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 2fn1_1_A DATA FIRST_RESID 2 DATA SEQUENCE KISEFLHXXX XEEQWLPTIS GVLRQFAEEE CYVYERPPCW YLGKGCQARL DATA SEQUENCE HINADGTQAT FIDDAGEQKW AVDSIADCAR RFMAHPQVKG RRVYGQVGFN DATA SEQUENCE FAAHARGIAF NAGEWPLLTL TVPREELIFE KGNVTVYADX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX APLAVDTALN GEAYKQQVAR AVAEIRRGEY VKVIVSRAIP DATA SEQUENCE LPSRIDMPAT LLYGRQANTP VRSFMFRQEG REALGFSPEL VMSVTGNKVV DATA SEQUENCE TEPLAGTRDR MGNPEHNKAK EAELLHDSKE VLEHILSVKE AIAELEAVCL DATA SEQUENCE PGSVVVEDLM SVRQRGSVQH LGSGVSGQLA ENKDAWDAFT VLFPSITASG DATA SEQUENCE IPKNAALNAI MQIEKTPREL YSGAILLLDD TRFDAALVLR SVFQDSQRCW DATA SEQUENCE IQAGAGIIAQ STPERELTET REKLASIAPY LMV 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.662 176.600 0.104 0.000 0.988 2 K CA 0.000 56.362 56.287 0.126 0.000 0.838 2 K CB 0.000 32.540 32.500 0.067 0.000 1.064 3 I N 2.434 123.015 120.570 0.017 0.000 2.483 3 I HA 0.385 4.552 4.170 -0.005 0.000 0.291 3 I C 1.295 177.303 176.117 -0.181 0.000 1.112 3 I CA 1.022 62.156 61.300 -0.277 0.000 1.350 3 I CB 0.806 38.622 38.000 -0.307 0.000 1.419 3 I HN 0.919 nan 8.210 nan 0.000 0.523 4 S N 5.052 120.641 115.700 -0.186 0.000 2.348 4 S HA 0.126 4.594 4.470 -0.005 0.000 0.219 4 S C 1.010 175.559 174.600 -0.084 0.000 1.033 4 S CA 1.567 59.707 58.200 -0.099 0.000 0.974 4 S CB -0.186 nan 63.200 nan 0.000 0.868 4 S HN 0.818 nan 8.310 nan 0.000 0.459 5 E N -0.934 119.202 120.200 -0.106 0.000 2.423 5 E HA 0.746 5.093 4.350 -0.005 0.000 0.269 5 E C -1.399 175.207 176.600 0.010 0.000 0.948 5 E CA -0.832 55.538 56.400 -0.049 0.000 0.802 5 E CB 1.042 30.705 29.700 -0.062 0.000 1.339 5 E HN 0.711 nan 8.360 nan 0.000 0.445 6 F N 0.402 120.272 119.950 -0.133 0.000 3.065 6 F HA 0.517 5.041 4.527 -0.005 0.000 0.383 6 F C -0.411 175.340 175.800 -0.081 0.000 1.259 6 F CA -0.482 57.443 58.000 -0.125 0.000 1.217 6 F CB 0.491 39.429 39.000 -0.104 0.000 2.042 6 F HN 0.845 nan 8.300 nan 0.000 0.641 7 L N 2.931 123.986 121.223 -0.279 0.000 2.331 7 L HA 0.766 5.103 4.340 -0.005 0.000 0.278 7 L C 0.789 177.476 176.870 -0.306 0.000 1.106 7 L CA 0.226 54.939 54.840 -0.213 0.000 0.824 7 L CB -1.018 40.960 42.059 -0.136 0.000 1.142 7 L HN 0.877 nan 8.230 nan 0.000 0.443 14 E N 0.230 120.198 120.200 -0.386 0.000 2.472 14 E HA 0.165 4.512 4.350 -0.005 0.000 0.200 14 E C 2.107 178.626 176.600 -0.134 0.000 1.046 14 E CA 2.109 58.382 56.400 -0.212 0.000 0.871 14 E CB -0.971 28.640 29.700 -0.148 0.000 0.806 14 E HN 1.133 nan 8.360 nan 0.000 0.533 15 Q N -1.259 118.480 119.800 -0.101 0.000 2.356 15 Q HA 0.216 4.554 4.340 -0.005 0.000 0.205 15 Q C 1.864 177.934 176.000 0.116 0.000 0.901 15 Q CA 0.570 56.380 55.803 0.012 0.000 0.938 15 Q CB -0.716 nan 28.738 nan 0.000 1.081 15 Q HN 0.783 nan 8.270 nan 0.000 0.517 16 W N 0.695 121.898 121.300 -0.161 0.000 2.352 16 W HA -0.067 4.590 4.660 -0.005 0.000 0.322 16 W C 2.727 178.860 176.519 -0.643 0.000 1.208 16 W CA 1.577 58.678 57.345 -0.406 0.000 1.286 16 W CB -1.269 27.907 29.460 -0.474 0.000 1.167 16 W HN 0.439 nan 8.180 nan 0.000 0.469 17 L N 0.658 121.674 121.223 -0.345 0.000 1.987 17 L HA -0.255 4.082 4.340 -0.005 0.000 0.230 17 L C 0.515 177.218 176.870 -0.277 0.000 1.089 17 L CA 3.702 58.294 54.840 -0.414 0.000 0.802 17 L CB -3.005 nan 42.059 nan 0.000 0.905 17 L HN -0.028 nan 8.230 nan 0.000 0.441 18 P HA -0.150 nan 4.420 nan 0.000 0.216 18 P C 1.814 179.072 177.300 -0.070 0.000 1.150 18 P CA 2.052 65.099 63.100 -0.089 0.000 0.843 18 P CB -0.343 31.325 31.700 -0.052 0.000 0.787 19 T N -0.849 113.672 114.554 -0.056 0.000 2.777 19 T HA -0.076 4.272 4.350 -0.005 0.000 0.266 19 T C 1.762 176.456 174.700 -0.010 0.000 1.040 19 T CA 1.018 63.131 62.100 0.022 0.000 1.141 19 T CB -0.837 68.143 68.868 0.187 0.000 0.868 19 T HN 0.064 nan 8.240 nan 0.000 0.444 20 I N 1.216 121.688 120.570 -0.164 0.000 2.179 20 I HA -0.202 3.965 4.170 -0.005 0.000 0.242 20 I C 2.791 178.854 176.117 -0.091 0.000 1.088 20 I CA 1.160 62.359 61.300 -0.169 0.000 1.357 20 I CB -0.450 37.306 38.000 -0.406 0.000 1.051 20 I HN 0.237 nan 8.210 nan 0.000 0.409 21 S N 0.842 116.477 115.700 -0.108 0.000 2.365 21 S HA -0.196 4.271 4.470 -0.005 0.000 0.225 21 S C 2.216 176.795 174.600 -0.035 0.000 1.039 21 S CA 1.857 60.021 58.200 -0.060 0.000 1.033 21 S CB -0.971 62.194 63.200 -0.059 0.000 0.887 21 S HN 0.547 nan 8.310 nan 0.000 0.447 22 G N 1.114 109.896 108.800 -0.029 0.000 2.514 22 G HA2 -0.206 3.751 3.960 -0.005 0.000 0.217 22 G HA3 -0.206 3.751 3.960 -0.005 0.000 0.217 22 G C 1.544 176.439 174.900 -0.009 0.000 1.198 22 G CA 1.392 46.484 45.100 -0.013 0.000 0.780 22 G HN 0.503 nan 8.290 nan 0.000 0.565 23 V N 1.211 121.127 119.914 0.003 0.000 2.278 23 V HA -0.226 3.891 4.120 -0.005 0.000 0.251 23 V C 2.963 179.046 176.094 -0.018 0.000 1.062 23 V CA 1.897 64.200 62.300 0.004 0.000 1.038 23 V CB -0.603 31.243 31.823 0.038 0.000 0.646 23 V HN 0.372 nan 8.190 nan 0.000 0.447 24 L N -0.985 120.225 121.223 -0.022 0.000 2.083 24 L HA -0.181 4.156 4.340 -0.005 0.000 0.209 24 L C 2.786 179.638 176.870 -0.029 0.000 1.083 24 L CA 1.683 56.504 54.840 -0.032 0.000 0.752 24 L CB -0.534 41.511 42.059 -0.024 0.000 0.899 24 L HN 0.261 nan 8.230 nan 0.000 0.433 25 R N -0.695 119.792 120.500 -0.022 0.000 2.057 25 R HA -0.099 4.238 4.340 -0.005 0.000 0.224 25 R C 2.283 178.571 176.300 -0.020 0.000 1.136 25 R CA 0.774 56.862 56.100 -0.019 0.000 0.968 25 R CB -0.307 29.984 30.300 -0.016 0.000 0.863 25 R HN 0.313 nan 8.270 nan 0.000 0.433 26 Q N -0.553 119.236 119.800 -0.018 0.000 2.173 26 Q HA -0.211 4.126 4.340 -0.005 0.000 0.208 26 Q C 0.867 176.854 176.000 -0.022 0.000 0.989 26 Q CA 2.161 57.954 55.803 -0.017 0.000 0.872 26 Q CB 0.121 28.851 28.738 -0.013 0.000 0.909 26 Q HN 0.454 nan 8.270 nan 0.000 0.420 27 F N -0.612 119.320 119.950 -0.029 0.000 2.850 27 F HA 0.746 5.270 4.527 -0.005 0.000 0.329 27 F C 0.483 176.254 175.800 -0.048 0.000 1.182 27 F CA -0.316 57.661 58.000 -0.039 0.000 1.270 27 F CB -0.509 38.463 39.000 -0.046 0.000 0.979 27 F HN 0.228 nan 8.300 nan 0.000 0.506 28 A N 0.016 122.813 122.820 -0.038 0.000 2.409 28 A HA 0.504 4.822 4.320 -0.005 0.000 0.246 28 A C 1.447 179.008 177.584 -0.039 0.000 1.099 28 A CA 1.070 53.085 52.037 -0.037 0.000 0.789 28 A CB -0.673 18.312 19.000 -0.024 0.000 1.053 28 A HN 2.213 nan 8.150 nan 0.000 0.503 29 E N -1.333 118.845 120.200 -0.037 0.000 3.065 29 E HA -0.236 4.112 4.350 -0.005 0.000 0.277 29 E C -0.013 176.557 176.600 -0.049 0.000 1.008 29 E CA 2.085 58.463 56.400 -0.036 0.000 0.864 29 E CB -2.348 nan 29.700 nan 0.000 1.439 29 E HN 0.952 nan 8.360 nan 0.000 0.445 30 E N -0.780 119.379 120.200 -0.068 0.000 2.312 30 E HA 0.450 4.797 4.350 -0.005 0.000 0.267 30 E C -0.742 175.775 176.600 -0.138 0.000 0.894 30 E CA -0.656 55.691 56.400 -0.088 0.000 0.773 30 E CB 1.101 30.750 29.700 -0.084 0.000 1.241 30 E HN 0.455 nan 8.360 nan 0.000 0.432 31 E N 1.517 121.620 120.200 -0.162 0.000 2.366 31 E HA 0.162 4.510 4.350 -0.005 0.000 0.266 31 E C -0.890 175.368 176.600 -0.571 0.000 1.015 31 E CA 0.055 56.295 56.400 -0.265 0.000 0.906 31 E CB 0.773 30.391 29.700 -0.136 0.000 0.979 31 E HN 0.290 nan 8.360 nan 0.000 0.443 32 C N 3.120 121.969 119.300 -0.752 0.000 2.797 32 C HA 0.518 4.975 4.460 -0.005 0.000 0.306 32 C C -1.426 172.874 174.990 -1.149 0.000 1.207 32 C CA -0.833 57.642 59.018 -0.905 0.000 1.507 32 C CB 0.597 28.110 27.740 -0.377 0.000 2.028 32 C HN 0.685 nan 8.230 nan 0.000 0.475 33 Y N 1.195 121.254 120.300 -0.403 0.000 2.354 33 Y HA 0.643 5.191 4.550 -0.004 0.000 0.330 33 Y C -0.343 175.425 175.900 -0.219 0.000 1.011 33 Y CA -1.000 56.666 58.100 -0.724 0.000 1.099 33 Y CB 0.798 38.441 38.460 -1.363 0.000 1.179 33 Y HN 0.293 nan 8.280 nan 0.000 0.442 34 V N 3.937 124.033 119.914 0.304 0.000 2.495 34 V HA 0.449 4.566 4.120 -0.005 0.000 0.298 34 V C -1.352 175.263 176.094 0.868 0.000 1.031 34 V CA -1.029 61.607 62.300 0.560 0.000 0.871 34 V CB 1.817 33.914 31.823 0.457 0.000 0.988 34 V HN 0.704 nan 8.190 nan 0.000 0.432 35 Y N 2.760 123.450 120.300 0.649 0.000 2.386 35 Y HA 0.449 4.996 4.550 -0.005 0.000 0.334 35 Y C -0.246 175.796 175.900 0.238 0.000 1.002 35 Y CA -0.660 57.726 58.100 0.477 0.000 1.068 35 Y CB 1.838 40.541 38.460 0.405 0.000 1.203 35 Y HN 0.721 nan 8.280 nan 0.000 0.443 36 E N 6.348 126.238 120.200 -0.516 0.000 2.109 36 E HA 0.342 4.689 4.350 -0.005 0.000 0.278 36 E C -1.078 175.153 176.600 -0.615 0.000 0.954 36 E CA -0.772 55.041 56.400 -0.979 0.000 0.779 36 E CB 0.791 29.401 29.700 -1.816 0.000 1.093 36 E HN 0.716 nan 8.360 nan 0.000 0.401 37 R N 4.565 124.945 120.500 -0.201 0.000 2.472 37 R HA 0.343 4.680 4.340 -0.005 0.000 0.294 37 R C -2.605 173.711 176.300 0.027 0.000 1.243 37 R CA -1.377 54.701 56.100 -0.036 0.000 1.023 37 R CB 1.642 32.065 30.300 0.204 0.000 1.157 37 R HN 0.390 nan 8.270 nan 0.000 0.530 38 P HA -0.011 nan 4.420 nan 0.000 0.263 38 P C -1.975 175.385 177.300 0.100 0.000 1.175 38 P CA -0.647 62.481 63.100 0.047 0.000 0.761 38 P CB 0.226 31.949 31.700 0.039 0.000 0.794 39 P HA 0.253 nan 4.420 nan 0.000 0.253 39 P C -0.702 176.779 177.300 0.300 0.000 1.459 39 P CA 0.200 63.430 63.100 0.216 0.000 0.908 39 P CB -0.522 31.300 31.700 0.203 0.000 1.470 40 C N -1.076 118.323 119.300 0.166 0.000 2.779 40 C HA 0.608 5.065 4.460 -0.005 0.000 0.314 40 C C -0.541 174.422 174.990 -0.045 0.000 1.231 40 C CA -0.639 58.388 59.018 0.016 0.000 1.652 40 C CB 0.884 28.490 27.740 -0.223 0.000 2.198 40 C HN 0.222 nan 8.230 nan 0.000 0.483 41 W N 0.510 121.680 121.300 -0.217 0.000 2.627 41 W HA 0.633 5.291 4.660 -0.003 0.000 0.339 41 W C -0.952 175.473 176.519 -0.155 0.000 1.058 41 W CA -0.229 57.075 57.345 -0.069 0.000 1.223 41 W CB 0.762 30.130 29.460 -0.153 0.000 1.389 41 W HN 0.542 nan 8.180 nan 0.000 0.541 42 Y N 3.068 123.673 120.300 0.510 0.000 2.350 42 Y HA 0.602 5.150 4.550 -0.004 0.000 0.338 42 Y C -0.439 175.785 175.900 0.541 0.000 0.961 42 Y CA -1.168 57.230 58.100 0.497 0.000 1.100 42 Y CB 1.430 40.159 38.460 0.448 0.000 1.179 42 Y HN 0.179 nan 8.280 nan 0.000 