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 1nto_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRAVRLVEIG KPLSLQEIGV PKPKGPQVLI KVEAAGVCHS DVHMRQGRFG DATA SEQUENCE NLRIVEDLGV KLPVTLGHEI AGKIEEVGDE VVGYSKGDLV AVNPWQGEGN DATA SEQUENCE CYYCRIGEEH LCDSPRWLGI NFDGAYAEYV IVPHYKYMYK LRRLNAVEAA DATA SEQUENCE PLTCSGITTY RAVRKASLDP TKTLLVVGAG GGLGTMAVQI AKAVSGATII DATA SEQUENCE GVDVREEAVE AAKRAGADYV INASMQDPLA EIRRITESKG VDAVIDLNYS DATA SEQUENCE EKTLSVYPKA LAKQGKYVMV GLFGADLHYH APLITLSEIQ FVGSLVGNQS DATA SEQUENCE DFLGIMRLAE AGKVKPMITK TMKLEEANEA IDNLENFKAI GRQVLIP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.350 176.300 0.084 0.000 1.140 1 M CA 0.000 55.377 55.300 0.128 0.000 0.988 1 M CB 0.000 32.743 32.600 0.238 0.000 1.302 2 R N 1.034 121.577 120.500 0.071 0.000 2.441 2 R HA 0.850 5.187 4.340 -0.006 0.000 0.284 2 R C -0.746 175.584 176.300 0.050 0.000 1.070 2 R CA -0.307 55.819 56.100 0.043 0.000 1.047 2 R CB 1.561 31.872 30.300 0.019 0.000 1.016 2 R HN 0.821 nan 8.270 nan 0.000 0.477 3 A N 2.147 124.996 122.820 0.048 0.000 2.485 3 A HA 0.298 4.615 4.320 -0.006 0.000 0.285 3 A C -0.877 176.749 177.584 0.069 0.000 1.045 3 A CA -0.725 51.352 52.037 0.067 0.000 0.792 3 A CB 1.349 20.392 19.000 0.071 0.000 1.307 3 A HN 0.401 nan 8.150 nan 0.000 0.406 4 V N 3.639 123.609 119.914 0.094 0.000 2.455 4 V HA 0.469 4.585 4.120 -0.006 0.000 0.273 4 V C 0.387 176.581 176.094 0.166 0.000 1.045 4 V CA 0.086 62.448 62.300 0.103 0.000 0.976 4 V CB 0.420 32.277 31.823 0.057 0.000 0.993 4 V HN 0.871 nan 8.190 nan 0.000 0.475 5 R N 3.896 124.462 120.500 0.109 0.000 2.744 5 R HA 0.550 4.886 4.340 -0.006 0.000 0.279 5 R C -1.240 175.105 176.300 0.074 0.000 0.977 5 R CA -1.149 55.005 56.100 0.090 0.000 0.906 5 R CB 2.187 32.520 30.300 0.056 0.000 1.197 5 R HN 0.505 nan 8.270 nan 0.000 0.463 6 L N 3.326 124.588 121.223 0.064 0.000 2.356 6 L HA 0.142 4.479 4.340 -0.006 0.000 0.282 6 L C 0.206 177.096 176.870 0.034 0.000 1.132 6 L CA 0.361 55.233 54.840 0.053 0.000 0.923 6 L CB 0.919 43.010 42.059 0.053 0.000 1.278 6 L HN 0.616 nan 8.230 nan 0.000 0.436 7 V N 2.991 122.923 119.914 0.030 0.000 3.174 7 V HA 0.190 4.307 4.120 -0.006 0.000 0.254 7 V C 0.765 176.869 176.094 0.017 0.000 1.120 7 V CA 0.444 62.755 62.300 0.020 0.000 1.114 7 V CB -0.453 31.381 31.823 0.018 0.000 0.756 7 V HN 0.790 nan 8.190 nan 0.000 0.467 8 E N -0.066 120.147 120.200 0.022 0.000 2.304 8 E HA 0.388 4.735 4.350 -0.006 0.000 0.277 8 E C -1.014 175.601 176.600 0.025 0.000 0.898 8 E CA -0.674 55.738 56.400 0.020 0.000 0.764 8 E CB 2.063 31.773 29.700 0.017 0.000 1.216 8 E HN 0.243 nan 8.360 nan 0.000 0.419 9 I N 3.036 123.621 120.570 0.025 0.000 2.948 9 I HA 0.041 4.208 4.170 -0.006 0.000 0.290 9 I C 1.648 177.781 176.117 0.027 0.000 1.226 9 I CA 1.585 62.903 61.300 0.030 0.000 1.413 9 I CB 0.276 38.293 38.000 0.030 0.000 1.352 9 I HN 1.037 nan 8.210 nan 0.000 0.597 10 G N 2.479 111.296 108.800 0.029 0.000 3.639 10 G HA2 -0.400 3.556 3.960 -0.006 0.000 0.224 10 G HA3 -0.400 3.556 3.960 -0.006 0.000 0.224 10 G C 0.709 175.622 174.900 0.022 0.000 1.339 10 G CA 0.546 45.661 45.100 0.025 0.000 0.933 10 G HN 0.930 nan 8.290 nan 0.000 0.568 11 K N 3.848 124.261 120.400 0.021 0.000 2.489 11 K HA 0.545 4.861 4.320 -0.006 0.000 0.278 11 K C -0.893 175.720 176.600 0.023 0.000 1.000 11 K CA -0.219 56.080 56.287 0.019 0.000 1.012 11 K CB -0.826 31.685 32.500 0.018 0.000 0.903 11 K HN 0.714 nan 8.250 nan 0.000 0.485 12 P HA 0.031 nan 4.420 nan 0.000 0.269 12 P C -0.196 177.122 177.300 0.030 0.000 1.217 12 P CA -0.343 62.770 63.100 0.022 0.000 0.783 12 P CB 0.319 32.028 31.700 0.013 0.000 0.898 13 L N 0.526 121.773 121.223 0.041 0.000 2.499 13 L HA 0.096 4.432 4.340 -0.006 0.000 0.281 13 L C 1.268 178.160 176.870 0.037 0.000 1.234 13 L CA 0.477 55.350 54.840 0.056 0.000 0.839 13 L CB -0.155 41.958 42.059 0.090 0.000 1.104 13 L HN 0.444 nan 8.230 nan 0.000 0.500 14 S N 2.061 117.785 115.700 0.041 0.000 2.482 14 S HA 0.462 4.928 4.470 -0.006 0.000 0.303 14 S C -0.750 173.868 174.600 0.029 0.000 1.091 14 S CA -0.812 57.405 58.200 0.028 0.000 1.057 14 S CB 1.339 64.554 63.200 0.025 0.000 1.031 14 S HN 0.405 nan 8.310 nan 0.000 0.485 15 L N 5.544 126.777 121.223 0.017 0.000 2.295 15 L HA 0.466 4.803 4.340 -0.006 0.000 0.288 15 L C -0.088 176.793 176.870 0.018 0.000 1.079 15 L CA 0.607 55.456 54.840 0.015 0.000 0.830 15 L CB 0.262 42.322 42.059 0.002 0.000 1.200 15 L HN 0.760 nan 8.230 nan 0.000 0.438 16 Q N 2.441 122.256 119.800 0.025 0.000 2.240 16 Q HA 0.425 4.762 4.340 -0.006 0.000 0.260 16 Q C -0.810 175.205 176.000 0.025 0.000 1.018 16 Q CA -0.740 55.076 55.803 0.023 0.000 0.898 16 Q CB 1.950 30.702 28.738 0.024 0.000 1.301 16 Q HN 0.498 nan 8.270 nan 0.000 0.469 17 E N 1.960 122.174 120.200 0.022 0.000 2.683 17 E HA 0.245 4.592 4.350 -0.006 0.000 0.224 17 E C -1.114 175.500 176.600 0.024 0.000 1.046 17 E CA -0.301 56.114 56.400 0.025 0.000 0.811 17 E CB -0.228 29.484 29.700 0.020 0.000 1.296 17 E HN 0.525 nan 8.360 nan 0.000 0.421 18 I N -0.704 119.883 120.570 0.030 0.000 3.062 18 I HA 0.843 5.010 4.170 -0.006 0.000 0.318 18 I C 0.798 176.930 176.117 0.025 0.000 1.026 18 I CA -1.381 59.933 61.300 0.024 0.000 1.096 18 I CB 1.317 39.331 38.000 0.024 0.000 1.348 18 I HN 0.328 nan 8.210 nan 0.000 0.543 19 G N 1.292 110.099 108.800 0.012 0.000 2.507 19 G HA2 0.463 4.420 3.960 -0.006 0.000 0.271 19 G HA3 0.463 4.420 3.960 -0.006 0.000 0.271 19 G C -0.462 174.437 174.900 -0.002 0.000 1.189 19 G CA -0.559 44.541 45.100 0.000 0.000 0.859 19 G HN 0.499 nan 8.290 nan 0.000 0.542 20 V N 3.013 122.904 119.914 -0.037 0.000 2.427 20 V HA 0.153 4.270 4.120 -0.006 0.000 0.268 20 V C -1.501 174.550 176.094 -0.072 0.000 1.046 20 V CA -1.027 61.226 62.300 -0.078 0.000 0.970 20 V CB 0.703 32.371 31.823 -0.258 0.000 1.001 20 V HN 0.580 nan 8.190 nan 0.000 0.476 21 P HA 0.195 nan 4.420 nan 0.000 0.268 21 P C -0.549 176.728 177.300 -0.039 0.000 1.208 21 P CA -0.447 62.641 63.100 -0.021 0.000 0.777 21 P CB 0.476 32.182 31.700 0.009 0.000 0.875 22 K N 3.301 123.684 120.400 -0.028 0.000 2.234 22 K HA 0.329 4.645 4.320 -0.006 0.000 0.277 22 K C -2.357 174.236 176.600 -0.013 0.000 1.038 22 K CA -2.423 53.846 56.287 -0.031 0.000 0.888 22 K CB 0.105 32.588 32.500 -0.028 0.000 1.091 22 K HN 0.269 nan 8.250 nan 0.000 0.467 23 P HA 0.107 nan 4.420 nan 0.000 0.276 23 P C -1.374 175.924 177.300 -0.004 0.000 1.264 23 P CA -0.186 62.913 63.100 -0.002 0.000 0.769 23 P CB 0.381 32.078 31.700 -0.005 0.000 0.840 24 K N 2.109 122.513 120.400 0.006 0.000 2.316 24 K HA 0.628 4.944 4.320 -0.006 0.000 0.251 24 K C 0.518 177.124 176.600 0.010 0.000 0.934 24 K CA -0.409 55.881 56.287 0.005 0.000 0.802 24 K CB 1.614 34.120 32.500 0.011 0.000 1.171 24 K HN 0.509 nan 8.250 nan 0.000 0.426 25 G N 3.011 111.813 108.800 0.004 0.000 2.574 25 G HA2 -0.291 3.665 3.960 -0.006 0.000 0.301 25 G HA3 -0.291 3.665 3.960 -0.006 0.000 0.301 25 G C -1.648 173.248 174.900 -0.006 0.000 1.166 25 G CA 0.183 45.288 45.100 0.008 0.000 0.971 25 G HN 0.612 nan 8.290 nan 0.000 0.542 26 P HA 0.172 nan 4.420 nan 0.000 0.261 26 P C 0.467 177.760 177.300 -0.012 0.000 1.268 26 P CA 0.279 63.359 63.100 -0.032 0.000 0.833 26 P CB 0.209 31.751 31.700 -0.264 0.000 1.231 27 Q N 0.094 119.898 119.800 0.006 0.000 2.454 27 Q HA 0.346 4.683 4.340 -0.006 0.000 0.247 27 Q C -0.403 175.608 176.000 0.019 0.000 1.028 27 Q CA 0.061 55.882 55.803 0.029 0.000 0.910 27 Q CB 1.130 29.890 28.738 0.036 0.000 1.276 27 Q HN -0.082 nan 8.270 nan 0.000 0.489 28 V N 2.490 122.419 119.914 0.025 0.000 2.623 28 V HA 0.234 4.351 4.120 -0.006 0.000 0.304 28 V C -1.039 175.070 176.094 0.024 0.000 1.054 28 V CA -0.797 61.509 62.300 0.010 0.000 0.882 28 V CB 1.709 33.525 31.823 -0.012 0.000 1.002 28 V HN 0.541 nan 8.190 nan 0.000 0.424 29 L N 6.320 127.561 121.223 0.030 0.000 2.265 29 L HA 0.547 4.883 4.340 -0.006 0.000 0.288 29 L C -0.500 176.428 176.870 0.097 0.000 1.058 29 L CA 0.337 55.215 54.840 0.062 0.000 0.809 29 L CB 0.528 42.609 42.059 0.038 0.000 1.179 29 L HN 0.418 nan 8.230 nan 0.000 0.429 30 I N 4.897 125.534 120.570 0.112 0.000 2.412 30 I HA 0.292 4.459 4.170 -0.006 0.000 0.296 30 I C 0.109 176.304 176.117 0.130 0.000 0.987 30 I CA -0.605 60.752 61.300 0.094 0.000 1.180 30 I CB 1.561 39.583 38.000 0.037 0.000 1.340 30 I HN 0.620 nan 8.210 nan 0.000 0.455 31 K N 5.848 126.289 120.400 0.069 0.000 2.267 31 K HA 0.344 4.661 4.320 -0.006 0.000 0.282 31 K C -0.830 175.676 176.600 -0.157 0.000 1.078 31 K CA -0.456 55.725 56.287 -0.176 0.000 0.903 31 K CB 0.761 33.171 32.500 -0.149 0.000 1.111 31 K HN 0.380 nan 8.250 nan 0.000 0.475 32 V N 5.338 125.141 119.914 -0.186 0.000 2.458 32 V HA -0.046 4.071 4.120 -0.006 0.000 0.287 32 V C 0.788 176.823 176.094 -0.099 0.000 1.009 32 V CA 0.720 62.958 62.300 -0.103 0.000 1.091 32 V CB 0.572 32.348 31.823 -0.078 0.000 0.960 32 V HN 0.891 nan 8.190 nan 0.000 0.476 33 E N 3.409 123.574 120.200 -0.057 0.000 2.498 33 E HA 0.511 4.857 4.350 -0.006 0.000 0.203 33 E C 0.334 176.916 176.600 -0.030 0.000 1.013 33 E CA 0.348 56.721 56.400 -0.045 0.000 0.927 33 E CB 1.047 30.730 29.700 -0.028 0.000 1.012 33 E HN 0.775 nan 8.360 nan 0.000 0.482 34 A N 1.195 124.001 122.820 -0.024 0.000 2.534 34 A HA 0.596 4.912 4.320 -0.006 0.000 0.300 34 A C -1.474 176.107 177.584 -0.005 0.000 1.054 34 A CA -0.460 51.568 52.037 -0.014 0.000 0.858 34 A CB 0.989 19.986 19.000 -0.006 0.000 1.333 34 A HN 0.074 nan 8.150 nan 0.000 0.391 35 A N 1.938 124.761 122.820 0.005 0.000 2.323 35 A HA 0.753 5.069 4.320 -0.006 0.000 0.305 35 A C 0.550 178.161 177.584 0.045 0.000 1.275 35 A CA 0.135 52.197 52.037 0.042 0.000 0.804 35 A CB 0.430 19.511 19.000 0.134 0.000 1.152 35 A HN 2.122 nan 8.150 nan 0.000 0.487 36 G N 0.698 109.500 108.800 0.004 0.000 2.491 36 G HA2 0.479 4.435 3.960 -0.006 0.000 0.242 36 G HA3 0.479 4.435 3.960 -0.006 0.000 0.242 36 G C -0.399 174.515 174.900 0.023 0.000 1.266 36 G CA -0.069 45.030 45.100 -0.002 0.000 0.844 36 G HN 0.849 nan 8.290 nan 0.000 0.571 37 V N 1.239 121.180 119.914 0.045 0.000 2.540 37 V HA 0.579 4.695 4.120 -0.006 0.000 0.302 37 V C 0.426 176.564 176.094 0.073 0.000 1.035 37 V CA -0.699 61.656 62.300 0.092 0.000 0.873 37 V CB 0.837 32.713 31.823 0.088 0.000 0.992 37 V HN 1.244 nan 8.190 nan 0.000 0.428 38 C N 2.037 121.406 119.300 0.116 0.000 3.318 38 C HA 0.607 5.063 4.460 -0.006 0.000 0.329 38 C C 1.649 176.745 174.990 0.177 0.000 1.449 38 C CA -0.495 58.614 59.018 0.152 0.000 1.397 38 C CB 1.215 29.084 27.740 0.216 0.000 1.810 38 C HN 0.913 nan 8.230 nan 0.000 0.449 39 H N 1.099 120.192 119.070 0.039 0.000 2.431 39 H HA -0.077 4.476 4.556 -0.005 0.000 0.297 39 H C 2.090 177.464 175.328 0.076 0.000 1.115 39 H CA 2.677 58.721 56.048 -0.008 0.000 1.277 39 H CB 0.076 29.829 29.762 -0.015 0.000 1.372 39 H HN 0.731 nan 8.280 nan 0.000 0.516 40 S N -0.248 115.587 115.700 0.225 0.000 2.419 40 S HA -0.134 4.332 4.470 -0.006 0.000 0.233 40 S C 1.510 176.233 174.600 0.205 0.000 1.016 40 S CA 1.198 59.528 58.200 0.217 0.000 0.974 40 S CB -0.028 63.332 63.200 0.267 0.000 0.786 40 S HN 0.557 nan 8.310 nan 0.000 0.492 41 D N 1.040 121.555 120.400 0.193 0.000 2.224 41 D HA -0.009 4.628 4.640 -0.006 0.000 0.205 41 D C 1.952 178.273 176.300 0.035 0.000 0.965 41 D CA 0.528 54.620 54.000 0.153 0.000 0.852 41 D CB -0.159 40.750 40.800 0.183 0.000 0.947 41 D HN 0.242 nan 8.370 nan 0.000 0.494 42 V N 1.373 121.215 119.914 -0.121 0.000 2.270 42 V HA -0.207 3.910 4.120 -0.006 0.000 0.245 42 V C 2.096 178.038 176.094 -0.254 0.000 1.043 42 V CA 1.444 63.575 62.300 -0.281 0.000 1.014 42 V CB -0.570 30.883 31.823 -0.616 0.000 0.645 42 V HN 0.309 nan 8.190 nan 0.000 0.447 43 H N -1.462 117.548 119.070 -0.100 0.000 2.546 43 H HA 0.068 4.623 4.556 -0.003 0.000 0.277 43 H C 2.137 177.480 175.328 0.025 0.000 1.004 43 H CA 0.875 56.890 56.048 -0.054 0.000 1.231 43 H CB 0.089 29.793 29.762 -0.097 0.000 1.382 43 H HN 0.310 nan 8.280 nan 0.000 0.580 44 M N 0.078 119.767 119.600 0.148 0.000 2.216 44 M HA -0.044 4.432 4.480 -0.006 0.000 0.264 44 M C 2.237 178.606 176.300 0.114 0.000 1.080 44 M CA 0.776 