 466 E HA -0.024 4.327 4.350 0.001 0.000 0.198 466 E C 1.163 177.698 176.600 -0.109 0.000 1.046 466 E CA 0.499 56.834 56.400 -0.108 0.000 0.870 466 E CB 0.189 29.896 29.700 0.011 0.000 0.818 466 E HN 0.784 nan 8.360 nan 0.000 0.527 467 R N 0.958 121.366 120.500 -0.154 0.000 2.766 467 R HA 0.172 4.513 4.340 0.001 0.000 0.270 467 R C -1.605 174.582 176.300 -0.187 0.000 1.035 467 R CA -0.798 55.221 56.100 -0.135 0.000 0.911 467 R CB 0.290 30.541 30.300 -0.082 0.000 1.243 467 R HN -0.129 nan 8.270 nan 0.000 0.460 468 D N -0.295 120.006 120.400 -0.165 0.000 2.217 468 D HA 0.709 5.350 4.640 0.001 0.000 0.248 468 D C -0.069 176.111 176.300 -0.199 0.000 1.008 468 D CA -0.401 53.481 54.000 -0.196 0.000 0.914 468 D CB 1.963 42.661 40.800 -0.171 0.000 1.182 468 D HN 0.782 nan 8.370 nan 0.000 0.451 469 G N -0.737 107.911 108.800 -0.253 0.000 2.325 469 G HA2 0.366 4.327 3.960 0.001 0.000 0.297 469 G HA3 0.366 4.327 3.960 0.001 0.000 0.297 469 G C -1.734 172.970 174.900 -0.328 0.000 1.448 469 G CA -0.775 44.169 45.100 -0.259 0.000 0.838 469 G HN 0.446 nan 8.290 nan 0.000 0.579 470 V N 0.977 120.704 119.914 -0.312 0.000 2.481 470 V HA 0.589 4.710 4.120 0.001 0.000 0.286 470 V C -0.872 175.204 176.094 -0.030 0.000 1.042 470 V CA -0.733 61.380 62.300 -0.312 0.000 0.928 470 V CB 1.367 32.778 31.823 -0.687 0.000 0.986 470 V HN 0.583 nan 8.190 nan 0.000 0.462 471 Y N 2.027 122.285 120.300 -0.070 0.000 2.364 471 Y HA 0.678 5.229 4.550 0.001 0.000 0.340 471 Y C 0.619 176.564 175.900 0.075 0.000 0.975 471 Y CA -1.501 56.612 58.100 0.021 0.000 1.089 471 Y CB 2.104 40.600 38.460 0.061 0.000 1.192 471 Y HN 0.674 nan 8.280 nan 0.000 0.454 472 G N 3.035 111.982 108.800 0.246 0.000 2.415 472 G HA2 0.478 4.438 3.960 0.001 0.000 0.317 472 G HA3 0.478 4.438 3.960 0.001 0.000 0.317 472 G C 0.078 175.157 174.900 0.298 0.000 1.152 472 G CA -0.503 44.819 45.100 0.371 0.000 0.956 472 G HN 0.883 nan 8.290 nan 0.000 0.458 473 C N 1.389 120.854 119.300 0.275 0.000 2.590 473 C HA 0.772 5.233 4.460 0.001 0.000 0.354 473 C C 2.201 177.297 174.990 0.177 0.000 1.622 473 C CA 0.107 59.257 59.018 0.220 0.000 2.050 473 C CB 0.902 28.797 27.740 0.260 0.000 1.960 473 C HN 0.703 nan 8.230 nan 0.000 0.550 474 G N -0.023 108.899 108.800 0.204 0.000 2.470 474 G HA2 -0.107 3.853 3.960 0.001 0.000 0.220 474 G HA3 -0.107 3.853 3.960 0.001 0.000 0.220 474 G C 1.149 176.011 174.900 -0.063 0.000 1.121 474 G CA 1.049 46.236 45.100 0.144 0.000 0.766 474 G HN 1.007 nan 8.290 nan 0.000 0.553 475 E N -0.756 119.265 120.200 -0.299 0.000 2.437 475 E HA 0.345 4.695 4.350 0.001 0.000 0.195 475 E C 0.936 177.282 176.600 -0.423 0.000 1.029 475 E CA -0.725 55.392 56.400 -0.472 0.000 0.948 475 E CB -0.012 29.027 29.700 -1.101 0.000 1.082 475 E HN 0.258 nan 8.360 nan 0.000 0.456 476 R N -0.059 120.244 120.500 -0.328 0.000 3.936 476 R HA -0.174 4.167 4.340 0.001 0.000 0.366 476 R C -0.063 176.023 176.300 -0.356 0.000 1.158 476 R CA 0.795 56.593 56.100 -0.502 0.000 0.969 476 R CB -1.856 27.733 30.300 -1.186 0.000 1.504 476 R HN 0.283 nan 8.270 nan 0.000 0.538 477 R N 1.350 121.777 120.500 -0.122 0.000 2.234 477 R HA 0.166 4.506 4.340 0.001 0.000 0.324 477 R C -0.852 175.629 176.300 0.302 0.000 1.054 477 R CA -0.194 55.916 56.100 0.018 0.000 0.912 477 R CB 0.444 30.747 30.300 0.006 0.000 1.030 477 R HN -0.072 nan 8.270 nan 0.000 0.455 478 Y N 1.909 122.295 120.300 0.144 0.000 2.353 478 Y HA 0.309 4.860 4.550 0.001 0.000 0.340 478 Y C -0.094 175.850 175.900 0.073 0.000 0.972 478 Y CA -0.975 57.213 58.100 0.146 0.000 1.157 478 Y CB 1.996 40.564 38.460 0.181 0.000 1.157 478 Y HN 0.488 nan 8.280 nan 0.000 0.495 479 S N 3.958 119.777 115.700 0.199 0.000 2.502 479 S HA 0.439 4.910 4.470 0.001 0.000 0.304 479 S C -0.973 173.606 174.600 -0.035 0.000 1.097 479 S CA -0.656 57.599 58.200 0.092 0.000 1.045 479 S CB 1.670 64.957 63.200 0.145 0.000 1.019 479 S HN 0.487 nan 8.310 nan 0.000 0.481 480 L N 3.547 124.703 121.223 -0.112 0.000 2.331 480 L HA 0.434 4.775 4.340 0.001 0.000 0.278 480 L C -0.038 176.737 176.870 -0.158 0.000 1.106 480 L CA 0.588 55.306 54.840 -0.203 0.000 0.824 480 L CB 0.698 42.615 42.059 -0.237 0.000 1.142 480 L HN 0.590 nan 8.230 nan 0.000 0.443 481 T N 4.965 119.390 114.554 -0.216 0.000 2.733 481 T HA 0.342 4.692 4.350 0.001 0.000 0.294 481 T C -0.143 174.407 174.700 -0.251 0.000 0.956 481 T CA -0.475 61.484 62.100 -0.236 0.000 0.987 481 T CB 0.369 69.050 68.868 -0.311 0.000 0.920 481 T HN 0.607 nan 8.240 nan 0.000 0.470 482 E N 1.913 121.982 120.200 -0.218 0.000 2.345 482 E HA 0.223 4.574 4.350 0.001 0.000 0.259 482 E C 0.163 176.621 176.600 -0.238 0.000 1.117 482 E CA -0.789 55.490 56.400 -0.201 0.000 0.913 482 E CB 1.089 30.699 29.700 -0.150 0.000 1.057 482 E HN 0.402 nan 8.360 nan 0.000 0.432 483 K N 0.680 120.960 120.400 -0.200 0.000 2.379 483 K HA 0.176 4.497 4.320 0.001 0.000 0.284 483 K C -0.161 176.322 176.600 -0.194 0.000 1.044 483 K CA 0.145 56.310 56.287 -0.203 0.000 0.974 483 K CB 0.728 33.138 32.500 -0.150 0.000 0.962 483 K HN 0.588 nan 8.250 nan 0.000 0.474 484 A N 4.326 127.007 122.820 -0.231 0.000 2.070 484 A HA 0.166 4.487 4.320 0.001 0.000 0.202 484 A C 0.130 177.615 177.584 -0.165 0.000 1.277 484 A CA 0.634 52.544 52.037 -0.212 0.000 0.872 484 A CB 0.333 19.163 19.000 -0.283 0.000 0.933 484 A HN 0.540 nan 8.150 nan 0.000 0.475 485 V N -2.839 116.984 119.914 -0.151 0.000 3.130 485 V HA 0.588 4.709 4.120 0.001 0.000 0.310 485 V C -1.804 174.245 176.094 -0.075 0.000 1.158 485 V CA -1.261 60.979 62.300 -0.099 0.000 1.029 485 V CB 1.520 33.297 31.823 -0.076 0.000 1.057 485 V HN 0.062 nan 8.190 nan 0.000 0.436 486 D N 2.653 123.025 120.400 -0.048 0.000 2.341 486 D HA 0.475 5.115 4.640 0.001 0.000 0.245 486 D C -2.436 173.859 176.300 -0.008 0.000 1.106 486 D CA -1.015 52.967 54.000 -0.031 0.000 0.905 486 D CB 1.147 41.933 40.800 -0.023 0.000 1.202 486 D HN 0.605 nan 8.370 nan 0.000 0.426 487 P HA 0.175 nan 4.420 nan 0.000 0.269 487 P C -2.473 174.848 177.300 0.035 0.000 1.215 487 P CA -0.972 62.150 63.100 0.035 0.000 0.780 487 P CB -0.298 31.430 31.700 0.045 0.000 0.898 488 P HA 0.212 nan 4.420 nan 0.000 0.281 488 P C 0.723 178.049 177.300 0.043 0.000 1.264 488 P CA 0.183 63.302 63.100 0.032 0.000 0.824 488 P CB 0.466 32.178 31.700 0.021 0.000 1.092 489 G N 1.655 110.479 108.800 0.040 0.000 2.652 489 G HA2 -0.324 3.637 3.960 0.001 0.000 0.318 489 G HA3 -0.324 3.637 3.960 0.001 0.000 0.318 489 G C 0.324 175.280 174.900 0.094 0.000 1.295 489 G CA 0.478 45.610 45.100 0.054 0.000 0.999 489 G HN 0.630 nan 8.290 nan 0.000 0.548 490 Q N -0.261 119.625 119.800 0.144 0.000 2.189 490 Q HA 0.321 4.661 4.340 0.001 0.000 0.221 490 Q C 0.322 176.566 176.000 0.406 0.000 0.848 490 Q CA -0.421 55.547 55.803 0.275 0.000 1.007 490 Q CB 0.450 29.406 28.738 0.363 0.000 1.116 490 Q HN 0.529 nan 8.270 nan 0.000 0.481 491 C N 1.852 121.296 119.300 0.240 0.000 2.642 491 C HA 0.229 4.690 4.460 0.001 0.000 0.420 491 C C 0.759 175.859 174.990 0.183 0.000 1.349 491 C CA -0.057 59.105 59.018 0.239 0.000 1.821 491 C CB -0.491 27.329 27.740 0.133 0.000 2.637 491 C HN 0.436 nan 8.230 nan 0.000 0.605 492 R N 2.507 123.125 120.500 0.196 0.000 2.795 492 R HA 0.440 4.780 4.340 0.001 0.000 0.275 492 R C -2.917 173.415 176.300 0.053 0.000 0.981 492 R CA -1.608 54.501 56.100 0.015 0.000 0.917 492 R CB 1.490 31.638 30.300 -0.253 0.000 1.202 492 R HN 0.354 nan 8.270 nan 0.000 0.469 493 P HA 0.038 nan 4.420 nan 0.000 0.268 493 P C 0.159 177.489 177.300 0.049 0.000 1.204 493 P CA 0.125 63.240 63.100 0.025 0.000 0.768 493 P CB 0.737 32.431 31.700 -0.010 0.000 0.842 494 T N 1.485 116.095 114.554 0.094 0.000 2.833 494 T HA -0.099 4.252 4.350 0.001 0.000 0.269 494 T C 1.756 176.516 174.700 0.100 0.000 1.054 494 T CA 1.034 63.214 62.100 0.133 0.000 1.135 494 T CB -0.415 68.563 68.868 0.183 0.000 0.869 494 T HN 0.095 nan 8.240 nan 0.000 0.466 495 V N 2.714 122.664 119.914 0.061 0.000 2.282 495 V HA -0.248 3.872 4.120 0.001 0.000 0.249 495 V C 2.405 178.531 176.094 0.053 0.000 1.057 495 V CA 1.701 64.025 62.300 0.041 0.000 1.032 495 V CB -0.508 31.319 31.823 0.008 0.000 0.645 495 V HN 0.534 nan 8.190 nan 0.000 0.447 496 N N -0.343 118.373 118.700 0.027 0.000 2.171 496 N HA -0.120 4.620 4.740 0.001 0.000 0.184 496 N C 1.900 177.412 175.510 0.005 0.000 1.021 496 N CA 1.836 54.889 53.050 0.004 0.000 0.854 496 N CB -0.601 37.856 38.487 -0.051 0.000 0.994 496 N HN 0.456 nan 8.380 nan 0.000 0.426 497 T N 2.341 116.902 114.554 0.012 0.000 2.635 497 T HA -0.103 4.247 4.350 0.001 0.000 0.267 497 T C 1.971 176.771 174.700 0.166 0.000 1.040 497 T CA 0.779 62.921 62.100 0.071 0.000 1.156 497 T CB -0.252 68.718 68.868 0.170 0.000 0.863 497 T HN 0.005 nan 8.240 nan 0.000 0.430 498 L N 0.850 122.172 121.223 0.164 0.000 2.012 498 L HA -0.063 4.278 4.340 0.001 0.000 0.210 498 L C 2.668 179.654 176.870 0.193 0.000 1.073 