0.454 43 L N 3.105 124.653 121.223 0.542 0.000 2.343 43 L HA 0.883 5.220 4.340 -0.005 0.000 0.278 43 L C -0.172 176.778 176.870 0.133 0.000 0.996 43 L CA -0.346 54.690 54.840 0.326 0.000 0.831 43 L CB 1.176 43.408 42.059 0.288 0.000 1.232 43 L HN 0.822 nan 8.230 nan 0.000 0.413 44 G N 3.553 112.257 108.800 -0.161 0.000 2.400 44 G HA2 0.505 4.463 3.960 -0.005 0.000 0.333 44 G HA3 0.505 4.463 3.960 -0.005 0.000 0.333 44 G C -1.656 173.064 174.900 -0.301 0.000 1.143 44 G CA -0.514 44.403 45.100 -0.306 0.000 0.914 44 G HN 0.572 nan 8.290 nan 0.000 0.480 45 K N 0.941 121.228 120.400 -0.187 0.000 2.464 45 K HA 0.616 4.933 4.320 -0.005 0.000 0.253 45 K C 0.547 177.074 176.600 -0.121 0.000 0.933 45 K CA 0.318 56.467 56.287 -0.231 0.000 0.801 45 K CB 1.761 34.176 32.500 -0.142 0.000 1.271 45 K HN 1.432 nan 8.250 nan 0.000 0.430 46 G N 1.339 110.050 108.800 -0.148 0.000 2.598 46 G HA2 -0.270 3.687 3.960 -0.005 0.000 0.244 46 G HA3 -0.270 3.687 3.960 -0.005 0.000 0.244 46 G C -1.006 173.927 174.900 0.055 0.000 1.302 46 G CA -0.202 44.869 45.100 -0.048 0.000 0.903 46 G HN 1.146 nan 8.290 nan 0.000 0.575 47 C N -0.701 118.617 119.300 0.030 0.000 2.968 47 C HA 0.685 5.143 4.460 -0.005 0.000 0.389 47 C C 0.913 175.895 174.990 -0.013 0.000 1.068 47 C CA 0.606 59.640 59.018 0.027 0.000 1.272 47 C CB 0.573 28.318 27.740 0.008 0.000 1.711 47 C HN 1.110 nan 8.230 nan 0.000 0.501 48 Q N 3.313 123.112 119.800 -0.003 0.000 2.339 48 Q HA 0.485 4.822 4.340 -0.005 0.000 0.205 48 Q C 0.545 176.517 176.000 -0.046 0.000 0.925 48 Q CA 1.166 56.962 55.803 -0.011 0.000 0.898 48 Q CB 0.593 29.342 28.738 0.018 0.000 1.013 48 Q HN 0.974 nan 8.270 nan 0.000 0.504 49 A N 0.397 123.195 122.820 -0.037 0.000 2.589 49 A HA 0.695 5.013 4.320 -0.005 0.000 0.296 49 A C -1.456 176.145 177.584 0.029 0.000 1.062 49 A CA -0.729 51.247 52.037 -0.101 0.000 0.686 49 A CB 1.650 20.648 19.000 -0.003 0.000 1.282 49 A HN 0.215 nan 8.150 nan 0.000 0.404 50 R N 1.218 121.612 120.500 -0.177 0.000 2.584 50 R HA 0.617 4.954 4.340 -0.005 0.000 0.276 50 R C -2.303 173.740 176.300 -0.429 0.000 1.046 50 R CA -0.669 55.274 56.100 -0.262 0.000 0.906 50 R CB 1.532 31.680 30.300 -0.254 0.000 1.215 50 R HN 0.856 nan 8.270 nan 0.000 0.449 51 L N 4.120 124.877 121.223 -0.777 0.000 2.296 51 L HA 0.469 4.806 4.340 -0.005 0.000 0.286 51 L C -1.267 175.392 176.870 -0.352 0.000 1.023 51 L CA -0.192 54.305 54.840 -0.571 0.000 0.812 51 L CB 1.251 42.878 42.059 -0.720 0.000 1.223 51 L HN 0.679 nan 8.230 nan 0.000 0.421 52 H N 6.550 125.438 119.070 -0.303 0.000 2.547 52 H HA 0.440 4.994 4.556 -0.004 0.000 0.342 52 H C -1.514 173.731 175.328 -0.140 0.000 1.048 52 H CA -0.758 55.170 56.048 -0.201 0.000 1.204 52 H CB 1.500 31.160 29.762 -0.170 0.000 1.493 52 H HN 0.483 nan 8.280 nan 0.000 0.511 53 I N 5.416 125.695 120.570 -0.484 0.000 2.404 53 I HA 0.063 4.231 4.170 -0.005 0.000 0.293 53 I C 0.495 176.350 176.117 -0.437 0.000 0.992 53 I CA -0.833 60.285 61.300 -0.303 0.000 1.149 53 I CB 1.066 38.950 38.000 -0.193 0.000 1.315 53 I HN 0.661 nan 8.210 nan 0.000 0.446 54 N N 5.022 123.614 118.700 -0.180 0.000 2.327 54 N HA 0.209 4.946 4.740 -0.005 0.000 0.257 54 N C 0.904 176.420 175.510 0.009 0.000 1.281 54 N CA -0.155 52.868 53.050 -0.046 0.000 0.942 54 N CB 0.407 38.978 38.487 0.140 0.000 1.199 54 N HN 0.584 nan 8.380 nan 0.000 0.532 55 A N -0.520 122.360 122.820 0.101 0.000 1.978 55 A HA -0.206 4.112 4.320 -0.005 0.000 0.220 55 A C 0.975 178.704 177.584 0.241 0.000 1.170 55 A CA 1.990 54.128 52.037 0.168 0.000 0.636 55 A CB -0.840 18.278 19.000 0.197 0.000 0.810 55 A HN 0.861 nan 8.150 nan 0.000 0.448 56 D N -2.614 117.909 120.400 0.205 0.000 2.363 56 D HA 0.317 4.955 4.640 -0.005 0.000 0.214 56 D C 1.009 177.493 176.300 0.306 0.000 1.093 56 D CA 0.496 54.657 54.000 0.268 0.000 0.837 56 D CB -0.763 40.088 40.800 0.085 0.000 0.948 56 D HN 0.692 nan 8.370 nan 0.000 0.507 57 G N 0.825 109.705 108.800 0.132 0.000 2.249 57 G HA2 -0.330 3.628 3.960 -0.005 0.000 0.273 57 G HA3 -0.330 3.628 3.960 -0.005 0.000 0.273 57 G C 0.921 175.891 174.900 0.115 0.000 1.036 57 G CA 1.064 46.105 45.100 -0.100 0.000 0.824 57 G HN 0.611 nan 8.290 nan 0.000 0.504 58 T N -4.107 110.515 114.554 0.113 0.000 3.014 58 T HA 0.424 4.771 4.350 -0.005 0.000 0.250 58 T C 0.693 175.448 174.700 0.091 0.000 1.060 58 T CA 0.798 62.967 62.100 0.116 0.000 1.040 58 T CB 0.541 69.463 68.868 0.091 0.000 0.971 58 T HN 0.485 nan 8.240 nan 0.000 0.497 59 Q N 0.587 120.433 119.800 0.077 0.000 2.304 59 Q HA 0.694 5.031 4.340 -0.005 0.000 0.270 59 Q C -1.667 174.375 176.000 0.070 0.000 1.035 59 Q CA -0.864 54.987 55.803 0.080 0.000 0.781 59 Q CB 2.504 31.292 28.738 0.082 0.000 1.261 59 Q HN 0.388 nan 8.270 nan 0.000 0.444 60 A N 2.068 124.938 122.820 0.084 0.000 2.258 60 A HA 0.640 4.957 4.320 -0.005 0.000 0.316 60 A C -0.481 177.118 177.584 0.024 0.000 1.279 60 A CA -0.404 51.673 52.037 0.066 0.000 0.876 60 A CB 0.767 19.849 19.000 0.135 0.000 1.170 60 A HN 0.545 nan 8.150 nan 0.000 0.520 61 T N 2.684 117.218 114.554 -0.034 0.000 2.770 61 T HA 0.463 4.810 4.350 -0.005 0.000 0.283 61 T C -0.793 173.726 174.700 -0.303 0.000 0.988 61 T CA -0.038 61.981 62.100 -0.135 0.000 0.957 61 T CB 0.427 69.247 68.868 -0.079 0.000 0.930 61 T HN 0.462 nan 8.240 nan 0.000 0.443 62 F N 5.044 124.566 119.950 -0.714 0.000 2.420 62 F HA 0.670 5.195 4.527 -0.005 0.000 0.342 62 F C -0.813 174.747 175.800 -0.399 0.000 1.113 62 F CA -1.290 56.238 58.000 -0.787 0.000 1.059 62 F CB 0.520 38.605 39.000 -1.526 0.000 1.128 62 F HN 0.396 nan 8.300 nan 0.000 0.475 63 I N 6.088 126.017 120.570 -1.069 0.000 2.466 63 I HA 0.340 4.507 4.170 -0.005 0.000 0.289 63 I C -1.357 174.145 176.117 -1.026 0.000 1.026 63 I CA -0.689 60.126 61.300 -0.809 0.000 1.078 63 I CB 1.758 39.498 38.000 -0.433 0.000 1.249 63 I HN 0.579 nan 8.210 nan 0.000 0.429 64 D N 3.033 123.046 120.400 -0.645 0.000 2.837 64 D HA 0.235 4.872 4.640 -0.005 0.000 0.294 64 D C 0.239 176.466 176.300 -0.121 0.000 1.158 64 D CA -0.476 53.332 54.000 -0.320 0.000 1.073 64 D CB 0.564 41.285 40.800 -0.130 0.000 1.419 64 D HN 0.241 nan 8.370 nan 0.000 0.584 65 D N -0.504 119.873 120.400 -0.039 0.000 2.182 65 D HA -0.062 4.576 4.640 -0.005 0.000 0.201 65 D C 1.734 178.040 176.300 0.009 0.000 0.986 65 D CA 1.861 55.853 54.000 -0.013 0.000 0.847 65 D CB -0.387 40.418 40.800 0.009 0.000 0.942 65 D HN 0.508 nan 8.370 nan 0.000 0.467 66 A N -0.283 122.564 122.820 0.044 0.000 2.119 66 A HA 0.442 4.759 4.320 -0.005 0.000 0.216 66 A C 1.269 178.885 177.584 0.052 0.000 1.152 66 A CA 1.369 53.444 52.037 0.064 0.000 0.708 66 A CB 0.042 19.108 19.000 0.111 0.000 0.805 66 A HN 0.361 nan 8.150 nan 0.000 0.460 67 G N -1.251 107.563 108.800 0.023 0.000 2.325 67 G HA2 0.245 4.202 3.960 -0.005 0.000 0.285 67 G HA3 0.245 4.202 3.960 -0.005 0.000 0.285 67 G C -1.030 173.856 174.900 -0.024 0.000 1.303 67 G CA -0.202 44.900 45.100 0.003 0.000 0.970 67 G HN 0.433 nan 8.290 nan 0.000 0.490 68 E N -0.150 120.040 120.200 -0.017 0.000 2.179 68 E HA 0.640 4.987 4.350 -0.005 0.000 0.275 68 E C -0.380 176.246 176.600 0.044 0.000 0.945 68 E CA -0.442 55.934 56.400 -0.040 0.000 0.792 68 E CB 1.084 30.743 29.700 -0.067 0.000 1.125 68 E HN 0.482 nan 8.360 nan 0.000 0.397 69 Q N 2.367 122.202 119.800 0.059 0.000 2.413 69 Q HA 0.418 4.756 4.340 -0.005 0.000 0.276 69 Q C -1.111 174.917 176.000 0.047 0.000 1.099 69 Q CA -1.249 54.637 55.803 0.138 0.000 0.814 69 Q CB 2.040 30.984 28.738 0.343 0.000 1.379 69 Q HN 0.254 nan 8.270 nan 0.000 0.436 70 K N 1.159 121.650 120.400 0.152 0.000 2.235 70 K HA 0.386 4.704 4.320 -0.005 0.000 0.266 70 K C -1.220 175.610 176.600 0.383 0.000 0.980 70 K CA -0.272 56.111 56.287 0.160 0.000 0.849 70 K CB 1.025 33.598 32.500 0.121 0.000 1.098 70 K HN 0.449 nan 8.250 nan 0.000 0.445 71 W N 0.627 121.968 121.300 0.069 0.000 2.627 71 W HA 0.471 5.128 4.660 -0.005 0.000 0.339 71 W C 0.238 176.778 176.519 0.036 0.000 1.058 71 W CA -1.615 55.758 57.345 0.046 0.000 1.223 71 W CB 1.030 30.519 29.460 0.048 0.000 1.389 71 W HN 0.592 nan 8.180 nan 0.000 0.541 72 A N 1.860 124.804 122.820 0.206 0.000 2.546 72 A HA 0.287 4.605 4.320 -0.005 0.000 0.243 72 A C 0.153 177.819 177.584 0.135 0.000 1.063 72 A CA 0.010 52.122 52.037 0.124 0.000 0.757 72 A CB 0.486 19.517 19.000 0.053 0.000 0.991 72 A HN 0.692 nan 8.150 nan 0.000 0.503 73 V N 3.159 123.148 119.914 0.125 0.000 2.915 73 V HA 0.096 4.214 4.120 -0.005 0.000 0.364 73 V C 0.574 176.752 176.094 0.141 0.000 1.354 73 V CA 0.009 62.388 62.300 0.131 0.000 1.213 73 V CB -0.503 31.392 31.823 0.121 0.000 1.268 73 V HN 0.965 nan 8.190 nan 0.000 0.557 74 D N 0.794 121.255 120.400 0.101 0.000 2.218 74 D HA -0.066 4.572 4.640 -0.005 0.000 0.204 74 D C 0.942 177.296 176.300 0.089 0.000 0.976 74 D CA 1.326 55.375 54.000 0.081 0.000 0.853 74 D CB 0.467 41.292 40.800 0.042 0.000 0.939 74 D HN 0.527 nan 8.370 nan 0.000 0.481 75 S N -0.504 115.252 115.700 0.094 0.000 2.736 75 S HA 0.290 4.758 4.470 -0.005 0.000 0.285 75 S C 0.813 175.472 174.600 0.099 0.000 1.163 75 S CA -0.739 57.515 58.200 0.091 0.000 1.025 75 S CB 0.765 63.994 63.200 0.049 0.000 1.030 75 S HN -0.060 nan 8.310 nan 0.000 0.486 76 I N 3.963 124.616 120.570 0.138 0.000 2.286 76 I HA -0.116 4.051 4.170 -0.005 0.000 0.248 76 I C 2.730 178.888 176.117 0.068 0.000 1.115 76 I CA 1.501 62.873 61.300 0.120 0.000 1.392 76 I CB -0.401 37.716 38.000 0.195 0.000 1.065 76 I HN 0.793 nan 8.210 nan 0.000 0.418 77 A N 0.556 123.447 122.820 0.119 0.000 1.908 77 A HA -0.248 4.069 4.320 -0.005 0.000 0.218 77 A C 1.953 179.444 177.584 -0.155 0.000 1.181 77 A CA 2.116 54.158 52.037 0.008 0.000 0.627 77 A CB -0.533 18.580 19.000 0.188 0.000 0.818 77 A HN 0.346 nan 8.150 nan 0.000 0.445 78 D N -0.572 119.796 120.400 -0.054 0.000 2.149 78 D HA -0.092 4.545 4.640 -0.005 0.000 0.201 78 D C 2.041 178.290 176.300 -0.085 0.000 0.972 78 D CA 1.210 55.167 54.000 -0.071 0.000 0.835 78 D CB -0.617 40.166 40.800 -0.030 0.000 0.966 78 D HN 0.449 nan 8.370 nan 0.000 0.476 79 C N 1.292 120.578 119.300 -0.023 0.000 