56.179 55.300 0.173 0.000 1.153 44 M CB -0.613 32.108 32.600 0.200 0.000 1.356 44 M HN 0.092 nan 8.290 nan 0.000 0.432 45 R N 0.990 121.538 120.500 0.079 0.000 2.371 45 R HA -0.152 4.185 4.340 -0.006 0.000 0.226 45 R C 0.351 176.683 176.300 0.053 0.000 1.132 45 R CA 1.004 57.141 56.100 0.062 0.000 1.027 45 R CB 0.036 30.363 30.300 0.044 0.000 0.848 45 R HN 0.489 nan 8.270 nan 0.000 0.479 46 Q N -0.849 118.989 119.800 0.062 0.000 2.302 46 Q HA 0.201 4.537 4.340 -0.006 0.000 0.332 46 Q C 0.385 176.429 176.000 0.074 0.000 0.913 46 Q CA 0.185 56.025 55.803 0.061 0.000 1.098 46 Q CB 1.256 30.032 28.738 0.063 0.000 1.236 46 Q HN 0.428 nan 8.270 nan 0.000 0.436 47 G N 0.848 109.693 108.800 0.074 0.000 2.320 47 G HA2 -0.352 3.605 3.960 -0.006 0.000 0.291 47 G HA3 -0.352 3.605 3.960 -0.006 0.000 0.291 47 G C 0.197 175.152 174.900 0.092 0.000 0.994 47 G CA 0.793 45.938 45.100 0.074 0.000 0.760 47 G HN 0.269 nan 8.290 nan 0.000 0.514 48 R N -2.162 118.413 120.500 0.124 0.000 2.905 48 R HA 0.781 5.117 4.340 -0.006 0.000 0.260 48 R C -1.089 175.359 176.300 0.247 0.000 1.086 48 R CA -0.317 55.871 56.100 0.147 0.000 0.978 48 R CB 1.305 31.664 30.300 0.099 0.000 1.215 48 R HN 0.691 nan 8.270 nan 0.000 0.480 49 F N 0.103 120.091 119.950 0.063 0.000 2.971 49 F HA 0.498 5.020 4.527 -0.008 0.000 0.373 49 F C 0.742 176.573 175.800 0.052 0.000 1.288 49 F CA 0.669 58.720 58.000 0.085 0.000 1.204 49 F CB 0.772 39.846 39.000 0.123 0.000 1.852 49 F HN 0.897 nan 8.300 nan 0.000 0.624 50 G N 3.755 112.412 108.800 -0.239 0.000 2.527 50 G HA2 -0.377 3.580 3.960 -0.006 0.000 0.218 50 G HA3 -0.377 3.580 3.960 -0.006 0.000 0.218 50 G C 0.480 175.330 174.900 -0.084 0.000 1.177 50 G CA 0.719 45.688 45.100 -0.218 0.000 0.695 50 G HN 1.363 nan 8.290 nan 0.000 0.517 51 N N -1.914 116.784 118.700 -0.003 0.000 1.926 51 N HA 0.205 4.941 4.740 -0.006 0.000 0.236 51 N C 0.196 175.730 175.510 0.039 0.000 1.483 51 N CA 0.393 53.450 53.050 0.012 0.000 0.857 51 N CB -0.180 38.308 38.487 0.002 0.000 1.084 51 N HN 0.594 nan 8.380 nan 0.000 0.647 52 L N 0.764 122.031 121.223 0.074 0.000 2.657 52 L HA 0.599 4.935 4.340 -0.006 0.000 0.240 52 L C 0.380 177.293 176.870 0.073 0.000 1.151 52 L CA -0.374 54.507 54.840 0.069 0.000 0.831 52 L CB 0.285 42.392 42.059 0.080 0.000 1.539 52 L HN 0.075 nan 8.230 nan 0.000 0.511 53 R N 0.200 120.731 120.500 0.051 0.000 2.473 53 R HA 0.364 4.700 4.340 -0.006 0.000 0.303 53 R C 1.052 177.371 176.300 0.031 0.000 1.002 53 R CA -0.334 55.794 56.100 0.046 0.000 0.884 53 R CB 1.119 31.435 30.300 0.026 0.000 1.173 53 R HN 0.664 nan 8.270 nan 0.000 0.464 54 I N -0.363 120.235 120.570 0.047 0.000 2.381 54 I HA -0.263 3.904 4.170 -0.006 0.000 0.255 54 I C 1.129 177.240 176.117 -0.010 0.000 1.140 54 I CA 1.382 62.691 61.300 0.015 0.000 1.404 54 I CB -0.320 37.702 38.000 0.036 0.000 1.075 54 I HN 0.246 nan 8.210 nan 0.000 0.433 55 V N 1.292 121.205 119.914 -0.001 0.000 2.273 55 V HA -0.136 3.981 4.120 -0.006 0.000 0.242 55 V C 2.532 178.615 176.094 -0.018 0.000 1.035 55 V CA 1.985 64.277 62.300 -0.013 0.000 1.013 55 V CB -0.727 31.093 31.823 -0.004 0.000 0.652 55 V HN 0.316 nan 8.190 nan 0.000 0.452 56 E N 0.249 120.443 120.200 -0.010 0.000 2.112 56 E HA -0.103 4.243 4.350 -0.006 0.000 0.190 56 E C 1.904 178.492 176.600 -0.021 0.000 0.979 56 E CA 1.182 57.574 56.400 -0.013 0.000 0.814 56 E CB -0.208 29.489 29.700 -0.005 0.000 0.762 56 E HN 0.591 nan 8.360 nan 0.000 0.460 57 D N -0.573 119.813 120.400 -0.023 0.000 2.269 57 D HA 0.011 4.647 4.640 -0.006 0.000 0.220 57 D C 1.126 177.385 176.300 -0.069 0.000 0.962 57 D CA 0.584 54.560 54.000 -0.039 0.000 0.884 57 D CB 0.187 40.969 40.800 -0.030 0.000 1.023 57 D HN 0.096 nan 8.370 nan 0.000 0.484 58 L N 0.244 121.421 121.223 -0.077 0.000 2.611 58 L HA 0.295 4.632 4.340 -0.006 0.000 0.229 58 L C 1.165 177.990 176.870 -0.075 0.000 1.137 58 L CA 0.129 54.900 54.840 -0.114 0.000 0.901 58 L CB -0.288 41.678 42.059 -0.156 0.000 1.098 58 L HN 0.042 nan 8.230 nan 0.000 0.456 59 G N 0.345 109.111 108.800 -0.057 0.000 2.338 59 G HA2 -0.245 3.712 3.960 -0.006 0.000 0.296 59 G HA3 -0.245 3.712 3.960 -0.006 0.000 0.296 59 G C 0.139 174.998 174.900 -0.069 0.000 1.040 59 G CA 0.223 45.290 45.100 -0.054 0.000 1.004 59 G HN 0.135 nan 8.290 nan 0.000 0.509 60 V N 0.492 120.372 119.914 -0.058 0.000 2.427 60 V HA 0.352 4.468 4.120 -0.006 0.000 0.268 60 V C 0.788 176.845 176.094 -0.061 0.000 1.046 60 V CA -0.113 62.148 62.300 -0.066 0.000 0.970 60 V CB 1.492 33.294 31.823 -0.035 0.000 1.001 60 V HN 0.454 nan 8.190 nan 0.000 0.476 61 K N 6.399 126.748 120.400 -0.085 0.000 2.231 61 K HA 0.363 4.679 4.320 -0.006 0.000 0.255 61 K C -0.636 175.930 176.600 -0.058 0.000 1.108 61 K CA -0.328 55.918 56.287 -0.069 0.000 0.997 61 K CB -0.210 32.240 32.500 -0.084 0.000 1.549 61 K HN 0.406 nan 8.250 nan 0.000 0.419 62 L N 5.119 126.321 121.223 -0.036 0.000 2.499 62 L HA 0.159 4.496 4.340 -0.006 0.000 0.281 62 L C -1.597 175.260 176.870 -0.022 0.000 1.234 62 L CA -0.618 54.208 54.840 -0.022 0.000 0.839 62 L CB -0.498 41.556 42.059 -0.008 0.000 1.104 62 L HN 0.629 nan 8.230 nan 0.000 0.500 63 P HA 0.188 nan 4.420 nan 0.000 0.277 63 P C -1.131 176.160 177.300 -0.014 0.000 1.240 63 P CA -0.287 62.809 63.100 -0.006 0.000 0.798 63 P CB 1.745 33.447 31.700 0.004 0.000 0.979 64 V N 1.999 121.910 119.914 -0.004 0.000 2.531 64 V HA 0.299 4.415 4.120 -0.006 0.000 0.301 64 V C -0.401 175.697 176.094 0.007 0.000 1.034 64 V CA -0.386 61.908 62.300 -0.010 0.000 0.865 64 V CB 1.962 33.776 31.823 -0.016 0.000 0.995 64 V HN 0.610 nan 8.190 nan 0.000 0.424 65 T N 8.214 122.772 114.554 0.007 0.000 2.814 65 T HA 0.452 4.798 4.350 -0.006 0.000 0.297 65 T C 0.013 174.678 174.700 -0.059 0.000 0.956 65 T CA -0.010 62.100 62.100 0.016 0.000 1.123 65 T CB 0.732 69.622 68.868 0.037 0.000 0.902 65 T HN 0.428 nan 8.240 nan 0.000 0.528 66 L N 1.809 122.935 121.223 -0.162 0.000 2.543 66 L HA 0.686 5.023 4.340 -0.006 0.000 0.231 66 L C 1.197 177.561 176.870 -0.844 0.000 1.194 66 L CA 0.234 54.773 54.840 -0.501 0.000 0.823 66 L CB -0.062 41.586 42.059 -0.685 0.000 1.374 66 L HN 0.972 nan 8.230 nan 0.000 0.507 67 G N -0.333 107.866 108.800 -1.002 0.000 2.826 67 G HA2 -0.103 3.853 3.960 -0.006 0.000 0.623 67 G HA3 -0.103 3.853 3.960 -0.006 0.000 0.623 67 G C -0.055 174.644 174.900 -0.335 0.000 1.127 67 G CA 0.021 44.718 45.100 -0.672 0.000 1.165 67 G HN 1.049 nan 8.290 nan 0.000 0.504 68 H N -0.155 118.776 119.070 -0.230 0.000 2.542 68 H HA 0.302 4.855 4.556 -0.005 0.000 0.283 68 H C -0.047 175.125 175.328 -0.260 0.000 1.059 68 H CA 0.303 56.166 56.048 -0.307 0.000 1.162 68 H CB 1.012 30.556 29.762 -0.364 0.000 1.539 68 H HN 0.548 nan 8.280 nan 0.000 0.543 69 E N 2.159 122.156 120.200 -0.339 0.000 2.183 69 E HA 0.426 4.773 4.350 -0.006 0.000 0.250 69 E C -0.722 175.821 176.600 -0.094 0.000 0.901 69 E CA -0.346 55.961 56.400 -0.155 0.000 0.741 69 E CB 1.737 31.354 29.700 -0.138 0.000 1.182 69 E HN 0.337 nan 8.360 nan 0.000 0.425 70 I N 1.797 122.319 120.570 -0.079 0.000 2.465 70 I HA 0.706 4.873 4.170 -0.006 0.000 0.291 70 I C -0.366 175.749 176.117 -0.004 0.000 1.014 70 I CA -0.894 60.374 61.300 -0.052 0.000 1.093 70 I CB 1.937 39.884 38.000 -0.088 0.000 1.267 70 I HN 0.404 nan 8.210 nan 0.000 0.431 71 A N 4.047 126.870 122.820 0.005 0.000 2.540 71 A HA 0.948 5.265 4.320 -0.006 0.000 0.297 71 A C -0.577 177.014 177.584 0.013 0.000 1.056 71 A CA -0.228 51.826 52.037 0.029 0.000 0.700 71 A CB 1.817 20.840 19.000 0.038 0.000 1.280 71 A HN 0.978 nan 8.150 nan 0.000 0.398 72 G N 0.674 109.487 108.800 0.021 0.000 2.428 72 G HA2 0.525 4.481 3.960 -0.006 0.000 0.304 72 G HA3 0.525 4.481 3.960 -0.006 0.000 0.304 72 G C -1.679 173.234 174.900 0.022 0.000 1.303 72 G CA -0.811 44.293 45.100 0.007 0.000 0.825 72 G HN 0.654 nan 8.290 nan 0.000 0.484 73 K N -0.030 120.380 120.400 0.016 0.000 2.123 73 K HA 0.527 4.843 4.320 -0.006 0.000 0.259 73 K C -0.201 176.426 176.600 0.044 0.000 0.960 73 K CA -0.647 55.660 56.287 0.033 0.000 0.872 73 K CB 2.270 34.788 32.500 0.029 0.000 1.079 73 K HN 0.347 nan 8.250 nan 0.000 0.440 74 I N 2.559 123.159 120.570 0.050 0.000 2.533 74 I HA -0.081 4.086 4.170 -0.006 0.000 0.284 74 I C 1.435 177.593 176.117 0.069 0.000 1.109 74 I CA 0.292 61.624 61.300 0.053 0.000 1.412 74 I CB 0.755 38.782 38.000 0.045 0.000 1.396 74 I HN 0.728 nan 8.210 nan 0.000 0.543 75 E N 4.241 124.498 120.200 0.096 0.000 2.079 75 E HA 0.026 4.372 4.350 -0.006 0.000 0.191 75 E C -0.040 176.593 176.600 0.054 0.000 0.961 75 E CA 1.035 57.504 56.400 0.114 0.000 0.823 75 E CB 0.441 30.273 29.700 0.220 0.000 0.789 75 E HN 0.586 nan 8.360 nan 0.000 0.459 76 E N -0.813 119.408 120.200 0.035 0.000 2.372 76 E HA 0.401 4.748 4.350 -0.006 0.000 0.279 76 E C -1.651 174.949 176.600 0.000 0.000 0.946 76 E CA -0.736 55.669 56.400 0.007 0.000 0.769 76 E CB 1.934 31.624 29.700 -0.015 0.000 1.230 76 E HN 0.014 nan 8.360 nan 0.000 0.442 77 V N 0.812 120.719 119.914 -0.012 0.000 2.628 77 V HA 0.984 5.101 4.120 -0.006 0.000 0.306 77 V C 0.711 176.784 176.094 -0.036 0.000 1.045 77 V CA -0.241 62.043 62.300 -0.027 0.000 0.905 77 V CB 1.445 33.243 31.823 -0.042 0.000 0.997 77 V HN 0.694 nan 8.190 nan 0.000 0.436 78 G N 2.249 111.025 108.800 -0.039 0.000 2.699 78 G HA2 0.170 4.127 3.960 -0.006 0.000 0.246 78 G HA3 0.170 4.127 3.960 -0.006 0.000 0.246 78 G C 0.596 175.466 174.900 -0.051 0.000 1.219 78 G CA 0.423 45.502 45.100 -0.035 0.000 0.866 78 G HN 1.101 nan 8.290 nan 0.000 0.572 79 D N -1.260 119.119 120.400 -0.036 0.000 2.371 79 D HA -0.081 4.556 4.640 -0.006 0.000 0.221 79 D C 1.140 177.411 176.300 -0.047 0.000 0.986 79 D CA 0.795 54.773 54.000 -0.038 0.000 0.899 79 D CB 0.108 40.895 40.800 -0.021 0.000 0.902 79 D HN 0.662 nan 8.370 nan 0.000 0.530 80 E N 0.055 120.222 120.200 -0.055 0.000 2.538 80 E HA 0.151 4.498 4.350 -0.006 0.000 0.207 80 E C -0.030 176.472 176.600 -0.163 0.000 1.002 80 E CA -0.265 56.106 56.400 -0.049 0.000 0.952 80 E CB 1.531 31.242 29.700 0.019 0.000 1.031 80 E HN 0.040 nan 8.360 nan 0.000 0.476 81 V N 2.134 121.876 119.914 -0.288 0.000 2.637 81 V HA 0.068 4.185 4.120 -0.006 0.000 0.296 81 V C 0.166 175.910 176.094 -0.583 0.000 1.046 81 V CA -0.007 61.883 62.300 -0.683 0.000 1.066 81 V CB 1.230 32.819 31.823 -0.390 0.000 0.968 81 V HN -0.076 nan 8.190 nan 0.000 0.483 82 V N 3.361 122.751 119.914 -0.873 0.000 2.789 82 V HA 0.795 4.912 4.120 -0.006 0.000 0.311 82 V C 0.813 176.766 176.094 -0.235 0.000 1.073 82 V CA 0.299 62.392 62.300 -0.345 0.000 0.921 82 V CB 1.317 33.061 31.823 -0.132 0.000 1.009 82 V HN 1.090 nan 8.190 nan 0.000 0.426 83 G N 3.035 111.710 108.800 -0.209 0.000 2.159 83 G HA2 -0.258 3.698 3.960 -0.006 0.000 0.256 83 G HA3 -0.258 3.698 3.960 -0.006 0.000 0.256 83 G C -0.405 174.134 174.900 -0.603 0.000 0.977 83 G CA 0.547 45.435 45.100 -0.353 0.000 0.652 83 G HN 0.694 nan 8.290 nan 0.000 0.531 84 Y N 0.072 120.319 120.300 -0.089 0.000 2.524 84 Y HA 0.675 5.222 4.550 -0.005 0.000 0.347 84 Y C 0.361 176.222 175.900 -0.064 0.000 1.005 84 Y CA -0.556 57.511 58.100 -0.055 0.000 1.025 84 Y CB 2.387 40.828 38.460 -0.032 0.000 1.275 84 Y HN 0.182 nan 8.280 nan 0.000 0.460 85 S N 0.938 116.710 115.700 0.120 0.000 2.634 85 S HA 0.411 4.877 4.470 -0.006 0.000 0.296 85 S C -1.032 173.604 174.600 0.059 0.000 1.104 85 S CA -1.337 56.895 58.200 0.054 0.000 0.920 85 S CB 1.850 65.062 63.200 0.021 0.000 1.111 85 S HN 0.505 nan 8.310 nan 0.000 0.493 86 K N 0.242 120.663 120.400 0.036 0.000 2.527 86 K HA 0.261 4.578 4.320 -0.006 0.000 0.278 86 K C 1.274 177.898 176.600 0.040 0.000 0.981 86 K CA 1.448 57.757 56.287 0.037 0.000 1.009 86 K CB -0.165 32.350 32.500 0.025 0.000 0.895 86 K HN 0.961 nan 8.250 nan 0.000 0.493 87 G N 3.011 111.838 108.800 0.045 0.000 2.317 87 G HA2 -0.228 3.728 3.960 -0.006 0.000 0.227 87 G HA3 -0.228 3.728 3.960 -0.006 0.000 0.227 87 G C -0.359 174.570 174.900 0.049 0.000 1.042 87 G CA 0.096 45.221 45.100 0.042 0.000 0.623 87 G HN 0.724 nan 8.290 nan 0.000 0.509 88 D N 1.021 121.460 120.400 0.065 0.000 2.533 88 D HA 0.314 4.950 4.640 -0.006 0.000 0.236 88 D C 0.515 176.863 176.300 0.079 