498 L CA 1.291 56.256 54.840 0.207 0.000 0.748 498 L CB -1.277 40.847 42.059 0.109 0.000 0.891 498 L HN 0.147 nan 8.230 nan 0.000 0.431 499 V N -0.685 119.298 119.914 0.115 0.000 2.343 499 V HA -0.270 3.851 4.120 0.001 0.000 0.247 499 V C 2.590 178.705 176.094 0.035 0.000 1.051 499 V CA 1.759 64.096 62.300 0.063 0.000 1.036 499 V CB -0.435 31.434 31.823 0.077 0.000 0.654 499 V HN 0.423 nan 8.190 nan 0.000 0.451 500 E N 0.005 120.245 120.200 0.067 0.000 2.107 500 E HA -0.201 4.150 4.350 0.001 0.000 0.191 500 E C 1.874 178.545 176.600 0.118 0.000 0.982 500 E CA 1.311 57.748 56.400 0.061 0.000 0.809 500 E CB -0.419 29.305 29.700 0.040 0.000 0.756 500 E HN 0.566 nan 8.360 nan 0.000 0.459 501 F N 0.764 120.736 119.950 0.037 0.000 2.102 501 F HA -0.084 4.444 4.527 0.001 0.000 0.298 501 F C 2.004 177.812 175.800 0.013 0.000 1.105 501 F CA 1.863 59.894 58.000 0.051 0.000 1.239 501 F CB -0.904 38.134 39.000 0.064 0.000 0.991 501 F HN 0.071 nan 8.300 nan 0.000 0.474 502 A N 1.215 123.814 122.820 -0.368 0.000 1.873 502 A HA -0.237 4.084 4.320 0.001 0.000 0.218 502 A C 2.415 179.792 177.584 -0.345 0.000 1.193 502 A CA 2.076 53.794 52.037 -0.531 0.000 0.629 502 A CB -0.976 17.816 19.000 -0.347 0.000 0.826 502 A HN 0.506 nan 8.150 nan 0.000 0.447 503 R N -0.994 119.390 120.500 -0.194 0.000 2.080 503 R HA -0.145 4.196 4.340 0.001 0.000 0.236 503 R C 2.486 178.724 176.300 -0.104 0.000 1.137 503 R CA 1.917 57.939 56.100 -0.130 0.000 0.943 503 R CB -0.324 29.928 30.300 -0.080 0.000 0.846 503 R HN 0.499 nan 8.270 nan 0.000 0.431 504 R N -0.108 120.346 120.500 -0.077 0.000 2.152 504 R HA -0.052 4.289 4.340 0.001 0.000 0.232 504 R C 1.887 178.154 176.300 -0.056 0.000 1.117 504 R CA 1.246 57.327 56.100 -0.032 0.000 0.981 504 R CB -0.100 30.223 30.300 0.039 0.000 0.870 504 R HN 0.199 nan 8.270 nan 0.000 0.451 505 A N -0.270 122.454 122.820 -0.160 0.000 2.251 505 A HA 0.266 4.587 4.320 0.001 0.000 0.209 505 A C 1.309 178.867 177.584 -0.043 0.000 1.187 505 A CA 0.652 52.613 52.037 -0.127 0.000 0.823 505 A CB -0.081 18.727 19.000 -0.320 0.000 0.846 505 A HN 0.419 nan 8.150 nan 0.000 0.486 506 G N -1.493 107.265 108.800 -0.070 0.000 2.157 506 G HA2 -0.194 3.767 3.960 0.001 0.000 0.239 506 G HA3 -0.194 3.767 3.960 0.001 0.000 0.239 506 G C 0.201 175.065 174.900 -0.060 0.000 0.982 506 G CA 0.034 45.108 45.100 -0.044 0.000 0.650 506 G HN 0.710 nan 8.290 nan 0.000 0.527 507 V N 1.611 121.450 119.914 -0.126 0.000 2.740 507 V HA 0.181 4.301 4.120 0.001 0.000 0.303 507 V C 1.131 177.133 176.094 -0.152 0.000 1.054 507 V CA -0.210 61.980 62.300 -0.184 0.000 1.106 507 V CB 1.368 32.978 31.823 -0.354 0.000 0.957 507 V HN 0.434 nan 8.190 nan 0.000 0.486 508 D N 6.317 126.637 120.400 -0.132 0.000 2.581 508 D HA -0.021 4.620 4.640 0.001 0.000 0.238 508 D C -1.511 174.701 176.300 -0.147 0.000 1.145 508 D CA -0.886 53.045 54.000 -0.116 0.000 0.866 508 D CB 1.600 42.342 40.800 -0.097 0.000 1.151 508 D HN 0.294 nan 8.370 nan 0.000 0.500 509 P HA -0.155 nan 4.420 nan 0.000 0.218 509 P C 1.067 178.262 177.300 -0.177 0.000 1.148 509 P CA 0.981 63.996 63.100 -0.142 0.000 0.822 509 P CB 0.270 31.907 31.700 -0.106 0.000 0.784 510 Q N -1.251 118.456 119.800 -0.155 0.000 2.436 510 Q HA -0.033 4.308 4.340 0.001 0.000 0.209 510 Q C 1.632 177.495 176.000 -0.229 0.000 0.965 510 Q CA 0.786 56.488 55.803 -0.169 0.000 0.910 510 Q CB -0.909 27.765 28.738 -0.107 0.000 0.980 510 Q HN 0.088 nan 8.270 nan 0.000 0.491 511 L N -0.907 120.171 121.223 -0.240 0.000 2.240 511 L HA -0.004 4.337 4.340 0.001 0.000 0.211 511 L C 0.996 177.622 176.870 -0.407 0.000 1.106 511 L CA 0.915 55.577 54.840 -0.296 0.000 0.793 511 L CB 0.009 41.899 42.059 -0.282 0.000 0.927 511 L HN 0.209 nan 8.230 nan 0.000 0.446 512 V N -3.181 116.480 119.914 -0.422 0.000 2.759 512 V HA 0.384 4.504 4.120 0.001 0.000 0.342 512 V C 0.356 176.051 176.094 -0.665 0.000 1.228 512 V CA -0.691 61.319 62.300 -0.483 0.000 1.302 512 V CB -0.255 31.449 31.823 -0.200 0.000 1.496 512 V HN 0.226 nan 8.190 nan 0.000 0.628 513 N N 2.386 120.510 118.700 -0.960 0.000 3.178 513 N HA 0.366 5.107 4.740 0.001 0.000 0.300 513 N C -1.122 174.013 175.510 -0.625 0.000 1.242 513 N CA -0.140 52.534 53.050 -0.627 0.000 1.192 513 N CB -0.632 37.615 38.487 -0.401 0.000 1.463 513 N HN 0.668 nan 8.380 nan 0.000 0.539 514 F N -0.344 119.592 119.950 -0.022 0.000 2.539 514 F HA 0.409 4.937 4.527 0.001 0.000 0.318 514 F C 1.267 177.058 175.800 -0.015 0.000 1.135 514 F CA -1.052 56.943 58.000 -0.010 0.000 0.915 514 F CB 1.904 40.903 39.000 -0.002 0.000 1.176 514 F HN 0.009 nan 8.300 nan 0.000 0.440 515 R N 1.063 121.663 120.500 0.166 0.000 2.223 515 R HA 0.144 4.485 4.340 0.001 0.000 0.198 515 R C -0.352 175.987 176.300 0.065 0.000 0.984 515 R CA 0.408 56.556 56.100 0.080 0.000 1.018 515 R CB 0.026 30.353 30.300 0.046 0.000 0.945 515 R HN 0.802 nan 8.270 nan 0.000 0.479 516 N N -3.153 115.599 118.700 0.085 0.000 3.356 516 N HA 0.136 4.877 4.740 0.001 0.000 0.246 516 N C -0.321 175.197 175.510 0.013 0.000 1.480 516 N CA -0.190 52.879 53.050 0.032 0.000 0.877 516 N CB 0.254 38.747 38.487 0.009 0.000 1.431 516 N HN -0.164 nan 8.380 nan 0.000 0.500 517 A N -0.642 122.164 122.820 -0.022 0.000 2.066 517 A HA -0.079 4.242 4.320 0.001 0.000 0.218 517 A C 1.695 179.280 177.584 0.001 0.000 1.157 517 A CA 1.688 53.702 52.037 -0.040 0.000 0.670 517 A CB -0.876 18.089 19.000 -0.059 0.000 0.804 517 A HN 0.797 nan 8.150 nan 0.000 0.453 518 E N 0.016 120.222 120.200 0.010 0.000 2.106 518 E HA -0.217 4.134 4.350 0.001 0.000 0.192 518 E C 1.077 177.740 176.600 0.104 0.000 0.984 518 E CA 1.246 57.679 56.400 0.055 0.000 0.806 518 E CB -0.080 29.631 29.700 0.018 0.000 0.750 518 E HN 0.506 nan 8.360 nan 0.000 0.458 519 D N 0.132 120.585 120.400 0.089 0.000 2.117 519 D HA -0.160 4.481 4.640 0.001 0.000 0.197 519 D C 1.997 178.350 176.300 0.088 0.000 0.987 519 D CA 1.338 55.431 54.000 0.156 0.000 0.829 519 D CB -0.287 40.674 40.800 0.268 0.000 0.961 519 D HN 0.221 nan 8.370 nan 0.000 0.460 520 V N 0.097 119.879 119.914 -0.219 0.000 2.667 520 V HA -0.103 4.018 4.120 0.001 0.000 0.252 520 V C 1.915 177.830 176.094 -0.297 0.000 1.065 520 V CA 1.139 63.026 62.300 -0.688 0.000 1.083 520 V CB -0.421 30.699 31.823 -1.171 0.000 0.692 520 V HN 0.349 nan 8.190 nan 0.000 0.468 521 W N 1.046 122.229 121.300 -0.195 0.000 2.358 521 W HA -0.201 4.460 4.660 0.001 0.000 0.303 521 W C 2.157 178.676 176.519 -0.001 0.000 1.208 521 W CA 1.865 59.188 57.345 -0.037 0.000 1.274 521 W CB -0.274 29.175 29.460 -0.018 0.000 1.138 521 W HN 0.403 nan 8.180 nan 0.000 0.515 522 N N 0.651 119.383 118.700 0.055 0.000 2.166 522 N HA -0.200 4.541 4.740 0.001 0.000 0.186 522 N C 1.623 177.135 175.510 0.002 0.000 1.019 522 N CA 1.681 54.720 53.050 -0.019 0.000 0.856 522 N CB -0.746 37.773 38.487 0.053 0.000 0.993 522 N HN 0.427 nan 8.380 nan 0.000 0.426 523 E N -0.003 120.224 120.200 0.045 0.000 2.047 523 E HA -0.161 4.190 4.350 0.001 0.000 0.191 523 E C 1.833 178.477 176.600 0.072 0.000 0.987 523 E CA 0.617 57.096 56.400 0.133 0.000 0.799 523 E CB -0.169 29.710 29.700 0.298 0.000 0.752 523 E HN 0.508 nan 8.360 nan 0.000 0.449 524 W N 1.539 122.568 121.300 -0.452 0.000 2.363 524 W HA -0.212 4.448 4.660 0.001 0.000 0.296 524 W C 2.016 178.285 176.519 -0.417 0.000 1.212 524 W CA 0.724 57.790 57.345 -0.466 0.000 1.260 524 W CB -0.001 29.033 29.460 -0.711 0.000 1.131 524 W HN 0.038 nan 8.180 nan 0.000 0.530 525 R N -0.086 120.023 120.500 -0.651 0.000 2.096 525 R HA -0.272 4.068 4.340 0.001 0.000 0.240 525 R C 2.210 178.329 176.300 -0.300 0.000 1.139 525 R CA 2.239 57.852 56.100 -0.811 0.000 0.952 525 R CB -0.867 29.119 30.300 -0.523 0.000 0.854 525 R HN 0.220 nan 8.270 nan 0.000 0.436 526 M N 0.449 120.079 119.600 0.050 0.000 2.117 526 M HA -0.117 4.363 4.480 0.001 0.000 0.262 526 M C 1.962 178.198 176.300 -0.107 0.000 1.065 526 M CA 1.513 56.842 55.300 0.047 0.000 1.114 526 M CB -0.043 32.641 32.600 0.139 0.000 1.361 526 M HN -0.084 nan 8.290 nan 0.000 0.408 527 V N -0.051 119.849 119.914 -0.023 0.000 2.407 527 V HA -0.228 3.892 4.120 0.001 0.000 0.248 527 V C 2.521 178.527 176.094 -0.146 0.000 1.055 527 V CA 1.937 64.255 62.300 0.030 0.000 1.049 527 V CB -1.288 30.764 31.823 0.382 0.000 0.662 527 V HN 0.775 nan 8.190 nan 0.000 0.455 528 S N -0.779 114.652 115.700 -0.449 0.000 2.436 528 S HA -0.099 4.372 4.470 0.001 0.000 0.228 528 S C 1.173 175.519 174.600 -0.423 0.000 1.014 528 S CA 0.339 58.172 58.200 -0.611 0.000 0.950 528 S CB -0.289 62.096 63.200 -1.358 0.000 0.784 528 S HN 0.580 nan 8.310 nan 0.000 0.504 529 K N 1.083 121.250 120.400 -0.389 0.000 2.524 529 K HA 0.256 4.577 4.320 0.001 0.000 0.279 529 K C 1.287 177.724 176.600 -0.273 0.000 0.993 529 K CA 0.987 57.067 56.287 -0.346 0.000 1.030 529 K CB -0.328 31.876 32.500 -0.494 0.000 0.891 529 K HN 0.487 nan 8.250 nan 0.000 0.488 530 G N 2.224 110.885 