2.413 79 C HA -0.113 4.344 4.460 -0.005 0.000 0.276 79 C C 2.938 177.943 174.990 0.024 0.000 1.236 79 C CA 0.956 60.028 59.018 0.090 0.000 1.735 79 C CB -1.020 26.808 27.740 0.146 0.000 2.031 79 C HN 0.371 nan 8.230 nan 0.000 0.474 80 A N 0.474 123.129 122.820 -0.274 0.000 1.902 80 A HA -0.193 4.124 4.320 -0.005 0.000 0.217 80 A C 2.215 179.497 177.584 -0.504 0.000 1.181 80 A CA 1.568 53.241 52.037 -0.606 0.000 0.623 80 A CB -0.548 17.533 19.000 -1.533 0.000 0.818 80 A HN 0.672 nan 8.150 nan 0.000 0.443 81 R N -1.078 119.097 120.500 -0.541 0.000 2.081 81 R HA -0.118 4.219 4.340 -0.005 0.000 0.235 81 R C 2.532 178.804 176.300 -0.048 0.000 1.131 81 R CA 1.580 57.547 56.100 -0.221 0.000 0.960 81 R CB -0.308 29.910 30.300 -0.138 0.000 0.856 81 R HN 0.561 nan 8.270 nan 0.000 0.436 82 R N 0.011 120.478 120.500 -0.055 0.000 2.081 82 R HA -0.162 4.175 4.340 -0.005 0.000 0.235 82 R C 2.055 178.421 176.300 0.109 0.000 1.131 82 R CA 1.470 57.519 56.100 -0.085 0.000 0.960 82 R CB -0.281 29.831 30.300 -0.313 0.000 0.856 82 R HN 0.152 nan 8.270 nan 0.000 0.436 83 F N 0.843 120.910 119.950 0.195 0.000 2.102 83 F HA -0.231 4.293 4.527 -0.005 0.000 0.298 83 F C 2.061 177.968 175.800 0.178 0.000 1.105 83 F CA 1.551 59.719 58.000 0.281 0.000 1.239 83 F CB -0.074 39.045 39.000 0.198 0.000 0.991 83 F HN -0.006 nan 8.300 nan 0.000 0.474 84 M N 0.050 119.761 119.600 0.185 0.000 2.296 84 M HA -0.061 4.416 4.480 -0.005 0.000 0.265 84 M C 2.296 178.608 176.300 0.020 0.000 1.064 84 M CA 1.431 56.792 55.300 0.103 0.000 1.109 84 M CB -1.961 30.784 32.600 0.241 0.000 1.396 84 M HN 0.317 nan 8.290 nan 0.000 0.430 85 A N -1.414 121.419 122.820 0.021 0.000 2.169 85 A HA -0.043 4.274 4.320 -0.005 0.000 0.212 85 A C 1.080 178.634 177.584 -0.050 0.000 1.153 85 A CA 0.009 52.035 52.037 -0.017 0.000 0.756 85 A CB -0.797 18.184 19.000 -0.032 0.000 0.813 85 A HN 0.446 nan 8.150 nan 0.000 0.471 86 H N 1.075 120.057 119.070 -0.147 0.000 2.897 86 H HA 0.053 4.606 4.556 -0.005 0.000 0.347 86 H C -1.486 173.768 175.328 -0.123 0.000 1.068 86 H CA -0.830 55.121 56.048 -0.162 0.000 1.426 86 H CB 1.165 30.802 29.762 -0.209 0.000 1.410 86 H HN 0.081 nan 8.280 nan 0.000 0.597 87 P HA -0.166 nan 4.420 nan 0.000 0.218 87 P C 0.963 178.297 177.300 0.056 0.000 1.148 87 P CA 1.116 64.126 63.100 -0.150 0.000 0.822 87 P CB 0.370 31.934 31.700 -0.226 0.000 0.784 88 Q N -0.862 119.150 119.800 0.353 0.000 2.482 88 Q HA 0.042 4.379 4.340 -0.005 0.000 0.209 88 Q C 1.764 177.815 176.000 0.084 0.000 0.961 88 Q CA 0.580 56.536 55.803 0.255 0.000 0.945 88 Q CB 0.001 28.940 28.738 0.334 0.000 1.012 88 Q HN 0.254 nan 8.270 nan 0.000 0.515 89 V N -0.888 119.036 119.914 0.016 0.000 3.137 89 V HA 0.080 4.198 4.120 -0.005 0.000 0.236 89 V C 0.860 176.910 176.094 -0.074 0.000 1.260 89 V CA -0.094 62.123 62.300 -0.138 0.000 1.244 89 V CB 0.376 31.904 31.823 -0.493 0.000 1.016 89 V HN 0.048 nan 8.190 nan 0.000 0.477 90 K N 1.064 121.434 120.400 -0.050 0.000 2.484 90 K HA 0.273 4.591 4.320 -0.005 0.000 0.280 90 K C 1.153 177.739 176.600 -0.024 0.000 1.013 90 K CA 1.113 57.380 56.287 -0.034 0.000 1.029 90 K CB 0.296 32.777 32.500 -0.031 0.000 0.902 90 K HN 0.565 nan 8.250 nan 0.000 0.481 91 G N 3.109 111.895 108.800 -0.022 0.000 2.176 91 G HA2 -0.205 3.753 3.960 -0.005 0.000 0.253 91 G HA3 -0.205 3.753 3.960 -0.005 0.000 0.253 91 G C -0.092 174.792 174.900 -0.026 0.000 0.979 91 G CA -0.183 44.904 45.100 -0.021 0.000 0.641 91 G HN 0.525 nan 8.290 nan 0.000 0.530 92 R N -0.091 120.393 120.500 -0.027 0.000 2.732 92 R HA 0.574 4.912 4.340 -0.005 0.000 0.278 92 R C 0.394 176.675 176.300 -0.033 0.000 0.976 92 R CA -1.050 55.038 56.100 -0.021 0.000 0.963 92 R CB 1.109 31.410 30.300 0.001 0.000 1.150 92 R HN 0.332 nan 8.270 nan 0.000 0.478 93 R N 0.917 121.398 120.500 -0.031 0.000 2.438 93 R HA 0.271 4.608 4.340 -0.005 0.000 0.287 93 R C -0.772 175.515 176.300 -0.022 0.000 1.077 93 R CA -0.164 55.881 56.100 -0.091 0.000 1.034 93 R CB 0.653 30.885 30.300 -0.114 0.000 0.993 93 R HN 0.248 nan 8.270 nan 0.000 0.459 94 V N 5.574 125.408 119.914 -0.134 0.000 2.495 94 V HA 0.305 4.422 4.120 -0.005 0.000 0.298 94 V C -1.146 174.809 176.094 -0.230 0.000 1.031 94 V CA -0.735 61.547 62.300 -0.032 0.000 0.871 94 V CB 1.440 33.286 31.823 0.038 0.000 0.988 94 V HN 0.637 nan 8.190 nan 0.000 0.432 95 Y N 2.634 122.792 120.300 -0.237 0.000 2.328 95 Y HA 0.767 5.315 4.550 -0.004 0.000 0.337 95 Y C 0.754 176.565 175.900 -0.150 0.000 1.008 95 Y CA -0.495 57.465 58.100 -0.233 0.000 1.129 95 Y CB 1.927 40.104 38.460 -0.471 0.000 1.185 95 Y HN 0.746 nan 8.280 nan 0.000 0.476 96 G N 2.156 111.002 108.800 0.077 0.000 2.658 96 G HA2 0.675 4.632 3.960 -0.005 0.000 0.292 96 G HA3 0.675 4.632 3.960 -0.005 0.000 0.292 96 G C -1.807 173.087 174.900 -0.010 0.000 1.320 96 G CA -1.032 44.063 45.100 -0.009 0.000 0.933 96 G HN 0.571 nan 8.290 nan 0.000 0.476 97 Q N -1.165 118.596 119.800 -0.065 0.000 2.345 97 Q HA 0.683 5.020 4.340 -0.005 0.000 0.275 97 Q C -1.996 173.943 176.000 -0.102 0.000 1.063 97 Q CA -0.950 54.793 55.803 -0.099 0.000 0.819 97 Q CB 2.676 31.412 28.738 -0.003 0.000 1.356 97 Q HN 0.431 nan 8.270 nan 0.000 0.418 98 V N 1.524 121.390 119.914 -0.080 0.000 2.482 98 V HA 0.642 4.759 4.120 -0.005 0.000 0.295 98 V C 0.365 176.507 176.094 0.080 0.000 1.026 98 V CA -0.323 61.896 62.300 -0.136 0.000 0.856 98 V CB 1.445 33.044 31.823 -0.373 0.000 1.001 98 V HN 0.908 nan 8.190 nan 0.000 0.424 99 G N 1.544 110.420 108.800 0.126 0.000 2.539 99 G HA2 0.335 4.292 3.960 -0.005 0.000 0.258 99 G HA3 0.335 4.292 3.960 -0.005 0.000 0.258 99 G C 0.386 175.522 174.900 0.393 0.000 1.202 99 G CA -0.195 45.050 45.100 0.242 0.000 0.851 99 G HN 0.652 nan 8.290 nan 0.000 0.556 100 F N 1.467 121.541 119.950 0.207 0.000 2.063 100 F HA -0.231 4.293 4.527 -0.005 0.000 0.298 100 F C 2.159 178.063 175.800 0.173 0.000 1.109 100 F CA 2.132 60.238 58.000 0.176 0.000 1.212 100 F CB -0.001 39.016 39.000 0.028 0.000 0.973 100 F HN 0.367 nan 8.300 nan 0.000 0.480 101 N N 0.235 118.856 118.700 -0.132 0.000 2.609 101 N HA -0.173 4.564 4.740 -0.005 0.000 0.190 101 N C 1.676 176.914 175.510 -0.453 0.000 1.157 101 N CA 0.758 53.499 53.050 -0.514 0.000 0.918 101 N CB -0.885 37.276 38.487 -0.543 0.000 0.978 101 N HN 0.482 nan 8.380 nan 0.000 0.448 102 F N 1.797 121.609 119.950 -0.229 0.000 2.161 102 F HA -0.203 4.321 4.527 -0.005 0.000 0.300 102 F C 2.086 177.812 175.800 -0.124 0.000 1.089 102 F CA 1.269 59.162 58.000 -0.179 0.000 1.282 102 F CB -0.137 38.722 39.000 -0.235 0.000 1.010 102 F HN 0.062 nan 8.300 nan 0.000 0.485 103 A N 0.741 123.521 122.820 -0.067 0.000 1.858 103 A HA -0.090 4.227 4.320 -0.005 0.000 0.216 103 A C 2.474 179.857 177.584 -0.336 0.000 1.190 103 A CA 2.058 53.994 52.037 -0.168 0.000 0.617 103 A CB -1.672 17.240 19.000 -0.147 0.000 0.827 103 A HN 0.541 nan 8.150 nan 0.000 0.443 104 A N -1.405 121.162 122.820 -0.422 0.000 1.902 104 A HA -0.238 4.080 4.320 -0.005 0.000 0.217 104 A C 2.164 179.613 177.584 -0.225 0.000 1.181 104 A CA 1.849 53.697 52.037 -0.315 0.000 0.623 104 A CB -1.036 17.765 19.000 -0.332 0.000 0.818 104 A HN 0.744 nan 8.150 nan 0.000 0.443 105 H N 0.104 118.903 119.070 -0.451 0.000 2.290 105 H HA -0.148 4.406 4.556 -0.004 0.000 0.298 105 H C 2.327 177.510 175.328 -0.242 0.000 1.087 105 H CA 2.089 58.017 56.048 -0.201 0.000 1.291 105 H CB -0.308 29.329 29.762 -0.208 0.000 1.369 105 H HN 0.406 nan 8.280 nan 0.000 0.492 106 A N 0.881 123.507 122.820 -0.324 0.000 2.019 106 A HA -0.141 4.176 4.320 -0.005 0.000 0.219 106 A C 2.491 179.946 177.584 -0.215 0.000 1.164 106 A CA 1.395 53.232 52.037 -0.333 0.000 0.644 106 A CB -0.378 18.258 19.000 -0.608 0.000 0.805 106 A HN 0.421 nan 8.150 nan 0.000 0.449 107 R N -1.648 118.731 120.500 -0.202 0.000 2.300 107 R HA 0.218 4.555 4.340 -0.005 0.000 0.199 107 R C 1.184 177.422 176.300 -0.103 0.000 0.920 107 R CA 0.524 56.544 56.100 -0.134 0.000 1.046 107 R CB 0.015 30.239 30.300 -0.126 0.000 0.984 107 R HN 0.622 nan 8.270 nan 0.000 0.493 108 G N 1.672 110.401 108.800 -0.120 0.000 2.225 108 G HA2 -0.280 3.678 3.960 -0.005 0.000 0.267 108 G HA3 -0.280 3.678 3.960 -0.005 0.000 0.267 108 G C 0.051 174.925 174.900 -0.043 0.000 1.024 108 G CA 0.074 45.121 45.100 -0.089 0.000 0.784 108 G HN 0.250 nan 8.290 nan 0.000 0.507 109 I N 0.975 121.531 120.570 -0.022 0.000 2.353 109 I HA 0.550 4.718 4.170 -0.005 0.000 0.293 109 I C 1.045 177.236 176.117 0.122 0.000 0.992 109 I CA -0.529 60.783 61.300 0.021 0.000 1.268 109 I CB 1.578 39.573 38.000 -0.008 0.000 1.387 109 I HN 0.292 nan 8.210 nan 0.000 0.478 110 A N 7.028 129.902 122.820 0.089 0.000 2.445 110 A HA 0.570 4.887 4.320 -0.005 0.000 0.242 110 A C -0.586 177.117 177.584 0.197 0.000 1.075 110 A CA 0.258 52.347 52.037 0.086 0.000 0.777 110 A CB 0.041 19.040 19.000 -0.002 0.000 1.013 110 A HN 0.651 nan 8.150 nan 0.000 0.493 111 F N -0.387 119.566 119.950 0.005 0.000 2.668 111 F HA 0.540 5.064 4.527 -0.005 0.000 0.309 111 F C -0.902 174.923 175.800 0.041 0.000 1.117 111 F CA -1.488 56.527 58.000 0.026 0.000 0.951 111 F CB 1.182 40.196 39.000 0.023 0.000 1.323 111 F HN 0.370 nan 8.300 nan 0.000 0.451 112 N N 1.849 120.646 118.700 0.161 0.000 2.419 112 N HA 0.512 5.249 4.740 -0.005 0.000 0.264 112 N C -0.423 175.217 175.510 0.217 0.000 1.031 112 N CA -0.161 52.929 53.050 0.067 0.000 0.951 112 N CB 1.897 40.426 38.487 0.070 0.000 1.101 112 N HN 0.989 nan 8.380 nan 0.000 0.488 113 A N 1.827 124.717 122.820 0.116 0.000 2.477 113 A HA 0.489 4.807 4.320 -0.005 0.000 0.246 113 A C 1.060 178.769 177.584 0.208 0.000 1.078 113 A CA 0.027 52.225 52.037 0.269 0.000 0.770 113 A CB 0.083 19.187 19.000 0.174 0.000 1.011 113 A HN 0.638 nan 8.150 nan 0.000 0.494 114 G N -0.088 108.856 108.800 0.239 0.000 2.582 114 G HA2 0.419 4.376 3.960 -0.005 0.000 0.232 114 G HA3 0.419 4.376 3.960 -0.005 0.000 0.232 114 G C 0.410 175.436 174.900 0.210 0.000 1.458 114 G CA -0.077 45.132 45.100 0.182 0.000 1.062 114 G HN 0.630 nan 8.290 nan 0.000 0.566 115 E N -1.272 119.090 120.200 0.271 0.000 2.340 115 E HA 