0.000 1.137 88 D CA 0.101 54.152 54.000 0.085 0.000 0.867 88 D CB 1.185 42.073 40.800 0.147 0.000 1.170 88 D HN 0.374 nan 8.370 nan 0.000 0.474 89 L N 4.349 125.616 121.223 0.074 0.000 2.281 89 L HA 0.346 4.683 4.340 -0.006 0.000 0.285 89 L C -0.505 176.423 176.870 0.097 0.000 1.074 89 L CA -0.367 54.515 54.840 0.070 0.000 0.817 89 L CB 0.997 43.090 42.059 0.057 0.000 1.168 89 L HN 0.218 nan 8.230 nan 0.000 0.434 90 V N 2.492 122.462 119.914 0.094 0.000 3.078 90 V HA 1.020 5.136 4.120 -0.006 0.000 0.311 90 V C -0.295 175.880 176.094 0.136 0.000 1.138 90 V CA -0.420 61.958 62.300 0.130 0.000 1.007 90 V CB 1.174 33.051 31.823 0.091 0.000 1.045 90 V HN 1.035 nan 8.190 nan 0.000 0.432 91 A N 1.939 124.891 122.820 0.220 0.000 2.311 91 A HA 0.952 5.269 4.320 -0.006 0.000 0.334 91 A C -0.608 177.154 177.584 0.297 0.000 1.139 91 A CA -0.778 51.403 52.037 0.240 0.000 0.830 91 A CB 1.736 20.906 19.000 0.283 0.000 1.234 91 A HN 1.488 nan 8.150 nan 0.000 0.483 92 V N 1.836 121.834 119.914 0.139 0.000 2.656 92 V HA 0.310 4.426 4.120 -0.006 0.000 0.307 92 V C -0.403 175.430 176.094 -0.434 0.000 1.051 92 V CA -0.946 61.313 62.300 -0.068 0.000 0.893 92 V CB 1.881 33.642 31.823 -0.103 0.000 0.999 92 V HN 0.916 nan 8.190 nan 0.000 0.426 93 N N 6.665 124.881 118.700 -0.807 0.000 2.408 93 N HA 0.309 5.045 4.740 -0.006 0.000 0.257 93 N C -1.537 173.540 175.510 -0.721 0.000 1.064 93 N CA -2.031 50.392 53.050 -1.045 0.000 0.952 93 N CB 1.743 39.593 38.487 -1.062 0.000 1.093 93 N HN 0.344 nan 8.380 nan 0.000 0.490 94 P HA 0.081 nan 4.420 nan 0.000 0.251 94 P C -0.490 176.189 177.300 -1.034 0.000 1.223 94 P CA 0.294 62.792 63.100 -1.003 0.000 0.796 94 P CB -0.087 30.904 31.700 -1.182 0.000 1.068 95 W N 2.014 123.021 121.300 -0.488 0.000 1.912 95 W HA 0.400 5.056 4.660 -0.006 0.000 0.399 95 W C 0.113 176.497 176.519 -0.225 0.000 0.800 95 W CA -0.746 56.279 57.345 -0.534 0.000 1.593 95 W CB -0.131 28.996 29.460 -0.555 0.000 1.769 95 W HN -0.052 nan 8.180 nan 0.000 0.281 96 Q N 1.274 120.997 119.800 -0.128 0.000 2.245 96 Q HA 0.625 4.962 4.340 -0.006 0.000 0.256 96 Q C 0.558 176.532 176.000 -0.044 0.000 0.942 96 Q CA -0.613 54.973 55.803 -0.362 0.000 0.896 96 Q CB 2.063 30.249 28.738 -0.920 0.000 1.272 96 Q HN 0.460 nan 8.270 nan 0.000 0.442 97 G N 0.634 109.463 108.800 0.048 0.000 2.509 97 G HA2 0.292 4.248 3.960 -0.006 0.000 0.328 97 G HA3 0.292 4.248 3.960 -0.006 0.000 0.328 97 G C 0.108 175.041 174.900 0.055 0.000 1.194 97 G CA -0.627 44.523 45.100 0.084 0.000 0.967 97 G HN 0.722 nan 8.290 nan 0.000 0.488 98 E N -1.102 119.124 120.200 0.044 0.000 2.442 98 E HA 0.281 4.627 4.350 -0.006 0.000 0.195 98 E C 1.591 178.221 176.600 0.049 0.000 1.030 98 E CA 0.816 57.241 56.400 0.041 0.000 0.869 98 E CB 0.247 29.970 29.700 0.038 0.000 0.857 98 E HN 1.250 nan 8.360 nan 0.000 0.505 99 G N 0.727 109.558 108.800 0.052 0.000 2.308 99 G HA2 -0.420 3.537 3.960 -0.006 0.000 0.221 99 G HA3 -0.420 3.537 3.960 -0.006 0.000 0.221 99 G C 1.277 176.191 174.900 0.024 0.000 1.032 99 G CA 0.264 45.383 45.100 0.032 0.000 0.623 99 G HN 0.370 nan 8.290 nan 0.000 0.506 100 N N 0.504 119.224 118.700 0.033 0.000 2.395 100 N HA 0.102 4.839 4.740 -0.006 0.000 0.175 100 N C 1.741 177.272 175.510 0.036 0.000 1.029 100 N CA 1.351 54.419 53.050 0.028 0.000 0.897 100 N CB -0.248 38.258 38.487 0.032 0.000 0.991 100 N HN 1.070 nan 8.380 nan 0.000 0.441 101 C N -0.854 118.481 119.300 0.060 0.000 2.639 101 C HA 0.220 4.676 4.460 -0.006 0.000 0.360 101 C C 1.959 176.988 174.990 0.065 0.000 1.351 101 C CA -1.045 58.029 59.018 0.094 0.000 2.408 101 C CB -0.644 27.188 27.740 0.153 0.000 2.517 101 C HN 0.539 nan 8.230 nan 0.000 0.696 102 Y N 0.867 121.122 120.300 -0.075 0.000 2.114 102 Y HA -0.193 4.353 4.550 -0.006 0.000 0.282 102 Y C 2.177 177.891 175.900 -0.311 0.000 1.165 102 Y CA 2.437 60.390 58.100 -0.244 0.000 1.148 102 Y CB -0.727 37.474 38.460 -0.430 0.000 0.972 102 Y HN 0.772 nan 8.280 nan 0.000 0.504 103 Y N -1.380 118.968 120.300 0.080 0.000 2.293 103 Y HA -0.221 4.325 4.550 -0.005 0.000 0.291 103 Y C 2.817 178.682 175.900 -0.059 0.000 1.137 103 Y CA 1.366 59.462 58.100 -0.007 0.000 1.202 103 Y CB -1.049 37.456 38.460 0.074 0.000 0.990 103 Y HN 0.221 nan 8.280 nan 0.000 0.537 104 C N -0.349 118.999 119.300 0.080 0.000 2.457 104 C HA -0.113 4.343 4.460 -0.006 0.000 0.278 104 C C 2.661 177.628 174.990 -0.039 0.000 1.309 104 C CA 0.652 59.700 59.018 0.050 0.000 1.735 104 C CB -0.896 26.882 27.740 0.062 0.000 1.992 104 C HN 0.487 nan 8.230 nan 0.000 0.493 105 R N 1.238 121.666 120.500 -0.120 0.000 2.115 105 R HA -0.045 4.291 4.340 -0.006 0.000 0.230 105 R C 1.765 177.948 176.300 -0.194 0.000 1.111 105 R CA 1.442 57.451 56.100 -0.153 0.000 0.976 105 R CB -0.375 29.819 30.300 -0.177 0.000 0.870 105 R HN 0.717 nan 8.270 nan 0.000 0.445 106 I N -2.822 117.565 120.570 -0.305 0.000 3.810 106 I HA 0.344 4.511 4.170 -0.006 0.000 0.322 106 I C 0.583 176.643 176.117 -0.094 0.000 1.288 106 I CA 0.401 61.549 61.300 -0.254 0.000 1.143 106 I CB 0.370 38.112 38.000 -0.430 0.000 1.012 106 I HN 0.155 nan 8.210 nan 0.000 0.423 107 G N 1.721 110.498 108.800 -0.039 0.000 2.160 107 G HA2 -0.220 3.737 3.960 -0.006 0.000 0.244 107 G HA3 -0.220 3.737 3.960 -0.006 0.000 0.244 107 G C -0.058 174.916 174.900 0.122 0.000 1.022 107 G CA 0.047 45.170 45.100 0.040 0.000 0.741 107 G HN 0.560 nan 8.290 nan 0.000 0.508 108 E N -0.300 119.992 120.200 0.153 0.000 3.312 108 E HA 0.457 4.803 4.350 -0.006 0.000 0.215 108 E C 1.347 178.105 176.600 0.263 0.000 1.160 108 E CA 0.389 56.953 56.400 0.272 0.000 1.267 108 E CB 0.054 29.907 29.700 0.255 0.000 1.361 108 E HN 0.736 nan 8.360 nan 0.000 0.433 109 E N 1.286 121.671 120.200 0.309 0.000 2.204 109 E HA -0.219 4.128 4.350 -0.006 0.000 0.195 109 E C 1.576 178.368 176.600 0.320 0.000 0.990 109 E CA 1.546 58.111 56.400 0.275 0.000 0.821 109 E CB -1.040 28.824 29.700 0.274 0.000 0.750 109 E HN 0.512 nan 8.360 nan 0.000 0.477 110 H N -0.479 118.728 119.070 0.228 0.000 2.521 110 H HA 0.115 4.668 4.556 -0.006 0.000 0.286 110 H C 1.641 177.178 175.328 0.348 0.000 1.034 110 H CA 1.042 57.274 56.048 0.306 0.000 1.278 110 H CB -0.383 29.439 29.762 0.100 0.000 1.386 110 H HN 0.408 nan 8.280 nan 0.000 0.567 111 L N 1.204 122.253 121.223 -0.290 0.000 2.685 111 L HA 0.141 4.478 4.340 -0.006 0.000 0.233 111 L C 0.778 177.542 176.870 -0.176 0.000 1.173 111 L CA -0.591 54.052 54.840 -0.328 0.000 0.961 111 L CB 0.050 41.755 42.059 -0.590 0.000 1.217 111 L HN 0.183 nan 8.230 nan 0.000 0.478 112 C N 0.799 120.118 119.300 0.031 0.000 2.597 112 C HA -0.091 4.365 4.460 -0.006 0.000 0.412 112 C C 1.886 176.869 174.990 -0.011 0.000 1.348 112 C CA -0.108 58.956 59.018 0.078 0.000 1.769 112 C CB 0.304 28.095 27.740 0.085 0.000 2.641 112 C HN 0.491 nan 8.230 nan 0.000 0.612 113 D N 1.573 122.009 120.400 0.061 0.000 2.264 113 D HA 0.007 4.644 4.640 -0.006 0.000 0.208 113 D C 0.779 177.056 176.300 -0.039 0.000 0.966 113 D CA 1.223 55.234 54.000 0.018 0.000 0.864 113 D CB 0.081 40.933 40.800 0.086 0.000 0.933 113 D HN 0.608 nan 8.370 nan 0.000 0.499 114 S N 1.264 116.942 115.700 -0.036 0.000 2.235 114 S HA 0.212 4.679 4.470 -0.006 0.000 0.152 114 S C -2.559 171.992 174.600 -0.082 0.000 1.649 114 S CA -1.021 57.148 58.200 -0.051 0.000 1.277 114 S CB 1.965 65.165 63.200 -0.000 0.000 1.299 114 S HN 0.078 nan 8.310 nan 0.000 0.388 115 P HA 0.189 nan 4.420 nan 0.000 0.269 115 P C -0.832 176.330 177.300 -0.229 0.000 1.209 115 P CA -0.296 62.633 63.100 -0.286 0.000 0.776 115 P CB 0.647 31.873 31.700 -0.790 0.000 0.876 116 R N 2.154 122.537 120.500 -0.195 0.000 2.477 116 R HA 0.255 4.591 4.340 -0.006 0.000 0.285 116 R C -0.933 175.235 176.300 -0.220 0.000 1.415 116 R CA -0.349 55.454 56.100 -0.495 0.000 1.446 116 R CB 0.491 30.254 30.300 -0.896 0.000 1.110 116 R HN 0.484 nan 8.270 nan 0.000 0.590 117 W N 4.218 125.356 121.300 -0.271 0.000 2.311 117 W HA 0.286 4.941 4.660 -0.008 0.000 0.317 117 W C 0.118 176.486 176.519 -0.252 0.000 1.065 117 W CA -1.324 55.866 57.345 -0.257 0.000 1.364 117 W CB 0.384 29.773 29.460 -0.118 0.000 1.233 117 W HN 0.312 nan 8.180 nan 0.000 0.409 118 L N 4.096 125.200 121.223 -0.197 0.000 2.534 118 L HA 0.222 4.558 4.340 -0.006 0.000 0.271 118 L C 1.429 178.226 176.870 -0.122 0.000 1.178 118 L CA 0.970 55.719 54.840 -0.151 0.000 0.907 118 L CB -0.329 41.579 42.059 -0.252 0.000 1.164 118 L HN 0.880 nan 8.230 nan 0.000 0.482 119 G N 3.084 111.869 108.800 -0.025 0.000 2.175 119 G HA2 -0.233 3.723 3.960 -0.006 0.000 0.244 119 G HA3 -0.233 3.723 3.960 -0.006 0.000 0.244 119 G C 0.612 175.531 174.900 0.032 0.000 0.982 119 G CA 0.104 45.177 45.100 -0.045 0.000 0.641 119 G HN 0.518 nan 8.290 nan 0.000 0.527 120 I N 0.316 120.932 120.570 0.076 0.000 3.739 120 I HA 0.170 4.337 4.170 -0.006 0.000 0.272 120 I C 1.555 177.717 176.117 0.075 0.000 1.167 120 I CA 1.635 62.991 61.300 0.093 0.000 1.386 120 I CB -0.469 37.602 38.000 0.120 0.000 1.490 120 I HN 0.387 nan 8.210 nan 0.000 0.452 121 N N -0.454 118.322 118.700 0.128 0.000 2.184 121 N HA 0.125 4.862 4.740 -0.006 0.000 0.234 121 N C -0.466 175.145 175.510 0.168 0.000 1.282 121 N CA -0.046 53.066 53.050 0.103 0.000 0.877 121 N CB 0.767 39.286 38.487 0.053 0.000 1.184 121 N HN 0.050 nan 8.380 nan 0.000 0.510 122 F N 0.714 120.642 119.950 -0.038 0.000 2.613 122 F HA 0.368 4.891 4.527 -0.007 0.000 0.314 122 F C -0.273 175.500 175.800 -0.044 0.000 1.075 122 F CA -1.022 56.954 58.000 -0.040 0.000 0.945 122 F CB 1.352 40.324 39.000 -0.046 0.000 1.310 122 F HN -0.252 nan 8.300 nan 0.000 0.467 123 D N 1.512 121.980 120.400 0.114 0.000 2.472 123 D HA 0.267 4.903 4.640 -0.006 0.000 0.248 123 D C 0.462 176.788 176.300 0.044 0.000 1.174 123 D CA 0.533 54.566 54.000 0.055 0.000 0.883 123 D CB 0.947 41.773 40.800 0.044 0.000 1.149 123 D HN 0.682 nan 8.370 nan 0.000 0.488 124 G N 0.835 109.628 108.800 -0.012 0.000 2.574 124 G HA2 0.427 4.383 3.960 -0.006 0.000 0.248 124 G HA3 0.427 4.383 3.960 -0.006 0.000 0.248 124 G C 0.550 175.429 174.900 -0.035 0.000 1.422 124 G CA 0.019 45.080 45.100 -0.064 0.000 1.051 124 G HN 0.437 nan 8.290 nan 0.000 0.560 125 A N -1.575 121.214 122.820 -0.052 0.000 2.307 125 A HA 0.330 4.646 4.320 -0.006 0.000 0.218 125 A C 0.279 177.959 177.584 0.160 0.000 1.228 125 A CA -0.202 51.852 52.037 0.028 0.000 0.857 125 A CB -0.176 18.823 19.000 -0.002 0.000 0.897 125 A HN 0.404 nan 8.150 nan 0.000 0.495 126 Y N 1.061 121.342 120.300 -0.031 0.000 2.889 126 Y HA 0.488 5.038 4.550 0.000 0.000 0.367 126 Y C 0.811 176.702 175.900 -0.016 0.000 1.197 126 Y CA -0.344 57.740 58.100 -0.027 0.000 1.993 126 Y CB -1.365 37.086 38.460 -0.015 0.000 2.112 126 Y HN 0.444 nan 8.280 nan 0.000 0.413 127 A N -0.128 122.761 122.820 0.114 0.000 2.483 127 A HA 0.446 4.762 4.320 -0.006 0.000 0.294 127 A C 0.636 178.218 177.584 -0.004 0.000 1.077 127 A CA -0.724 51.351 52.037 0.063 0.000 0.633 127 A CB 0.631 19.683 19.000 0.087 0.000 1.318 127 A HN 0.267 nan 8.150 nan 0.000 0.455 128 E N -1.044 119.141 120.200 -0.026 0.000 2.158 128 E HA 0.061 4.408 4.350 -0.006 0.000 0.191 128 E C -0.677 175.635 176.600 -0.480 0.000 0.982 128 E CA 1.212 57.477 56.400 -0.226 0.000 0.823 128 E CB 0.060 29.645 29.700 -0.192 0.000 0.766 128 E HN 0.519 nan 8.360 nan 0.000 0.468 129 Y N -0.993 119.317 120.300 0.016 0.000 2.576 129 Y HA 0.517 5.063 4.550 -0.007 0.000 0.346 129 Y C -0.522 175.386 175.900 0.014 0.000 1.018 129 Y CA -1.117 56.990 58.100 0.012 0.000 1.050 129 Y CB 2.209 40.675 38.460 0.010 0.000 1.280 129 Y HN -0.296 nan 8.280 nan 0.000 0.474 130 V N 3.715 123.728 119.914 0.166 0.000 2.851 130 V HA 0.502 4.618 4.120 -0.006 0.000 0.307 130 V C -1.589 174.553 176.094 0.080 0.000 1.129 130 V CA -0.755 61.602 62.300 0.094 0.000 0.932 130 V CB 1.675 33.522 31.823 0.041 0.000 1.024 130 V HN 0.613 nan 8.190 nan 0.000 0.426 131 I N 6.540 127.151 120.570 0.068 0.000 2.371 131 I HA 0.310 4.476 4.170 -0.006 0.000 0.290 131 I C 0.092 176.232 176.117 0.038 0.000 1.028 131 I CA -0.038 61.297 61.300 0.057 0.000 1.345 131 I CB 1.510 39.550 38.000 0.066 0.000 1.407 131 I HN 0.351 nan 8.210 nan 0.000 0.501 132 V N 10.231 130.161 