108.800 -0.232 0.000 2.212 530 G HA2 -0.333 3.628 3.960 0.001 0.000 0.266 530 G HA3 -0.333 3.628 3.960 0.001 0.000 0.266 530 G C 0.292 175.111 174.900 -0.136 0.000 0.978 530 G CA 0.914 45.908 45.100 -0.177 0.000 0.632 530 G HN 0.841 nan 8.290 nan 0.000 0.537 531 T N -2.267 112.210 114.554 -0.128 0.000 2.824 531 T HA 0.530 4.881 4.350 0.001 0.000 0.277 531 T C 1.688 176.357 174.700 -0.051 0.000 0.975 531 T CA 1.026 63.089 62.100 -0.062 0.000 0.966 531 T CB 1.215 70.074 68.868 -0.014 0.000 1.054 531 T HN 0.980 nan 8.240 nan 0.000 0.533 532 T N -2.007 112.541 114.554 -0.009 0.000 3.215 532 T HA 0.058 4.408 4.350 0.001 0.000 0.254 532 T C 0.750 175.397 174.700 -0.089 0.000 1.149 532 T CA 0.325 62.384 62.100 -0.068 0.000 1.042 532 T CB -0.895 67.942 68.868 -0.051 0.000 0.966 532 T HN 0.703 nan 8.240 nan 0.000 0.534 533 Y N 0.503 120.703 120.300 -0.166 0.000 2.458 533 Y HA 0.280 4.831 4.550 0.001 0.000 0.256 533 Y C 1.047 176.812 175.900 -0.226 0.000 1.159 533 Y CA -1.192 56.656 58.100 -0.419 0.000 1.261 533 Y CB 0.163 38.278 38.460 -0.575 0.000 1.119 533 Y HN 0.182 nan 8.280 nan 0.000 0.524 534 D N 1.767 122.137 120.400 -0.050 0.000 3.061 534 D HA -0.201 4.440 4.640 0.001 0.000 0.226 534 D C -0.102 176.183 176.300 -0.026 0.000 1.168 534 D CA 0.863 54.778 54.000 -0.143 0.000 0.822 534 D CB -0.086 40.642 40.800 -0.121 0.000 1.152 534 D HN 0.420 nan 8.370 nan 0.000 0.555 535 F N 3.047 122.919 119.950 -0.130 0.000 2.850 535 F HA 0.272 4.800 4.527 0.001 0.000 0.329 535 F C 1.324 177.109 175.800 -0.026 0.000 1.182 535 F CA -1.270 56.698 58.000 -0.054 0.000 1.270 535 F CB -0.673 38.299 39.000 -0.047 0.000 0.979 535 F HN 0.365 nan 8.300 nan 0.000 0.506 536 W N 2.096 123.166 121.300 -0.383 0.000 2.308 536 W HA -0.187 4.473 4.660 0.001 0.000 0.301 536 W C 1.603 178.081 176.519 -0.069 0.000 1.220 536 W CA 2.108 59.282 57.345 -0.285 0.000 1.240 536 W CB -0.326 28.988 29.460 -0.242 0.000 1.142 536 W HN 0.381 nan 8.180 nan 0.000 0.521 537 G N 0.509 109.342 108.800 0.054 0.000 2.625 537 G HA2 -0.123 3.837 3.960 0.001 0.000 0.214 537 G HA3 -0.123 3.837 3.960 0.001 0.000 0.214 537 G C 0.873 175.802 174.900 0.049 0.000 1.132 537 G CA -0.030 45.084 45.100 0.023 0.000 0.782 537 G HN 0.160 nan 8.290 nan 0.000 0.538 538 M N 3.182 122.872 119.600 0.151 0.000 3.396 538 M HA 0.156 4.636 4.480 0.001 0.000 0.255 538 M C 0.584 177.073 176.300 0.315 0.000 1.398 538 M CA -0.282 55.193 55.300 0.291 0.000 1.554 538 M CB -0.048 32.873 32.600 0.535 0.000 1.070 538 M HN 0.117 nan 8.290 nan 0.000 0.587 539 T N -2.024 112.586 114.554 0.094 0.000 2.856 539 T HA 0.204 4.555 4.350 0.001 0.000 0.306 539 T C 1.472 176.227 174.700 0.091 0.000 1.062 539 T CA -0.565 61.569 62.100 0.057 0.000 1.083 539 T CB 1.419 70.255 68.868 -0.053 0.000 0.984 539 T HN 0.450 nan 8.240 nan 0.000 0.542 540 R N 0.729 121.269 120.500 0.067 0.000 2.103 540 R HA -0.125 4.215 4.340 0.001 0.000 0.242 540 R C 2.288 178.561 176.300 -0.046 0.000 1.142 540 R CA 1.848 57.926 56.100 -0.036 0.000 0.960 540 R CB -0.927 29.355 30.300 -0.030 0.000 0.858 540 R HN 0.843 nan 8.270 nan 0.000 0.439 541 E N 0.657 120.843 120.200 -0.024 0.000 2.077 541 E HA -0.128 4.223 4.350 0.001 0.000 0.193 541 E C 2.008 178.597 176.600 -0.018 0.000 0.989 541 E CA 1.375 57.761 56.400 -0.024 0.000 0.800 541 E CB -0.069 29.620 29.700 -0.019 0.000 0.746 541 E HN 0.209 nan 8.360 nan 0.000 0.452 542 R N -0.618 119.880 120.500 -0.003 0.000 2.081 542 R HA -0.100 4.240 4.340 0.001 0.000 0.235 542 R C 2.041 178.344 176.300 0.005 0.000 1.131 542 R CA 1.105 57.212 56.100 0.012 0.000 0.960 542 R CB -0.309 30.014 30.300 0.037 0.000 0.856 542 R HN 0.184 nan 8.270 nan 0.000 0.436 543 L N 0.732 121.947 121.223 -0.014 0.000 2.217 543 L HA -0.072 4.269 4.340 0.001 0.000 0.211 543 L C 2.182 179.010 176.870 -0.070 0.000 1.107 543 L CA 1.473 56.282 54.840 -0.051 0.000 0.783 543 L CB -0.612 41.362 42.059 -0.142 0.000 0.919 543 L HN 0.082 nan 8.230 nan 0.000 0.442 544 R N -0.630 119.829 120.500 -0.068 0.000 2.066 544 R HA -0.107 4.234 4.340 0.001 0.000 0.232 544 R C 2.163 178.440 176.300 -0.038 0.000 1.131 544 R CA 1.074 57.136 56.100 -0.062 0.000 0.955 544 R CB -0.086 30.179 30.300 -0.058 0.000 0.851 544 R HN 0.335 nan 8.270 nan 0.000 0.432 545 K N 0.406 120.791 120.400 -0.024 0.000 2.044 545 K HA -0.009 4.312 4.320 0.001 0.000 0.204 545 K C 0.610 177.205 176.600 -0.008 0.000 1.049 545 K CA 0.713 56.992 56.287 -0.014 0.000 0.945 545 K CB 0.039 32.534 32.500 -0.009 0.000 0.724 545 K HN 0.150 nan 8.250 nan 0.000 0.440 546 E N 1.331 121.531 120.200 -0.001 0.000 2.373 546 E HA 0.086 4.437 4.350 0.001 0.000 0.263 546 E C -0.314 176.293 176.600 0.012 0.000 1.073 546 E CA 0.041 56.448 56.400 0.011 0.000 0.894 546 E CB 1.195 30.911 29.700 0.026 0.000 1.008 546 E HN -0.073 nan 8.360 nan 0.000 0.420 547 S N 1.022 116.736 115.700 0.022 0.000 3.548 547 S HA 0.439 4.909 4.470 0.001 0.000 0.195 547 S C 0.274 174.914 174.600 0.068 0.000 1.432 547 S CA 0.007 58.227 58.200 0.034 0.000 1.087 547 S CB -0.146 63.070 63.200 0.025 0.000 1.337 547 S HN 0.716 nan 8.310 nan 0.000 0.505 548 G N 1.372 110.213 108.800 0.069 0.000 2.712 548 G HA2 -0.089 3.872 3.960 0.001 0.000 0.686 548 G HA3 -0.089 3.872 3.960 0.001 0.000 0.686 548 G C -1.293 173.663 174.900 0.092 0.000 1.181 548 G CA -1.123 44.039 45.100 0.103 0.000 0.762 548 G HN 0.476 nan 8.290 nan 0.000 0.641 549 L N 1.158 122.449 121.223 0.113 0.000 2.381 549 L HA 0.684 5.025 4.340 0.001 0.000 0.268 549 L C 0.376 177.273 176.870 0.046 0.000 0.997 549 L CA -1.087 53.807 54.840 0.090 0.000 0.818 549 L CB 2.236 44.371 42.059 0.127 0.000 1.310 549 L HN 0.565 nan 8.230 nan 0.000 0.416 550 I N 2.544 123.100 120.570 -0.023 0.000 2.331 550 I HA 0.209 4.379 4.170 0.001 0.000 0.292 550 I C -0.254 175.783 176.117 -0.133 0.000 0.998 550 I CA -0.466 60.734 61.300 -0.167 0.000 1.267 550 I CB 0.810 38.677 38.000 -0.222 0.000 1.386 550 I HN 0.567 nan 8.210 nan 0.000 0.476 551 W N 6.464 127.610 121.300 -0.257 0.000 2.215 551 W HA 0.487 5.148 4.660 0.001 0.000 0.342 551 W C -2.907 173.508 176.519 -0.174 0.000 1.237 551 W CA -2.719 54.507 57.345 -0.198 0.000 1.283 551 W CB -0.473 28.829 29.460 -0.262 0.000 1.131 551 W HN 0.198 nan 8.180 nan 0.000 0.606 552 P HA -0.004 nan 4.420 nan 0.000 0.264 552 P C -0.449 176.897 177.300 0.076 0.000 1.193 552 P CA 0.268 63.507 63.100 0.233 0.000 0.763 552 P CB 0.449 32.203 31.700 0.090 0.000 0.810 553 C N 6.804 126.159 119.300 0.091 0.000 3.418 553 C HA 0.379 4.840 4.460 0.001 0.000 0.238 553 C C -1.890 173.114 174.990 0.023 0.000 1.205 553 C CA -1.806 57.249 59.018 0.062 0.000 1.376 553 C CB 0.047 27.909 27.740 0.204 0.000 1.826 553 C HN 0.497 nan 8.230 nan 0.000 0.513 554 P HA 0.083 nan 4.420 nan 0.000 0.240 554 P C 0.249 177.635 177.300 0.144 0.000 1.190 554 P CA 0.975 64.067 63.100 -0.014 0.000 0.781 554 P CB 0.201 31.828 31.700 -0.122 0.000 0.931 555 S N -2.239 113.550 115.700 0.149 0.000 2.638 555 S HA 0.351 4.822 4.470 0.001 0.000 0.274 555 S C 0.722 175.409 174.600 0.145 0.000 1.157 555 S CA -0.783 57.535 58.200 0.197 0.000 0.826 555 S CB 1.377 64.683 63.200 0.176 0.000 1.139 555 S HN -0.199 nan 8.310 nan 0.000 0.474 556 E N 0.483 120.740 120.200 0.095 0.000 2.268 556 E HA -0.125 4.226 4.350 0.001 0.000 0.195 556 E C 0.297 176.942 176.600 0.075 0.000 0.995 556 E CA 1.424 57.858 56.400 0.057 0.000 0.836 556 E CB -0.169 29.544 29.700 0.022 0.000 0.763 556 E HN 0.777 nan 8.360 nan 0.000 0.491 557 D N -0.955 119.500 120.400 0.093 0.000 2.342 557 D HA -0.061 4.580 4.640 0.001 0.000 0.221 557 D C 0.207 176.559 176.300 0.087 0.000 1.101 557 D CA -0.042 54.002 54.000 0.073 0.000 0.837 557 D CB -0.236 40.597 40.800 0.054 0.000 0.938 557 D HN 0.048 nan 8.370 nan 0.000 0.508 558 H N 1.330 120.425 119.070 0.043 0.000 2.527 558 H HA 0.191 4.748 4.556 0.001 0.000 0.321 558 H C -1.669 173.681 175.328 0.036 0.000 1.087 558 H CA -1.506 54.566 56.048 0.041 0.000 1.337 558 H CB 2.245 32.039 29.762 0.053 0.000 1.440 558 H HN -0.121 nan 8.280 nan 0.000 0.490 559 P HA 0.128 nan 4.420 nan 0.000 0.236 559 P C 0.363 177.700 177.300 0.061 0.000 1.177 559 P CA 0.804 63.869 63.100 -0.058 0.000 0.773 559 P CB 0.784 32.406 31.700 -0.130 0.000 0.878 560 G N -0.982 107.980 108.800 0.270 0.000 2.566 560 G HA2 -0.049 3.912 3.960 0.001 0.000 0.599 560 G HA3 -0.049 3.912 3.960 0.001 0.000 0.599 560 G C -1.148 173.854 174.900 0.170 0.000 1.292 560 G CA -0.643 44.603 45.100 0.243 0.000 0.922 560 G HN 0.140 nan 8.290 nan 0.000 0.514 561 T N 0.224 114.803 114.554 0.041 0.000 2.841 561 T HA 0.649 4.999 4.350 0.001 0.000 0.285 561 T C 1.271 175.892 174.700 -0.133 0.000 0.991 561 T CA 0.426 62.516 62.100 -0.017 0.000 0.966 561 T CB 1.609 70.454 68.868 -0.039 0.000 0.962 561 T HN 1.532 nan 8.240 nan 0.000 0.438 562 S N 2.968 118.603 115.700 -0.108 0.000 2.452 562 S HA 0.249 4.720 4.470 0.001 0.000 0.225 562 S C 0.554 