0.079 4.426 4.350 -0.005 0.000 0.198 115 E C -0.038 176.799 176.600 0.394 0.000 0.961 115 E CA -0.004 56.583 56.400 0.312 0.000 0.905 115 E CB 0.266 30.166 29.700 0.333 0.000 0.884 115 E HN 0.372 nan 8.360 nan 0.000 0.491 116 W N 3.077 124.459 121.300 0.135 0.000 2.303 116 W HA 0.285 4.943 4.660 -0.004 0.000 0.334 116 W C -1.823 174.755 176.519 0.097 0.000 1.197 116 W CA -2.515 54.913 57.345 0.138 0.000 1.262 116 W CB -0.327 29.228 29.460 0.159 0.000 1.153 116 W HN -0.182 nan 8.180 nan 0.000 0.596 117 P HA -0.032 nan 4.420 nan 0.000 0.267 117 P C 0.694 178.032 177.300 0.063 0.000 1.200 117 P CA 0.366 63.482 63.100 0.026 0.000 0.772 117 P CB 0.893 32.507 31.700 -0.144 0.000 0.855 118 L N 1.119 122.332 121.223 -0.017 0.000 2.156 118 L HA 0.064 4.401 4.340 -0.005 0.000 0.208 118 L C 1.286 178.144 176.870 -0.019 0.000 1.095 118 L CA 1.164 56.017 54.840 0.022 0.000 0.770 118 L CB -0.227 41.828 42.059 -0.007 0.000 0.914 118 L HN 0.355 nan 8.230 nan 0.000 0.439 119 L N -0.624 120.531 121.223 -0.114 0.000 2.565 119 L HA 0.361 4.698 4.340 -0.005 0.000 0.261 119 L C -0.823 175.920 176.870 -0.212 0.000 0.932 119 L CA -0.237 54.501 54.840 -0.170 0.000 0.878 119 L CB 2.254 44.192 42.059 -0.202 0.000 1.333 119 L HN -0.057 nan 8.230 nan 0.000 0.409 120 T N 2.329 116.778 114.554 -0.175 0.000 2.900 120 T HA 0.804 5.152 4.350 -0.005 0.000 0.295 120 T C -0.961 173.588 174.700 -0.252 0.000 1.044 120 T CA -0.731 61.249 62.100 -0.199 0.000 0.995 120 T CB 1.659 70.476 68.868 -0.084 0.000 1.072 120 T HN 0.521 nan 8.240 nan 0.000 0.473 121 L N 1.842 122.816 121.223 -0.414 0.000 2.438 121 L HA 0.651 4.988 4.340 -0.005 0.000 0.270 121 L C -0.453 176.127 176.870 -0.483 0.000 0.972 121 L CA -0.794 53.773 54.840 -0.454 0.000 0.831 121 L CB 2.682 44.375 42.059 -0.609 0.000 1.273 121 L HN 0.794 nan 8.230 nan 0.000 0.405 122 T N 1.812 116.217 114.554 -0.248 0.000 2.848 122 T HA 0.452 4.799 4.350 -0.005 0.000 0.285 122 T C -0.320 174.393 174.700 0.023 0.000 0.995 122 T CA -0.484 61.512 62.100 -0.174 0.000 0.970 122 T CB 2.246 70.814 68.868 -0.500 0.000 0.976 122 T HN 0.152 nan 8.240 nan 0.000 0.441 123 V N 6.904 126.913 119.914 0.159 0.000 2.385 123 V HA 0.316 4.433 4.120 -0.005 0.000 0.269 123 V C -1.812 174.315 176.094 0.056 0.000 1.043 123 V CA -1.777 60.594 62.300 0.118 0.000 0.906 123 V CB 0.671 32.557 31.823 0.105 0.000 0.995 123 V HN 0.690 nan 8.190 nan 0.000 0.467 124 P HA 0.253 nan 4.420 nan 0.000 0.276 124 P C 0.320 177.649 177.300 0.048 0.000 1.244 124 P CA -0.510 62.627 63.100 0.061 0.000 0.801 124 P CB 1.585 33.288 31.700 0.006 0.000 1.006 125 R N 0.236 120.756 120.500 0.034 0.000 2.093 125 R HA -0.002 4.336 4.340 -0.005 0.000 0.224 125 R C 0.205 176.527 176.300 0.037 0.000 1.101 125 R CA 1.238 57.354 56.100 0.027 0.000 0.979 125 R CB 0.273 30.579 30.300 0.009 0.000 0.877 125 R HN 0.542 nan 8.270 nan 0.000 0.441 126 E N -0.613 119.604 120.200 0.028 0.000 2.312 126 E HA 0.274 4.622 4.350 -0.005 0.000 0.267 126 E C -1.617 175.019 176.600 0.059 0.000 0.894 126 E CA -0.576 55.852 56.400 0.047 0.000 0.773 126 E CB 2.282 31.994 29.700 0.019 0.000 1.241 126 E HN 0.059 nan 8.360 nan 0.000 0.432 127 E N 1.976 122.248 120.200 0.121 0.000 2.291 127 E HA 0.348 4.695 4.350 -0.005 0.000 0.276 127 E C -1.510 175.214 176.600 0.207 0.000 0.896 127 E CA -0.421 56.080 56.400 0.168 0.000 0.774 127 E CB 0.919 30.736 29.700 0.196 0.000 1.227 127 E HN 0.368 nan 8.360 nan 0.000 0.413 128 L N 5.240 126.552 121.223 0.148 0.000 2.309 128 L HA 0.606 4.943 4.340 -0.005 0.000 0.282 128 L C -0.290 176.600 176.870 0.033 0.000 1.036 128 L CA -0.860 53.989 54.840 0.015 0.000 0.806 128 L CB 1.314 43.317 42.059 -0.094 0.000 1.220 128 L HN 0.485 nan 8.230 nan 0.000 0.429 129 I N 2.431 122.924 120.570 -0.128 0.000 2.447 129 I HA 0.334 4.501 4.170 -0.005 0.000 0.287 129 I C -1.068 174.762 176.117 -0.479 0.000 1.023 129 I CA -0.312 60.887 61.300 -0.168 0.000 1.083 129 I CB 1.705 39.699 38.000 -0.010 0.000 1.245 129 I HN 0.340 nan 8.210 nan 0.000 0.434 130 F N 4.876 124.515 119.950 -0.517 0.000 2.361 130 F HA 0.534 5.058 4.527 -0.005 0.000 0.364 130 F C 0.355 175.533 175.800 -1.036 0.000 1.120 130 F CA -0.386 56.995 58.000 -1.031 0.000 1.102 130 F CB 0.931 38.971 39.000 -1.600 0.000 1.183 130 F HN 0.440 nan 8.300 nan 0.000 0.476 131 E N 1.568 121.510 120.200 -0.430 0.000 2.378 131 E HA 0.442 4.790 4.350 -0.005 0.000 0.283 131 E C -0.755 176.043 176.600 0.329 0.000 0.979 131 E CA -0.528 55.920 56.400 0.080 0.000 0.795 131 E CB 1.734 31.467 29.700 0.054 0.000 1.221 131 E HN 0.518 nan 8.360 nan 0.000 0.428 132 K N 1.489 122.167 120.400 0.463 0.000 3.653 132 K HA -0.160 4.158 4.320 -0.005 0.000 0.275 132 K C 0.631 177.429 176.600 0.330 0.000 0.962 132 K CA 1.763 58.244 56.287 0.323 0.000 0.773 132 K CB -2.859 nan 32.500 nan 0.000 1.463 132 K HN 1.693 nan 8.250 nan 0.000 0.450 133 G N -0.470 108.595 108.800 0.442 0.000 2.439 133 G HA2 -0.299 3.658 3.960 -0.005 0.000 0.305 133 G HA3 -0.299 3.658 3.960 -0.005 0.000 0.305 133 G C 0.134 175.229 174.900 0.324 0.000 0.966 133 G CA 0.997 46.300 45.100 0.337 0.000 0.890 133 G HN 1.416 nan 8.290 nan 0.000 0.513 134 N N -2.407 116.475 118.700 0.304 0.000 2.455 134 N HA 0.675 5.412 4.740 -0.005 0.000 0.278 134 N C -1.208 174.133 175.510 -0.280 0.000 1.291 134 N CA -0.789 52.193 53.050 -0.115 0.000 0.780 134 N CB 2.795 40.997 38.487 -0.475 0.000 1.520 134 N HN 0.192 nan 8.380 nan 0.000 0.486 135 V N 0.393 119.996 119.914 -0.517 0.000 2.680 135 V HA 0.640 4.757 4.120 -0.005 0.000 0.309 135 V C -1.176 174.577 176.094 -0.569 0.000 1.052 135 V CA -0.037 61.836 62.300 -0.713 0.000 0.908 135 V CB 1.841 33.111 31.823 -0.921 0.000 1.001 135 V HN 0.751 nan 8.190 nan 0.000 0.431 136 T N 5.656 119.968 114.554 -0.402 0.000 2.792 136 T HA 0.586 4.933 4.350 -0.005 0.000 0.280 136 T C -0.670 173.871 174.700 -0.265 0.000 0.990 136 T CA -0.384 61.583 62.100 -0.222 0.000 0.960 136 T CB 1.463 70.341 68.868 0.017 0.000 0.939 136 T HN 0.543 nan 8.240 nan 0.000 0.439 137 V N 4.172 123.891 119.914 -0.325 0.000 2.394 137 V HA 0.461 4.579 4.120 -0.005 0.000 0.282 137 V C -1.083 174.807 176.094 -0.339 0.000 1.031 137 V CA -0.823 61.348 62.300 -0.215 0.000 0.881 137 V CB 0.308 32.043 31.823 -0.147 0.000 0.982 137 V HN 0.791 nan 8.190 nan 0.000 0.451 138 Y N 2.698 122.999 120.300 0.002 0.000 2.429 138 Y HA 0.851 5.399 4.550 -0.004 0.000 0.342 138 Y C 0.355 176.263 175.900 0.015 0.000 1.004 138 Y CA -0.450 57.662 58.100 0.019 0.000 1.075 138 Y CB 2.169 40.652 38.460 0.039 0.000 1.214 138 Y HN 0.805 nan 8.280 nan 0.000 0.455 139 A N 0.324 123.232 122.820 0.147 0.000 2.568 139 A HA 0.712 5.029 4.320 -0.005 0.000 0.291 139 A C -0.929 176.698 177.584 0.073 0.000 1.159 139 A CA -0.187 51.901 52.037 0.087 0.000 0.679 139 A CB 0.015 19.040 19.000 0.041 0.000 1.285 139 A HN 0.789 nan 8.150 nan 0.000 0.428 163 P HA 0.477 nan 4.420 nan 0.000 0.272 163 P C -0.277 177.042 177.300 0.032 0.000 1.223 163 P CA -0.065 63.061 63.100 0.044 0.000 0.784 163 P CB 0.825 32.577 31.700 0.087 0.000 0.923 164 L N -0.596 120.651 121.223 0.039 0.000 2.334 164 L HA 0.861 5.199 4.340 -0.005 0.000 0.276 164 L C -0.183 176.692 176.870 0.009 0.000 1.014 164 L CA -1.257 53.596 54.840 0.022 0.000 0.815 164 L CB 1.692 43.767 42.059 0.026 0.000 1.268 164 L HN 0.297 nan 8.230 nan 0.000 0.428 165 A N 3.249 126.071 122.820 0.002 0.000 2.401 165 A HA 0.647 4.964 4.320 -0.005 0.000 0.259 165 A C -0.279 177.302 177.584 -0.005 0.000 1.103 165 A CA -0.318 51.714 52.037 -0.008 0.000 0.789 165 A CB 0.598 19.594 19.000 -0.006 0.000 1.035 165 A HN 0.650 nan 8.150 nan 0.000 0.491 166 V N 3.367 123.272 119.914 -0.015 0.000 2.482 166 V HA 0.221 4.338 4.120 -0.005 0.000 0.295 166 V C -0.825 175.261 176.094 -0.014 0.000 1.026 166 V CA -0.681 61.614 62.300 -0.009 0.000 0.856 166 V CB 1.814 33.630 31.823 -0.011 0.000 1.001 166 V HN 0.968 nan 8.190 nan 0.000 0.424 167 D N 3.422 123.819 120.400 -0.006 0.000 2.365 167 D HA 0.172 4.810 4.640 -0.005 0.000 0.237 167 D C 1.308 177.602 176.300 -0.010 0.000 1.190 167 D CA 0.105 54.100 54.000 -0.008 0.000 0.867 167 D CB 1.604 42.403 40.800 -0.002 0.000 1.050 167 D HN 0.693 nan 8.370 nan 0.000 0.491 168 T N 0.617 115.161 114.554 -0.018 0.000 3.129 168 T HA 0.227 4.574 4.350 -0.005 0.000 0.251 168 T C 1.460 176.144 174.700 -0.026 0.000 1.117 168 T CA 0.321 62.406 62.100 -0.025 0.000 1.034 168 T CB 0.275 69.124 68.868 -0.032 0.000 0.968 168 T HN 0.244 nan 8.240 nan 0.000 0.526 169 A N 0.785 123.597 122.820 -0.013 0.000 2.030 169 A HA 0.459 4.776 4.320 -0.005 0.000 0.215 169 A C 0.931 178.517 177.584 0.002 0.000 1.164 169 A CA -0.230 51.805 52.037 -0.004 0.000 0.697 169 A CB -0.372 18.629 19.000 0.003 0.000 0.827 169 A HN 0.502 nan 8.150 nan 0.000 0.457 170 L N 1.236 122.459 121.223 0.001 0.000 2.540 170 L HA 0.073 4.410 4.340 -0.005 0.000 0.276 170 L C 0.116 176.991 176.870 0.009 0.000 1.212 170 L CA 0.984 55.828 54.840 0.007 0.000 0.893 170 L CB -0.523 41.540 42.059 0.007 0.000 1.138 170 L HN 0.543 nan 8.230 nan 0.000 0.491 171 N N 2.167 120.879 118.700 0.020 0.000 2.882 171 N HA -0.177 4.560 4.740 -0.005 0.000 0.249 171 N C 1.040 176.585 175.510 0.058 0.000 1.079 171 N CA 0.853 53.922 53.050 0.031 0.000 0.800 171 N CB -1.563 36.937 38.487 0.022 0.000 1.124 171 N HN 0.877 nan 8.380 nan 0.000 0.557 172 G N 1.074 109.907 108.800 0.056 0.000 2.446 172 G HA2 -0.263 3.694 3.960 -0.005 0.000 0.217 172 G HA3 -0.263 3.694 3.960 -0.005 0.000 0.217 172 G C 1.380 176.353 174.900 0.122 0.000 1.168 172 G CA 1.010 46.165 45.100 0.091 0.000 0.771 172 G HN 0.354 nan 8.290 nan 0.000 0.551 173 E N 1.017 121.262 120.200 0.076 0.000 2.110 173 E HA -0.072 4.275 4.350 -0.005 0.000 0.193 173 E C 2.889 179.522 176.600 0.055 0.000 0.988 173 E CA 1.010 57.445 56.400 0.058 0.000 0.804 173 E CB -0.593 29.128 29.700 0.036 0.000 0.745 173 E HN 0.389 nan 8.360 nan 0.000 0.458 174 A N 0.815 123.674 122.820 0.065 0.000 1.902 174 A HA -0.211 4.106 4.320 -0.005 0.000 0.217 174 A C 2.152 179.781 177.584 0.074 0.000 1.181 174 A CA 1.420 53.491 52.037 