119.914 0.027 0.000 2.348 132 V HA 0.169 4.285 4.120 -0.006 0.000 0.270 132 V C -1.382 174.742 176.094 0.049 0.000 1.037 132 V CA -1.206 61.100 62.300 0.011 0.000 0.872 132 V CB 1.269 33.098 31.823 0.011 0.000 1.002 132 V HN 0.580 nan 8.190 nan 0.000 0.464 133 P HA -0.166 nan 4.420 nan 0.000 0.217 133 P C 0.341 177.747 177.300 0.175 0.000 1.151 133 P CA 1.623 64.772 63.100 0.082 0.000 0.849 133 P CB 0.099 31.794 31.700 -0.008 0.000 0.787 134 H N -2.826 116.337 119.070 0.155 0.000 2.954 134 H HA 0.085 4.638 4.556 -0.006 0.000 0.361 134 H C 0.300 175.687 175.328 0.098 0.000 1.122 134 H CA -0.773 55.357 56.048 0.137 0.000 1.217 134 H CB 0.886 30.698 29.762 0.083 0.000 1.776 134 H HN -0.074 nan 8.280 nan 0.000 0.533 135 Y N 3.571 123.854 120.300 -0.028 0.000 2.483 135 Y HA -0.071 4.475 4.550 -0.007 0.000 0.291 135 Y C 1.894 177.838 175.900 0.074 0.000 1.143 135 Y CA 1.062 59.139 58.100 -0.038 0.000 1.289 135 Y CB -0.277 38.137 38.460 -0.077 0.000 0.983 135 Y HN 0.411 nan 8.280 nan 0.000 0.556 136 K N -0.734 119.604 120.400 -0.104 0.000 2.439 136 K HA -0.133 4.184 4.320 -0.006 0.000 0.197 136 K C 0.445 176.884 176.600 -0.270 0.000 1.041 136 K CA 1.166 57.283 56.287 -0.283 0.000 0.970 136 K CB -0.650 31.475 32.500 -0.625 0.000 0.773 136 K HN 0.375 nan 8.250 nan 0.000 0.479 137 Y N 1.403 121.700 120.300 -0.004 0.000 2.471 137 Y HA 0.260 4.807 4.550 -0.005 0.000 0.286 137 Y C 0.796 176.684 175.900 -0.020 0.000 1.188 137 Y CA -0.134 57.929 58.100 -0.061 0.000 1.286 137 Y CB -0.165 38.208 38.460 -0.146 0.000 1.072 137 Y HN -0.001 nan 8.280 nan 0.000 0.517 138 M N -1.115 118.569 119.600 0.140 0.000 2.573 138 M HA 0.312 4.788 4.480 -0.006 0.000 0.309 138 M C -1.435 175.102 176.300 0.396 0.000 1.202 138 M CA -0.818 54.581 55.300 0.165 0.000 0.975 138 M CB 1.652 34.149 32.600 -0.173 0.000 1.600 138 M HN -0.010 nan 8.290 nan 0.000 0.479 139 Y N 0.779 121.264 120.300 0.307 0.000 2.386 139 Y HA 0.347 4.894 4.550 -0.006 0.000 0.334 139 Y C -0.954 175.052 175.900 0.177 0.000 1.002 139 Y CA -0.942 57.297 58.100 0.231 0.000 1.068 139 Y CB 1.402 39.891 38.460 0.047 0.000 1.203 139 Y HN 0.493 nan 8.280 nan 0.000 0.443 140 K N 6.796 127.172 120.400 -0.040 0.000 2.378 140 K HA 0.281 4.597 4.320 -0.006 0.000 0.288 140 K C -0.891 175.799 176.600 0.150 0.000 1.057 140 K CA -0.069 56.266 56.287 0.081 0.000 0.971 140 K CB 0.449 32.952 32.500 0.005 0.000 0.975 140 K HN 0.607 nan 8.250 nan 0.000 0.475 141 L N 3.606 124.934 121.223 0.176 0.000 2.331 141 L HA 0.224 4.560 4.340 -0.006 0.000 0.278 141 L C 1.273 178.201 176.870 0.097 0.000 1.106 141 L CA -0.156 54.777 54.840 0.156 0.000 0.824 141 L CB 0.873 43.002 42.059 0.118 0.000 1.142 141 L HN 0.620 nan 8.230 nan 0.000 0.443 142 R N 0.793 121.346 120.500 0.087 0.000 2.320 142 R HA 0.152 4.488 4.340 -0.006 0.000 0.193 142 R C 1.873 178.198 176.300 0.041 0.000 0.885 142 R CA 0.274 56.406 56.100 0.054 0.000 1.085 142 R CB 0.239 30.569 30.300 0.049 0.000 1.253 142 R HN 0.496 nan 8.270 nan 0.000 0.636 143 R N -0.293 120.232 120.500 0.042 0.000 2.221 143 R HA 0.285 4.622 4.340 -0.006 0.000 0.195 143 R C -0.270 176.043 176.300 0.022 0.000 0.956 143 R CA 0.292 56.408 56.100 0.026 0.000 1.064 143 R CB 0.419 30.731 30.300 0.021 0.000 1.049 143 R HN 0.071 nan 8.270 nan 0.000 0.534 144 L N 2.648 123.887 121.223 0.027 0.000 2.360 144 L HA 0.270 4.607 4.340 -0.006 0.000 0.271 144 L C -0.188 176.698 176.870 0.027 0.000 1.057 144 L CA -1.053 53.799 54.840 0.020 0.000 0.803 144 L CB 1.336 43.402 42.059 0.011 0.000 1.207 144 L HN 0.179 nan 8.230 nan 0.000 0.445 145 N N 0.807 119.519 118.700 0.020 0.000 2.476 145 N HA 0.408 5.144 4.740 -0.006 0.000 0.276 145 N C 0.556 176.079 175.510 0.022 0.000 1.204 145 N CA -0.190 52.872 53.050 0.021 0.000 0.974 145 N CB 1.017 39.511 38.487 0.013 0.000 1.204 145 N HN 0.603 nan 8.380 nan 0.000 0.543 146 A N 0.152 122.985 122.820 0.021 0.000 1.892 146 A HA -0.158 4.158 4.320 -0.006 0.000 0.218 146 A C 1.982 179.575 177.584 0.015 0.000 1.188 146 A CA 2.125 54.175 52.037 0.021 0.000 0.631 146 A CB -1.308 17.699 19.000 0.011 0.000 0.822 146 A HN 0.486 nan 8.150 nan 0.000 0.447 147 V N -0.069 119.850 119.914 0.007 0.000 2.343 147 V HA -0.267 3.850 4.120 -0.006 0.000 0.247 147 V C 2.371 178.470 176.094 0.008 0.000 1.051 147 V CA 2.321 64.623 62.300 0.004 0.000 1.036 147 V CB -0.860 30.962 31.823 -0.001 0.000 0.654 147 V HN 0.663 nan 8.190 nan 0.000 0.451 148 E N 0.205 120.411 120.200 0.009 0.000 2.152 148 E HA -0.099 4.248 4.350 -0.006 0.000 0.192 148 E C 2.258 178.864 176.600 0.010 0.000 0.983 148 E CA 1.181 57.585 56.400 0.008 0.000 0.818 148 E CB -0.263 29.439 29.700 0.004 0.000 0.758 148 E HN 0.610 nan 8.360 nan 0.000 0.467 149 A N 1.298 124.128 122.820 0.017 0.000 1.935 149 A HA 0.117 4.433 4.320 -0.006 0.000 0.214 149 A C 2.374 179.985 177.584 0.044 0.000 1.178 149 A CA 1.031 53.082 52.037 0.023 0.000 0.640 149 A CB -0.423 18.599 19.000 0.037 0.000 0.825 149 A HN 0.255 nan 8.150 nan 0.000 0.447 150 A N 0.610 123.453 122.820 0.039 0.000 1.948 150 A HA -0.106 4.210 4.320 -0.006 0.000 0.220 150 A C 0.077 177.689 177.584 0.046 0.000 1.177 150 A CA 2.115 54.174 52.037 0.037 0.000 0.636 150 A CB -1.609 17.400 19.000 0.015 0.000 0.815 150 A HN 0.465 nan 8.150 nan 0.000 0.449 151 P HA -0.047 nan 4.420 nan 0.000 0.222 151 P C 1.161 178.515 177.300 0.090 0.000 1.153 151 P CA 0.385 63.522 63.100 0.061 0.000 0.798 151 P CB -0.018 31.708 31.700 0.044 0.000 0.796 152 L N -0.261 121.008 121.223 0.077 0.000 2.187 152 L HA -0.134 4.202 4.340 -0.006 0.000 0.213 152 L C 2.187 179.163 176.870 0.176 0.000 1.100 152 L CA 2.206 57.096 54.840 0.083 0.000 0.765 152 L CB -2.209 39.858 42.059 0.014 0.000 0.904 152 L HN 0.136 nan 8.230 nan 0.000 0.437 153 T N -5.966 108.718 114.554 0.217 0.000 3.113 153 T HA -0.104 4.243 4.350 -0.006 0.000 0.263 153 T C 1.690 176.584 174.700 0.324 0.000 1.143 153 T CA 0.904 63.166 62.100 0.270 0.000 1.090 153 T CB -0.453 68.476 68.868 0.102 0.000 0.922 153 T HN 0.389 nan 8.240 nan 0.000 0.521 154 C N -0.040 119.448 119.300 0.312 0.000 3.120 154 C HA 0.387 4.843 4.460 -0.006 0.000 0.222 154 C C 2.832 177.954 174.990 0.221 0.000 2.428 154 C CA 0.673 59.935 59.018 0.406 0.000 1.422 154 C CB 0.155 28.176 27.740 0.468 0.000 1.236 154 C HN 0.491 nan 8.230 nan 0.000 0.746 155 S N 1.152 116.953 115.700 0.169 0.000 2.383 155 S HA -0.041 4.426 4.470 -0.006 0.000 0.229 155 S C 1.775 176.426 174.600 0.086 0.000 1.030 155 S CA 1.827 60.088 58.200 0.102 0.000 1.002 155 S CB -0.847 62.402 63.200 0.082 0.000 0.829 155 S HN 0.861 nan 8.310 nan 0.000 0.467 156 G N 1.301 110.160 108.800 0.099 0.000 2.404 156 G HA2 -0.084 3.873 3.960 -0.006 0.000 0.214 156 G HA3 -0.084 3.873 3.960 -0.006 0.000 0.214 156 G C 1.354 176.317 174.900 0.105 0.000 1.189 156 G CA 0.494 45.643 45.100 0.081 0.000 0.789 156 G HN 0.476 nan 8.290 nan 0.000 0.533 157 I N 0.681 121.329 120.570 0.130 0.000 2.315 157 I HA -0.140 4.026 4.170 -0.006 0.000 0.248 157 I C 2.754 178.914 176.117 0.071 0.000 1.117 157 I CA 1.431 62.806 61.300 0.125 0.000 1.404 157 I CB -0.026 38.094 38.000 0.200 0.000 1.071 157 I HN 0.129 nan 8.210 nan 0.000 0.419 158 T N 0.062 114.631 114.554 0.025 0.000 2.708 158 T HA -0.179 4.167 4.350 -0.006 0.000 0.266 158 T C 1.812 176.516 174.700 0.006 0.000 1.037 158 T CA 2.220 64.296 62.100 -0.039 0.000 1.146 158 T CB -0.494 68.341 68.868 -0.054 0.000 0.865 158 T HN 0.587 nan 8.240 nan 0.000 0.435 159 T N -0.483 114.094 114.554 0.038 0.000 2.904 159 T HA -0.067 4.279 4.350 -0.006 0.000 0.267 159 T C 1.795 176.525 174.700 0.051 0.000 1.059 159 T CA 0.700 62.817 62.100 0.028 0.000 1.137 159 T CB -0.719 68.164 68.868 0.024 0.000 0.879 159 T HN 0.440 nan 8.240 nan 0.000 0.467 160 Y N 2.169 122.451 120.300 -0.030 0.000 2.181 160 Y HA -0.001 4.545 4.550 -0.006 0.000 0.288 160 Y C 2.862 178.741 175.900 -0.035 0.000 1.146 160 Y CA 1.619 59.700 58.100 -0.031 0.000 1.164 160 Y CB -0.207 38.236 38.460 -0.028 0.000 0.982 160 Y HN 0.078 nan 8.280 nan 0.000 0.515 161 R N 0.098 120.683 120.500 0.143 0.000 2.092 161 R HA -0.118 4.219 4.340 -0.006 0.000 0.231 161 R C 2.306 178.584 176.300 -0.035 0.000 1.119 161 R CA 1.094 57.221 56.100 0.045 0.000 0.970 161 R CB -0.465 29.843 30.300 0.014 0.000 0.864 161 R HN 0.428 nan 8.270 nan 0.000 0.440 162 A N 0.254 123.052 122.820 -0.036 0.000 1.902 162 A HA -0.101 4.215 4.320 -0.006 0.000 0.217 162 A C 2.209 179.740 177.584 -0.089 0.000 1.181 162 A CA 1.521 53.528 52.037 -0.051 0.000 0.623 162 A CB -0.491 18.483 19.000 -0.042 0.000 0.818 162 A HN 0.221 nan 8.150 nan 0.000 0.443 163 V N -0.042 119.796 119.914 -0.127 0.000 2.358 163 V HA -0.245 3.871 4.120 -0.006 0.000 0.246 163 V C 2.645 178.631 176.094 -0.180 0.000 1.047 163 V CA 2.097 64.300 62.300 -0.163 0.000 1.035 163 V CB -0.777 30.920 31.823 -0.210 0.000 0.658 163 V HN 0.506 nan 8.190 nan 0.000 0.452 164 R N 0.122 120.487 120.500 -0.225 0.000 2.091 164 R HA -0.164 4.172 4.340 -0.006 0.000 0.238 164 R C 2.355 178.603 176.300 -0.087 0.000 1.136 164 R CA 1.445 57.444 56.100 -0.169 0.000 0.959 164 R CB -0.319 29.892 30.300 -0.148 0.000 0.856 164 R HN 0.486 nan 8.270 nan 0.000 0.437 165 K N 0.029 120.390 120.400 -0.064 0.000 2.360 165 K HA -0.044 4.273 4.320 -0.006 0.000 0.201 165 K C 1.836 178.406 176.600 -0.051 0.000 1.046 165 K CA 0.928 57.193 56.287 -0.036 0.000 0.945 165 K CB 0.030 32.521 32.500 -0.015 0.000 0.750 165 K HN 0.149 nan 8.250 nan 0.000 0.464 166 A N 1.004 123.779 122.820 -0.074 0.000 2.172 166 A HA -0.050 4.267 4.320 -0.006 0.000 0.216 166 A C 0.646 178.189 177.584 -0.068 0.000 1.154 166 A CA 0.571 52.559 52.037 -0.081 0.000 0.701 166 A CB -0.177 18.765 19.000 -0.096 0.000 0.789 166 A HN 0.194 nan 8.150 nan 0.000 0.465 167 S N -1.157 114.506 115.700 -0.062 0.000 3.608 167 S HA -0.139 4.328 4.470 -0.006 0.000 0.382 167 S C -0.049 174.522 174.600 -0.049 0.000 0.945 167 S CA 0.669 58.839 58.200 -0.049 0.000 1.256 167 S CB -1.986 61.193 63.200 -0.036 0.000 0.913 167 S HN 0.520 nan 8.310 nan 0.000 0.518 168 L N 1.588 122.777 121.223 -0.058 0.000 2.357 168 L HA 0.713 5.049 4.340 -0.006 0.000 0.273 168 L C 0.548 177.394 176.870 -0.040 0.000 1.080 168 L CA -0.575 54.234 54.840 -0.051 0.000 0.803 168 L CB 1.097 43.119 42.059 -0.060 0.000 1.174 168 L HN 0.580 nan 8.230 nan 0.000 0.443 169 D N 0.267 120.649 120.400 -0.030 0.000 2.677 169 D HA 0.352 4.988 4.640 -0.006 0.000 0.298 169 D C -2.527 173.763 176.300 -0.017 0.000 1.250 169 D CA -1.380 52.606 54.000 -0.023 0.000 0.888 169 D CB 1.245 42.034 40.800 -0.018 0.000 1.397 169 D HN 0.035 nan 8.370 nan 0.000 0.461 170 P HA -0.050 nan 4.420 nan 0.000 0.225 170 P C 0.996 178.295 177.300 -0.002 0.000 1.148 170 P CA 1.594 64.690 63.100 -0.006 0.000 0.779 170 P CB -0.075 31.622 31.700 -0.005 0.000 0.780 171 T N -4.895 109.656 114.554 -0.005 0.000 3.148 171 T HA 0.149 4.495 4.350 -0.006 0.000 0.253 171 T C 0.619 175.317 174.700 -0.004 0.000 1.134 171 T CA 0.185 62.283 62.100 -0.003 0.000 1.051 171 T CB -0.282 68.584 68.868 -0.004 0.000 0.959 171 T HN 0.042 nan 8.240 nan 0.000 0.525 172 K N 0.398 120.794 120.400 -0.006 0.000 2.352 172 K HA 0.634 4.950 4.320 -0.006 0.000 0.240 172 K C -0.978 175.619 176.600 -0.005 0.000 1.017 172 K CA -0.844 55.437 56.287 -0.010 0.000 0.851 172 K CB 2.077 34.566 32.500 -0.020 0.000 1.261 172 K HN -0.064 nan 8.250 nan 0.000 0.451 173 T N 1.548 116.097 114.554 -0.009 0.000 2.848 173 T HA 0.383 4.729 4.350 -0.006 0.000 0.285 173 T C -1.388 173.301 174.700 -0.019 0.000 0.995 173 T CA -0.681 61.418 62.100 -0.002 0.000 0.970 173 T CB 1.044 69.912 68.868 0.000 0.000 0.976 173 T HN 0.316 nan 8.240 nan 0.000 0.441 174 L N 3.906 125.117 121.223 -0.019 0.000 2.317 174 L HA 0.821 5.158 4.340 -0.006 0.000 0.281 174 L C -1.331 175.513 176.870 -0.043 0.000 1.024 174 L CA -0.904 53.909 54.840 -0.045 0.000 0.810 174 L CB 1.278 43.305 42.059 -0.053 0.000 1.240 174 L HN 0.571 nan 8.230 nan 0.000 0.427 175 L N 5.902 127.081 121.223 -0.075 0.000 2.287 175 L HA 0.620 4.957 4.340 -0.006 0.000 0.287 175 L C -1.122 175.661 176.870 -0.144 0.000 1.022 175 L CA -0.201 54.584 54.840 -0.091 0.000 0.814 175 L CB 1.605 