175.056 174.600 -0.164 0.000 1.057 562 S CA -0.161 57.953 58.200 -0.143 0.000 0.949 562 S CB -0.225 62.915 63.200 -0.100 0.000 0.836 562 S HN 0.538 nan 8.310 nan 0.000 0.518 563 L N 2.872 124.022 121.223 -0.122 0.000 2.272 563 L HA 0.476 4.816 4.340 0.001 0.000 0.284 563 L C 0.105 176.863 176.870 -0.186 0.000 1.045 563 L CA -0.521 54.238 54.840 -0.134 0.000 0.842 563 L CB 0.951 42.978 42.059 -0.055 0.000 1.224 563 L HN 0.090 nan 8.230 nan 0.000 0.430 564 R N 2.602 122.887 120.500 -0.357 0.000 2.594 564 R HA 0.180 4.521 4.340 0.001 0.000 0.272 564 R C -0.402 175.579 176.300 -0.532 0.000 1.074 564 R CA -0.126 55.637 56.100 -0.561 0.000 1.105 564 R CB 0.310 30.012 30.300 -0.996 0.000 1.008 564 R HN 0.473 nan 8.270 nan 0.000 0.472 565 Y N -2.134 118.067 120.300 -0.164 0.000 4.943 565 Y HA -0.218 4.333 4.550 0.001 0.000 0.258 565 Y C -0.476 175.354 175.900 -0.116 0.000 0.930 565 Y CA -0.234 57.672 58.100 -0.324 0.000 1.902 565 Y CB -2.124 35.977 38.460 -0.598 0.000 1.386 565 Y HN 0.267 nan 8.280 nan 0.000 0.558 566 V N 1.585 121.573 119.914 0.124 0.000 2.370 566 V HA 0.330 4.451 4.120 0.001 0.000 0.283 566 V C 0.846 177.039 176.094 0.166 0.000 1.023 566 V CA -1.191 61.242 62.300 0.222 0.000 0.857 566 V CB 1.722 33.666 31.823 0.202 0.000 0.985 566 V HN 0.219 nan 8.190 nan 0.000 0.443 567 R N 3.215 123.808 120.500 0.156 0.000 2.502 567 R HA 0.314 4.654 4.340 0.001 0.000 0.292 567 R C 1.302 177.655 176.300 0.089 0.000 0.998 567 R CA 1.398 57.574 56.100 0.128 0.000 1.056 567 R CB -0.035 30.330 30.300 0.108 0.000 0.939 567 R HN 1.142 nan 8.270 nan 0.000 0.411 568 G N 2.769 111.622 108.800 0.089 0.000 2.234 568 G HA2 -0.239 3.722 3.960 0.001 0.000 0.235 568 G HA3 -0.239 3.722 3.960 0.001 0.000 0.235 568 G C 0.698 175.635 174.900 0.062 0.000 0.997 568 G CA 0.203 45.342 45.100 0.065 0.000 0.623 568 G HN 0.587 nan 8.290 nan 0.000 0.514 569 Q N -0.058 119.784 119.800 0.070 0.000 2.423 569 Q HA 0.205 4.546 4.340 0.001 0.000 0.231 569 Q C 0.139 176.179 176.000 0.067 0.000 0.894 569 Q CA 0.890 56.725 55.803 0.053 0.000 0.938 569 Q CB 0.553 29.314 28.738 0.038 0.000 1.079 569 Q HN 0.565 nan 8.270 nan 0.000 0.552 570 D N 1.061 121.511 120.400 0.083 0.000 2.408 570 D HA 0.176 4.817 4.640 0.001 0.000 0.243 570 D C -1.916 174.440 176.300 0.095 0.000 1.075 570 D CA -2.166 51.882 54.000 0.080 0.000 0.832 570 D CB 2.060 42.910 40.800 0.083 0.000 1.162 570 D HN -0.165 nan 8.370 nan 0.000 0.515 571 P HA -0.001 nan 4.420 nan 0.000 0.229 571 P C 1.130 178.414 177.300 -0.025 0.000 1.160 571 P CA 0.299 63.418 63.100 0.031 0.000 0.777 571 P CB 0.127 31.788 31.700 -0.064 0.000 0.814 572 C N -0.539 118.717 119.300 -0.074 0.000 2.472 572 C HA 0.065 4.525 4.460 0.001 0.000 0.278 572 C C 1.307 176.189 174.990 -0.181 0.000 1.447 572 C CA 0.076 58.939 59.018 -0.259 0.000 1.773 572 C CB -1.127 26.248 27.740 -0.608 0.000 1.793 572 C HN 0.031 nan 8.230 nan 0.000 0.544 573 V N 3.137 123.097 119.914 0.077 0.000 2.385 573 V HA 0.220 4.340 4.120 0.001 0.000 0.269 573 V C -2.095 174.100 176.094 0.168 0.000 1.043 573 V CA -1.236 61.200 62.300 0.226 0.000 0.906 573 V CB 0.514 32.508 31.823 0.285 0.000 0.995 573 V HN 0.185 nan 8.190 nan 0.000 0.467 574 P HA 0.068 nan 4.420 nan 0.000 0.265 574 P C 0.747 178.131 177.300 0.139 0.000 1.187 574 P CA 0.096 63.280 63.100 0.140 0.000 0.766 574 P CB 0.776 32.569 31.700 0.156 0.000 0.820 575 A N 3.256 126.134 122.820 0.096 0.000 2.024 575 A HA -0.190 4.131 4.320 0.001 0.000 0.220 575 A C 1.235 178.863 177.584 0.074 0.000 1.164 575 A CA 1.979 54.064 52.037 0.080 0.000 0.643 575 A CB -0.947 18.087 19.000 0.057 0.000 0.806 575 A HN 0.647 nan 8.150 nan 0.000 0.451 576 D N -2.167 118.276 120.400 0.073 0.000 2.388 576 D HA 0.109 4.750 4.640 0.001 0.000 0.221 576 D C 0.386 176.712 176.300 0.044 0.000 1.133 576 D CA -0.504 53.522 54.000 0.043 0.000 0.831 576 D CB -1.114 39.698 40.800 0.020 0.000 0.962 576 D HN 0.466 nan 8.370 nan 0.000 0.502 577 H N 2.218 121.279 119.070 -0.016 0.000 3.140 577 H HA 0.010 4.567 4.556 0.001 0.000 0.316 577 H C -1.125 174.156 175.328 -0.078 0.000 0.986 577 H CA -0.657 55.346 56.048 -0.074 0.000 1.397 577 H CB 1.033 30.759 29.762 -0.059 0.000 1.377 577 H HN -0.095 nan 8.280 nan 0.000 0.585 578 P HA -0.046 nan 4.420 nan 0.000 0.226 578 P C -0.545 176.592 177.300 -0.271 0.000 1.153 578 P CA 0.903 63.789 63.100 -0.356 0.000 0.777 578 P CB 0.619 32.104 31.700 -0.359 0.000 0.794 579 D N -0.557 119.665 120.400 -0.296 0.000 2.342 579 D HA 0.123 4.764 4.640 0.001 0.000 0.243 579 D C 1.476 177.840 176.300 0.107 0.000 1.019 579 D CA -0.545 53.446 54.000 -0.015 0.000 0.864 579 D CB 1.788 42.650 40.800 0.103 0.000 1.315 579 D HN 0.007 nan 8.370 nan 0.000 0.468 580 R N 0.392 120.858 120.500 -0.058 0.000 2.120 580 R HA -0.046 4.295 4.340 0.001 0.000 0.234 580 R C -0.009 176.061 176.300 -0.383 0.000 1.123 580 R CA 0.900 56.803 56.100 -0.328 0.000 0.975 580 R CB -0.242 29.668 30.300 -0.649 0.000 0.866 580 R HN 0.175 nan 8.270 nan 0.000 0.446 581 F N -0.396 119.607 119.950 0.089 0.000 2.575 581 F HA 0.559 5.086 4.527 0.001 0.000 0.330 581 F C -0.473 175.403 175.800 0.126 0.000 1.056 581 F CA -2.027 55.900 58.000 -0.121 0.000 0.964 581 F CB 1.229 39.874 39.000 -0.593 0.000 1.258 581 F HN -0.182 nan 8.300 nan 0.000 0.484 582 F N 2.339 122.192 119.950 -0.162 0.000 3.395 582 F HA 0.376 4.904 4.527 0.001 0.000 0.382 582 F C -1.859 173.713 175.800 -0.381 0.000 1.264 582 F CA -2.152 55.759 58.000 -0.149 0.000 1.277 582 F CB 0.252 39.065 39.000 -0.312 0.000 1.780 582 F HN 0.275 nan 8.300 nan 0.000 0.691 583 F N 7.341 127.331 119.950 0.066 0.000 2.661 583 F HA 0.147 4.674 4.527 0.001 0.000 0.356 583 F C 1.000 176.521 175.800 -0.465 0.000 1.244 583 F CA -0.474 57.251 58.000 -0.459 0.000 1.290 583 F CB -0.505 38.339 39.000 -0.260 0.000 1.677 583 F HN 0.445 nan 8.300 nan 0.000 0.649 584 Y N -1.139 118.805 120.300 -0.593 0.000 2.651 584 Y HA 0.052 4.603 4.550 0.001 0.000 0.296 584 Y C 1.810 177.572 175.900 -0.230 0.000 1.150 584 Y CA 0.171 57.787 58.100 -0.807 0.000 1.348 584 Y CB -1.370 36.386 38.460 -1.173 0.000 0.983 584 Y HN 0.364 nan 8.280 nan 0.000 0.555 585 G N 0.413 109.225 108.800 0.020 0.000 2.598 585 G HA2 -0.035 3.926 3.960 0.001 0.000 0.215 585 G HA3 -0.035 3.926 3.960 0.001 0.000 0.215 585 G C 0.690 175.662 174.900 0.120 0.000 1.131 585 G CA -0.039 45.143 45.100 0.137 0.000 0.785 585 G HN 0.090 nan 8.290 nan 0.000 0.539 586 K N 0.053 120.511 120.400 0.096 0.000 2.203 586 K HA 0.298 4.619 4.320 0.001 0.000 0.251 586 K C -1.712 174.978 176.600 0.151 0.000 0.944 586 K CA -2.263 54.088 56.287 0.108 0.000 0.829 586 K CB 2.338 34.879 32.500 0.068 0.000 1.125 586 K HN -0.181 nan 8.250 nan 0.000 0.430 587 P HA -0.163 nan 4.420 nan 0.000 0.219 587 P C 0.263 177.669 177.300 0.176 0.000 1.146 587 P CA 1.386 64.574 63.100 0.146 0.000 0.808 587 P CB 0.286 32.048 31.700 0.103 0.000 0.779 588 D N -2.273 118.225 120.400 0.163 0.000 2.369 588 D HA 0.156 4.796 4.640 0.001 0.000 0.211 588 D C 1.351 177.805 176.300 0.257 0.000 1.077 588 D CA 0.294 54.394 54.000 0.166 0.000 0.842 588 D CB -0.674 40.181 40.800 0.091 0.000 0.947 588 D HN 0.216 nan 8.370 nan 0.000 0.509 589 G N 0.700 109.723 108.800 0.372 0.000 2.143 589 G HA2 -0.304 3.657 3.960 0.001 0.000 0.249 589 G HA3 -0.304 3.657 3.960 0.001 0.000 0.249 589 G C 0.025 175.217 174.900 0.488 0.000 0.981 589 G CA -0.156 45.292 45.100 0.579 0.000 0.665 589 G HN 0.443 nan 8.290 nan 0.000 0.528 590 R N 0.081 120.752 120.500 0.286 0.000 2.514 590 R HA 0.718 5.059 4.340 0.001 0.000 0.301 590 R C 0.636 176.915 176.300 -0.035 0.000 0.962 590 R CA -0.092 56.124 56.100 0.192 0.000 0.882 590 R CB 1.654 31.985 30.300 0.052 0.000 1.143 590 R HN 0.431 nan 8.270 nan 0.000 0.452 591 A N 2.251 124.885 122.820 -0.309 0.000 2.310 591 A HA 0.438 4.759 4.320 0.001 0.000 0.260 591 A C -0.254 177.001 177.584 -0.548 0.000 1.112 591 A CA -0.281 51.355 52.037 -0.668 0.000 0.804 591 A CB 0.661 18.933 19.000 -1.213 0.000 1.081 591 A HN 0.420 nan 8.150 nan 0.000 0.499 592 V N 1.045 120.583 119.914 -0.627 0.000 2.577 592 V HA 0.301 4.422 4.120 0.001 0.000 0.303 592 V C -0.357 175.332 176.094 -0.675 0.000 1.042 592 V CA -0.186 61.720 62.300 -0.655 0.000 0.872 592 V CB 1.483 32.898 31.823 -0.680 0.000 0.998 592 V HN 0.697 nan 8.190 nan 0.000 0.423 593 I N 3.902 123.999 120.570 -0.789 0.000 2.395 593 I HA 0.280 4.451 4.170 0.001 0.000 0.289 593 I C -0.838 174.875 176.117 -0.674 0.000 1.023 593 I CA 0.081 60.969 61.300 -0.687 0.000 1.350 593 I CB 0.992 38.420 38.000 -0.953 0.000 1.409 593 I HN 0.597 nan 8.210 nan 0.000 0.507 594 W N 6.770 127.853 121.300 -0.361 0.000 2.411 594 W HA 0.442 5.103 4.660 0.001 0.000 0.317 594 W C -0.031 176.282 176.519 -0.343 0.000 1.030 594 W CA -0.621 56.528 57.345 -0.327 0.000 1.239 594 W CB 1.270 30.557 29.460 -0.289 0.000 1.304 594 W HN 0.293 nan 8.180 nan 0.000 0.437 595 M