0.056 0.000 0.623 174 A CB -0.835 18.197 19.000 0.054 0.000 0.818 174 A HN 0.316 nan 8.150 nan 0.000 0.443 175 Y N 0.942 121.242 120.300 0.000 0.000 2.128 175 Y HA -0.210 4.337 4.550 -0.005 0.000 0.284 175 Y C 2.188 178.093 175.900 0.009 0.000 1.154 175 Y CA 2.296 60.397 58.100 0.002 0.000 1.149 175 Y CB -0.263 38.198 38.460 0.002 0.000 0.976 175 Y HN 0.281 nan 8.280 nan 0.000 0.505 176 K N -0.425 119.951 120.400 -0.040 0.000 2.209 176 K HA -0.192 4.125 4.320 -0.005 0.000 0.204 176 K C 2.022 178.544 176.600 -0.130 0.000 1.048 176 K CA 1.262 57.480 56.287 -0.116 0.000 0.940 176 K CB -0.105 32.397 32.500 0.002 0.000 0.729 176 K HN 0.394 nan 8.250 nan 0.000 0.451 177 Q N 0.892 120.643 119.800 -0.083 0.000 2.119 177 Q HA -0.156 4.181 4.340 -0.005 0.000 0.201 177 Q C 2.018 177.960 176.000 -0.096 0.000 0.972 177 Q CA 1.439 57.203 55.803 -0.066 0.000 0.847 177 Q CB -0.062 28.658 28.738 -0.030 0.000 0.903 177 Q HN 0.473 nan 8.270 nan 0.000 0.433 178 Q N -0.211 119.501 119.800 -0.145 0.000 2.079 178 Q HA -0.094 4.243 4.340 -0.005 0.000 0.200 178 Q C 2.259 178.147 176.000 -0.187 0.000 0.974 178 Q CA 1.330 57.044 55.803 -0.148 0.000 0.840 178 Q CB 0.048 28.694 28.738 -0.154 0.000 0.898 178 Q HN 0.156 nan 8.270 nan 0.000 0.430 179 V N 0.905 120.625 119.914 -0.324 0.000 2.295 179 V HA -0.280 3.837 4.120 -0.005 0.000 0.246 179 V C 2.267 178.290 176.094 -0.119 0.000 1.049 179 V CA 1.844 63.996 62.300 -0.246 0.000 1.024 179 V CB -1.019 30.609 31.823 -0.324 0.000 0.648 179 V HN 0.397 nan 8.190 nan 0.000 0.447 180 A N 0.128 122.885 122.820 -0.105 0.000 1.933 180 A HA -0.266 4.051 4.320 -0.005 0.000 0.218 180 A C 2.391 179.947 177.584 -0.047 0.000 1.175 180 A CA 2.129 54.128 52.037 -0.062 0.000 0.628 180 A CB -0.581 18.389 19.000 -0.050 0.000 0.814 180 A HN 0.523 nan 8.150 nan 0.000 0.444 181 R N -0.244 120.230 120.500 -0.044 0.000 2.082 181 R HA -0.150 4.187 4.340 -0.005 0.000 0.234 181 R C 2.340 178.638 176.300 -0.004 0.000 1.136 181 R CA 1.833 57.921 56.100 -0.020 0.000 0.935 181 R CB -0.599 29.695 30.300 -0.010 0.000 0.842 181 R HN 0.394 nan 8.270 nan 0.000 0.430 182 A N 0.416 123.245 122.820 0.015 0.000 1.903 182 A HA -0.193 4.125 4.320 -0.005 0.000 0.219 182 A C 2.361 179.939 177.584 -0.010 0.000 1.191 182 A CA 2.130 54.212 52.037 0.074 0.000 0.638 182 A CB -0.914 18.141 19.000 0.091 0.000 0.823 182 A HN 0.292 nan 8.150 nan 0.000 0.451 183 V N -0.290 119.606 119.914 -0.031 0.000 2.332 183 V HA -0.281 3.837 4.120 -0.005 0.000 0.248 183 V C 3.056 179.102 176.094 -0.080 0.000 1.055 183 V CA 2.071 64.340 62.300 -0.051 0.000 1.038 183 V CB -1.335 30.466 31.823 -0.037 0.000 0.651 183 V HN 0.671 nan 8.190 nan 0.000 0.450 184 A N -0.344 122.435 122.820 -0.068 0.000 1.883 184 A HA -0.274 4.043 4.320 -0.005 0.000 0.217 184 A C 2.179 179.693 177.584 -0.117 0.000 1.186 184 A CA 2.078 54.071 52.037 -0.073 0.000 0.624 184 A CB -0.502 18.469 19.000 -0.048 0.000 0.822 184 A HN 0.642 nan 8.150 nan 0.000 0.444 185 E N -0.419 119.689 120.200 -0.154 0.000 2.051 185 E HA -0.164 4.184 4.350 -0.005 0.000 0.192 185 E C 1.929 178.240 176.600 -0.483 0.000 0.991 185 E CA 1.302 57.537 56.400 -0.275 0.000 0.799 185 E CB -0.338 29.233 29.700 -0.215 0.000 0.748 185 E HN 0.703 nan 8.360 nan 0.000 0.449 186 I N 0.896 121.145 120.570 -0.535 0.000 2.127 186 I HA -0.302 3.865 4.170 -0.005 0.000 0.241 186 I C 2.531 178.514 176.117 -0.223 0.000 1.075 186 I CA 1.323 62.368 61.300 -0.424 0.000 1.334 186 I CB -0.236 37.615 38.000 -0.249 0.000 1.040 186 I HN 0.002 nan 8.210 nan 0.000 0.405 187 R N 0.291 120.698 120.500 -0.156 0.000 2.152 187 R HA -0.086 4.251 4.340 -0.005 0.000 0.232 187 R C 2.262 178.507 176.300 -0.092 0.000 1.117 187 R CA 0.923 56.964 56.100 -0.098 0.000 0.981 187 R CB -0.249 30.008 30.300 -0.070 0.000 0.870 187 R HN 0.359 nan 8.270 nan 0.000 0.451 188 R N -0.374 120.059 120.500 -0.112 0.000 2.280 188 R HA -0.006 4.332 4.340 -0.005 0.000 0.207 188 R C 0.907 177.153 176.300 -0.090 0.000 1.043 188 R CA 0.766 56.812 56.100 -0.089 0.000 1.006 188 R CB 0.249 30.497 30.300 -0.086 0.000 0.885 188 R HN 0.431 nan 8.270 nan 0.000 0.467 189 G N 1.190 109.917 108.800 -0.122 0.000 2.132 189 G HA2 -0.265 3.693 3.960 -0.005 0.000 0.228 189 G HA3 -0.265 3.693 3.960 -0.005 0.000 0.228 189 G C 0.438 175.286 174.900 -0.087 0.000 1.000 189 G CA 0.292 45.336 45.100 -0.093 0.000 0.693 189 G HN 0.420 nan 8.290 nan 0.000 0.515 190 E N -1.444 118.660 120.200 -0.160 0.000 2.216 190 E HA 0.220 4.567 4.350 -0.005 0.000 0.192 190 E C 0.891 177.542 176.600 0.084 0.000 0.988 190 E CA 1.379 57.742 56.400 -0.062 0.000 0.834 190 E CB 0.092 29.747 29.700 -0.076 0.000 0.772 190 E HN 0.953 nan 8.360 nan 0.000 0.479 191 Y N -5.766 114.532 120.300 -0.004 0.000 2.895 191 Y HA 0.281 4.824 4.550 -0.011 0.000 0.339 191 Y C 0.332 176.229 175.900 -0.005 0.000 1.363 191 Y CA -0.985 57.112 58.100 -0.004 0.000 1.085 191 Y CB 0.493 38.952 38.460 -0.002 0.000 1.500 191 Y HN -0.358 nan 8.280 nan 0.000 0.442 192 V N -0.160 119.871 119.914 0.196 0.000 3.048 192 V HA 0.283 4.400 4.120 -0.005 0.000 0.241 192 V C -0.001 176.168 176.094 0.125 0.000 1.129 192 V CA 1.131 63.484 62.300 0.088 0.000 1.128 192 V CB 0.613 32.470 31.823 0.057 0.000 0.849 192 V HN 0.660 nan 8.190 nan 0.000 0.475 193 K N 0.093 120.615 120.400 0.203 0.000 2.525 193 K HA 0.621 4.938 4.320 -0.005 0.000 0.254 193 K C -2.316 174.382 176.600 0.164 0.000 0.934 193 K CA -0.313 56.067 56.287 0.155 0.000 0.802 193 K CB 3.056 35.597 32.500 0.068 0.000 1.295 193 K HN -0.080 nan 8.250 nan 0.000 0.433 194 V N 5.023 125.024 119.914 0.145 0.000 2.808 194 V HA 0.454 4.571 4.120 -0.005 0.000 0.308 194 V C -1.405 174.722 176.094 0.055 0.000 1.099 194 V CA -0.920 61.407 62.300 0.044 0.000 0.920 194 V CB 1.859 33.669 31.823 -0.021 0.000 1.014 194 V HN 0.732 nan 8.190 nan 0.000 0.425 195 I N 6.685 127.273 120.570 0.030 0.000 2.322 195 I HA 0.325 4.492 4.170 -0.005 0.000 0.292 195 I C 0.054 176.215 176.117 0.073 0.000 1.060 195 I CA 0.318 61.653 61.300 0.057 0.000 1.309 195 I CB 1.299 39.323 38.000 0.041 0.000 1.415 195 I HN 0.323 nan 8.210 nan 0.000 0.492 196 V N 6.535 126.519 119.914 0.115 0.000 2.370 196 V HA 0.572 4.689 4.120 -0.005 0.000 0.279 196 V C 0.268 176.529 176.094 0.278 0.000 1.029 196 V CA -0.443 61.943 62.300 0.145 0.000 0.870 196 V CB 1.194 33.060 31.823 0.070 0.000 0.984 196 V HN 0.840 nan 8.190 nan 0.000 0.451 197 S N 5.569 121.387 115.700 0.197 0.000 2.648 197 S HA 0.870 5.338 4.470 -0.005 0.000 0.305 197 S C -0.624 173.987 174.600 0.019 0.000 1.094 197 S CA -1.096 57.156 58.200 0.087 0.000 0.983 197 S CB 2.255 65.446 63.200 -0.015 0.000 1.101 197 S HN 0.849 nan 8.310 nan 0.000 0.514 198 R N 0.241 120.641 120.500 -0.167 0.000 2.575 198 R HA 0.775 5.113 4.340 -0.005 0.000 0.293 198 R C -0.966 175.237 176.300 -0.161 0.000 0.983 198 R CA -0.963 55.040 56.100 -0.161 0.000 0.887 198 R CB 1.592 31.709 30.300 -0.306 0.000 1.184 198 R HN 0.726 nan 8.270 nan 0.000 0.445 199 A N 4.825 127.584 122.820 -0.101 0.000 2.301 199 A HA 0.494 4.811 4.320 -0.005 0.000 0.298 199 A C -0.164 177.433 177.584 0.020 0.000 1.185 199 A CA -0.852 51.181 52.037 -0.007 0.000 0.830 199 A CB 0.489 19.413 19.000 -0.126 0.000 1.112 199 A HN 0.645 nan 8.150 nan 0.000 0.508 200 I N 4.051 124.683 120.570 0.104 0.000 2.359 200 I HA 0.293 4.460 4.170 -0.005 0.000 0.284 200 I C -2.552 173.656 176.117 0.152 0.000 1.018 200 I CA -2.764 58.584 61.300 0.079 0.000 1.173 200 I CB 0.719 38.745 38.000 0.043 0.000 1.326 200 I HN 0.292 nan 8.210 nan 0.000 0.462 201 P HA 0.246 nan 4.420 nan 0.000 0.271 201 P C -0.493 176.882 177.300 0.125 0.000 1.216 201 P CA -0.131 63.057 63.100 0.148 0.000 0.771 201 P CB 0.667 32.414 31.700 0.077 0.000 0.864 202 L N 5.790 127.102 121.223 0.149 0.000 2.307 202 L HA 0.333 4.670 4.340 -0.005 0.000 0.282 202 L C -1.124 175.798 176.870 0.087 0.000 1.051 202 L CA -1.830 53.072 54.840 0.104 0.000 0.804 202 L CB 0.908 43.029 42.059 0.103 0.000 1.197 202 L HN 0.273 nan 8.230 nan 0.000 0.431 203 P HA -0.114 nan 4.420 nan 0.000 0.217 203 P C 0.115 177.447 177.300 0.054 0.000 1.148 203 P CA 0.927 64.058 63.100 0.051 0.000 0.828 203 P CB 0.207 31.930 31.700 0.038 0.000 0.783 204 S N -2.625 113.110 115.700 0.058 0.000 2.627 204 S HA 0.516 4.983 4.470 -0.005 0.000 0.283 204 S C -0.403 174.239 174.600 0.070 0.000 1.127 204 S CA -1.134 57.101 58.200 0.058 0.000 0.863 204 S CB 1.924 65.150 63.200 0.044 0.000 1.121 204 S HN -0.200 nan 8.310 nan 0.000 0.479 205 R N 0.468 121.010 120.500 0.071 0.000 2.679 205 R HA 0.419 4.757 4.340 -0.005 0.000 0.268 205 R C 0.096 176.431 176.300 0.059 0.000 1.044 205 R CA 0.086 56.231 56.100 0.076 0.000 1.105 205 R CB 0.013 30.356 30.300 0.073 0.000 0.989 205 R HN 0.741 nan 8.270 nan 0.000 0.447 206 I N -2.083 118.521 120.570 0.057 0.000 2.648 206 I HA 0.302 4.469 4.170 -0.005 0.000 0.304 206 I C -0.224 175.917 176.117 0.041 0.000 1.009 206 I CA -0.805 60.523 61.300 0.047 0.000 1.114 206 I CB 1.808 39.834 38.000 0.043 0.000 1.293 206 I HN 0.376 nan 8.210 nan 0.000 0.449 207 D N 5.699 126.122 120.400 0.038 0.000 2.344 207 D HA 0.090 4.727 4.640 -0.005 0.000 0.253 207 D C 0.924 177.245 176.300 0.035 0.000 1.255 207 D CA -0.250 53.768 54.000 0.031 0.000 0.894 207 D CB 0.988 41.803 40.800 0.026 0.000 1.067 207 D HN 0.568 nan 8.370 nan 0.000 0.492 208 M N 4.736 124.352 119.600 0.027 0.000 2.067 208 M HA -0.085 4.393 4.480 -0.005 0.000 0.260 208 M C -0.778 175.536 176.300 0.024 0.000 1.069 208 M CA 1.357 56.668 55.300 0.019 0.000 1.117 208 M CB -2.263 30.348 32.600 0.018 0.000 1.334 208 M HN 0.311 nan 8.290 nan 0.000 0.407 209 P HA -0.104 nan 4.420 nan 0.000 0.216 209 P C 1.182 178.499 177.300 0.028 0.000 1.150 209 P CA 2.052 65.160 63.100 0.013 0.000 0.843 209 P CB -0.203 31.496 31.700 -0.002 0.000 0.787 210 A N -1.372 121.472 122.820 0.039 0.000 1.970 210 A HA -0.077 4.241 4.320 -0.005 0.000 0.216 210 A C 2.147 179.811 177.584 0.134 0.000 1.170 210 A CA 1.766 53.838 52.037 0.059 0.000 0.645 210 A CB -1.656 17.364 19.000 0.033 0.000 0.816 210 A HN 0.136 nan 8.150 nan 0.000 