43.612 42.059 -0.087 0.000 1.217 175 L HN 0.448 nan 8.230 nan 0.000 0.420 176 V N 6.161 125.999 119.914 -0.128 0.000 2.370 176 V HA 0.404 4.520 4.120 -0.006 0.000 0.279 176 V C -0.008 175.973 176.094 -0.188 0.000 1.029 176 V CA -0.686 61.526 62.300 -0.145 0.000 0.870 176 V CB 1.566 33.331 31.823 -0.096 0.000 0.984 176 V HN 0.543 nan 8.190 nan 0.000 0.451 177 V N 4.094 123.864 119.914 -0.240 0.000 2.546 177 V HA 0.602 4.718 4.120 -0.006 0.000 0.284 177 V C 1.189 177.197 176.094 -0.143 0.000 1.050 177 V CA 0.672 62.797 62.300 -0.293 0.000 0.981 177 V CB 0.926 32.534 31.823 -0.358 0.000 0.990 177 V HN 1.225 nan 8.190 nan 0.000 0.474 178 G N 4.027 112.766 108.800 -0.101 0.000 2.246 178 G HA2 -0.180 3.777 3.960 -0.006 0.000 0.273 178 G HA3 -0.180 3.777 3.960 -0.006 0.000 0.273 178 G C 0.858 175.733 174.900 -0.041 0.000 1.055 178 G CA 0.475 45.550 45.100 -0.042 0.000 0.851 178 G HN 1.420 nan 8.290 nan 0.000 0.500 179 A N -0.664 122.125 122.820 -0.051 0.000 2.178 179 A HA 0.391 4.707 4.320 -0.006 0.000 0.218 179 A C 2.371 179.941 177.584 -0.023 0.000 1.157 179 A CA 2.117 54.130 52.037 -0.041 0.000 0.689 179 A CB -0.110 18.864 19.000 -0.044 0.000 0.787 179 A HN 1.632 nan 8.150 nan 0.000 0.465 180 G N -1.158 107.634 108.800 -0.013 0.000 3.126 180 G HA2 0.422 4.379 3.960 -0.006 0.000 0.224 180 G HA3 0.422 4.379 3.960 -0.006 0.000 0.224 180 G C 0.694 175.593 174.900 -0.002 0.000 1.142 180 G CA 0.586 45.683 45.100 -0.005 0.000 0.759 180 G HN 0.676 nan 8.290 nan 0.000 0.550 181 G N -0.464 108.333 108.800 -0.005 0.000 2.525 181 G HA2 0.427 4.383 3.960 -0.006 0.000 0.287 181 G HA3 0.427 4.383 3.960 -0.006 0.000 0.287 181 G C 1.288 176.185 174.900 -0.005 0.000 1.350 181 G CA 0.162 45.260 45.100 -0.003 0.000 1.039 181 G HN 0.178 nan 8.290 nan 0.000 0.513 182 G N -0.630 108.168 108.800 -0.005 0.000 2.514 182 G HA2 -0.215 3.742 3.960 -0.006 0.000 0.217 182 G HA3 -0.215 3.742 3.960 -0.006 0.000 0.217 182 G C 1.736 176.635 174.900 -0.001 0.000 1.198 182 G CA 1.041 46.140 45.100 -0.001 0.000 0.780 182 G HN 0.386 nan 8.290 nan 0.000 0.565 183 L N 0.756 121.975 121.223 -0.006 0.000 2.093 183 L HA 0.074 4.410 4.340 -0.006 0.000 0.208 183 L C 3.211 180.073 176.870 -0.013 0.000 1.085 183 L CA 0.888 55.725 54.840 -0.005 0.000 0.755 183 L CB -0.663 41.389 42.059 -0.011 0.000 0.904 183 L HN 0.336 nan 8.230 nan 0.000 0.435 184 G N -0.069 108.720 108.800 -0.019 0.000 2.418 184 G HA2 -0.289 3.668 3.960 -0.006 0.000 0.217 184 G HA3 -0.289 3.668 3.960 -0.006 0.000 0.217 184 G C 1.699 176.585 174.900 -0.023 0.000 1.158 184 G CA 1.397 46.481 45.100 -0.028 0.000 0.771 184 G HN 0.450 nan 8.290 nan 0.000 0.545 185 T N -1.411 113.134 114.554 -0.015 0.000 2.904 185 T HA -0.038 4.308 4.350 -0.006 0.000 0.267 185 T C 2.283 176.977 174.700 -0.010 0.000 1.059 185 T CA 1.551 63.644 62.100 -0.012 0.000 1.137 185 T CB -0.169 68.695 68.868 -0.008 0.000 0.879 185 T HN 0.138 nan 8.240 nan 0.000 0.467 186 M N 2.458 122.056 119.600 -0.005 0.000 2.132 186 M HA 0.309 4.785 4.480 -0.006 0.000 0.263 186 M C 2.482 178.781 176.300 -0.002 0.000 1.065 186 M CA 1.405 56.707 55.300 0.003 0.000 1.122 186 M CB -1.050 31.558 32.600 0.013 0.000 1.365 186 M HN 0.321 nan 8.290 nan 0.000 0.411 187 A N -0.774 122.038 122.820 -0.013 0.000 1.883 187 A HA -0.116 4.200 4.320 -0.006 0.000 0.217 187 A C 2.185 179.748 177.584 -0.035 0.000 1.186 187 A CA 2.135 54.155 52.037 -0.028 0.000 0.624 187 A CB -1.347 17.628 19.000 -0.042 0.000 0.822 187 A HN 0.390 nan 8.150 nan 0.000 0.444 188 V N -0.011 119.885 119.914 -0.031 0.000 2.295 188 V HA -0.334 3.782 4.120 -0.006 0.000 0.246 188 V C 2.683 178.762 176.094 -0.026 0.000 1.049 188 V CA 2.306 64.587 62.300 -0.031 0.000 1.024 188 V CB -0.955 30.852 31.823 -0.027 0.000 0.648 188 V HN 0.639 nan 8.190 nan 0.000 0.447 189 Q N -0.574 119.215 119.800 -0.018 0.000 2.061 189 Q HA -0.194 4.143 4.340 -0.006 0.000 0.204 189 Q C 2.285 178.278 176.000 -0.011 0.000 0.984 189 Q CA 1.993 57.789 55.803 -0.013 0.000 0.846 189 Q CB -0.279 28.455 28.738 -0.005 0.000 0.902 189 Q HN 0.592 nan 8.270 nan 0.000 0.421 190 I N 0.607 121.172 120.570 -0.007 0.000 2.179 190 I HA -0.281 3.886 4.170 -0.006 0.000 0.242 190 I C 2.480 178.571 176.117 -0.043 0.000 1.088 190 I CA 1.017 62.313 61.300 -0.007 0.000 1.357 190 I CB -0.478 37.524 38.000 0.004 0.000 1.051 190 I HN 0.153 nan 8.210 nan 0.000 0.409 191 A N 0.823 123.609 122.820 -0.056 0.000 1.940 191 A HA -0.292 4.025 4.320 -0.006 0.000 0.219 191 A C 2.322 179.878 177.584 -0.046 0.000 1.176 191 A CA 2.257 54.255 52.037 -0.065 0.000 0.631 191 A CB -0.544 18.419 19.000 -0.061 0.000 0.814 191 A HN 0.397 nan 8.150 nan 0.000 0.446 192 K N -0.341 120.038 120.400 -0.035 0.000 2.155 192 K HA 0.103 4.419 4.320 -0.006 0.000 0.203 192 K C 1.882 178.468 176.600 -0.023 0.000 1.052 192 K CA 1.265 57.535 56.287 -0.028 0.000 0.948 192 K CB -0.303 32.181 32.500 -0.026 0.000 0.728 192 K HN 0.313 nan 8.250 nan 0.000 0.448 193 A N 0.301 123.110 122.820 -0.019 0.000 2.016 193 A HA 0.005 4.322 4.320 -0.006 0.000 0.217 193 A C 1.917 179.495 177.584 -0.010 0.000 1.162 193 A CA 1.252 53.284 52.037 -0.009 0.000 0.662 193 A CB -0.165 18.838 19.000 0.005 0.000 0.812 193 A HN 0.286 nan 8.150 nan 0.000 0.450 194 V N -3.038 116.860 119.914 -0.027 0.000 3.605 194 V HA 0.202 4.318 4.120 -0.006 0.000 0.284 194 V C 1.348 177.415 176.094 -0.046 0.000 1.386 194 V CA 1.352 63.631 62.300 -0.036 0.000 1.053 194 V CB 0.033 31.814 31.823 -0.069 0.000 0.857 194 V HN 0.587 nan 8.190 nan 0.000 0.436 195 S N -0.907 114.766 115.700 -0.045 0.000 2.619 195 S HA 0.446 4.913 4.470 -0.006 0.000 0.238 195 S C 1.858 176.441 174.600 -0.029 0.000 1.068 195 S CA 1.061 59.235 58.200 -0.043 0.000 0.926 195 S CB 0.654 63.820 63.200 -0.056 0.000 0.864 195 S HN 1.802 nan 8.310 nan 0.000 0.493 196 G N 1.717 110.503 108.800 -0.024 0.000 2.189 196 G HA2 -0.158 3.799 3.960 -0.006 0.000 0.267 196 G HA3 -0.158 3.799 3.960 -0.006 0.000 0.267 196 G C 0.418 175.310 174.900 -0.013 0.000 0.975 196 G CA 0.270 45.361 45.100 -0.016 0.000 0.644 196 G HN 1.374 nan 8.290 nan 0.000 0.537 197 A N -0.137 122.672 122.820 -0.017 0.000 2.366 197 A HA 0.670 4.987 4.320 -0.006 0.000 0.249 197 A C 0.856 178.442 177.584 0.005 0.000 1.084 197 A CA 0.978 53.009 52.037 -0.009 0.000 0.794 197 A CB 0.294 19.281 19.000 -0.020 0.000 1.034 197 A HN 0.778 nan 8.150 nan 0.000 0.491 198 T N 1.651 116.221 114.554 0.027 0.000 2.870 198 T HA 0.401 4.748 4.350 -0.006 0.000 0.300 198 T C -0.024 174.713 174.700 0.063 0.000 0.989 198 T CA 0.694 62.834 62.100 0.067 0.000 1.139 198 T CB -0.267 68.674 68.868 0.121 0.000 0.920 198 T HN 0.355 nan 8.240 nan 0.000 0.537 199 I N 4.375 124.984 120.570 0.064 0.000 2.362 199 I HA 0.439 4.605 4.170 -0.006 0.000 0.289 199 I C -0.204 175.968 176.117 0.092 0.000 0.994 199 I CA -0.697 60.628 61.300 0.041 0.000 1.158 199 I CB 1.332 39.332 38.000 -0.000 0.000 1.315 199 I HN 0.442 nan 8.210 nan 0.000 0.451 200 I N 5.168 125.784 120.570 0.077 0.000 2.404 200 I HA 0.515 4.682 4.170 -0.006 0.000 0.293 200 I C 0.495 176.626 176.117 0.024 0.000 0.992 200 I CA -0.433 60.926 61.300 0.098 0.000 1.149 200 I CB 1.863 39.904 38.000 0.068 0.000 1.315 200 I HN 0.608 nan 8.210 nan 0.000 0.446 201 G N 4.879 113.695 108.800 0.028 0.000 2.415 201 G HA2 0.583 4.539 3.960 -0.006 0.000 0.327 201 G HA3 0.583 4.539 3.960 -0.006 0.000 0.327 201 G C -1.476 173.418 174.900 -0.011 0.000 1.182 201 G CA -0.477 44.614 45.100 -0.013 0.000 0.924 201 G HN 0.387 nan 8.290 nan 0.000 0.470 202 V N 1.921 121.802 119.914 -0.055 0.000 2.680 202 V HA 0.768 4.885 4.120 -0.006 0.000 0.309 202 V C -1.312 174.764 176.094 -0.029 0.000 1.052 202 V CA -0.637 61.643 62.300 -0.032 0.000 0.908 202 V CB 2.016 33.804 31.823 -0.058 0.000 1.001 202 V HN 0.828 nan 8.190 nan 0.000 0.431 203 D N 1.994 122.403 120.400 0.016 0.000 2.759 203 D HA 0.385 5.021 4.640 -0.006 0.000 0.321 203 D C 0.045 176.374 176.300 0.048 0.000 1.267 203 D CA 0.340 54.354 54.000 0.024 0.000 0.933 203 D CB 2.546 43.353 40.800 0.012 0.000 1.431 203 D HN 0.510 nan 8.370 nan 0.000 0.504 204 V N -3.316 116.624 119.914 0.045 0.000 3.528 204 V HA 0.621 4.737 4.120 -0.006 0.000 0.294 204 V C 0.497 176.612 176.094 0.036 0.000 1.404 204 V CA 0.468 62.797 62.300 0.049 0.000 1.065 204 V CB 0.053 31.908 31.823 0.053 0.000 0.904 204 V HN 0.597 nan 8.190 nan 0.000 0.435 205 R N -0.642 119.876 120.500 0.030 0.000 2.686 205 R HA 0.809 5.146 4.340 -0.006 0.000 0.283 205 R C 0.903 177.217 176.300 0.022 0.000 0.978 205 R CA 0.270 56.385 56.100 0.025 0.000 0.897 205 R CB 0.607 30.921 30.300 0.023 0.000 1.192 205 R HN 0.529 nan 8.270 nan 0.000 0.457 206 E N 0.795 121.007 120.200 0.020 0.000 2.171 206 E HA -0.247 4.099 4.350 -0.006 0.000 0.197 206 E C 1.502 178.111 176.600 0.015 0.000 0.997 206 E CA 2.178 58.590 56.400 0.018 0.000 0.810 206 E CB -0.341 nan 29.700 nan 0.000 0.738 206 E HN 0.848 nan 8.360 nan 0.000 0.467 207 E N 0.112 120.321 120.200 0.015 0.000 2.072 207 E HA 0.157 4.503 4.350 -0.006 0.000 0.190 207 E C 2.290 178.897 176.600 0.012 0.000 0.982 207 E CA 1.200 57.608 56.400 0.013 0.000 0.803 207 E CB -0.407 29.301 29.700 0.013 0.000 0.755 207 E HN 0.552 nan 8.360 nan 0.000 0.453 208 A N 0.674 123.502 122.820 0.014 0.000 1.968 208 A HA -0.088 4.228 4.320 -0.006 0.000 0.217 208 A C 2.419 180.008 177.584 0.010 0.000 1.169 208 A CA 1.030 53.074 52.037 0.012 0.000 0.638 208 A CB -0.573 18.436 19.000 0.015 0.000 0.812 208 A HN 0.150 nan 8.150 nan 0.000 0.446 209 V N 0.008 119.930 119.914 0.014 0.000 2.343 209 V HA -0.220 3.896 4.120 -0.006 0.000 0.247 209 V C 2.596 178.696 176.094 0.010 0.000 1.051 209 V CA 2.364 64.672 62.300 0.015 0.000 1.036 209 V CB -0.591 31.245 31.823 0.022 0.000 0.654 209 V HN 0.673 nan 8.190 nan 0.000 0.451 210 E N 0.738 120.943 120.200 0.008 0.000 2.072 210 E HA -0.144 4.202 4.350 -0.006 0.000 0.191 210 E C 2.153 178.753 176.600 0.000 0.000 0.985 210 E CA 1.558 57.961 56.400 0.004 0.000 0.801 210 E CB -0.488 29.215 29.700 0.005 0.000 0.750 210 E HN 0.506 nan 8.360 nan 0.000 0.452 211 A N 0.660 123.481 122.820 0.001 0.000 1.933 211 A HA -0.048 4.269 4.320 -0.006 0.000 0.218 211 A C 2.410 179.991 177.584 -0.005 0.000 1.175 211 A CA 1.987 54.023 52.037 -0.001 0.000 0.628 211 A CB -0.921 18.080 19.000 0.001 0.000 0.814 211 A HN 0.362 nan 8.150 nan 0.000 0.444 212 A N -0.270 122.547 122.820 -0.004 0.000 1.902 212 A HA -0.163 4.153 4.320 -0.006 0.000 0.217 212 A C 2.128 179.705 177.584 -0.012 0.000 1.181 212 A CA 2.009 54.041 52.037 -0.009 0.000 0.623 212 A CB -0.421 18.575 19.000 -0.007 0.000 0.818 212 A HN 0.534 nan 8.150 nan 0.000 0.443 213 K N -0.746 119.648 120.400 -0.010 0.000 2.097 213 K HA -0.068 4.248 4.320 -0.006 0.000 0.205 213 K C 2.235 178.822 176.600 -0.022 0.000 1.050 213 K CA 1.187 57.463 56.287 -0.018 0.000 0.938 213 K CB -0.113 32.377 32.500 -0.016 0.000 0.718 213 K HN 0.371 nan 8.250 nan 0.000 0.442 214 R N -0.400 120.091 120.500 -0.015 0.000 2.148 214 R HA 0.004 4.341 4.340 -0.006 0.000 0.227 214 R C 1.900 178.190 176.300 -0.016 0.000 1.103 214 R CA 1.058 57.149 56.100 -0.015 0.000 0.983 214 R CB -0.056 30.238 30.300 -0.010 0.000 0.874 214 R HN 0.192 nan 8.270 nan 0.000 0.451 215 A N -0.617 122.193 122.820 -0.015 0.000 2.209 215 A HA 0.153 4.470 4.320 -0.006 0.000 0.212 215 A C 1.321 178.893 177.584 -0.020 0.000 1.158 215 A CA 1.070 53.097 52.037 -0.016 0.000 0.742 215 A CB -0.044 18.947 19.000 -0.014 0.000 0.790 215 A HN 0.460 nan 8.150 nan 0.000 0.472 216 G N -2.594 106.190 108.800 -0.026 0.000 2.183 216 G HA2 0.209 4.165 3.960 -0.006 0.000 0.168 216 G HA3 0.209 4.165 3.960 -0.006 0.000 0.168 216 G C 0.347 175.222 174.900 -0.042 0.000 1.008 216 G CA 0.007 45.087 45.100 -0.034 0.000 0.677 216 G HN 1.448 nan 8.290 nan 0.000 0.498 217 A N 0.432 123.230 122.820 -0.037 0.000 2.498 217 A HA 0.487 4.803 4.320 -0.006 0.000 0.239 217 A C 1.278 178.815 177.584 -0.078 0.000 1.068 217 A CA 0.971 52.987 52.037 -0.036 0.000 0.766 217 A CB 0.292 19.284 19.000 -0.013 0.000 1.003 217 A HN 0.213 nan 8.150 nan 0.000 0.497 218 D N -0.098 120.241 120.400 -0.102 0.000 2.149 218 D HA 0.009 4.646 4.640 -0.006 0.000 0.201 