N 5.102 124.543 119.600 -0.265 0.000 3.596 595 M HA 0.168 4.649 4.480 0.001 0.000 0.219 595 M C 0.102 176.063 176.300 -0.564 0.000 1.471 595 M CA 0.009 54.855 55.300 -0.757 0.000 1.644 595 M CB -0.388 31.463 32.600 -1.248 0.000 1.083 595 M HN 0.072 nan 8.290 nan 0.000 0.579 596 R N 1.426 121.826 120.500 -0.166 0.000 2.316 596 R HA 0.294 4.634 4.340 0.001 0.000 0.314 596 R C -2.609 173.854 176.300 0.272 0.000 1.069 596 R CA -2.158 53.803 56.100 -0.231 0.000 0.959 596 R CB -0.523 29.421 30.300 -0.594 0.000 0.987 596 R HN 0.167 nan 8.270 nan 0.000 0.446 597 P HA 0.055 nan 4.420 nan 0.000 0.271 597 P C -0.605 176.933 177.300 0.396 0.000 1.226 597 P CA -0.059 63.306 63.100 0.442 0.000 0.765 597 P CB 0.741 32.639 31.700 0.329 0.000 0.835 598 A N 4.377 127.451 122.820 0.423 0.000 2.409 598 A HA 0.312 4.633 4.320 0.001 0.000 0.267 598 A C 0.485 178.203 177.584 0.223 0.000 1.127 598 A CA 0.281 52.489 52.037 0.283 0.000 0.795 598 A CB -0.068 19.103 19.000 0.284 0.000 1.061 598 A HN 0.490 nan 8.150 nan 0.000 0.502 599 K N 1.409 121.901 120.400 0.153 0.000 2.221 599 K HA 0.711 5.032 4.320 0.001 0.000 0.294 599 K C 0.707 177.348 176.600 0.068 0.000 0.960 599 K CA -0.176 56.175 56.287 0.108 0.000 1.024 599 K CB 0.884 33.444 32.500 0.100 0.000 3.406 599 K HN 0.741 nan 8.250 nan 0.000 1.152 600 G N -0.083 108.748 108.800 0.052 0.000 3.085 600 G HA2 0.603 4.564 3.960 0.001 0.000 0.264 600 G HA3 0.603 4.564 3.960 0.001 0.000 0.264 600 G C -1.539 173.383 174.900 0.036 0.000 1.206 600 G CA -0.419 44.710 45.100 0.048 0.000 0.809 600 G HN 0.529 nan 8.290 nan 0.000 0.592 601 A N -0.747 122.113 122.820 0.067 0.000 2.304 601 A HA 0.638 4.959 4.320 0.001 0.000 0.271 601 A C 1.714 179.314 177.584 0.027 0.000 1.091 601 A CA 0.810 52.880 52.037 0.054 0.000 0.812 601 A CB 0.677 19.747 19.000 0.116 0.000 1.056 601 A HN 1.787 nan 8.150 nan 0.000 0.489 602 A N 0.291 123.111 122.820 -0.000 0.000 1.908 602 A HA -0.060 4.260 4.320 0.001 0.000 0.218 602 A C 1.070 178.643 177.584 -0.017 0.000 1.181 602 A CA 1.837 53.862 52.037 -0.019 0.000 0.627 602 A CB -0.282 18.694 19.000 -0.040 0.000 0.818 602 A HN 0.828 nan 8.150 nan 0.000 0.445 603 E N 0.801 120.993 120.200 -0.013 0.000 2.149 603 E HA 0.255 4.605 4.350 0.001 0.000 0.255 603 E C -1.074 175.519 176.600 -0.012 0.000 0.888 603 E CA -0.437 55.944 56.400 -0.033 0.000 0.742 603 E CB 0.480 30.136 29.700 -0.074 0.000 1.164 603 E HN 0.350 nan 8.360 nan 0.000 0.422 604 E N 3.770 123.962 120.200 -0.015 0.000 2.277 604 E HA 0.307 4.658 4.350 0.001 0.000 0.274 604 E C -2.277 174.249 176.600 -0.122 0.000 1.022 604 E CA -2.160 54.221 56.400 -0.032 0.000 0.853 604 E CB 1.186 30.895 29.700 0.015 0.000 1.086 604 E HN 0.426 nan 8.360 nan 0.000 0.397 605 P HA -0.065 nan 4.420 nan 0.000 0.266 605 P C -0.684 176.545 177.300 -0.119 0.000 1.186 605 P CA 0.547 63.495 63.100 -0.254 0.000 0.767 605 P CB 0.496 31.901 31.700 -0.490 0.000 0.820 606 D N -0.098 120.269 120.400 -0.055 0.000 2.759 606 D HA 0.365 5.006 4.640 0.001 0.000 0.321 606 D C 0.712 176.993 176.300 -0.032 0.000 1.267 606 D CA -0.624 53.358 54.000 -0.030 0.000 0.933 606 D CB 0.016 40.814 40.800 -0.002 0.000 1.431 606 D HN 0.170 nan 8.370 nan 0.000 0.504 607 A N -0.075 122.724 122.820 -0.035 0.000 1.927 607 A HA -0.279 4.042 4.320 0.001 0.000 0.220 607 A C 1.905 179.435 177.584 -0.090 0.000 1.185 607 A CA 2.514 54.520 52.037 -0.052 0.000 0.639 607 A CB -1.033 17.940 19.000 -0.045 0.000 0.820 607 A HN 0.725 nan 8.150 nan 0.000 0.451 608 E N -1.885 118.252 120.200 -0.105 0.000 2.047 608 E HA -0.126 4.225 4.350 0.001 0.000 0.191 608 E C -0.388 175.948 176.600 -0.439 0.000 0.987 608 E CA 0.711 56.956 56.400 -0.259 0.000 0.799 608 E CB -0.040 29.534 29.700 -0.211 0.000 0.752 608 E HN 0.677 nan 8.360 nan 0.000 0.449 609 Y N 0.037 120.291 120.300 -0.076 0.000 2.805 609 Y HA 0.266 4.817 4.550 0.001 0.000 0.339 609 Y C -1.976 173.854 175.900 -0.117 0.000 1.012 609 Y CA -2.115 55.930 58.100 -0.092 0.000 1.262 609 Y CB 1.756 40.156 38.460 -0.099 0.000 1.100 609 Y HN 0.155 nan 8.280 nan 0.000 0.559 610 P HA 0.050 nan 4.420 nan 0.000 0.255 610 P C -0.275 176.969 177.300 -0.093 0.000 1.248 610 P CA 0.700 63.763 63.100 -0.062 0.000 0.807 610 P CB 0.839 32.507 31.700 -0.052 0.000 1.150 611 L N -0.728 120.448 121.223 -0.078 0.000 2.342 611 L HA 0.421 4.761 4.340 0.001 0.000 0.271 611 L C 0.125 176.920 176.870 -0.125 0.000 1.008 611 L CA -1.440 53.363 54.840 -0.062 0.000 0.818 611 L CB 1.198 43.264 42.059 0.013 0.000 1.296 611 L HN -0.183 nan 8.230 nan 0.000 0.427 612 Y N 2.231 122.554 120.300 0.038 0.000 2.346 612 Y HA 0.333 4.884 4.550 0.001 0.000 0.330 612 Y C -0.026 175.895 175.900 0.035 0.000 1.178 612 Y CA -0.083 58.041 58.100 0.038 0.000 1.331 612 Y CB 1.093 39.587 38.460 0.058 0.000 1.253 612 Y HN 0.297 nan 8.280 nan 0.000 0.529 613 L N 3.114 124.444 121.223 0.178 0.000 2.381 613 L HA 0.592 4.933 4.340 0.001 0.000 0.274 613 L C -0.448 176.577 176.870 0.258 0.000 0.988 613 L CA -0.080 54.823 54.840 0.106 0.000 0.824 613 L CB 1.971 43.951 42.059 -0.131 0.000 1.263 613 L HN 0.650 nan 8.230 nan 0.000 0.410 614 T N 2.288 117.028 114.554 0.309 0.000 2.926 614 T HA 0.875 5.226 4.350 0.001 0.000 0.289 614 T C -0.881 174.053 174.700 0.389 0.000 1.054 614 T CA -0.065 62.252 62.100 0.363 0.000 1.015 614 T CB 1.227 70.219 68.868 0.207 0.000 1.167 614 T HN 0.852 nan 8.240 nan 0.000 0.526 615 S N 1.630 117.424 115.700 0.156 0.000 2.548 615 S HA 0.858 5.329 4.470 0.001 0.000 0.286 615 S C -0.987 173.640 174.600 0.044 0.000 1.098 615 S CA -0.971 57.249 58.200 0.032 0.000 0.930 615 S CB 1.547 64.520 63.200 -0.378 0.000 1.070 615 S HN 0.831 nan 8.310 nan 0.000 0.480 616 M N -0.256 119.432 119.600 0.146 0.000 2.644 616 M HA 0.681 5.162 4.480 0.001 0.000 0.273 616 M C -1.126 175.278 176.300 0.174 0.000 1.253 616 M CA -0.873 54.516 55.300 0.150 0.000 0.852 616 M CB 0.788 33.458 32.600 0.116 0.000 1.708 616 M HN 0.361 nan 8.290 nan 0.000 0.471 617 R N 0.586 121.152 120.500 0.109 0.000 2.539 617 R HA 0.736 5.076 4.340 0.001 0.000 0.275 617 R C -0.994 175.324 176.300 0.029 0.000 1.077 617 R CA -0.692 55.416 56.100 0.014 0.000 1.097 617 R CB 0.828 31.109 30.300 -0.032 0.000 1.018 617 R HN 0.674 nan 8.270 nan 0.000 0.483 618 V N 3.447 123.364 119.914 0.006 0.000 2.680 618 V HA 0.228 4.348 4.120 0.001 0.000 0.309 618 V C 1.630 177.673 176.094 -0.084 0.000 1.052 618 V CA -0.548 61.770 62.300 0.031 0.000 0.908 618 V CB 2.139 34.064 31.823 0.169 0.000 1.001 618 V HN 0.770 nan 8.190 nan 0.000 0.431 619 I N 2.231 122.737 120.570 -0.106 0.000 2.394 619 I HA -0.139 4.032 4.170 0.001 0.000 0.251 619 I C 1.644 177.628 176.117 -0.222 0.000 1.136 619 I CA 1.516 62.724 61.300 -0.154 0.000 1.425 619 I CB 0.203 38.119 38.000 -0.140 0.000 1.079 619 I HN 0.782 nan 8.210 nan 0.000 0.425 620 D N -0.756 119.476 120.400 -0.280 0.000 2.323 620 D HA -0.016 4.624 4.640 0.001 0.000 0.209 620 D C 0.256 176.191 176.300 -0.609 0.000 0.973 620 D CA 0.846 54.586 54.000 -0.434 0.000 0.874 620 D CB 0.168 40.673 40.800 -0.491 0.000 0.930 620 D HN 0.379 nan 8.370 nan 0.000 0.521 621 H N -0.671 118.192 119.070 -0.345 0.000 2.529 621 H HA 0.077 4.634 4.556 0.001 0.000 0.348 621 H C -0.700 174.457 175.328 -0.285 0.000 1.079 621 H CA -0.618 55.214 56.048 -0.359 0.000 1.198 621 H CB 1.406 30.843 29.762 -0.543 0.000 1.521 621 H HN 0.107 nan 8.280 nan 0.000 0.514 622 W N 6.142 127.246 121.300 -0.327 0.000 2.358 622 W HA 0.078 4.739 4.660 0.001 0.000 0.307 622 W C -0.057 176.309 176.519 -0.255 0.000 1.203 622 W CA 0.165 57.265 57.345 -0.409 0.000 1.279 622 W CB 0.092 29.278 29.460 -0.458 0.000 1.264 622 W HN 0.833 nan 8.180 nan 0.000 0.474 623 H N 1.172 119.853 119.070 -0.649 0.000 1.452 623 H HA -0.343 4.214 4.556 0.001 0.000 0.090 623 H C 1.897 176.955 175.328 -0.450 0.000 1.060 623 H CA 3.178 58.849 56.048 -0.628 0.000 1.901 623 H CB -1.712 27.688 29.762 -0.603 0.000 2.257 623 H HN 0.473 nan 8.280 nan 0.000 0.961 624 T N -0.492 113.938 114.554 -0.207 0.000 3.148 624 T HA 0.468 4.818 4.350 0.001 0.000 0.253 624 T C 1.294 175.901 174.700 -0.155 0.000 1.134 624 T CA 1.782 63.633 62.100 -0.414 0.000 1.051 624 T CB -0.267 68.257 68.868 -0.573 0.000 0.959 624 T HN 1.334 nan 8.240 nan 0.000 0.525 625 A N 0.958 123.728 122.820 -0.083 0.000 2.847 625 A HA -0.229 4.091 4.320 0.001 0.000 0.263 625 A C 1.772 179.313 177.584 -0.072 0.000 1.391 625 A CA 1.582 53.571 52.037 -0.081 0.000 0.866 625 A CB -2.881 15.909 19.000 -0.350 0.000 1.057 625 A HN 1.117 nan 8.150 nan 0.000 0.673 626 T N -3.517 110.989 114.554 -0.079 0.000 3.072 626 T HA 0.208 4.559 4.350 0.001 0.000 0.266 626 T C 1.482 175.846 174.700 -0.560 0.000 1.127 626 T CA 1.528 63.512 62.100 -0.193 0.000 1.107 626 T CB -0.219 68.605 68.868 -0.073 0.000 0.910 626 T HN 0.612 nan 8.240 nan 0.000 0.513 627 M N 1.243 120.618 119.600 -0.375 0.000 2.962 627 M HA 0.121 4.602 4.480 0.001 