0.447 211 T N 0.412 115.047 114.554 0.135 0.000 2.788 211 T HA -0.131 4.216 4.350 -0.005 0.000 0.268 211 T C 1.820 176.661 174.700 0.234 0.000 1.044 211 T CA 1.478 63.696 62.100 0.197 0.000 1.139 211 T CB -0.357 68.584 68.868 0.121 0.000 0.867 211 T HN 0.327 nan 8.240 nan 0.000 0.454 212 L N 1.973 123.292 121.223 0.161 0.000 1.970 212 L HA -0.016 4.322 4.340 -0.005 0.000 0.212 212 L C 2.894 179.895 176.870 0.218 0.000 1.071 212 L CA 2.094 57.057 54.840 0.204 0.000 0.751 212 L CB -1.285 40.831 42.059 0.095 0.000 0.889 212 L HN 0.276 nan 8.230 nan 0.000 0.432 213 L N -1.379 119.908 121.223 0.107 0.000 1.990 213 L HA -0.295 4.042 4.340 -0.005 0.000 0.213 213 L C 2.733 179.661 176.870 0.097 0.000 1.072 213 L CA 2.931 57.805 54.840 0.057 0.000 0.755 213 L CB -2.380 39.694 42.059 0.026 0.000 0.889 213 L HN 0.667 nan 8.230 nan 0.000 0.432 214 Y N 1.012 121.309 120.300 -0.005 0.000 2.184 214 Y HA 0.131 4.679 4.550 -0.004 0.000 0.290 214 Y C 2.620 178.417 175.900 -0.172 0.000 1.129 214 Y CA 1.274 59.356 58.100 -0.030 0.000 1.144 214 Y CB -0.911 37.588 38.460 0.065 0.000 0.995 214 Y HN 0.233 nan 8.280 nan 0.000 0.513 215 G N 0.009 108.719 108.800 -0.150 0.000 2.421 215 G HA2 -0.326 3.631 3.960 -0.005 0.000 0.216 215 G HA3 -0.326 3.631 3.960 -0.005 0.000 0.216 215 G C 1.797 176.059 174.900 -1.064 0.000 1.171 215 G CA 1.037 45.826 45.100 -0.519 0.000 0.775 215 G HN 0.279 nan 8.290 nan 0.000 0.543 216 R N 1.397 121.524 120.500 -0.621 0.000 2.096 216 R HA -0.158 4.179 4.340 -0.005 0.000 0.240 216 R C 2.781 178.829 176.300 -0.420 0.000 1.139 216 R CA 2.221 58.022 56.100 -0.498 0.000 0.952 216 R CB -0.839 29.492 30.300 0.052 0.000 0.854 216 R HN 0.571 nan 8.270 nan 0.000 0.436 217 Q N -1.159 118.443 119.800 -0.330 0.000 2.364 217 Q HA 0.084 4.421 4.340 -0.005 0.000 0.207 217 Q C 1.551 177.338 176.000 -0.355 0.000 0.970 217 Q CA 1.531 57.182 55.803 -0.254 0.000 0.888 217 Q CB -0.345 28.304 28.738 -0.149 0.000 0.951 217 Q HN 0.314 nan 8.270 nan 0.000 0.469 218 A N -0.138 122.313 122.820 -0.615 0.000 2.251 218 A HA 0.122 4.439 4.320 -0.005 0.000 0.209 218 A C 0.211 177.496 177.584 -0.497 0.000 1.187 218 A CA -0.138 51.487 52.037 -0.686 0.000 0.823 218 A CB 0.043 18.171 19.000 -1.454 0.000 0.846 218 A HN 0.278 nan 8.150 nan 0.000 0.486 219 N N -0.726 117.695 118.700 -0.465 0.000 2.357 219 N HA 0.371 5.108 4.740 -0.005 0.000 0.284 219 N C -1.248 174.142 175.510 -0.201 0.000 1.236 219 N CA 0.131 52.975 53.050 -0.343 0.000 0.774 219 N CB 2.045 40.215 38.487 -0.529 0.000 1.534 219 N HN 0.096 nan 8.380 nan 0.000 0.478 220 T N -1.362 113.129 114.554 -0.105 0.000 3.327 220 T HA 0.427 4.774 4.350 -0.005 0.000 0.373 220 T C -2.742 171.955 174.700 -0.004 0.000 1.589 220 T CA -1.440 60.631 62.100 -0.049 0.000 1.497 220 T CB 0.831 69.677 68.868 -0.036 0.000 1.032 220 T HN 0.194 nan 8.240 nan 0.000 0.640 221 P HA 0.304 nan 4.420 nan 0.000 0.278 221 P C 1.479 178.795 177.300 0.028 0.000 1.258 221 P CA -0.739 62.400 63.100 0.063 0.000 0.811 221 P CB 1.470 33.254 31.700 0.140 0.000 1.063 222 V N -1.790 118.142 119.914 0.031 0.000 2.719 222 V HA 0.145 4.262 4.120 -0.005 0.000 0.252 222 V C 0.627 176.690 176.094 -0.052 0.000 1.065 222 V CA 1.145 63.447 62.300 0.003 0.000 1.086 222 V CB -0.785 31.051 31.823 0.021 0.000 0.700 222 V HN 0.363 nan 8.190 nan 0.000 0.467 223 R N -0.098 120.362 120.500 -0.067 0.000 2.707 223 R HA 0.712 5.049 4.340 -0.005 0.000 0.272 223 R C -1.157 175.064 176.300 -0.132 0.000 1.011 223 R CA -0.211 55.758 56.100 -0.219 0.000 0.893 223 R CB 1.999 32.119 30.300 -0.300 0.000 1.233 223 R HN 0.405 nan 8.270 nan 0.000 0.464 224 S N 1.196 116.739 115.700 -0.262 0.000 2.600 224 S HA 0.854 5.321 4.470 -0.005 0.000 0.300 224 S C -1.014 173.574 174.600 -0.019 0.000 1.087 224 S CA -0.727 57.415 58.200 -0.096 0.000 0.965 224 S CB 1.455 64.667 63.200 0.021 0.000 1.089 224 S HN 0.480 nan 8.310 nan 0.000 0.496 225 F N -0.299 119.636 119.950 -0.025 0.000 2.654 225 F HA 0.826 5.351 4.527 -0.004 0.000 0.308 225 F C -1.263 174.660 175.800 0.205 0.000 1.108 225 F CA -1.074 57.037 58.000 0.185 0.000 0.957 225 F CB 1.598 40.659 39.000 0.101 0.000 1.309 225 F HN 0.488 nan 8.300 nan 0.000 0.446 226 M N 4.119 124.026 119.600 0.512 0.000 2.277 226 M HA 0.542 5.019 4.480 -0.005 0.000 0.282 226 M C -2.690 174.088 176.300 0.796 0.000 1.074 226 M CA -0.250 55.273 55.300 0.373 0.000 0.954 226 M CB 1.882 34.591 32.600 0.182 0.000 1.672 226 M HN 0.778 nan 8.290 nan 0.000 0.471 227 F N 3.394 123.542 119.950 0.331 0.000 2.540 227 F HA 0.638 5.163 4.527 -0.004 0.000 0.317 227 F C -0.057 175.856 175.800 0.188 0.000 1.104 227 F CA -0.743 57.454 58.000 0.329 0.000 0.913 227 F CB 1.792 41.053 39.000 0.435 0.000 1.170 227 F HN 0.583 nan 8.300 nan 0.000 0.450 228 R N 2.939 123.550 120.500 0.184 0.000 2.513 228 R HA 0.582 4.919 4.340 -0.005 0.000 0.301 228 R C -1.592 174.735 176.300 0.046 0.000 0.968 228 R CA -0.423 55.725 56.100 0.080 0.000 0.872 228 R CB 1.611 31.906 30.300 -0.008 0.000 1.177 228 R HN 0.839 nan 8.270 nan 0.000 0.444 229 Q N 3.288 123.125 119.800 0.061 0.000 2.364 229 Q HA 0.098 4.435 4.340 -0.005 0.000 0.257 229 Q C -1.204 174.783 176.000 -0.021 0.000 0.956 229 Q CA -0.320 55.523 55.803 0.068 0.000 0.924 229 Q CB 1.597 30.444 28.738 0.182 0.000 1.413 229 Q HN 0.848 nan 8.270 nan 0.000 0.418 230 E N 1.966 122.145 120.200 -0.034 0.000 2.328 230 E HA -0.301 4.046 4.350 -0.005 0.000 0.233 230 E C 0.408 176.957 176.600 -0.086 0.000 1.219 230 E CA 0.896 57.257 56.400 -0.065 0.000 0.717 230 E CB -1.385 28.273 29.700 -0.071 0.000 1.210 230 E HN 1.091 nan 8.360 nan 0.000 0.381 231 G N -0.105 108.654 108.800 -0.068 0.000 2.143 231 G HA2 -0.368 3.589 3.960 -0.005 0.000 0.248 231 G HA3 -0.368 3.589 3.960 -0.005 0.000 0.248 231 G C 0.079 174.926 174.900 -0.088 0.000 0.991 231 G CA 0.606 45.672 45.100 -0.057 0.000 0.689 231 G HN 0.299 nan 8.290 nan 0.000 0.522 232 R N -0.181 120.223 120.500 -0.160 0.000 2.686 232 R HA 0.651 4.988 4.340 -0.005 0.000 0.286 232 R C -0.718 175.513 176.300 -0.115 0.000 0.969 232 R CA -0.708 55.215 56.100 -0.294 0.000 0.898 232 R CB 1.815 31.593 30.300 -0.871 0.000 1.183 232 R HN 0.332 nan 8.270 nan 0.000 0.456 233 E N 0.848 121.084 120.200 0.060 0.000 2.292 233 E HA 0.646 4.993 4.350 -0.005 0.000 0.272 233 E C -1.492 175.333 176.600 0.374 0.000 0.881 233 E CA -0.784 55.733 56.400 0.194 0.000 0.754 233 E CB 2.518 32.298 29.700 0.134 0.000 1.201 233 E HN 0.636 nan 8.360 nan 0.000 0.425 234 A N 3.006 126.059 122.820 0.388 0.000 2.515 234 A HA 0.843 5.160 4.320 -0.005 0.000 0.298 234 A C -1.691 175.964 177.584 0.118 0.000 1.059 234 A CA -0.642 51.602 52.037 0.343 0.000 0.698 234 A CB 1.358 20.784 19.000 0.710 0.000 1.289 234 A HN 0.542 nan 8.150 nan 0.000 0.404 235 L N 1.067 122.092 121.223 -0.330 0.000 2.506 235 L HA 0.898 5.235 4.340 -0.005 0.000 0.257 235 L C -0.349 175.771 176.870 -1.250 0.000 0.964 235 L CA 0.126 54.476 54.840 -0.818 0.000 0.836 235 L CB 2.234 44.024 42.059 -0.447 0.000 1.384 235 L HN 1.520 nan 8.230 nan 0.000 0.410 236 G N 1.782 109.469 108.800 -1.855 0.000 2.441 236 G HA2 0.480 4.437 3.960 -0.005 0.000 0.294 236 G HA3 0.480 4.437 3.960 -0.005 0.000 0.294 236 G C -2.166 172.026 174.900 -1.179 0.000 1.393 236 G CA -0.583 43.705 45.100 -1.353 0.000 0.796 236 G HN 0.341 nan 8.290 nan 0.000 0.494 237 F N 1.506 121.388 119.950 -0.113 0.000 2.359 237 F HA 0.566 5.090 4.527 -0.005 0.000 0.370 237 F C 0.859 176.685 175.800 0.043 0.000 1.077 237 F CA -0.977 57.002 58.000 -0.035 0.000 1.136 237 F CB 1.730 40.702 39.000 -0.048 0.000 1.387 237 F HN 0.316 nan 8.300 nan 0.000 0.468 238 S N 4.535 120.347 115.700 0.185 0.000 2.516 238 S HA 0.159 4.626 4.470 -0.005 0.000 0.282 238 S C -1.222 173.451 174.600 0.121 0.000 1.286 238 S CA -1.056 57.240 58.200 0.160 0.000 1.066 238 S CB 0.755 64.042 63.200 0.145 0.000 0.884 238 S HN 0.339 nan 8.310 nan 0.000 0.491 239 P HA 0.076 nan 4.420 nan 0.000 0.240 239 P C -0.110 177.230 177.300 0.066 0.000 1.190 239 P CA 0.602 63.764 63.100 0.103 0.000 0.781 239 P CB -0.058 31.711 31.700 0.114 0.000 0.931 240 E N -1.290 118.936 120.200 0.044 0.000 2.416 240 E HA 0.324 4.671 4.350 -0.005 0.000 0.280 240 E C -1.454 175.165 176.600 0.032 0.000 1.055 240 E CA -0.981 55.436 56.400 0.029 0.000 0.825 240 E CB 0.504 30.207 29.700 0.005 0.000 1.312 240 E HN -0.177 nan 8.360 nan 0.000 0.452 241 L N 2.436 123.679 121.223 0.034 0.000 2.305 241 L HA 0.203 4.541 4.340 -0.005 0.000 0.281 241 L C 1.360 178.251 176.870 0.035 0.000 1.085 241 L CA -0.587 54.281 54.840 0.047 0.000 0.813 241 L CB 1.486 43.573 42.059 0.046 0.000 1.157 241 L HN 0.566 nan 8.230 nan 0.000 0.436 242 V N 3.330 123.280 119.914 0.060 0.000 2.343 242 V HA -0.121 3.996 4.120 -0.005 0.000 0.247 242 V C 0.620 176.739 176.094 0.041 0.000 1.051 242 V CA 1.603 63.934 62.300 0.053 0.000 1.036 242 V CB -0.258 31.653 31.823 0.147 0.000 0.654 242 V HN 0.816 nan 8.190 nan 0.000 0.451 243 M N -1.405 118.233 119.600 0.063 0.000 2.484 243 M HA 0.375 4.852 4.480 -0.005 0.000 0.292 243 M C -1.827 174.483 176.300 0.017 0.000 1.123 243 M CA -0.053 55.256 55.300 0.016 0.000 0.910 243 M CB 2.038 34.631 32.600 -0.011 0.000 1.782 243 M HN -0.005 nan 8.290 nan 0.000 0.512 244 S N 2.467 118.156 115.700 -0.019 0.000 2.571 244 S HA 0.844 5.311 4.470 -0.005 0.000 0.284 244 S C -1.848 172.724 174.600 -0.047 0.000 1.128 244 S CA -0.476 57.722 58.200 -0.003 0.000 0.970 244 S CB 1.903 65.115 63.200 0.019 0.000 1.039 244 S HN 0.518 nan 8.310 nan 0.000 0.485 245 V N 4.206 124.092 119.914 -0.047 0.000 2.483 245 V HA 0.573 4.691 4.120 -0.005 0.000 0.297 245 V C -0.540 175.546 176.094 -0.013 0.000 1.027 245 V CA -0.533 61.728 62.300 -0.064 0.000 0.855 245 V CB 1.892 33.626 31.823 -0.150 0.000 0.995 245 V HN 0.916 nan 8.190 nan 0.000 0.424 246 T N 3.881 118.428 114.554 -0.012 0.000 2.864 246 T HA 0.653 5.000 4.350 -0.005 0.000 0.299 246 T C 0.705 175.403 174.700 -0.003 0.000 1.011 246 T CA 0.362 62.462 62.100 -0.000 0.000 0.975 246 T CB 1.176 70.047 68.868 0.006 0.000 0.962 246 T HN 1.378 nan 8.240 nan 0.000 