218 D C -0.461 175.521 176.300 -0.530 0.000 0.972 218 D CA 1.807 55.630 54.000 -0.294 0.000 0.835 218 D CB 0.029 40.665 40.800 -0.273 0.000 0.966 218 D HN 0.620 nan 8.370 nan 0.000 0.476 219 Y N -0.659 119.635 120.300 -0.010 0.000 2.492 219 Y HA 0.365 4.911 4.550 -0.006 0.000 0.346 219 Y C -0.153 175.743 175.900 -0.007 0.000 0.997 219 Y CA -1.286 56.811 58.100 -0.005 0.000 1.025 219 Y CB 2.227 40.685 38.460 -0.002 0.000 1.263 219 Y HN -0.331 nan 8.280 nan 0.000 0.454 220 V N 1.087 121.091 119.914 0.149 0.000 2.789 220 V HA 0.764 4.881 4.120 -0.006 0.000 0.311 220 V C -0.890 175.256 176.094 0.086 0.000 1.073 220 V CA -1.033 61.318 62.300 0.085 0.000 0.921 220 V CB 2.187 34.036 31.823 0.043 0.000 1.009 220 V HN 0.683 nan 8.190 nan 0.000 0.426 221 I N 3.000 123.610 120.570 0.066 0.000 2.498 221 I HA 0.471 4.638 4.170 -0.006 0.000 0.290 221 I C -0.786 175.367 176.117 0.060 0.000 1.032 221 I CA -0.510 60.830 61.300 0.067 0.000 1.073 221 I CB 2.237 40.282 38.000 0.076 0.000 1.251 221 I HN 0.739 nan 8.210 nan 0.000 0.426 222 N N 4.627 123.361 118.700 0.057 0.000 2.527 222 N HA 0.329 5.066 4.740 -0.006 0.000 0.236 222 N C 0.481 176.029 175.510 0.064 0.000 0.999 222 N CA -0.201 52.881 53.050 0.053 0.000 0.935 222 N CB 1.888 40.400 38.487 0.041 0.000 1.132 222 N HN 0.791 nan 8.380 nan 0.000 0.511 223 A N 2.564 125.435 122.820 0.084 0.000 2.216 223 A HA -0.035 4.281 4.320 -0.006 0.000 0.214 223 A C 1.787 179.411 177.584 0.066 0.000 1.160 223 A CA 0.960 53.056 52.037 0.098 0.000 0.725 223 A CB -0.034 19.062 19.000 0.160 0.000 0.784 223 A HN 0.626 nan 8.150 nan 0.000 0.472 224 S N -0.833 114.899 115.700 0.053 0.000 2.458 224 S HA 0.080 4.546 4.470 -0.006 0.000 0.223 224 S C 1.541 176.160 174.600 0.031 0.000 1.019 224 S CA 0.811 59.034 58.200 0.038 0.000 0.937 224 S CB -0.011 63.209 63.200 0.033 0.000 0.788 224 S HN 0.504 nan 8.310 nan 0.000 0.511 225 M N 0.677 120.297 119.600 0.033 0.000 2.337 225 M HA 0.353 4.830 4.480 -0.006 0.000 0.256 225 M C -0.105 176.212 176.300 0.028 0.000 1.075 225 M CA 0.528 55.845 55.300 0.028 0.000 1.024 225 M CB -0.091 32.525 32.600 0.027 0.000 1.429 225 M HN 0.217 nan 8.290 nan 0.000 0.497 226 Q N -0.373 119.448 119.800 0.035 0.000 2.501 226 Q HA 0.273 4.609 4.340 -0.006 0.000 0.288 226 Q C -1.128 174.894 176.000 0.037 0.000 1.051 226 Q CA -0.846 54.978 55.803 0.034 0.000 0.788 226 Q CB 2.093 30.855 28.738 0.040 0.000 1.469 226 Q HN -0.116 nan 8.270 nan 0.000 0.416 227 D N 2.207 122.625 120.400 0.029 0.000 2.393 227 D HA 0.129 4.766 4.640 -0.006 0.000 0.232 227 D C -1.544 174.781 176.300 0.042 0.000 1.192 227 D CA -2.154 51.861 54.000 0.025 0.000 0.882 227 D CB 1.113 41.920 40.800 0.011 0.000 1.038 227 D HN 0.187 nan 8.370 nan 0.000 0.499 228 P HA -0.180 nan 4.420 nan 0.000 0.217 228 P C 1.740 179.097 177.300 0.096 0.000 1.148 228 P CA 0.851 64.024 63.100 0.121 0.000 0.828 228 P CB 0.446 32.303 31.700 0.261 0.000 0.783 229 L N -0.783 120.472 121.223 0.052 0.000 2.093 229 L HA -0.099 4.237 4.340 -0.006 0.000 0.208 229 L C 2.834 179.720 176.870 0.026 0.000 1.085 229 L CA 1.467 56.332 54.840 0.041 0.000 0.755 229 L CB -1.189 40.877 42.059 0.012 0.000 0.904 229 L HN -0.046 nan 8.230 nan 0.000 0.435 230 A N -0.249 122.581 122.820 0.018 0.000 1.898 230 A HA -0.166 4.151 4.320 -0.006 0.000 0.216 230 A C 2.210 179.795 177.584 0.002 0.000 1.181 230 A CA 1.291 53.332 52.037 0.008 0.000 0.620 230 A CB -0.287 18.717 19.000 0.007 0.000 0.819 230 A HN 0.298 nan 8.150 nan 0.000 0.442 231 E N 0.123 120.328 120.200 0.010 0.000 2.051 231 E HA -0.152 4.194 4.350 -0.006 0.000 0.192 231 E C 1.956 178.535 176.600 -0.036 0.000 0.991 231 E CA 1.141 57.537 56.400 -0.006 0.000 0.799 231 E CB -0.523 29.186 29.700 0.015 0.000 0.748 231 E HN 0.710 nan 8.360 nan 0.000 0.449 232 I N 0.713 121.278 120.570 -0.009 0.000 2.226 232 I HA -0.290 3.877 4.170 -0.006 0.000 0.245 232 I C 2.724 178.818 176.117 -0.039 0.000 1.100 232 I CA 1.168 62.453 61.300 -0.025 0.000 1.374 232 I CB -0.200 37.819 38.000 0.032 0.000 1.057 232 I HN 0.034 nan 8.210 nan 0.000 0.413 233 R N 1.060 121.550 120.500 -0.017 0.000 2.096 233 R HA -0.231 4.105 4.340 -0.006 0.000 0.240 233 R C 2.471 178.747 176.300 -0.040 0.000 1.139 233 R CA 1.806 57.894 56.100 -0.019 0.000 0.952 233 R CB -0.294 30.002 30.300 -0.007 0.000 0.854 233 R HN 0.205 nan 8.270 nan 0.000 0.436 234 R N 0.130 120.601 120.500 -0.050 0.000 2.090 234 R HA -0.012 4.325 4.340 -0.006 0.000 0.228 234 R C 2.262 178.497 176.300 -0.108 0.000 1.110 234 R CA 1.496 57.559 56.100 -0.061 0.000 0.973 234 R CB -0.189 30.081 30.300 -0.049 0.000 0.869 234 R HN 0.312 nan 8.270 nan 0.000 0.440 235 I N 0.572 121.034 120.570 -0.179 0.000 2.264 235 I HA -0.244 3.923 4.170 -0.006 0.000 0.248 235 I C 1.806 177.793 176.117 -0.216 0.000 1.111 235 I CA 1.862 62.963 61.300 -0.331 0.000 1.382 235 I CB -0.244 37.429 38.000 -0.545 0.000 1.060 235 I HN 0.333 nan 8.210 nan 0.000 0.418 236 T N -2.911 111.564 114.554 -0.132 0.000 3.163 236 T HA 0.176 4.523 4.350 -0.006 0.000 0.252 236 T C 0.460 175.132 174.700 -0.047 0.000 1.056 236 T CA -0.324 61.729 62.100 -0.077 0.000 0.947 236 T CB -0.223 68.613 68.868 -0.053 0.000 1.016 236 T HN 0.394 nan 8.240 nan 0.000 0.554 237 E N 1.016 121.187 120.200 -0.050 0.000 2.297 237 E HA -0.229 4.117 4.350 -0.006 0.000 0.228 237 E C 0.315 176.903 176.600 -0.020 0.000 1.213 237 E CA 0.297 56.679 56.400 -0.030 0.000 0.712 237 E CB -2.191 27.496 29.700 -0.021 0.000 1.202 237 E HN 0.599 nan 8.360 nan 0.000 0.376 238 S N -2.436 113.252 115.700 -0.020 0.000 2.929 238 S HA -0.319 4.148 4.470 -0.006 0.000 0.271 238 S C 1.287 175.884 174.600 -0.004 0.000 1.295 238 S CA 1.825 60.019 58.200 -0.009 0.000 1.277 238 S CB -0.721 62.476 63.200 -0.005 0.000 1.557 238 S HN 0.555 nan 8.310 nan 0.000 0.666 239 K N 1.663 122.058 120.400 -0.009 0.000 2.103 239 K HA 0.224 4.540 4.320 -0.006 0.000 0.204 239 K C 1.180 177.780 176.600 0.000 0.000 1.052 239 K CA 1.314 57.599 56.287 -0.004 0.000 0.945 239 K CB -0.278 32.217 32.500 -0.008 0.000 0.722 239 K HN 0.826 nan 8.250 nan 0.000 0.443 240 G N 0.267 109.066 108.800 -0.002 0.000 2.710 240 G HA2 -0.203 3.753 3.960 -0.006 0.000 0.668 240 G HA3 -0.203 3.753 3.960 -0.006 0.000 0.668 240 G C -0.549 174.350 174.900 -0.001 0.000 1.320 240 G CA -0.365 44.740 45.100 0.008 0.000 0.860 240 G HN 0.463 nan 8.290 nan 0.000 0.538 241 V N -2.386 117.531 119.914 0.005 0.000 2.617 241 V HA 0.716 4.832 4.120 -0.006 0.000 0.298 241 V C 0.915 176.997 176.094 -0.020 0.000 1.048 241 V CA 0.320 62.614 62.300 -0.010 0.000 0.964 241 V CB 1.908 33.724 31.823 -0.011 0.000 1.004 241 V HN 0.718 nan 8.190 nan 0.000 0.466 242 D N 2.281 122.663 120.400 -0.029 0.000 2.347 242 D HA 0.303 4.939 4.640 -0.006 0.000 0.215 242 D C 0.653 176.918 176.300 -0.058 0.000 0.976 242 D CA 1.579 55.556 54.000 -0.038 0.000 0.884 242 D CB 0.942 41.722 40.800 -0.033 0.000 0.915 242 D HN 0.938 nan 8.370 nan 0.000 0.526 243 A N 0.190 122.968 122.820 -0.070 0.000 2.589 243 A HA 0.505 4.821 4.320 -0.006 0.000 0.296 243 A C -1.278 176.220 177.584 -0.143 0.000 1.062 243 A CA -0.588 51.385 52.037 -0.108 0.000 0.686 243 A CB 1.775 20.712 19.000 -0.106 0.000 1.282 243 A HN -0.090 nan 8.150 nan 0.000 0.404 244 V N 2.362 122.130 119.914 -0.244 0.000 2.487 244 V HA 0.472 4.589 4.120 -0.006 0.000 0.298 244 V C -0.489 175.334 176.094 -0.451 0.000 1.028 244 V CA -0.231 61.847 62.300 -0.370 0.000 0.860 244 V CB 1.544 33.024 31.823 -0.572 0.000 0.991 244 V HN 0.706 nan 8.190 nan 0.000 0.427 245 I N 3.858 124.236 120.570 -0.319 0.000 2.330 245 I HA 0.361 4.528 4.170 -0.006 0.000 0.289 245 I C -0.562 175.412 176.117 -0.238 0.000 1.001 245 I CA -0.134 61.014 61.300 -0.252 0.000 1.193 245 I CB 1.403 39.312 38.000 -0.153 0.000 1.345 245 I HN 0.534 nan 8.210 nan 0.000 0.461 246 D N 8.406 128.682 120.400 -0.206 0.000 2.477 246 D HA 0.330 4.967 4.640 -0.006 0.000 0.239 246 D C -0.592 175.751 176.300 0.073 0.000 1.102 246 D CA -0.343 53.627 54.000 -0.050 0.000 0.901 246 D CB 0.673 41.524 40.800 0.085 0.000 1.026 246 D HN 0.315 nan 8.370 nan 0.000 0.515 247 L N 3.416 124.648 121.223 0.016 0.000 2.319 247 L HA 0.226 4.562 4.340 -0.006 0.000 0.280 247 L C 0.935 177.808 176.870 0.005 0.000 1.099 247 L CA -0.555 54.295 54.840 0.017 0.000 0.828 247 L CB 0.442 42.491 42.059 -0.018 0.000 1.150 247 L HN 0.409 nan 8.230 nan 0.000 0.442 248 N N 2.536 121.209 118.700 -0.044 0.000 2.708 248 N HA -0.256 4.480 4.740 -0.006 0.000 0.255 248 N C -0.530 174.896 175.510 -0.140 0.000 1.046 248 N CA 0.635 53.589 53.050 -0.160 0.000 0.715 248 N CB -0.976 37.446 38.487 -0.108 0.000 0.895 248 N HN 0.524 nan 8.380 nan 0.000 0.545 249 Y N -0.543 119.796 120.300 0.065 0.000 2.385 249 Y HA 0.532 5.079 4.550 -0.004 0.000 0.346 249 Y C 1.042 176.995 175.900 0.089 0.000 1.270 249 Y CA -0.397 57.765 58.100 0.104 0.000 1.472 249 Y CB 0.403 38.947 38.460 0.139 0.000 1.354 249 Y HN 0.364 nan 8.280 nan 0.000 0.611 250 S N -0.744 115.146 115.700 0.317 0.000 2.671 250 S HA 0.245 4.712 4.470 -0.006 0.000 0.277 250 S C 0.499 175.242 174.600 0.238 0.000 1.165 250 S CA -0.423 57.906 58.200 0.214 0.000 0.822 250 S CB 1.512 64.787 63.200 0.125 0.000 1.150 250 S HN 0.906 nan 8.310 nan 0.000 0.479 251 E N 0.834 121.132 120.200 0.163 0.000 2.160 251 E HA -0.185 4.162 4.350 -0.006 0.000 0.195 251 E C 1.464 178.132 176.600 0.115 0.000 0.991 251 E CA 1.359 57.836 56.400 0.128 0.000 0.810 251 E CB -0.165 29.595 29.700 0.100 0.000 0.742 251 E HN 0.637 nan 8.360 nan 0.000 0.466 252 K N -0.206 120.262 120.400 0.114 0.000 2.007 252 K HA -0.104 4.212 4.320 -0.006 0.000 0.206 252 K C 2.504 179.183 176.600 0.130 0.000 1.047 252 K CA 1.869 58.214 56.287 0.097 0.000 0.937 252 K CB -0.334 32.219 32.500 0.088 0.000 0.718 252 K HN 0.275 nan 8.250 nan 0.000 0.438 253 T N 0.602 115.290 114.554 0.224 0.000 2.708 253 T HA -0.123 4.223 4.350 -0.006 0.000 0.266 253 T C 1.976 176.865 174.700 0.315 0.000 1.037 253 T CA 1.052 63.379 62.100 0.378 0.000 1.146 253 T CB -0.615 68.527 68.868 0.457 0.000 0.865 253 T HN 0.078 nan 8.240 nan 0.000 0.435 254 L N 2.058 123.409 121.223 0.213 0.000 2.261 254 L HA -0.061 4.276 4.340 -0.006 0.000 0.216 254 L C 3.033 179.922 176.870 0.032 0.000 1.114 254 L CA 1.467 56.333 54.840 0.044 0.000 0.777 254 L CB -0.775 41.266 42.059 -0.029 0.000 0.910 254 L HN 0.553 nan 8.230 nan 0.000 0.440 255 S N -2.178 113.563 115.700 0.070 0.000 2.501 255 S HA 0.042 4.508 4.470 -0.006 0.000 0.220 255 S C 1.555 176.171 174.600 0.026 0.000 0.997 255 S CA 0.156 58.392 58.200 0.061 0.000 0.919 255 S CB 0.282 63.508 63.200 0.045 0.000 0.778 255 S HN 0.152 nan 8.310 nan 0.000 0.523 256 V N -0.202 119.690 119.914 -0.037 0.000 2.721 256 V HA 0.184 4.300 4.120 -0.006 0.000 0.236 256 V C 1.789 177.779 176.094 -0.173 0.000 1.116 256 V CA 0.596 62.775 62.300 -0.202 0.000 1.148 256 V CB -0.809 30.701 31.823 -0.522 0.000 0.886 256 V HN 0.385 nan 8.190 nan 0.000 0.490 257 Y N 0.575 120.990 120.300 0.192 0.000 2.421 257 Y HA -0.009 4.537 4.550 -0.006 0.000 0.292 257 Y C -0.316 175.769 175.900 0.307 0.000 1.136 257 Y CA 0.611 58.868 58.100 0.263 0.000 1.255 257 Y CB -1.923 36.737 38.460 0.333 0.000 0.991 257 Y HN 0.380 nan 8.280 nan 0.000 0.552 258 P HA -0.158 nan 4.420 nan 0.000 0.221 258 P C 0.920 178.335 177.300 0.191 0.000 1.145 258 P CA 1.733 64.903 63.100 0.117 0.000 0.795 258 P CB -0.016 31.576 31.700 -0.180 0.000 0.775 259 K N -0.701 119.830 120.400 0.218 0.000 2.365 259 K HA 0.057 4.373 4.320 -0.006 0.000 0.199 259 K C 1.818 178.499 176.600 0.135 0.000 1.045 259 K CA 0.961 57.357 56.287 0.182 0.000 0.962 259 K CB -0.289 32.281 32.500 0.116 0.000 0.759 259 K HN 0.075 nan 8.250 nan 0.000 0.469 260 A N 1.072 123.987 122.820 0.159 0.000 2.208 260 A HA 0.077 4.394 4.320 -0.006 0.000 0.209 260 A C 0.741 178.383 177.584 0.098 0.000 1.161 260 A CA 0.083 52.200 52.037 0.135 0.000 0.782 260 A CB -0.227 18.891 19.000 0.197 0.000 0.816 260 A HN 0.111 nan 8.150 nan 0.000 0.477 261 L N 0.643 121.923 121.223 0.096 0.000 2.416 261 L HA 0.371 4.707 4.340 -0.006 0.000 0.272 261 L C 0.939 177.824 176.870 0.025 0.000 1.161 261 L CA -0.477 54.388 54.840 0.042 0.000 0.845 