0.000 0.242 627 M C 2.835 179.052 176.300 -0.139 0.000 1.396 627 M CA 1.320 56.371 55.300 -0.416 0.000 1.287 627 M CB -0.325 32.174 32.600 -0.169 0.000 1.168 627 M HN 0.340 nan 8.290 nan 0.000 0.557 628 T N -1.049 113.503 114.554 -0.003 0.000 2.849 628 T HA -0.082 4.268 4.350 0.001 0.000 0.270 628 T C 1.793 176.514 174.700 0.035 0.000 1.066 628 T CA 1.458 63.556 62.100 -0.005 0.000 1.130 628 T CB -1.205 67.641 68.868 -0.037 0.000 0.864 628 T HN 0.522 nan 8.240 nan 0.000 0.481 629 G N 1.362 110.200 108.800 0.064 0.000 2.559 629 G HA2 -0.070 3.891 3.960 0.001 0.000 0.216 629 G HA3 -0.070 3.891 3.960 0.001 0.000 0.216 629 G C 1.593 176.496 174.900 0.004 0.000 1.126 629 G CA 0.121 45.261 45.100 0.067 0.000 0.778 629 G HN 0.422 nan 8.290 nan 0.000 0.543 630 K N 0.162 120.535 120.400 -0.045 0.000 2.426 630 K HA 0.141 4.462 4.320 0.001 0.000 0.193 630 K C 0.320 176.913 176.600 -0.012 0.000 1.028 630 K CA 0.033 56.302 56.287 -0.031 0.000 1.047 630 K CB 0.656 33.122 32.500 -0.056 0.000 0.821 630 K HN 0.205 nan 8.250 nan 0.000 0.513 631 V N 3.609 123.510 119.914 -0.021 0.000 2.318 631 V HA 0.111 4.232 4.120 0.001 0.000 0.271 631 V C -1.725 174.346 176.094 -0.037 0.000 1.030 631 V CA -1.474 60.811 62.300 -0.025 0.000 0.844 631 V CB 1.336 33.136 31.823 -0.038 0.000 1.015 631 V HN -0.068 nan 8.190 nan 0.000 0.460 632 P HA -0.201 nan 4.420 nan 0.000 0.215 632 P C 1.600 178.874 177.300 -0.044 0.000 1.157 632 P CA 1.328 64.415 63.100 -0.022 0.000 0.874 632 P CB 0.244 31.937 31.700 -0.011 0.000 0.790 633 E N -0.714 119.455 120.200 -0.053 0.000 2.150 633 E HA -0.139 4.212 4.350 0.001 0.000 0.193 633 E C 1.837 178.365 176.600 -0.119 0.000 0.985 633 E CA 1.080 57.438 56.400 -0.070 0.000 0.814 633 E CB -1.189 28.476 29.700 -0.057 0.000 0.752 633 E HN 0.182 nan 8.360 nan 0.000 0.466 634 L N 1.348 122.479 121.223 -0.153 0.000 2.044 634 L HA -0.140 4.201 4.340 0.001 0.000 0.205 634 L C 2.755 179.417 176.870 -0.347 0.000 1.075 634 L CA 1.785 56.460 54.840 -0.276 0.000 0.747 634 L CB -1.141 40.741 42.059 -0.295 0.000 0.903 634 L HN 0.152 nan 8.230 nan 0.000 0.435 635 Q N -0.073 119.614 119.800 -0.189 0.000 2.124 635 Q HA -0.212 4.129 4.340 0.001 0.000 0.202 635 Q C 2.149 178.127 176.000 -0.037 0.000 0.977 635 Q CA 1.807 57.576 55.803 -0.057 0.000 0.850 635 Q CB -0.087 28.672 28.738 0.036 0.000 0.901 635 Q HN 0.339 nan 8.270 nan 0.000 0.429 636 K N -0.527 119.840 120.400 -0.055 0.000 2.148 636 K HA -0.003 4.317 4.320 0.001 0.000 0.204 636 K C 1.970 178.541 176.600 -0.049 0.000 1.050 636 K CA 0.923 57.190 56.287 -0.033 0.000 0.942 636 K CB -0.196 32.285 32.500 -0.032 0.000 0.724 636 K HN 0.315 nan 8.250 nan 0.000 0.446 637 A N 1.052 123.811 122.820 -0.102 0.000 2.019 637 A HA -0.096 4.224 4.320 0.001 0.000 0.219 637 A C 0.755 178.280 177.584 -0.098 0.000 1.164 637 A CA 1.217 53.186 52.037 -0.114 0.000 0.644 637 A CB 0.058 18.961 19.000 -0.163 0.000 0.805 637 A HN 0.200 nan 8.150 nan 0.000 0.449 638 N N -1.717 116.923 118.700 -0.100 0.000 2.824 638 N HA 0.162 4.902 4.740 0.001 0.000 0.224 638 N C -2.641 172.925 175.510 0.094 0.000 1.418 638 N CA -0.720 52.329 53.050 -0.002 0.000 0.743 638 N CB 1.421 39.855 38.487 -0.088 0.000 1.395 638 N HN 0.062 nan 8.380 nan 0.000 0.548 639 P HA 0.033 nan 4.420 nan 0.000 0.222 639 P C 0.373 177.877 177.300 0.341 0.000 1.153 639 P CA 0.754 63.978 63.100 0.206 0.000 0.798 639 P CB 0.739 32.517 31.700 0.129 0.000 0.796 640 I N -5.289 115.543 120.570 0.436 0.000 2.969 640 I HA 0.779 4.949 4.170 0.001 0.000 0.307 640 I C -0.707 175.618 176.117 0.346 0.000 1.149 640 I CA -1.941 59.564 61.300 0.341 0.000 1.008 640 I CB 1.999 40.110 38.000 0.184 0.000 1.232 640 I HN -0.268 nan 8.210 nan 0.000 0.435 641 A N 2.968 125.757 122.820 -0.051 0.000 2.366 641 A HA 0.783 5.104 4.320 0.001 0.000 0.249 641 A C -0.662 176.910 177.584 -0.021 0.000 1.084 641 A CA 0.011 51.866 52.037 -0.305 0.000 0.794 641 A CB 0.051 18.785 19.000 -0.443 0.000 1.034 641 A HN 0.829 nan 8.150 nan 0.000 0.491 642 F N -1.120 118.811 119.950 -0.032 0.000 2.685 642 F HA 0.667 5.195 4.527 0.001 0.000 0.315 642 F C -0.897 174.906 175.800 0.004 0.000 1.126 642 F CA -1.365 56.633 58.000 -0.003 0.000 0.950 642 F CB 1.387 40.402 39.000 0.025 0.000 1.360 642 F HN 0.462 nan 8.300 nan 0.000 0.469 643 V N 1.481 121.515 119.914 0.200 0.000 2.409 643 V HA 0.416 4.537 4.120 0.001 0.000 0.291 643 V C -0.588 175.660 176.094 0.256 0.000 1.020 643 V CA -0.352 62.036 62.300 0.146 0.000 0.848 643 V CB 1.528 33.389 31.823 0.062 0.000 0.990 643 V HN 0.846 nan 8.190 nan 0.000 0.430 644 E N 6.519 126.892 120.200 0.289 0.000 2.344 644 E HA 0.415 4.766 4.350 0.001 0.000 0.270 644 E C -0.801 175.889 176.600 0.152 0.000 1.021 644 E CA 0.171 56.709 56.400 0.230 0.000 0.887 644 E CB 1.204 31.047 29.700 0.237 0.000 0.997 644 E HN 0.591 nan 8.360 nan 0.000 0.429 645 I N 2.538 123.186 120.570 0.130 0.000 2.582 645 I HA 0.145 4.315 4.170 0.001 0.000 0.292 645 I C -0.212 175.963 176.117 0.097 0.000 1.066 645 I CA -1.070 60.291 61.300 0.102 0.000 1.053 645 I CB 2.024 40.075 38.000 0.085 0.000 1.241 645 I HN 0.437 nan 8.210 nan 0.000 0.421 646 N N 3.539 122.291 118.700 0.087 0.000 2.454 646 N HA -0.030 4.711 4.740 0.001 0.000 0.260 646 N C 0.973 176.522 175.510 0.066 0.000 1.218 646 N CA 0.415 53.510 53.050 0.076 0.000 0.904 646 N CB 0.876 39.408 38.487 0.075 0.000 1.065 646 N HN 0.579 nan 8.380 nan 0.000 0.462 647 E N 1.718 121.953 120.200 0.059 0.000 2.113 647 E HA -0.371 3.980 4.350 0.001 0.000 0.210 647 E C 1.199 177.825 176.600 0.042 0.000 1.040 647 E CA 2.062 58.490 56.400 0.047 0.000 0.847 647 E CB 0.003 29.724 29.700 0.035 0.000 0.755 647 E HN 0.852 nan 8.360 nan 0.000 0.459 648 E N 0.102 120.327 120.200 0.042 0.000 2.158 648 E HA -0.190 4.160 4.350 0.001 0.000 0.191 648 E C 1.319 177.941 176.600 0.037 0.000 0.982 648 E CA 1.171 57.593 56.400 0.037 0.000 0.823 648 E CB 0.064 29.786 29.700 0.036 0.000 0.766 648 E HN 0.184 nan 8.360 nan 0.000 0.468 649 D N 1.105 121.531 120.400 0.043 0.000 2.144 649 D HA -0.109 4.532 4.640 0.001 0.000 0.199 649 D C 1.897 178.219 176.300 0.036 0.000 0.984 649 D CA 1.509 55.533 54.000 0.041 0.000 0.834 649 D CB -0.242 40.587 40.800 0.049 0.000 0.955 649 D HN 0.346 nan 8.370 nan 0.000 0.465 650 A N 1.012 123.857 122.820 0.042 0.000 1.930 650 A HA 0.022 4.343 4.320 0.001 0.000 0.217 650 A C 2.305 179.909 177.584 0.033 0.000 1.175 650 A CA 1.937 53.998 52.037 0.040 0.000 0.627 650 A CB -0.603 18.428 19.000 0.053 0.000 0.815 650 A HN 0.223 nan 8.150 nan 0.000 0.443 651 A N 0.817 123.656 122.820 0.031 0.000 1.858 651 A HA -0.197 4.124 4.320 0.001 0.000 0.216 651 A C 2.219 179.815 177.584 0.020 0.000 1.190 651 A CA 1.865 53.917 52.037 0.025 0.000 0.617 651 A CB -0.560 18.454 19.000 0.024 0.000 0.827 651 A HN 0.672 nan 8.150 nan 0.000 0.443 652 R N -1.435 119.077 120.500 0.020 0.000 2.285 652 R HA -0.028 4.313 4.340 0.001 0.000 0.213 652 R C 1.329 177.636 176.300 0.012 0.000 1.068 652 R CA 1.814 57.923 56.100 0.015 0.000 1.004 652 R CB -0.447 29.862 30.300 0.016 0.000 0.873 652 R HN 0.327 nan 8.270 nan 0.000 0.467 653 T N -1.430 113.133 114.554 0.014 0.000 2.975 653 T HA 0.240 4.591 4.350 0.001 0.000 0.257 653 T C 0.728 175.434 174.700 0.010 0.000 1.003 653 T CA 0.564 62.670 62.100 0.010 0.000 0.932 653 T CB 0.395 69.270 68.868 0.011 0.000 1.087 653 T HN 0.575 nan 8.240 nan 0.000 0.512 654 G N 1.813 110.621 108.800 0.014 0.000 2.149 654 G HA2 -0.176 3.785 3.960 0.001 0.000 0.235 654 G HA3 -0.176 3.785 3.960 0.001 0.000 0.235 654 G C -0.067 174.843 174.900 0.017 0.000 1.018 654 G CA 0.045 45.153 45.100 0.014 0.000 0.728 654 G HN 0.574 nan 8.290 nan 0.000 0.508 655 I N 0.029 120.612 120.570 0.023 0.000 2.354 655 I HA 0.463 4.634 4.170 0.001 0.000 0.292 655 I C 0.149 176.290 176.117 0.039 0.000 0.989 655 I CA -0.905 60.411 61.300 0.026 0.000 1.188 655 I CB 1.655 39.671 38.000 0.026 0.000 1.342 655 I HN -0.096 nan 8.210 nan 0.000 0.457 656 K N 4.241 124.665 120.400 0.039 0.000 2.123 656 K HA 0.311 4.632 4.320 0.001 0.000 0.259 656 K C -0.075 176.572 176.600 0.079 0.000 0.960 656 K CA -0.660 55.663 56.287 0.062 0.000 0.872 656 K CB 0.641 33.172 32.500 0.050 0.000 1.079 656 K HN 0.389 nan 8.250 nan 0.000 0.440 657 H N 1.213 120.291 119.070 0.014 0.000 3.167 657 H HA -0.087 4.470 4.556 0.001 0.000 0.306 657 H C 0.933 176.268 175.328 0.011 0.000 0.965 657 H CA 2.485 58.541 56.048 0.012 0.000 1.408 657 H CB 0.285 30.049 29.762 0.003 0.000 1.406 657 H HN 0.865 nan 8.280 nan 0.000 0.576 658 G N 4.450 113.034 108.800 -0.359 0.000 2.234 658 G HA2 -0.253 3.708 3.960 0.001 0.000 0.235 658 G HA3 -0.253 3.708 3.960 0.001 0.000 0.235 658 G C 0.073 174.919 174.900 -0.088 0.000 0.997 658 G CA 0.184 45.157 45.100 -0.211 0.000 0.623 658 G HN 0.658 nan 8.290 nan 0.000 0.514 659 D N 1.052 121.421 120.400 -0.052 0.000 2.472 659 D HA 0.421 5.062 4.640 0.001 0.000 0.237 659 