0.448 247 G N 4.535 113.335 108.800 0.000 0.000 2.565 247 G HA2 -0.364 3.593 3.960 -0.005 0.000 0.295 247 G HA3 -0.364 3.593 3.960 -0.005 0.000 0.295 247 G C 0.879 175.776 174.900 -0.005 0.000 1.165 247 G CA 0.686 45.787 45.100 0.001 0.000 0.977 247 G HN 0.641 nan 8.290 nan 0.000 0.546 248 N N 0.891 119.588 118.700 -0.005 0.000 2.353 248 N HA 0.123 4.860 4.740 -0.005 0.000 0.185 248 N C 0.675 176.175 175.510 -0.017 0.000 1.098 248 N CA 1.014 54.058 53.050 -0.010 0.000 0.872 248 N CB 0.107 38.591 38.487 -0.004 0.000 0.970 248 N HN 0.557 nan 8.380 nan 0.000 0.467 249 K N 0.732 121.122 120.400 -0.016 0.000 2.248 249 K HA 0.247 4.565 4.320 -0.005 0.000 0.281 249 K C -1.151 175.431 176.600 -0.030 0.000 1.054 249 K CA -0.392 55.884 56.287 -0.018 0.000 0.903 249 K CB 1.010 33.504 32.500 -0.009 0.000 1.077 249 K HN -0.168 nan 8.250 nan 0.000 0.474 250 V N 5.607 125.498 119.914 -0.037 0.000 2.435 250 V HA 0.504 4.621 4.120 -0.005 0.000 0.290 250 V C -1.155 174.917 176.094 -0.038 0.000 1.030 250 V CA -0.511 61.757 62.300 -0.053 0.000 0.881 250 V CB 1.672 33.453 31.823 -0.071 0.000 0.983 250 V HN 0.550 nan 8.190 nan 0.000 0.445 251 V N 5.670 125.563 119.914 -0.035 0.000 2.540 251 V HA 0.630 4.748 4.120 -0.005 0.000 0.302 251 V C 0.044 176.125 176.094 -0.022 0.000 1.035 251 V CA -0.252 62.036 62.300 -0.020 0.000 0.873 251 V CB 2.046 33.865 31.823 -0.007 0.000 0.992 251 V HN 1.014 nan 8.190 nan 0.000 0.428 252 T N 2.698 117.240 114.554 -0.019 0.000 2.916 252 T HA 0.528 4.875 4.350 -0.005 0.000 0.292 252 T C -0.848 173.847 174.700 -0.009 0.000 1.055 252 T CA -0.425 61.664 62.100 -0.018 0.000 1.009 252 T CB 1.812 70.660 68.868 -0.033 0.000 1.118 252 T HN 0.821 nan 8.240 nan 0.000 0.497 253 E N 3.311 123.508 120.200 -0.005 0.000 3.386 253 E HA 0.296 4.644 4.350 -0.005 0.000 0.236 253 E C -2.590 174.012 176.600 0.003 0.000 1.227 253 E CA -2.138 54.267 56.400 0.009 0.000 0.970 253 E CB 1.051 30.763 29.700 0.020 0.000 1.343 253 E HN 0.398 nan 8.360 nan 0.000 0.397 254 P HA 0.104 nan 4.420 nan 0.000 0.271 254 P C -0.708 176.609 177.300 0.028 0.000 1.220 254 P CA -0.302 62.775 63.100 -0.039 0.000 0.768 254 P CB 0.965 32.603 31.700 -0.104 0.000 0.848 255 L N 3.584 124.811 121.223 0.007 0.000 2.341 255 L HA 0.772 5.109 4.340 -0.005 0.000 0.278 255 L C 0.072 176.944 176.870 0.002 0.000 1.005 255 L CA -0.243 54.626 54.840 0.048 0.000 0.818 255 L CB 1.626 43.658 42.059 -0.045 0.000 1.259 255 L HN 0.544 nan 8.230 nan 0.000 0.418 256 A N 2.352 125.262 122.820 0.149 0.000 2.532 256 A HA 0.786 5.103 4.320 -0.005 0.000 0.296 256 A C -0.383 177.329 177.584 0.214 0.000 1.058 256 A CA -0.012 52.094 52.037 0.115 0.000 0.729 256 A CB 1.320 20.348 19.000 0.047 0.000 1.285 256 A HN 1.310 nan 8.150 nan 0.000 0.396 257 G N 0.944 109.838 108.800 0.158 0.000 3.233 257 G HA2 0.501 4.458 3.960 -0.005 0.000 0.686 257 G HA3 0.501 4.458 3.960 -0.005 0.000 0.686 257 G C -0.716 174.305 174.900 0.202 0.000 1.153 257 G CA -0.149 45.041 45.100 0.149 0.000 0.853 257 G HN 1.521 nan 8.290 nan 0.000 0.582 258 T N 3.254 117.908 114.554 0.165 0.000 2.933 258 T HA 0.832 5.180 4.350 -0.005 0.000 0.305 258 T C -0.195 174.539 174.700 0.057 0.000 1.092 258 T CA -0.879 61.321 62.100 0.168 0.000 1.008 258 T CB 1.972 70.988 68.868 0.246 0.000 1.102 258 T HN 0.684 nan 8.240 nan 0.000 0.469 259 R N 1.534 122.028 120.500 -0.011 0.000 2.867 259 R HA 0.455 4.792 4.340 -0.005 0.000 0.268 259 R C -0.900 175.376 176.300 -0.039 0.000 1.014 259 R CA -0.956 55.133 56.100 -0.018 0.000 0.946 259 R CB 1.513 31.791 30.300 -0.037 0.000 1.208 259 R HN 0.942 nan 8.270 nan 0.000 0.477 260 D N -0.714 119.687 120.400 0.001 0.000 2.368 260 D HA 0.107 4.744 4.640 -0.005 0.000 0.240 260 D C -0.035 176.276 176.300 0.019 0.000 1.169 260 D CA -0.379 53.638 54.000 0.028 0.000 0.906 260 D CB 0.697 41.558 40.800 0.102 0.000 1.187 260 D HN 0.454 nan 8.370 nan 0.000 0.435 261 R N 1.326 121.842 120.500 0.026 0.000 2.881 261 R HA 0.293 4.630 4.340 -0.005 0.000 0.331 261 R C -0.205 176.146 176.300 0.084 0.000 1.207 261 R CA -0.553 55.576 56.100 0.049 0.000 1.265 261 R CB -0.127 30.167 30.300 -0.010 0.000 1.351 261 R HN 0.432 nan 8.270 nan 0.000 0.613 262 M N 0.592 120.269 119.600 0.127 0.000 2.475 262 M HA 0.278 4.755 4.480 -0.005 0.000 0.261 262 M C 0.460 176.725 176.300 -0.057 0.000 1.177 262 M CA -0.177 55.148 55.300 0.041 0.000 0.979 262 M CB 1.432 34.044 32.600 0.021 0.000 1.482 262 M HN 0.569 nan 8.290 nan 0.000 0.484 263 G N 0.350 109.139 108.800 -0.018 0.000 3.217 263 G HA2 0.395 4.352 3.960 -0.005 0.000 0.213 263 G HA3 0.395 4.352 3.960 -0.005 0.000 0.213 263 G C -0.676 174.219 174.900 -0.008 0.000 1.294 263 G CA -0.699 44.269 45.100 -0.221 0.000 0.987 263 G HN 0.396 nan 8.290 nan 0.000 0.584 264 N N -0.055 118.649 118.700 0.008 0.000 2.381 264 N HA 0.291 5.028 4.740 -0.005 0.000 0.254 264 N C -2.080 173.475 175.510 0.074 0.000 1.264 264 N CA -1.483 51.589 53.050 0.037 0.000 0.942 264 N CB 0.338 38.837 38.487 0.020 0.000 1.190 264 N HN 0.016 nan 8.380 nan 0.000 0.495 265 P HA -0.227 nan 4.420 nan 0.000 0.217 265 P C 1.088 178.414 177.300 0.042 0.000 1.151 265 P CA 1.579 64.701 63.100 0.037 0.000 0.849 265 P CB 0.145 31.856 31.700 0.018 0.000 0.787 266 E N -1.171 119.058 120.200 0.048 0.000 2.058 266 E HA -0.289 4.058 4.350 -0.005 0.000 0.194 266 E C 2.088 178.722 176.600 0.057 0.000 0.997 266 E CA 1.180 57.606 56.400 0.043 0.000 0.801 266 E CB -0.401 29.324 29.700 0.042 0.000 0.746 266 E HN 0.322 nan 8.360 nan 0.000 0.450 267 H N 0.252 119.319 119.070 -0.005 0.000 2.353 267 H HA -0.076 4.477 4.556 -0.004 0.000 0.300 267 H C 1.875 177.199 175.328 -0.006 0.000 1.090 267 H CA 2.248 58.294 56.048 -0.004 0.000 1.327 267 H CB -0.006 29.754 29.762 -0.005 0.000 1.383 267 H HN 0.120 nan 8.280 nan 0.000 0.508 268 N N 0.076 118.786 118.700 0.018 0.000 2.106 268 N HA -0.135 4.602 4.740 -0.005 0.000 0.188 268 N C 2.187 177.647 175.510 -0.083 0.000 1.029 268 N CA 2.217 55.244 53.050 -0.040 0.000 0.848 268 N CB -0.526 37.985 38.487 0.041 0.000 1.007 268 N HN 0.628 nan 8.380 nan 0.000 0.423 269 K N 0.884 121.257 120.400 -0.045 0.000 2.148 269 K HA 0.188 4.506 4.320 -0.005 0.000 0.204 269 K C 2.142 178.711 176.600 -0.052 0.000 1.050 269 K CA 1.396 57.660 56.287 -0.037 0.000 0.942 269 K CB -1.075 31.415 32.500 -0.016 0.000 0.724 269 K HN 0.312 nan 8.250 nan 0.000 0.446 270 A N 1.342 124.116 122.820 -0.076 0.000 1.969 270 A HA -0.117 4.201 4.320 -0.005 0.000 0.218 270 A C 2.221 179.739 177.584 -0.109 0.000 1.169 270 A CA 1.523 53.511 52.037 -0.081 0.000 0.635 270 A CB -0.100 18.851 19.000 -0.081 0.000 0.810 270 A HN 0.383 nan 8.150 nan 0.000 0.445 271 K N -0.135 120.152 120.400 -0.188 0.000 2.148 271 K HA -0.123 4.195 4.320 -0.005 0.000 0.204 271 K C 1.851 178.400 176.600 -0.086 0.000 1.050 271 K CA 1.433 57.615 56.287 -0.174 0.000 0.942 271 K CB -0.291 32.049 32.500 -0.267 0.000 0.724 271 K HN 0.783 nan 8.250 nan 0.000 0.446 272 E N 0.613 120.772 120.200 -0.069 0.000 2.047 272 E HA -0.129 4.218 4.350 -0.005 0.000 0.191 272 E C 1.866 178.466 176.600 -0.000 0.000 0.987 272 E CA 1.048 57.425 56.400 -0.038 0.000 0.799 272 E CB 0.018 29.698 29.700 -0.033 0.000 0.752 272 E HN 0.229 nan 8.360 nan 0.000 0.449 273 A N 1.054 123.890 122.820 0.027 0.000 1.930 273 A HA -0.232 4.085 4.320 -0.005 0.000 0.217 273 A C 2.069 179.763 177.584 0.182 0.000 1.175 273 A CA 1.655 53.764 52.037 0.121 0.000 0.627 273 A CB -0.587 18.448 19.000 0.059 0.000 0.815 273 A HN 0.446 nan 8.150 nan 0.000 0.443 274 E N -0.570 119.670 120.200 0.066 0.000 2.077 274 E HA -0.213 4.134 4.350 -0.005 0.000 0.193 274 E C 1.914 178.548 176.600 0.056 0.000 0.989 274 E CA 1.411 57.844 56.400 0.055 0.000 0.800 274 E CB -0.198 29.502 29.700 -0.001 0.000 0.746 274 E HN 0.447 nan 8.360 nan 0.000 0.452 275 L N 0.963 122.195 121.223 0.016 0.000 2.017 275 L HA -0.149 4.188 4.340 -0.005 0.000 0.208 275 L C 2.200 179.043 176.870 -0.045 0.000 1.073 275 L CA 1.552 56.387 54.840 -0.009 0.000 0.745 275 L CB -0.491 41.552 42.059 -0.027 0.000 0.894 275 L HN 0.225 nan 8.230 nan 0.000 0.432 276 L N -1.085 120.087 121.223 -0.084 0.000 2.187 276 L HA -0.233 4.104 4.340 -0.005 0.000 0.213 276 L C 1.332 177.933 176.870 -0.449 0.000 1.100 276 L CA 1.245 55.922 54.840 -0.272 0.000 0.765 276 L CB -0.501 41.361 42.059 -0.329 0.000 0.904 276 L HN 0.478 nan 8.230 nan 0.000 0.437 277 H N -3.188 115.872 119.070 -0.017 0.000 2.923 277 H HA 0.162 4.716 4.556 -0.004 0.000 0.268 277 H C -0.419 174.907 175.328 -0.003 0.000 1.148 277 H CA -0.631 55.411 56.048 -0.009 0.000 1.146 277 H CB 0.275 30.031 29.762 -0.011 0.000 1.607 277 H HN 0.081 nan 8.280 nan 0.000 0.566 278 D N 0.388 120.824 120.400 0.061 0.000 2.295 278 D HA 0.044 4.681 4.640 -0.005 0.000 0.248 278 D C 1.395 177.716 176.300 0.035 0.000 1.154 278 D CA 0.045 54.074 54.000 0.049 0.000 0.857 278 D CB 1.117 41.940 40.800 0.038 0.000 1.117 278 D HN 0.203 nan 8.370 nan 0.000 0.468 279 S N 4.251 119.973 115.700 0.037 0.000 2.399 279 S HA -0.216 4.251 4.470 -0.005 0.000 0.231 279 S C 1.810 176.428 174.600 0.031 0.000 1.022 279 S CA 0.542 58.761 58.200 0.031 0.000 0.983 279 S CB -0.194 63.024 63.200 0.029 0.000 0.803 279 S HN 0.468 nan 8.310 nan 0.000 0.480 280 K N 1.366 121.785 120.400 0.032 0.000 2.025 280 K HA -0.083 4.234 4.320 -0.005 0.000 0.207 280 K C 1.959 178.585 176.600 0.044 0.000 1.049 280 K CA 1.592 57.900 56.287 0.035 0.000 0.933 280 K CB -0.433 32.087 32.500 0.034 0.000 0.714 280 K HN 0.394 nan 8.250 nan 0.000 0.438 281 E N 0.753 120.980 120.200 0.045 0.000 2.110 281 E HA -0.112 4.236 4.350 -0.005 0.000 0.193 281 E C 2.221 178.862 176.600 0.068 0.000 0.988 281 E CA 0.857 57.291 56.400 0.056 0.000 0.804 281 E CB -0.351 29.375 29.700 0.042 0.000 0.745 281 E HN 0.112 nan 8.360 nan 0.000 0.458 282 V N 1.581 121.522 119.914 0.044 0.000 2.358 282 V HA -0.218 3.899 4.120 -0.005 0.000 0.246 282 V C 2.439 178.581 176.094 0.080 0.000 1.047 282 V CA 1.365 63.695 62.300 0.050 0.000 1.035 282 V CB -0.490 31.337 31.823 0.006 0.000 0.658 282 V HN 0.148 nan 8.190 nan 0.000 0.452 