261 L CB 0.782 42.840 42.059 -0.001 0.000 1.119 261 L HN 0.295 nan 8.230 nan 0.000 0.464 262 A N 4.140 126.963 122.820 0.005 0.000 2.296 262 A HA 0.308 4.625 4.320 -0.006 0.000 0.264 262 A C 0.087 177.667 177.584 -0.006 0.000 1.097 262 A CA -0.497 51.541 52.037 0.001 0.000 0.811 262 A CB 0.226 19.221 19.000 -0.007 0.000 1.072 262 A HN 0.716 nan 8.150 nan 0.000 0.495 263 K N 0.390 120.789 120.400 -0.001 0.000 2.485 263 K HA 0.135 4.451 4.320 -0.006 0.000 0.277 263 K C 0.137 176.727 176.600 -0.018 0.000 0.990 263 K CA 0.685 56.969 56.287 -0.005 0.000 0.994 263 K CB 0.114 32.615 32.500 0.001 0.000 0.906 263 K HN 0.715 nan 8.250 nan 0.000 0.488 264 Q N -1.398 118.386 119.800 -0.026 0.000 2.324 264 Q HA -0.169 4.168 4.340 -0.006 0.000 0.200 264 Q C 0.373 176.340 176.000 -0.055 0.000 0.645 264 Q CA 0.743 56.525 55.803 -0.036 0.000 1.377 264 Q CB -1.783 26.940 28.738 -0.024 0.000 1.486 264 Q HN 0.896 nan 8.270 nan 0.000 0.796 265 G N 1.179 109.940 108.800 -0.065 0.000 2.491 265 G HA2 0.299 4.255 3.960 -0.006 0.000 0.242 265 G HA3 0.299 4.255 3.960 -0.006 0.000 0.242 265 G C -0.308 174.517 174.900 -0.125 0.000 1.266 265 G CA -0.232 44.820 45.100 -0.080 0.000 0.844 265 G HN 0.028 nan 8.290 nan 0.000 0.571 266 K N 0.932 121.264 120.400 -0.114 0.000 2.235 266 K HA 0.195 4.511 4.320 -0.006 0.000 0.266 266 K C -1.517 175.003 176.600 -0.133 0.000 0.980 266 K CA -0.654 55.556 56.287 -0.128 0.000 0.849 266 K CB 2.194 34.641 32.500 -0.089 0.000 1.098 266 K HN 0.527 nan 8.250 nan 0.000 0.445 267 Y N 3.193 123.329 120.300 -0.273 0.000 2.595 267 Y HA 0.164 4.711 4.550 -0.006 0.000 0.336 267 Y C -0.607 175.255 175.900 -0.063 0.000 0.996 267 Y CA -0.734 57.255 58.100 -0.186 0.000 1.260 267 Y CB 0.647 38.918 38.460 -0.315 0.000 1.108 267 Y HN 0.245 nan 8.280 nan 0.000 0.509 268 V N 7.945 127.756 119.914 -0.172 0.000 2.389 268 V HA 0.208 4.325 4.120 -0.006 0.000 0.264 268 V C 0.048 176.130 176.094 -0.020 0.000 1.049 268 V CA -0.204 62.062 62.300 -0.057 0.000 0.932 268 V CB 0.459 32.229 31.823 -0.089 0.000 1.011 268 V HN 0.744 nan 8.190 nan 0.000 0.475 269 M N 5.604 125.269 119.600 0.110 0.000 2.238 269 M HA 0.601 5.078 4.480 -0.006 0.000 0.350 269 M C -0.925 175.476 176.300 0.168 0.000 1.138 269 M CA -0.396 54.999 55.300 0.159 0.000 1.040 269 M CB 1.875 34.498 32.600 0.038 0.000 1.639 269 M HN 0.382 nan 8.290 nan 0.000 0.451 270 V N 2.231 122.297 119.914 0.254 0.000 2.638 270 V HA 0.993 5.109 4.120 -0.006 0.000 0.306 270 V C 0.180 176.385 176.094 0.185 0.000 1.052 270 V CA -0.517 61.883 62.300 0.167 0.000 0.885 270 V CB 1.358 33.218 31.823 0.062 0.000 0.999 270 V HN 1.107 nan 8.190 nan 0.000 0.424 271 G N 3.033 111.900 108.800 0.112 0.000 2.371 271 G HA2 0.029 3.986 3.960 -0.006 0.000 0.663 271 G HA3 0.029 3.986 3.960 -0.006 0.000 0.663 271 G C -0.798 174.088 174.900 -0.023 0.000 1.311 271 G CA -0.494 44.578 45.100 -0.048 0.000 0.985 271 G HN 0.769 nan 8.290 nan 0.000 0.566 272 L N 0.286 121.393 121.223 -0.193 0.000 3.229 272 L HA 0.436 4.773 4.340 -0.006 0.000 0.286 272 L C 1.744 178.497 176.870 -0.196 0.000 1.239 272 L CA -0.038 54.710 54.840 -0.154 0.000 1.035 272 L CB -0.164 41.727 42.059 -0.280 0.000 1.408 272 L HN 0.884 nan 8.230 nan 0.000 0.593 273 F N 0.977 120.715 119.950 -0.353 0.000 2.607 273 F HA 0.415 4.939 4.527 -0.006 0.000 0.374 273 F C 1.306 177.105 175.800 -0.001 0.000 1.104 273 F CA -0.112 57.741 58.000 -0.244 0.000 1.296 273 F CB -0.024 38.725 39.000 -0.419 0.000 1.085 273 F HN 0.201 nan 8.300 nan 0.000 0.584 274 G N 2.166 110.965 108.800 -0.001 0.000 2.924 274 G HA2 0.570 4.527 3.960 -0.006 0.000 0.273 274 G HA3 0.570 4.527 3.960 -0.006 0.000 0.273 274 G C 0.176 175.126 174.900 0.083 0.000 0.734 274 G CA 0.697 45.821 45.100 0.040 0.000 2.065 274 G HN 1.972 nan 8.290 nan 0.000 0.580 275 A N 1.704 124.615 122.820 0.151 0.000 2.454 275 A HA 0.755 5.072 4.320 -0.006 0.000 0.302 275 A C -0.846 176.747 177.584 0.015 0.000 1.079 275 A CA -0.833 51.279 52.037 0.125 0.000 0.731 275 A CB 1.839 20.977 19.000 0.231 0.000 1.299 275 A HN 0.345 nan 8.150 nan 0.000 0.413 276 D N 0.826 121.174 120.400 -0.086 0.000 2.248 276 D HA 0.425 5.062 4.640 -0.006 0.000 0.246 276 D C -0.845 175.187 176.300 -0.447 0.000 1.027 276 D CA -0.253 53.575 54.000 -0.287 0.000 0.853 276 D CB 2.226 42.798 40.800 -0.381 0.000 1.243 276 D HN 0.369 nan 8.370 nan 0.000 0.462 277 L N 3.213 124.149 121.223 -0.479 0.000 2.319 277 L HA 0.194 4.530 4.340 -0.006 0.000 0.280 277 L C -0.854 175.696 176.870 -0.532 0.000 1.099 277 L CA 0.145 54.692 54.840 -0.487 0.000 0.828 277 L CB 0.208 41.943 42.059 -0.540 0.000 1.150 277 L HN 0.280 nan 8.230 nan 0.000 0.442 278 H N 5.643 124.633 119.070 -0.132 0.000 2.658 278 H HA 0.421 4.974 4.556 -0.006 0.000 0.337 278 H C -1.602 173.747 175.328 0.034 0.000 1.009 278 H CA -0.352 55.662 56.048 -0.057 0.000 1.231 278 H CB 1.369 31.108 29.762 -0.040 0.000 1.508 278 H HN 0.628 nan 8.280 nan 0.000 0.517 279 Y N 1.147 121.432 120.300 -0.025 0.000 2.482 279 Y HA 0.101 4.647 4.550 -0.006 0.000 0.334 279 Y C -0.412 175.540 175.900 0.086 0.000 1.091 279 Y CA -0.769 57.333 58.100 0.003 0.000 1.027 279 Y CB 1.151 39.556 38.460 -0.092 0.000 1.306 279 Y HN 0.654 nan 8.280 nan 0.000 0.446 280 H N 3.637 122.523 119.070 -0.306 0.000 2.975 280 H HA 0.385 4.938 4.556 -0.006 0.000 0.303 280 H C 0.812 176.143 175.328 0.005 0.000 1.023 280 H CA 0.744 56.707 56.048 -0.141 0.000 1.473 280 H CB 1.445 31.088 29.762 -0.197 0.000 1.498 280 H HN 0.841 nan 8.280 nan 0.000 0.549 281 A N 7.029 129.703 122.820 -0.244 0.000 1.883 281 A HA -0.095 4.221 4.320 -0.006 0.000 0.217 281 A C -0.403 177.098 177.584 -0.139 0.000 1.186 281 A CA 1.298 53.257 52.037 -0.130 0.000 0.624 281 A CB -1.292 17.627 19.000 -0.135 0.000 0.822 281 A HN 0.681 nan 8.150 nan 0.000 0.444 282 P HA -0.113 nan 4.420 nan 0.000 0.219 282 P C 1.279 178.575 177.300 -0.007 0.000 1.146 282 P CA 0.765 63.780 63.100 -0.142 0.000 0.808 282 P CB -0.119 31.482 31.700 -0.166 0.000 0.779 283 L N -1.676 119.573 121.223 0.043 0.000 2.156 283 L HA -0.111 4.225 4.340 -0.006 0.000 0.208 283 L C 2.299 179.279 176.870 0.184 0.000 1.095 283 L CA 1.179 56.105 54.840 0.143 0.000 0.770 283 L CB -0.664 41.502 42.059 0.178 0.000 0.914 283 L HN -0.040 nan 8.230 nan 0.000 0.439 284 I N -0.194 120.499 120.570 0.204 0.000 2.252 284 I HA -0.242 3.924 4.170 -0.006 0.000 0.245 284 I C 2.769 178.934 176.117 0.080 0.000 1.102 284 I CA 1.817 63.220 61.300 0.172 0.000 1.385 284 I CB -0.526 37.603 38.000 0.215 0.000 1.064 284 I HN 0.401 nan 8.210 nan 0.000 0.414 285 T N -0.342 114.244 114.554 0.053 0.000 2.770 285 T HA -0.078 4.269 4.350 -0.006 0.000 0.263 285 T C 1.931 176.646 174.700 0.026 0.000 1.039 285 T CA 0.795 62.912 62.100 0.028 0.000 1.142 285 T CB -0.766 68.108 68.868 0.010 0.000 0.868 285 T HN 0.220 nan 8.240 nan 0.000 0.435 286 L N 0.973 122.214 121.223 0.031 0.000 2.079 286 L HA -0.031 4.306 4.340 -0.006 0.000 0.210 286 L C 2.522 179.410 176.870 0.030 0.000 1.081 286 L CA 1.312 56.169 54.840 0.030 0.000 0.752 286 L CB -0.347 41.734 42.059 0.037 0.000 0.896 286 L HN 0.321 nan 8.230 nan 0.000 0.433 287 S N -1.701 114.022 115.700 0.039 0.000 2.539 287 S HA 0.066 4.532 4.470 -0.006 0.000 0.221 287 S C 0.310 174.915 174.600 0.008 0.000 0.987 287 S CA -0.278 57.938 58.200 0.027 0.000 0.929 287 S CB 0.253 63.478 63.200 0.042 0.000 0.832 287 S HN 0.327 nan 8.310 nan 0.000 0.492 288 E N 1.290 121.496 120.200 0.009 0.000 2.440 288 E HA -0.220 4.126 4.350 -0.006 0.000 0.246 288 E C 0.064 176.645 176.600 -0.032 0.000 1.165 288 E CA 0.465 56.862 56.400 -0.005 0.000 0.726 288 E CB -1.705 27.991 29.700 -0.006 0.000 1.271 288 E HN 0.740 nan 8.360 nan 0.000 0.397 289 I N -2.373 118.167 120.570 -0.050 0.000 2.945 289 I HA 0.248 4.415 4.170 -0.006 0.000 0.292 289 I C 0.345 176.357 176.117 -0.175 0.000 1.093 289 I CA -0.395 60.818 61.300 -0.145 0.000 1.336 289 I CB 0.647 38.504 38.000 -0.240 0.000 1.435 289 I HN -0.074 nan 8.210 nan 0.000 0.593 290 Q N 2.835 122.473 119.800 -0.270 0.000 2.323 290 Q HA 0.494 4.831 4.340 -0.006 0.000 0.271 290 Q C -1.796 173.992 176.000 -0.353 0.000 1.048 290 Q CA -0.494 55.193 55.803 -0.194 0.000 0.792 290 Q CB 2.711 31.396 28.738 -0.087 0.000 1.280 290 Q HN 0.544 nan 8.270 nan 0.000 0.441 291 F N 1.819 121.757 119.950 -0.022 0.000 2.411 291 F HA 0.466 4.989 4.527 -0.006 0.000 0.352 291 F C 0.099 175.899 175.800 -0.000 0.000 1.123 291 F CA -0.870 57.123 58.000 -0.011 0.000 1.044 291 F CB 1.576 40.521 39.000 -0.091 0.000 1.135 291 F HN 0.258 nan 8.300 nan 0.000 0.461 292 V N 1.189 121.200 119.914 0.162 0.000 2.656 292 V HA 0.993 5.110 4.120 -0.006 0.000 0.307 292 V C -0.237 175.911 176.094 0.089 0.000 1.051 292 V CA -0.602 61.756 62.300 0.096 0.000 0.893 292 V CB 1.238 33.090 31.823 0.048 0.000 0.999 292 V HN 0.799 nan 8.190 nan 0.000 0.426 293 G N 2.087 110.928 108.800 0.068 0.000 2.437 293 G HA2 0.658 4.615 3.960 -0.006 0.000 0.319 293 G HA3 0.658 4.615 3.960 -0.006 0.000 0.319 293 G C -0.629 174.308 174.900 0.061 0.000 1.158 293 G CA -0.310 44.825 45.100 0.059 0.000 0.899 293 G HN 1.397 nan 8.290 nan 0.000 0.502 294 S N -0.589 115.148 115.700 0.061 0.000 2.535 294 S HA 0.627 5.094 4.470 -0.006 0.000 0.272 294 S C -1.892 172.729 174.600 0.035 0.000 1.149 294 S CA -0.522 57.711 58.200 0.054 0.000 0.888 294 S CB 1.546 64.765 63.200 0.033 0.000 1.110 294 S HN 0.824 nan 8.310 nan 0.000 0.463 295 L N 5.493 126.729 121.223 0.022 0.000 2.472 295 L HA 0.731 5.067 4.340 -0.006 0.000 0.260 295 L C 0.531 177.283 176.870 -0.196 0.000 0.963 295 L CA 0.421 55.223 54.840 -0.062 0.000 0.829 295 L CB 1.451 43.511 42.059 0.002 0.000 1.348 295 L HN 1.312 nan 8.230 nan 0.000 0.408 296 V N 1.483 121.136 119.914 -0.436 0.000 0.691 296 V HA 0.067 4.184 4.120 -0.006 0.000 0.092 296 V C 0.262 176.038 176.094 -0.530 0.000 0.770 296 V CA 0.724 62.570 62.300 -0.757 0.000 3.097 296 V CB -2.056 28.673 31.823 -1.824 0.000 0.182 296 V HN 2.283 nan 8.190 nan 0.000 0.068 297 G N -0.466 107.920 108.800 -0.691 0.000 2.441 297 G HA2 0.694 4.651 3.960 -0.006 0.000 0.294 297 G HA3 0.694 4.651 3.960 -0.006 0.000 0.294 297 G C -1.185 173.363 174.900 -0.588 0.000 1.393 297 G CA -0.174 44.532 45.100 -0.656 0.000 0.796 297 G HN 2.084 nan 8.290 nan 0.000 0.494 298 N N -1.019 117.481 118.700 -0.334 0.000 2.643 298 N HA 0.298 5.035 4.740 -0.006 0.000 0.305 298 N C 1.027 176.610 175.510 0.122 0.000 1.283 298 N CA -0.643 52.413 53.050 0.009 0.000 0.946 298 N CB 0.578 39.152 38.487 0.145 0.000 1.149 298 N HN 0.359 nan 8.380 nan 0.000 0.600 299 Q N -0.324 119.580 119.800 0.173 0.000 2.181 299 Q HA -0.059 4.277 4.340 -0.006 0.000 0.205 299 Q C 1.628 177.728 176.000 0.168 0.000 0.980 299 Q CA 1.425 57.346 55.803 0.196 0.000 0.862 299 Q CB -0.444 28.375 28.738 0.134 0.000 0.905 299 Q HN 0.678 nan 8.270 nan 0.000 0.429 300 S N 1.231 117.000 115.700 0.115 0.000 2.368 300 S HA -0.123 4.343 4.470 -0.006 0.000 0.225 300 S C 1.395 176.015 174.600 0.033 0.000 1.030 300 S CA 1.180 59.430 58.200 0.084 0.000 0.999 300 S CB -0.107 63.151 63.200 0.097 0.000 0.844 300 S HN 0.361 nan 8.310 nan 0.000 0.459 301 D N 0.541 120.975 120.400 0.056 0.000 2.144 301 D HA -0.051 4.586 4.640 -0.006 0.000 0.200 301 D C 1.588 177.755 176.300 -0.223 0.000 0.978 301 D CA 0.699 54.680 54.000 -0.032 0.000 0.833 301 D CB -0.320 40.538 40.800 0.096 0.000 0.961 301 D HN 0.333 nan 8.370 nan 0.000 0.470 302 F N 1.432 121.286 119.950 -0.159 0.000 2.102 302 F HA -0.149 4.374 4.527 -0.006 0.000 0.298 302 F C 2.128 177.793 175.800 -0.225 0.000 1.105 302 F CA 0.675 58.589 58.000 -0.144 0.000 1.239 302 F CB -0.477 38.522 39.000 -0.002 0.000 0.991 302 F HN -0.138 nan 8.300 nan 0.000 0.474 303 L N 0.535 121.654 121.223 -0.174 0.000 2.042 303 L HA -0.067 4.270 4.340 -0.006 0.000 0.210 303 L C 2.600 179.245 176.870 -0.375 0.000 1.076 303 L CA 2.181 56.899 54.840 -0.204 0.000 0.749 303 L CB -1.576 40.484 42.059 0.002 0.000 0.893 303 L HN 0.251 nan 8.230 nan 0.000 0.432 304 G N -0.781 107.718 108.800 -0.501 0.000 2.421 304 G HA2 -0.301 3.655 3.960 -0.006 0.000 0.216 304 G HA3 -0.301 3.655 3.960 -0.006 0.000 0.216 304 G C 1.593 176.037 174.900 -0.761 0.000 1.171 304 G CA 0.944 45.619 45.100 -0.708 0.000 0.775 304 G HN 0.394 nan 8.290 nan 0.000 0.543 305 I N 0.425 120.441 120.570 -0.924 0.000 2.353 305 I HA -0.007 4.160 4.170 -0.006 0.000 0.248 305 I C 2.449 178.303 176.117 -0.438 0.000 1.119 305 I CA 0.910 61.918 61.300 -0.485 0.000 1.417 305 I CB -0.143 37.674 38.000 -0.306 0.000 1.078 305 I HN 0.029 nan 8.210 nan 0.000 0.421 306 M N -0.082 119.099 119.600 -0.697 0.000 2.175 306 M HA -0.122 4.354 4.480 -0.006 0.000 0.264 306 M C 2.363 178.282 176.300 -0.634 0.000 1.063 306 M CA 1.462 56.222 55.300 -0.899 0.000 1.119 306 M CB -1.365 30.120 32.600 -1.859 0.000 1.377 306 M HN 0.234 nan 8.290 nan 0.000 0.415 307 R N -0.005 120.218 120.500 -0.461 0.000 2.081 307 R HA -0.061 4.275 4.340 -0.006 0.000 0.235 307 R C 2.301 178.530 176.300 -0.118 0.000 1.131 307 R CA 1.124 57.118 56.100 -0.176 0.000 0.960 307 R CB -0.575 29.676 30.300 -0.082 0.000 0.856 307 R HN 0.368 nan 8.270 nan 0.000 0.436 308 L N 0.031 121.180 121.223 -0.123 0.000 2.017 308 L HA -0.184 4.153 4.340 -0.006 0.000 0.208 308 L C 2.679 179.512 176.870 -0.062 0.000 1.073 308 L CA 1.458 56.267 54.840 -0.052 0.000 0.745 308 L CB -0.570 41.487 42.059 -0.003 0.000 0.894 308 L HN 0.228 nan 8.230 nan 0.000 0.432 309 A N -0.873 121.882 122.820 -0.107 0.000 1.930 309 A HA -0.160 4.157 4.320 -0.006 0.000 0.217 309 A C 2.201 179.745 177.584 -0.067 0.000 1.175 309 A CA 1.178 53.163 52.037 -0.086 0.000 0.627 309 A CB -0.313 18.617 19.000 -0.117 0.000 0.815 309 A HN 0.307 nan 8.150 nan 0.000 0.443 310 E N -0.123 120.027 120.200 -0.083 0.000 2.204 310 E HA -0.067 4.279 4.350 -0.006 0.000 0.194 310 E C 1.841 178.437 176.600 -0.006 0.000 0.989 310 E CA 1.051 57.436 56.400 -0.024 0.000 0.824 310 E CB -0.247 29.467 29.700 0.022 0.000 0.756 310 E HN 0.543 nan 8.360 nan 0.000 0.477 311 A N -0.301 122.510 122.820 -0.015 0.000 2.307 311 A HA 0.325 4.641 4.320 -0.006 0.000 0.218 311 A C 1.605 179.185 177.584 -0.007 0.000 1.228 311 A CA 0.860 52.894 52.037 -0.005 0.000 0.857 311 A CB -0.227 18.771 19.000 -0.003 0.000 0.897 311 A HN 0.239 nan 8.150 nan 0.000 0.495 312 G N 0.081 108.873 108.800 -0.013 0.000 2.196 312 G HA2 -0.368 3.588 3.960 -0.006 0.000 0.268 312 G HA3 -0.368 3.588 3.960 -0.006 0.000 0.268 312 G C 0.987 175.881 174.900 -0.010 0.000 0.975 312 G CA 1.066 46.160 45.100 -0.011 0.000 0.648 312 G HN 0.581 nan 8.290 nan 0.000 0.538 313 K N -0.522 119.872 120.400 -0.010 0.000 2.283 313 K HA 0.259 4.575 4.320 -0.006 0.000 0.202 313 K C 1.093 177.691 176.600 -0.004 0.000 1.048 313 K CA 1.293 57.577 56.287 -0.005 0.000 0.948 313 K CB 0.211 32.711 32.500 0.000 0.000 0.742 313 K HN 0.894 nan 8.250 nan 0.000 0.458 314 V N -1.224 118.685 119.914 -0.008 0.000 2.638 314 V HA 0.392 4.509 4.120 -0.006 0.000 0.306 314 V C -1.042 175.046 176.094 -0.011 0.000 1.052 314 V CA -1.353 60.944 62.300 -0.005 0.000 0.885 314 V CB 1.856 33.681 31.823 0.003 0.000 0.999 314 V HN -0.063 nan 8.190 nan 0.000 0.424 315 K N 3.904 124.299 120.400 -0.007 0.000 2.118 315 K HA 0.586 4.903 4.320 -0.006 0.000 0.264 315 K C -2.551 174.046 176.600 -0.005 0.000 1.000 315 K CA -1.589 54.694 56.287 -0.007 0.000 0.929 315 K CB 0.857 33.354 32.500 -0.005 0.000 1.021 315 K HN 0.536 nan 8.250 nan 0.000 0.463 316 P HA -0.059 nan 4.420 nan 0.000 0.267 316 P C -0.373 176.929 177.300 0.003 0.000 1.201 316 P CA 0.347 63.446 63.100 -0.001 0.000 0.775 316 P CB 0.455 32.154 31.700 -0.001 0.000 0.854 317 M N 1.196 120.800 119.600 0.007 0.000 2.226 317 M HA 0.146 4.622 4.480 -0.006 0.000 0.324 317 M C 0.597 176.901 176.300 0.006 0.000 1.112 317 M CA 0.037 55.343 55.300 0.009 0.000 1.176 317 M CB 0.019 32.629 32.600 0.016 0.000 1.430 317 M HN 0.197 nan 8.290 nan 0.000 0.462 318 I N 2.194 122.767 120.570 0.006 0.000 2.517 318 I HA 0.041 4.207 4.170 -0.006 0.000 0.285 318 I C 0.239 176.359 176.117 0.004 0.000 1.106 318 I CA 0.189 61.492 61.300 0.004 0.000 1.402 318 I CB 0.074 38.076 38.000 0.004 0.000 1.399 318 I HN 0.693 nan 8.210 nan 0.000 0.535 319 T N 3.678 118.234 114.554 0.003 0.000 2.907 319 T HA 0.511 4.857 4.350 -0.006 0.000 0.292 319 T C -0.425 174.273 174.700 -0.002 0.000 1.043 319 T CA -1.127 60.974 62.100 0.001 0.000 1.003 319 T CB 2.544 71.413 68.868 0.002 0.000 1.084 319 T HN 0.209 nan 8.240 nan 0.000 0.483 320 K N 2.931 123.328 120.400 -0.005 0.000 2.483 320 K HA 0.413 4.729 4.320 -0.006 0.000 0.256 320 K C -0.105 176.486 176.600 -0.015 0.000 0.961 320 K CA -0.421 55.861 56.287 -0.009 0.000 0.873 320 K CB 1.589 34.084 32.500 -0.009 0.000 1.107 320 K HN 1.022 nan 8.250 nan 0.000 0.432 321 T N 1.410 115.954 114.554 -0.016 0.000 2.897 321 T HA 0.617 4.963 4.350 -0.006 0.000 0.294 321 T C 0.684 175.366 174.700 -0.030 0.000 1.004 321 T CA -0.479 61.607 62.100 -0.023 0.000 1.106 321 T CB 1.006 69.862 68.868 -0.021 0.000 0.949 321 T HN 0.471 nan 8.240 nan 0.000 0.520 322 M N 0.976 120.551 119.600 -0.042 0.000 2.907 322 M HA 0.510 4.986 4.480 -0.006 0.000 0.282 322 M C -0.476 175.787 176.300 -0.061 0.000 1.259 322 M CA -1.254 54.016 55.300 -0.051 0.000 0.753 322 M CB 2.070 34.634 32.600 -0.060 0.000 1.744 322 M HN 0.468 nan 8.290 nan 0.000 0.434 323 K N 0.683 121.042 120.400 -0.068 0.000 2.166 323 K HA 0.368 4.685 4.320 -0.006 0.000 0.245 323 K C 0.401 176.939 176.600 -0.103 0.000 0.967 323 K CA -0.668 55.576 56.287 -0.072 0.000 0.863 323 K CB 1.969 34.436 32.500 -0.056 0.000 1.107 323 K HN 0.473 nan 8.250 nan 0.000 0.436 324 L N 2.151 123.312 121.223 -0.104 0.000 2.051 324 L HA -0.260 4.076 4.340 -0.006 0.000 0.214 324 L C 1.634 178.418 176.870 -0.144 0.000 1.076 324 L CA 2.098 56.855 54.840 -0.139 0.000 0.758 324 L CB -0.395 41.607 42.059 -0.094 0.000 0.890 324 L HN 0.637 nan 8.230 nan 0.000 0.433 325 E N 0.104 120.247 120.200 -0.094 0.000 2.118 325 E HA -0.203 4.143 4.350 -0.006 0.000 0.195 325 E C 1.890 178.438 176.600 -0.087 0.000 0.992 325 E CA 1.436 57.791 56.400 -0.076 0.000 0.804 325 E CB -0.312 29.358 29.700 -0.050 0.000 0.741 325 E HN 0.613 nan 8.360 nan 0.000 0.458 326 E N 0.180 120.323 120.200 -0.095 0.000 2.505 326 E HA 0.030 4.377 4.350 -0.006 0.000 0.197 326 E C 1.446 177.971 176.600 -0.125 0.000 1.111 326 E CA 0.194 56.540 56.400 -0.090 0.000 0.887 326 E CB 0.008 29.662 29.700 -0.076 0.000 0.913 326 E HN 0.267 nan 8.360 nan 0.000 0.517 327 A N 2.057 124.767 122.820 -0.182 0.000 1.849 327 A HA -0.273 4.044 4.320 -0.006 0.000 0.217 327 A C 1.967 179.468 177.584 -0.139 0.000 1.202 327 A CA 1.466 53.340 52.037 -0.271 0.000 0.629 327 A CB -0.457 18.310 19.000 -0.389 0.000 0.834 327 A HN 0.244 nan 8.150 nan 0.000 0.447 328 N N -0.499 118.154 118.700 -0.079 0.000 2.137 328 N HA -0.207 4.529 4.740 -0.006 0.000 0.190 328 N C 1.814 177.304 175.510 -0.034 0.000 1.017 328 N CA 1.645 54.675 53.050 -0.032 0.000 0.859 328 N CB -0.308 38.169 38.487 -0.018 0.000 1.002 328 N HN 0.772 nan 8.380 nan 0.000 0.428 329 E N 0.755 120.927 120.200 -0.045 0.000 2.031 329 E HA -0.134 4.213 4.350 -0.006 0.000 0.193 329 E C 1.940 178.517 176.600 -0.039 0.000 0.994 329 E CA 1.125 57.503 56.400 -0.037 0.000 0.800 329 E CB -0.053 29.623 29.700 -0.039 0.000 0.752 329 E HN 0.298 nan 8.360 nan 0.000 0.447 330 A N 1.283 124.069 122.820 -0.056 0.000 1.892 330 A HA -0.215 4.101 4.320 -0.006 0.000 0.218 330 A C 2.190 179.754 177.584 -0.033 0.000 1.188 330 A CA 1.707 53.714 52.037 -0.050 0.000 0.631 330 A CB -0.783 18.171 19.000 -0.076 0.000 0.822 330 A HN 0.392 nan 8.150 nan 0.000 0.447 331 I N -0.389 120.165 120.570 -0.026 0.000 2.493 331 I HA -0.187 3.980 4.170 -0.006 0.000 0.254 331 I C 1.668 177.758 176.117 -0.046 0.000 1.160 331 I CA 1.045 62.331 61.300 -0.022 0.000 1.445 331 I CB -0.459 37.547 38.000 0.009 0.000 1.086 331 I HN 0.295 nan 8.210 nan 0.000 0.433 332 D N 1.153 121.534 120.400 -0.033 0.000 2.084 332 D HA -0.146 4.490 4.640 -0.006 0.000 0.196 332 D C 1.836 178.121 176.300 -0.025 0.000 0.985 332 D CA 1.118 55.103 54.000 -0.026 0.000 0.826 332 D CB -0.479 40.313 40.800 -0.013 0.000 0.978 332 D HN 0.317 nan 8.370 nan 0.000 0.456 333 N N 0.911 119.598 118.700 -0.021 0.000 2.192 333 N HA -0.148 4.588 4.740 -0.006 0.000 0.188 333 N C 2.145 177.630 175.510 -0.041 0.000 1.013 333 N CA 0.602 53.644 53.050 -0.013 0.000 0.863 333 N CB -0.324 38.156 38.487 -0.012 0.000 0.990 333 N HN 0.289 nan 8.380 nan 0.000 0.430 334 L N 1.330 122.506 121.223 -0.079 0.000 2.109 334 L HA -0.071 4.265 4.340 -0.006 0.000 0.207 334 L C 2.283 178.993 176.870 -0.267 0.000 1.086 334 L CA 0.935 55.682 54.840 -0.155 0.000 0.760 334 L CB -0.302 41.690 42.059 -0.111 0.000 0.910 334 L HN 0.127 nan 8.230 nan 0.000 0.437 335 E N 0.381 120.485 120.200 -0.161 0.000 2.106 335 E HA -0.136 4.210 4.350 -0.006 0.000 0.192 335 E C 0.845 177.504 176.600 0.099 0.000 0.984 335 E CA 0.891 57.233 56.400 -0.096 0.000 0.806 335 E CB -0.060 29.606 29.700 -0.056 0.000 0.750 335 E HN 0.543 nan 8.360 nan 0.000 0.458 336 N N 0.452 119.215 118.700 0.105 0.000 2.295 336 N HA 0.034 4.770 4.740 -0.006 0.000 0.221 336 N C -0.463 175.243 175.510 0.326 0.000 1.129 336 N CA -0.019 53.160 53.050 0.215 0.000 0.836 336 N CB 0.128 38.680 38.487 0.109 0.000 1.040 336 N HN 0.027 nan 8.380 nan 0.000 0.494 337 F N 0.728 120.708 119.950 0.049 0.000 3.021 337 F HA -0.296 4.228 4.527 -0.005 0.000 0.256 337 F C 1.171 176.989 175.800 0.030 0.000 0.976 337 F CA 0.691 58.721 58.000 0.049 0.000 0.861 337 F CB -1.767 37.259 39.000 0.043 0.000 0.778 337 F HN 0.126 nan 8.300 nan 0.000 0.765 338 K N -0.514 119.958 120.400 0.120 0.000 2.353 338 K HA 0.478 4.795 4.320 -0.006 0.000 0.195 338 K C 1.073 177.698 176.600 0.042 0.000 1.031 338 K CA 0.582 56.916 56.287 0.079 0.000 1.079 338 K CB 0.505 33.039 32.500 0.058 0.000 0.857 338 K HN 0.267 nan 8.250 nan 0.000 0.535 339 A N 1.842 124.674 122.820 0.019 0.000 2.350 339 A HA 0.486 4.803 4.320 -0.006 0.000 0.293 339 A C 0.040 177.630 177.584 0.009 0.000 1.231 339 A CA -0.312 51.727 52.037 0.002 0.000 0.883 339 A CB -0.513 18.476 19.000 -0.019 0.000 1.133 339 A HN 0.233 nan 8.150 nan 0.000 0.533 340 I N 1.871 122.449 120.570 0.013 0.000 2.330 340 I HA 0.744 4.910 4.170 -0.006 0.000 0.286 340 I C 0.754 176.876 176.117 0.008 0.000 1.025 340 I CA 0.177 61.485 61.300 0.015 0.000 1.197 340 I CB -0.003 nan 38.000 nan 0.000 1.358 340 I HN 2.134 nan 8.210 nan 0.000 0.467 341 G N 3.413 112.216 108.800 0.006 0.000 2.650 341 G HA2 0.292 4.248 3.960 -0.006 0.000 0.686 341 G HA3 0.292 4.248 3.960 -0.006 0.000 0.686 341 G C -0.366 174.537 174.900 0.004 0.000 1.205 341 G CA -0.556 44.547 45.100 0.005 0.000 0.781 341 G HN 1.990 nan 8.290 nan 0.000 0.648 342 R N 1.105 121.609 120.500 0.007 0.000 2.351 342 R HA 0.386 4.722 4.340 -0.006 0.000 0.318 342 R C 0.846 177.149 176.300 0.005 0.000 1.055 342 R CA 0.236 56.343 56.100 0.011 0.000 0.968 342 R CB -0.017 30.294 30.300 0.018 0.000 0.974 342 R HN 0.577 nan 8.270 nan 0.000 0.439 343 Q N 2.806 122.607 119.800 0.003 0.000 2.296 343 Q HA 0.305 4.641 4.340 -0.006 0.000 0.262 343 Q C -0.755 175.239 176.000 -0.009 0.000 0.981 343 Q CA -0.388 55.410 55.803 -0.008 0.000 0.905 343 Q CB 1.603 30.331 28.738 -0.015 0.000 1.186 343 Q HN 0.317 nan 8.270 nan 0.000 0.399 344 V N 4.686 124.589 119.914 -0.018 0.000 2.483 344 V HA 0.320 4.437 4.120 -0.006 0.000 0.297 344 V C -0.293 175.777 176.094 -0.040 0.000 1.027 344 V CA -0.727 61.562 62.300 -0.019 0.000 0.855 344 V CB 1.428 33.245 31.823 -0.010 0.000 0.995 344 V HN 0.657 nan 8.190 nan 0.000 0.424 345 L N 5.733 126.922 121.223 -0.057 0.000 2.331 345 L HA 0.534 4.871 4.340 -0.006 0.000 0.278 345 L C -0.394 176.439 176.870 -0.062 0.000 1.106 345 L CA -0.148 54.639 54.840 -0.088 0.000 0.824 345 L CB 0.932 42.892 42.059 -0.165 0.000 1.142 345 L HN 0.480 nan 8.230 nan 0.000 0.443 346 I N 4.538 125.071 120.570 -0.062 0.000 2.390 346 I HA 0.298 4.464 4.170 -0.006 0.000 0.283 346 I C -1.967 174.114 176.117 -0.061 0.000 1.016 346 I CA -1.741 59.527 61.300 -0.053 0.000 1.151 346 I CB 1.527 39.503 38.000 -0.042 0.000 1.293 346 I HN 0.381 nan 8.210 nan 0.000 0.458 347 P HA 0.000 nan 4.420 nan 0.000 0.216 347 P CA 0.000 63.054 63.100 -0.076 0.000 0.800 347 P CB 0.000 31.641 31.700 -0.099 0.000 0.726