D C 0.608 176.897 176.300 -0.018 0.000 1.141 659 D CA 0.742 54.730 54.000 -0.020 0.000 0.875 659 D CB 1.263 42.061 40.800 -0.004 0.000 1.192 659 D HN 0.176 nan 8.370 nan 0.000 0.450 660 S N 0.814 116.509 115.700 -0.009 0.000 2.505 660 S HA 0.416 4.886 4.470 0.001 0.000 0.276 660 S C -0.269 174.331 174.600 -0.001 0.000 1.274 660 S CA -0.723 57.475 58.200 -0.003 0.000 1.053 660 S CB 0.024 63.223 63.200 -0.002 0.000 0.919 660 S HN 0.284 nan 8.310 nan 0.000 0.490 661 V N 3.594 123.509 119.914 0.002 0.000 3.074 661 V HA 0.701 4.822 4.120 0.001 0.000 0.314 661 V C -0.645 175.449 176.094 -0.002 0.000 1.117 661 V CA -1.112 61.189 62.300 0.002 0.000 1.014 661 V CB 1.657 33.484 31.823 0.007 0.000 1.057 661 V HN 0.753 nan 8.190 nan 0.000 0.438 662 I N 2.326 122.893 120.570 -0.004 0.000 2.321 662 I HA 0.455 4.626 4.170 0.001 0.000 0.291 662 I C -0.401 175.711 176.117 -0.008 0.000 0.998 662 I CA -0.716 60.579 61.300 -0.008 0.000 1.227 662 I CB 1.690 39.685 38.000 -0.008 0.000 1.368 662 I HN 0.428 nan 8.210 nan 0.000 0.466 663 V N 6.306 126.211 119.914 -0.014 0.000 2.383 663 V HA 0.298 4.419 4.120 0.001 0.000 0.275 663 V C 0.015 176.094 176.094 -0.026 0.000 1.036 663 V CA -0.394 61.893 62.300 -0.022 0.000 0.889 663 V CB 1.247 33.048 31.823 -0.036 0.000 0.985 663 V HN 0.731 nan 8.190 nan 0.000 0.459 664 E N 3.342 123.542 120.200 -0.001 0.000 2.224 664 E HA 0.592 4.942 4.350 0.001 0.000 0.265 664 E C -0.358 176.279 176.600 0.061 0.000 0.878 664 E CA -0.471 55.947 56.400 0.032 0.000 0.759 664 E CB 1.894 31.637 29.700 0.071 0.000 1.164 664 E HN 0.832 nan 8.360 nan 0.000 0.414 665 T N 0.822 115.337 114.554 -0.064 0.000 2.919 665 T HA 0.381 4.731 4.350 0.001 0.000 0.282 665 T C 1.083 175.592 174.700 -0.318 0.000 1.020 665 T CA -0.652 61.292 62.100 -0.261 0.000 0.994 665 T CB 1.302 69.963 68.868 -0.344 0.000 1.180 665 T HN 0.519 nan 8.240 nan 0.000 0.566 666 R N -0.372 119.731 120.500 -0.660 0.000 2.170 666 R HA -0.053 4.288 4.340 0.001 0.000 0.242 666 R C 2.537 178.730 176.300 -0.178 0.000 1.145 666 R CA 1.586 57.445 56.100 -0.400 0.000 0.984 666 R CB -0.159 29.886 30.300 -0.424 0.000 0.869 666 R HN 0.587 nan 8.270 nan 0.000 0.455 667 R N -1.179 119.211 120.500 -0.182 0.000 2.128 667 R HA 0.113 4.453 4.340 0.001 0.000 0.211 667 R C 0.306 176.554 176.300 -0.086 0.000 1.067 667 R CA 0.528 56.555 56.100 -0.122 0.000 1.010 667 R CB 0.382 30.603 30.300 -0.131 0.000 0.922 667 R HN 0.046 nan 8.270 nan 0.000 0.457 668 D N -2.100 118.247 120.400 -0.089 0.000 2.768 668 D HA 0.553 5.194 4.640 0.001 0.000 0.327 668 D C -1.803 174.469 176.300 -0.046 0.000 1.302 668 D CA -0.452 53.514 54.000 -0.056 0.000 0.897 668 D CB 1.897 42.663 40.800 -0.056 0.000 1.420 668 D HN 0.022 nan 8.370 nan 0.000 0.494 669 A N 0.512 123.313 122.820 -0.032 0.000 2.486 669 A HA 0.777 5.098 4.320 0.001 0.000 0.300 669 A C -1.379 176.188 177.584 -0.027 0.000 1.048 669 A CA -0.528 51.494 52.037 -0.024 0.000 0.696 669 A CB 1.676 20.672 19.000 -0.007 0.000 1.278 669 A HN 0.446 nan 8.150 nan 0.000 0.405 670 M N 1.598 121.180 119.600 -0.030 0.000 2.322 670 M HA 0.362 4.842 4.480 0.001 0.000 0.286 670 M C -1.032 175.253 176.300 -0.025 0.000 1.111 670 M CA -0.188 55.093 55.300 -0.030 0.000 0.941 670 M CB 1.924 34.499 32.600 -0.042 0.000 1.671 670 M HN 0.891 nan 8.290 nan 0.000 0.470 671 E N 4.421 124.609 120.200 -0.020 0.000 2.259 671 E HA 0.550 4.901 4.350 0.001 0.000 0.281 671 E C -1.840 174.751 176.600 -0.014 0.000 1.037 671 E CA -0.117 56.275 56.400 -0.014 0.000 0.854 671 E CB 0.801 30.496 29.700 -0.009 0.000 1.051 671 E HN 0.626 nan 8.360 nan 0.000 0.409 672 L N 6.185 127.404 121.223 -0.006 0.000 2.434 672 L HA 0.484 4.825 4.340 0.001 0.000 0.260 672 L C -2.364 174.520 176.870 0.023 0.000 0.983 672 L CA -2.394 52.448 54.840 0.004 0.000 0.820 672 L CB 2.470 44.524 42.059 -0.008 0.000 1.361 672 L HN 0.555 nan 8.230 nan 0.000 0.410 673 P HA 0.186 nan 4.420 nan 0.000 0.275 673 P C -1.039 176.285 177.300 0.040 0.000 1.227 673 P CA -0.305 62.812 63.100 0.027 0.000 0.781 673 P CB 1.356 33.075 31.700 0.031 0.000 0.906 674 A N 4.683 127.492 122.820 -0.017 0.000 2.301 674 A HA 0.399 4.720 4.320 0.001 0.000 0.298 674 A C 0.253 177.762 177.584 -0.126 0.000 1.185 674 A CA -0.671 51.359 52.037 -0.011 0.000 0.830 674 A CB 0.202 19.202 19.000 -0.001 0.000 1.112 674 A HN 0.445 nan 8.150 nan 0.000 0.508 675 R N 2.026 122.521 120.500 -0.009 0.000 2.215 675 R HA 0.429 4.770 4.340 0.001 0.000 0.337 675 R C -1.261 175.156 176.300 0.194 0.000 1.010 675 R CA -0.398 55.712 56.100 0.017 0.000 0.871 675 R CB 1.436 31.759 30.300 0.037 0.000 1.134 675 R HN 0.465 nan 8.270 nan 0.000 0.477 676 V N 3.362 123.509 119.914 0.389 0.000 2.364 676 V HA 0.348 4.469 4.120 0.001 0.000 0.272 676 V C 0.263 176.456 176.094 0.164 0.000 1.036 676 V CA -0.073 62.368 62.300 0.234 0.000 0.880 676 V CB 0.921 32.857 31.823 0.189 0.000 0.991 676 V HN 1.015 nan 8.190 nan 0.000 0.460 677 S N 2.716 118.473 115.700 0.095 0.000 2.873 677 S HA 0.387 4.858 4.470 0.001 0.000 0.303 677 S C -0.165 174.461 174.600 0.043 0.000 1.222 677 S CA -0.001 58.223 58.200 0.039 0.000 0.923 677 S CB 1.736 64.952 63.200 0.027 0.000 1.286 677 S HN 0.622 nan 8.310 nan 0.000 0.571 678 D N 0.237 120.655 120.400 0.029 0.000 2.402 678 D HA 0.198 4.838 4.640 0.001 0.000 0.216 678 D C 1.544 177.871 176.300 0.045 0.000 1.128 678 D CA -0.110 53.913 54.000 0.039 0.000 0.833 678 D CB -0.277 40.541 40.800 0.030 0.000 0.971 678 D HN 0.247 nan 8.370 nan 0.000 0.503 679 V N 0.498 120.437 119.914 0.042 0.000 2.252 679 V HA -0.219 3.902 4.120 0.001 0.000 0.249 679 V C 1.387 177.524 176.094 0.072 0.000 1.056 679 V CA 1.026 63.352 62.300 0.044 0.000 1.022 679 V CB -0.490 31.364 31.823 0.051 0.000 0.641 679 V HN 0.396 nan 8.190 nan 0.000 0.445 680 C N 1.580 120.933 119.300 0.087 0.000 2.435 680 C HA 0.460 4.921 4.460 0.001 0.000 0.375 680 C C 1.114 176.159 174.990 0.091 0.000 1.281 680 C CA -1.109 57.968 59.018 0.098 0.000 1.963 680 C CB -0.183 27.623 27.740 0.110 0.000 2.490 680 C HN 0.619 nan 8.230 nan 0.000 0.557 681 R N 3.782 124.336 120.500 0.090 0.000 2.784 681 R HA 0.257 4.598 4.340 0.001 0.000 0.266 681 R C -2.745 173.607 176.300 0.087 0.000 1.044 681 R CA -0.628 55.518 56.100 0.078 0.000 1.151 681 R CB -0.547 29.788 30.300 0.057 0.000 1.037 681 R HN 0.350 nan 8.270 nan 0.000 0.478 682 P HA -0.002 nan 4.420 nan 0.000 0.264 682 P C 0.376 177.744 177.300 0.113 0.000 1.183 682 P CA 1.506 64.656 63.100 0.084 0.000 0.763 682 P CB 0.681 32.422 31.700 0.069 0.000 0.807 683 G N 1.082 109.952 108.800 0.116 0.000 2.176 683 G HA2 -0.228 3.733 3.960 0.001 0.000 0.253 683 G HA3 -0.228 3.733 3.960 0.001 0.000 0.253 683 G C -0.392 174.638 174.900 0.217 0.000 0.979 683 G CA -0.011 45.180 45.100 0.150 0.000 0.641 683 G HN 0.595 nan 8.290 nan 0.000 0.530 684 L N 1.441 122.775 121.223 0.185 0.000 2.365 684 L HA 0.888 5.229 4.340 0.001 0.000 0.273 684 L C 0.075 177.032 176.870 0.146 0.000 1.000 684 L CA -1.449 53.511 54.840 0.199 0.000 0.819 684 L CB 1.462 43.622 42.059 0.168 0.000 1.284 684 L HN 0.472 nan 8.230 nan 0.000 0.418 685 I N 1.793 122.448 120.570 0.142 0.000 2.957 685 I HA 1.026 5.197 4.170 0.001 0.000 0.310 685 I C -0.795 175.402 176.117 0.134 0.000 1.063 685 I CA -0.867 60.504 61.300 0.119 0.000 1.033 685 I CB 2.204 40.255 38.000 0.083 0.000 1.230 685 I HN 0.763 nan 8.210 nan 0.000 0.447 686 A N 3.513 126.413 122.820 0.132 0.000 2.459 686 A HA 0.742 5.063 4.320 0.001 0.000 0.296 686 A C -0.923 176.719 177.584 0.096 0.000 1.039 686 A CA -0.511 51.613 52.037 0.145 0.000 0.698 686 A CB 1.618 20.711 19.000 0.155 0.000 1.261 686 A HN 1.277 nan 8.150 nan 0.000 0.405 687 V N 0.072 120.033 119.914 0.078 0.000 2.769 687 V HA 0.943 5.064 4.120 0.001 0.000 0.312 687 V C -2.894 173.135 176.094 -0.108 0.000 1.061 687 V CA -2.343 59.906 62.300 -0.085 0.000 0.931 687 V CB 1.949 33.757 31.823 -0.025 0.000 1.010 687 V HN 0.725 nan 8.190 nan 0.000 0.433 688 P HA 0.464 nan 4.420 nan 0.000 0.280 688 P C -0.490 176.678 177.300 -0.220 0.000 1.272 688 P CA -0.494 62.464 63.100 -0.237 0.000 0.819 688 P CB 1.203 32.703 31.700 -0.333 0.000 1.122 689 F N -1.836 117.968 119.950 -0.244 0.000 2.764 689 F HA 0.364 4.891 4.527 0.001 0.000 0.310 689 F C 1.158 176.925 175.800 -0.055 0.000 1.124 689 F CA -0.801 57.084 58.000 -0.191 0.000 1.252 689 F CB -1.023 37.890 39.000 -0.146 0.000 1.010 689 F HN 0.030 nan 8.300 nan 0.000 0.518 690 F N -0.849 118.909 119.950 -0.320 0.000 2.456 690 F HA 0.181 4.708 4.527 0.001 0.000 0.298 690 F C 0.583 176.348 175.800 -0.058 0.000 1.104 690 F CA -0.201 57.624 58.000 -0.290 0.000 1.435 690 F CB -0.483 38.263 39.000 -0.424 0.000 1.078 690 F HN -0.061 nan 8.300 nan 0.000 0.546 691 D N 3.194 123.386 120.400 -0.346 0.000 2.316 691 D HA 0.156 4.797 4.640 0.001 0.000 0.245 691 D C -1.596 174.669 176.300 -0.058 0.000 1.171 691 D CA -2.797 51.113 54.000 -0.150 0.000 0.856 691 D CB 1.530 42.111 40.800 -0.365 0.000 1.090 691 D HN -0.020 nan 8.370 nan 0.000 0.476 692 P HA -0.031 nan 4.420 nan 0.000 0.233 692 P C 0.606 177.859 177.300 -0.078 0.000 1.167 692 P CA 0.565 63.635 63.100 -0.050 0.000 0.770 692 P CB 0.508 32.270 31.700 0.103 0.000 0.837 693 K N -0.479 119.891 120.400 -0.049 0.000 2.426 693 K HA 0.087 4.408 4.320 0.001 0.000 0.193 693 K C 0.458 177.020 176.600 -0.063 0.000 1.028 693 K CA 0.530 56.792 56.287 -0.041 0.000 1.047 693 K CB 0.280 32.772 32.500 -0.013 0.000 0.821 693 K HN -0.108 nan 8.250 nan 0.000 0.513 694 K N 1.361 121.697 120.400 -0.105 0.000 2.895 694 K HA 0.209 4.530 4.320 0.001 0.000 0.191 694 K C -1.101 175.415 176.600 -0.139 0.000 1.117 694 K CA -0.141 56.078 56.287 -0.112 0.000 0.988 694 K CB 0.972 33.390 32.500 -0.136 0.000 1.181 694 K HN 0.021 nan 8.250 nan 0.000 0.598 695 L N 2.882 124.032 121.223 -0.122 0.000 2.448 695 L HA 0.027 4.368 4.340 0.001 0.000 0.278 695 L C 1.925 178.761 176.870 -0.056 0.000 1.201 695 L CA -0.351 54.403 54.840 -0.143 0.000 1.036 695 L CB -0.044 41.944 42.059 -0.118 0.000 1.325 695 L HN 0.204 nan 8.230 nan 0.000 0.441 696 V N -0.651 119.253 119.914 -0.016 0.000 2.594 696 V HA -0.196 3.925 4.120 0.001 0.000 0.253 696 V C 1.812 178.035 176.094 0.215 0.000 1.069 696 V CA 1.407 63.762 62.300 0.092 0.000 1.082 696 V CB -0.532 31.381 31.823 0.150 0.000 0.680 696 V HN 0.761 nan 8.190 nan 0.000 0.469 697 N N 0.991 119.768 118.700 0.127 0.000 2.609 697 N HA -0.067 4.674 4.740 0.001 0.000 0.190 697 N C 1.581 177.121 175.510 0.050 0.000 1.157 697 N CA 1.019 54.151 53.050 0.136 0.000 0.918 697 N CB -0.211 38.290 38.487 0.023 0.000 0.978 697 N HN 0.645 nan 8.380 nan 0.000 0.448 698 K N 0.228 120.626 120.400 -0.002 0.000 2.217 698 K HA 0.038 4.358 4.320 0.001 0.000 0.202 698 K C 1.779 178.345 176.600 -0.055 0.000 1.051 698 K CA 0.576 56.829 56.287 -0.056 0.000 0.952 698 K CB 0.151 32.621 32.500 -0.050 0.000 0.736 698 K HN 0.157 nan 8.250 nan 0.000 0.453 699 L N -0.394 120.803 121.223 -0.043 0.000 2.209 699 L HA 0.052 4.393 4.340 0.001 0.000 0.207 699 L C 0.600 177.314 176.870 -0.260 0.000 1.094 699 L CA 0.188 54.916 54.840 -0.186 0.000 0.790 699 L CB -0.066 41.813 42.059 -0.300 0.000 0.932 699 L HN -0.030 nan 8.230 nan 0.000 0.447 700 F N 0.049 119.944 119.950 -0.093 0.000 2.382 700 F HA 0.267 4.795 4.527 0.001 0.000 0.331 700 F C 0.363 176.078 175.800 -0.141 0.000 1.121 700 F CA -0.666 57.274 58.000 -0.100 0.000 1.183 700 F CB 0.745 39.709 39.000 -0.060 0.000 1.207 700 F HN -0.220 nan 8.300 nan 0.000 0.555 701 L N 2.341 123.585 121.223 0.035 0.000 2.421 701 L HA 0.298 4.639 4.340 0.001 0.000 0.263 701 L C 0.370 177.177 176.870 -0.105 0.000 1.122 701 L CA -0.249 54.555 54.840 -0.060 0.000 0.804 701 L CB 0.808 42.820 42.059 -0.077 0.000 1.150 701 L HN 0.664 nan 8.230 nan 0.000 0.457 702 D N 1.897 122.219 120.400 -0.130 0.000 2.559 702 D HA 0.228 4.869 4.640 0.001 0.000 0.234 702 D C 0.148 176.358 176.300 -0.150 0.000 1.226 702 D CA -0.178 53.713 54.000 -0.181 0.000 0.830 702 D CB -0.088 40.613 40.800 -0.164 0.000 1.028 702 D HN 0.572 nan 8.370 nan 0.000 0.492 703 A N 0.879 123.623 122.820 -0.126 0.000 2.498 703 A HA 0.485 4.806 4.320 0.001 0.000 0.239 703 A C 0.704 178.211 177.584 -0.129 0.000 1.068 703 A CA 0.180 52.154 52.037 -0.105 0.000 0.766 703 A CB 0.028 18.976 19.000 -0.085 0.000 1.003 703 A HN 0.393 nan 8.150 nan 0.000 0.497 704 T N -0.146 114.338 114.554 -0.115 0.000 2.876 704 T HA 0.440 4.791 4.350 0.001 0.000 0.289 704 T C -0.517 174.096 174.700 -0.144 0.000 1.014 704 T CA -0.750 61.269 62.100 -0.134 0.000 0.986 704 T CB 1.415 70.204 68.868 -0.133 0.000 1.021 704 T HN 0.652 nan 8.240 nan 0.000 0.458 705 D N 3.366 123.673 120.400 -0.156 0.000 2.531 705 D HA 0.036 4.677 4.640 0.001 0.000 0.239 705 D C -1.171 175.009 176.300 -0.200 0.000 1.144 705 D CA -1.329 52.559 54.000 -0.187 0.000 0.869 705 D CB 1.314 42.010 40.800 -0.173 0.000 1.160 705 D HN 0.290 nan 8.370 nan 0.000 0.484 706 P HA -0.073 nan 4.420 nan 0.000 0.234 706 P C 1.270 178.464 177.300 -0.178 0.000 1.167 706 P CA 0.255 63.250 63.100 -0.176 0.000 0.763 706 P CB 0.536 32.148 31.700 -0.147 0.000 0.835 707 V N 0.645 120.441 119.914 -0.197 0.000 2.484 707 V HA -0.086 4.035 4.120 0.001 0.000 0.236 707 V C 2.709 178.702 176.094 -0.168 0.000 1.062 707 V CA 2.128 64.330 62.300 -0.163 0.000 1.081 707 V CB -1.225 30.511 31.823 -0.146 0.000 0.751 707 V HN 0.215 nan 8.190 nan 0.000 0.484 708 S N -0.643 114.971 115.700 -0.144 0.000 2.461 708 S HA -0.111 4.360 4.470 0.001 0.000 0.228 708 S C 1.215 175.727 174.600 -0.146 0.000 1.005 708 S CA 0.275 58.413 58.200 -0.103 0.000 0.942 708 S CB -0.105 63.073 63.200 -0.037 0.000 0.776 708 S HN 0.438 nan 8.310 nan 0.000 0.514 709 R N 0.754 121.125 120.500 -0.215 0.000 3.878 709 R HA -0.123 4.217 4.340 0.001 0.000 0.330 709 R C -0.298 175.909 176.300 -0.154 0.000 1.186 709 R CA 1.055 56.973 56.100 -0.303 0.000 0.885 709 R CB -2.607 27.293 30.300 -0.668 0.000 1.377 709 R HN 0.871 nan 8.270 nan 0.000 0.523 710 E N 1.649 121.794 120.200 -0.092 0.000 2.289 710 E HA 0.294 4.645 4.350 0.001 0.000 0.278 710 E C -2.198 174.343 176.600 -0.099 0.000 1.032 710 E CA -1.991 54.383 56.400 -0.043 0.000 0.854 710 E CB 0.988 30.691 29.700 0.005 0.000 1.046 710 E HN -0.067 nan 8.360 nan 0.000 0.409 711 P HA 0.087 nan 4.420 nan 0.000 0.276 711 P C -1.111 176.026 177.300 -0.273 0.000 1.244 711 P CA -0.213 62.705 63.100 -0.304 0.000 0.801 711 P CB 0.564 31.901 31.700 -0.605 0.000 1.006 712 E N 0.730 120.786 120.200 -0.241 0.000 2.028 712 E HA 0.078 4.429 4.350 0.001 0.000 0.275 712 E C -0.098 176.432 176.600 -0.116 0.000 1.171 712 E CA -0.057 56.271 56.400 -0.121 0.000 1.186 712 E CB -0.673 28.988 29.700 -0.065 0.000 1.256 712 E HN 0.397 nan 8.360 nan 0.000 0.474 713 Y N 1.149 121.360 120.300 -0.149 0.000 2.439 713 Y HA -0.082 4.469 4.550 0.001 0.000 0.292 713 Y C 1.902 177.639 175.900 -0.271 0.000 1.130 713 Y CA 0.402 58.301 58.100 -0.335 0.000 1.254 713 Y CB 0.347 38.517 38.460 -0.482 0.000 1.000 713 Y HN 0.230 nan 8.280 nan 0.000 0.554 714 K N 0.292 120.733 120.400 0.068 0.000 2.365 714 K HA 0.170 4.491 4.320 0.001 0.000 0.197 714 K C -0.048 176.660 176.600 0.180 0.000 1.042 714 K CA 0.726 57.067 56.287 0.091 0.000 0.987 714 K CB 0.268 32.807 32.500 0.066 0.000 0.779 714 K HN 0.285 nan 8.250 nan 0.000 0.484 715 I N 0.626 121.319 120.570 0.205 0.000 2.548 715 I HA 0.179 4.350 4.170 0.001 0.000 0.287 715 I C -0.140 176.108 176.117 0.218 0.000 1.103 715 I CA -0.938 60.500 61.300 0.230 0.000 1.049 715 I CB 1.860 39.963 38.000 0.172 0.000 1.232 715 I HN -0.023 nan 8.210 nan 0.000 0.429 716 C N 3.083 122.489 119.300 0.178 0.000 3.311 716 C HA 0.996 5.457 4.460 0.001 0.000 0.366 716 C C -0.497 174.468 174.990 -0.040 0.000 1.694 716 C CA -0.734 58.296 59.018 0.020 0.000 1.244 716 C CB 1.379 29.064 27.740 -0.091 0.000 2.038 716 C HN 0.870 nan 8.230 nan 0.000 0.436 717 A N 0.485 123.219 122.820 -0.142 0.000 2.318 717 A HA 0.935 5.255 4.320 0.001 0.000 0.324 717 A C -0.147 177.348 177.584 -0.148 0.000 1.170 717 A CA 0.372 52.321 52.037 -0.147 0.000 0.810 717 A CB 0.584 19.500 19.000 -0.140 0.000 1.198 717 A HN 2.387 nan 8.150 nan 0.000 0.484 718 A N 2.590 125.390 122.820 -0.032 0.000 2.479 718 A HA 0.942 5.263 4.320 0.001 0.000 0.296 718 A C -0.233 177.431 177.584 0.132 0.000 1.121 718 A CA -0.858 51.201 52.037 0.037 0.000 0.743 718 A CB 1.312 20.281 19.000 -0.051 0.000 1.323 718 A HN 1.147 nan 8.150 nan 0.000 0.415 719 R N -0.359 120.223 120.500 0.136 0.000 2.888 719 R HA 0.863 5.204 4.340 0.001 0.000 0.266 719 R C -1.805 174.504 176.300 0.014 0.000 1.020 719 R CA -0.738 55.382 56.100 0.034 0.000 0.963 719 R CB 1.662 31.933 30.300 -0.049 0.000 1.197 719 R HN 0.382 nan 8.270 nan 0.000 0.481 720 V N 1.407 121.319 119.914 -0.002 0.000 2.709 720 V HA 0.585 4.706 4.120 0.001 0.000 0.308 720 V C -0.520 175.569 176.094 -0.009 0.000 1.062 720 V CA -0.849 61.451 62.300 -0.000 0.000 0.901 720 V CB 1.804 33.633 31.823 0.010 0.000 1.003 720 V HN 0.906 nan 8.190 nan 0.000 0.425 721 R N 2.563 123.058 120.500 -0.009 0.000 2.808 721 R HA 0.642 4.983 4.340 0.001 0.000 0.272 721 R C -0.873 175.424 176.300 -0.005 0.000 0.995 721 R CA -1.042 55.052 56.100 -0.011 0.000 0.917 721 R CB 2.126 32.415 30.300 -0.019 0.000 1.217 721 R HN 0.504 nan 8.270 nan 0.000 0.471 722 K N 1.434 121.832 120.400 -0.004 0.000 2.412 722 K HA 0.235 4.556 4.320 0.001 0.000 0.281 722 K C -0.025 176.572 176.600 -0.004 0.000 1.027 722 K CA 0.149 56.434 56.287 -0.002 0.000 0.989 722 K CB 0.914 33.414 32.500 -0.000 0.000 0.935 722 K HN 0.669 nan 8.250 nan 0.000 0.475 723 A N 0.000 122.818 122.820 -0.003 0.000 2.254 723 A HA 0.000 4.321 4.320 0.001 0.000 0.244 723 A CA 0.000 52.034 52.037 -0.004 0.000 0.836 723 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 723 A HN 0.000 nan 8.150 nan 0.000 0.486