283 L N 0.384 121.640 121.223 0.055 0.000 2.027 283 L HA -0.150 4.187 4.340 -0.005 0.000 0.206 283 L C 2.420 179.318 176.870 0.046 0.000 1.074 283 L CA 2.298 57.165 54.840 0.045 0.000 0.745 283 L CB -0.792 41.285 42.059 0.031 0.000 0.898 283 L HN 0.428 nan 8.230 nan 0.000 0.433 284 E N -1.382 118.851 120.200 0.055 0.000 2.086 284 E HA -0.384 3.963 4.350 -0.005 0.000 0.200 284 E C 2.200 178.829 176.600 0.047 0.000 1.012 284 E CA 1.788 58.218 56.400 0.051 0.000 0.812 284 E CB -0.227 29.513 29.700 0.066 0.000 0.743 284 E HN 0.741 nan 8.360 nan 0.000 0.453 285 H N -0.027 119.047 119.070 0.007 0.000 2.267 285 H HA -0.129 4.427 4.556 -0.001 0.000 0.297 285 H C 1.974 177.300 175.328 -0.003 0.000 1.080 285 H CA 2.309 58.358 56.048 0.001 0.000 1.278 285 H CB -0.108 29.655 29.762 0.001 0.000 1.365 285 H HN 0.169 nan 8.280 nan 0.000 0.489 286 I N 0.490 121.075 120.570 0.025 0.000 2.286 286 I HA -0.229 3.938 4.170 -0.005 0.000 0.248 286 I C 2.549 178.627 176.117 -0.064 0.000 1.115 286 I CA 0.988 62.278 61.300 -0.017 0.000 1.392 286 I CB -1.223 36.804 38.000 0.045 0.000 1.065 286 I HN 0.377 nan 8.210 nan 0.000 0.418 287 L N 0.217 121.414 121.223 -0.044 0.000 2.043 287 L HA -0.256 4.082 4.340 -0.005 0.000 0.212 287 L C 2.615 179.441 176.870 -0.074 0.000 1.075 287 L CA 1.486 56.302 54.840 -0.041 0.000 0.752 287 L CB -0.525 41.524 42.059 -0.017 0.000 0.891 287 L HN 0.202 nan 8.230 nan 0.000 0.432 288 S N -0.900 114.727 115.700 -0.122 0.000 2.371 288 S HA -0.108 4.360 4.470 -0.005 0.000 0.224 288 S C 2.002 176.497 174.600 -0.174 0.000 1.029 288 S CA 0.982 59.093 58.200 -0.149 0.000 0.978 288 S CB -0.136 62.961 63.200 -0.171 0.000 0.833 288 S HN 0.161 nan 8.310 nan 0.000 0.466 289 V N 2.242 122.007 119.914 -0.247 0.000 2.343 289 V HA -0.191 3.927 4.120 -0.005 0.000 0.247 289 V C 2.219 178.257 176.094 -0.093 0.000 1.051 289 V CA 1.621 63.814 62.300 -0.179 0.000 1.036 289 V CB -0.569 31.155 31.823 -0.164 0.000 0.654 289 V HN 0.430 nan 8.190 nan 0.000 0.451 290 K N -0.472 119.882 120.400 -0.076 0.000 2.148 290 K HA -0.136 4.181 4.320 -0.005 0.000 0.204 290 K C 2.181 178.754 176.600 -0.045 0.000 1.050 290 K CA 1.039 57.298 56.287 -0.046 0.000 0.942 290 K CB -0.108 32.372 32.500 -0.033 0.000 0.724 290 K HN 0.416 nan 8.250 nan 0.000 0.446 291 E N 0.539 120.705 120.200 -0.056 0.000 2.107 291 E HA -0.096 4.251 4.350 -0.005 0.000 0.191 291 E C 1.997 178.565 176.600 -0.054 0.000 0.982 291 E CA 0.917 57.286 56.400 -0.050 0.000 0.809 291 E CB -0.113 29.555 29.700 -0.052 0.000 0.756 291 E HN 0.279 nan 8.360 nan 0.000 0.459 292 A N 1.186 123.967 122.820 -0.065 0.000 1.930 292 A HA -0.121 4.197 4.320 -0.005 0.000 0.217 292 A C 2.313 179.869 177.584 -0.047 0.000 1.175 292 A CA 0.906 52.906 52.037 -0.062 0.000 0.627 292 A CB -0.589 18.369 19.000 -0.070 0.000 0.815 292 A HN 0.159 nan 8.150 nan 0.000 0.443 293 I N -0.235 120.310 120.570 -0.042 0.000 2.179 293 I HA -0.291 3.876 4.170 -0.005 0.000 0.242 293 I C 2.997 179.097 176.117 -0.027 0.000 1.088 293 I CA 1.136 62.418 61.300 -0.030 0.000 1.357 293 I CB -0.395 37.590 38.000 -0.025 0.000 1.051 293 I HN 0.354 nan 8.210 nan 0.000 0.409 294 A N 0.449 123.252 122.820 -0.028 0.000 1.902 294 A HA -0.234 4.083 4.320 -0.005 0.000 0.217 294 A C 2.210 179.778 177.584 -0.027 0.000 1.181 294 A CA 1.742 53.765 52.037 -0.025 0.000 0.623 294 A CB -0.643 18.343 19.000 -0.024 0.000 0.818 294 A HN 0.448 nan 8.150 nan 0.000 0.443 295 E N -0.132 120.048 120.200 -0.034 0.000 2.049 295 E HA -0.204 4.143 4.350 -0.005 0.000 0.198 295 E C 1.992 178.573 176.600 -0.032 0.000 1.007 295 E CA 1.403 57.782 56.400 -0.035 0.000 0.809 295 E CB -0.365 29.307 29.700 -0.047 0.000 0.749 295 E HN 0.620 nan 8.360 nan 0.000 0.450 296 L N 0.891 122.095 121.223 -0.033 0.000 2.083 296 L HA -0.200 4.138 4.340 -0.005 0.000 0.209 296 L C 2.314 179.170 176.870 -0.023 0.000 1.083 296 L CA 1.212 56.034 54.840 -0.030 0.000 0.752 296 L CB -0.493 41.548 42.059 -0.029 0.000 0.899 296 L HN 0.175 nan 8.230 nan 0.000 0.433 297 E N 0.243 120.431 120.200 -0.020 0.000 2.209 297 E HA -0.214 4.133 4.350 -0.005 0.000 0.196 297 E C 2.151 178.744 176.600 -0.013 0.000 0.993 297 E CA 1.035 57.426 56.400 -0.015 0.000 0.819 297 E CB -0.119 29.573 29.700 -0.014 0.000 0.745 297 E HN 0.501 nan 8.360 nan 0.000 0.477 298 A N 0.826 123.638 122.820 -0.014 0.000 2.172 298 A HA -0.069 4.248 4.320 -0.005 0.000 0.216 298 A C 2.114 179.694 177.584 -0.006 0.000 1.154 298 A CA 1.311 53.342 52.037 -0.010 0.000 0.701 298 A CB -0.038 18.955 19.000 -0.012 0.000 0.789 298 A HN 0.240 nan 8.150 nan 0.000 0.465 299 V N -6.132 113.776 119.914 -0.009 0.000 3.382 299 V HA 0.331 4.448 4.120 -0.005 0.000 0.296 299 V C 0.323 176.411 176.094 -0.009 0.000 1.529 299 V CA -0.503 61.793 62.300 -0.007 0.000 1.048 299 V CB -0.980 30.837 31.823 -0.009 0.000 0.878 299 V HN 0.281 nan 8.190 nan 0.000 0.442 300 C N 0.948 120.241 119.300 -0.011 0.000 2.486 300 C HA 0.673 5.130 4.460 -0.005 0.000 0.348 300 C C 0.412 175.397 174.990 -0.007 0.000 1.203 300 C CA -0.987 58.024 59.018 -0.011 0.000 1.911 300 C CB 1.636 29.367 27.740 -0.015 0.000 2.340 300 C HN 0.541 nan 8.230 nan 0.000 0.511 301 L N 3.169 124.388 121.223 -0.006 0.000 2.499 301 L HA 0.162 4.499 4.340 -0.005 0.000 0.273 301 L C -2.003 174.864 176.870 -0.004 0.000 1.195 301 L CA -0.845 53.993 54.840 -0.004 0.000 0.882 301 L CB 0.035 42.092 42.059 -0.003 0.000 1.133 301 L HN 0.399 nan 8.230 nan 0.000 0.483 302 P HA -0.012 nan 4.420 nan 0.000 0.264 302 P C 0.755 178.053 177.300 -0.003 0.000 1.183 302 P CA 0.720 63.818 63.100 -0.004 0.000 0.763 302 P CB 0.647 32.345 31.700 -0.003 0.000 0.807 303 G N 2.516 111.314 108.800 -0.004 0.000 2.168 303 G HA2 -0.317 3.640 3.960 -0.005 0.000 0.263 303 G HA3 -0.317 3.640 3.960 -0.005 0.000 0.263 303 G C 1.030 175.928 174.900 -0.003 0.000 0.977 303 G CA 0.670 45.769 45.100 -0.003 0.000 0.659 303 G HN 0.630 nan 8.290 nan 0.000 0.533 304 S N -1.430 114.267 115.700 -0.004 0.000 2.524 304 S HA 0.436 4.903 4.470 -0.005 0.000 0.216 304 S C 0.891 175.488 174.600 -0.006 0.000 0.987 304 S CA 0.645 58.842 58.200 -0.005 0.000 0.909 304 S CB 0.584 63.781 63.200 -0.005 0.000 0.781 304 S HN 0.822 nan 8.310 nan 0.000 0.521 305 V N 3.673 123.582 119.914 -0.007 0.000 2.427 305 V HA 0.526 4.644 4.120 -0.005 0.000 0.268 305 V C 0.178 176.269 176.094 -0.006 0.000 1.046 305 V CA -0.299 61.995 62.300 -0.009 0.000 0.970 305 V CB 0.388 32.204 31.823 -0.012 0.000 1.001 305 V HN 0.486 nan 8.190 nan 0.000 0.476 306 V N 3.441 123.353 119.914 -0.005 0.000 3.007 306 V HA 0.725 4.842 4.120 -0.005 0.000 0.311 306 V C -0.545 175.550 176.094 0.001 0.000 1.120 306 V CA -0.859 61.440 62.300 -0.001 0.000 0.980 306 V CB 2.178 34.001 31.823 0.001 0.000 1.033 306 V HN 0.371 nan 8.190 nan 0.000 0.429 307 V N 3.215 123.131 119.914 0.005 0.000 2.406 307 V HA 0.393 4.510 4.120 -0.005 0.000 0.272 307 V C 0.982 177.083 176.094 0.012 0.000 1.043 307 V CA 0.090 62.397 62.300 0.010 0.000 0.915 307 V CB 0.663 32.496 31.823 0.017 0.000 0.988 307 V HN 1.086 nan 8.190 nan 0.000 0.466 308 E N 2.386 122.594 120.200 0.013 0.000 2.340 308 E HA 0.050 4.397 4.350 -0.005 0.000 0.194 308 E C -0.039 176.570 176.600 0.015 0.000 0.996 308 E CA 0.409 56.816 56.400 0.012 0.000 0.869 308 E CB 0.545 30.252 29.700 0.011 0.000 0.835 308 E HN 0.816 nan 8.360 nan 0.000 0.493 309 D N 0.290 120.703 120.400 0.021 0.000 2.763 309 D HA 0.178 4.815 4.640 -0.005 0.000 0.235 309 D C -1.827 174.494 176.300 0.034 0.000 1.334 309 D CA -0.611 53.402 54.000 0.022 0.000 0.950 309 D CB 1.296 42.108 40.800 0.021 0.000 1.433 309 D HN -0.141 nan 8.370 nan 0.000 0.580 310 L N 5.472 126.710 121.223 0.026 0.000 2.262 310 L HA 0.530 4.867 4.340 -0.005 0.000 0.288 310 L C 0.260 177.133 176.870 0.006 0.000 1.035 310 L CA -0.287 54.577 54.840 0.040 0.000 0.820 310 L CB 0.750 42.828 42.059 0.030 0.000 1.204 310 L HN 0.844 nan 8.230 nan 0.000 0.424 311 M N 3.883 123.487 119.600 0.007 0.000 2.303 311 M HA -0.217 4.260 4.480 -0.005 0.000 0.189 311 M C -0.774 175.416 176.300 -0.184 0.000 0.688 311 M CA 0.993 56.156 55.300 -0.228 0.000 0.479 311 M CB -0.756 31.707 32.600 -0.229 0.000 1.094 311 M HN 0.818 nan 8.290 nan 0.000 0.907 312 S N -0.544 115.089 115.700 -0.113 0.000 2.617 312 S HA 0.749 5.216 4.470 -0.005 0.000 0.283 312 S C 0.174 174.726 174.600 -0.079 0.000 1.189 312 S CA -1.057 57.095 58.200 -0.080 0.000 1.036 312 S CB 2.073 65.252 63.200 -0.036 0.000 1.014 312 S HN 0.325 nan 8.310 nan 0.000 0.522 313 V N 2.978 122.854 119.914 -0.062 0.000 2.555 313 V HA 0.382 4.499 4.120 -0.005 0.000 0.286 313 V C 0.137 176.221 176.094 -0.017 0.000 1.044 313 V CA -0.413 61.860 62.300 -0.045 0.000 1.026 313 V CB -0.004 31.790 31.823 -0.049 0.000 0.981 313 V HN 0.750 nan 8.190 nan 0.000 0.480 314 R N 3.836 124.340 120.500 0.007 0.000 2.437 314 R HA 0.456 4.794 4.340 -0.005 0.000 0.310 314 R C -0.746 175.555 176.300 0.002 0.000 0.955 314 R CA -0.780 55.336 56.100 0.028 0.000 0.851 314 R CB 1.637 31.985 30.300 0.080 0.000 1.161 314 R HN 0.604 nan 8.270 nan 0.000 0.446 315 Q N 3.027 122.821 119.800 -0.010 0.000 2.296 315 Q HA 0.321 4.658 4.340 -0.005 0.000 0.257 315 Q C 0.055 176.046 176.000 -0.016 0.000 0.942 315 Q CA -0.204 55.578 55.803 -0.035 0.000 0.939 315 Q CB 1.680 30.399 28.738 -0.030 0.000 1.198 315 Q HN 0.217 nan 8.270 nan 0.000 0.429 316 R N 1.620 122.098 120.500 -0.037 0.000 2.674 316 R HA 0.317 4.654 4.340 -0.005 0.000 0.270 316 R C 0.754 177.046 176.300 -0.013 0.000 1.492 316 R CA 0.237 56.344 56.100 0.012 0.000 1.624 316 R CB 0.623 30.996 30.300 0.122 0.000 1.307 316 R HN 0.941 nan 8.270 nan 0.000 0.683 317 G N 1.301 110.075 108.800 -0.043 0.000 3.377 317 G HA2 -0.454 3.504 3.960 -0.005 0.000 0.304 317 G HA3 -0.454 3.504 3.960 -0.005 0.000 0.304 317 G C 0.903 175.787 174.900 -0.028 0.000 1.366 317 G CA 0.857 45.923 45.100 -0.056 0.000 1.020 317 G HN 0.463 nan 8.290 nan 0.000 0.621 318 S N 0.404 116.106 115.700 0.003 0.000 2.527 318 S HA 0.482 4.949 4.470 -0.005 0.000 0.222 318 S C 0.886 175.478 174.600 -0.013 0.000 0.985 318 S CA 1.409 59.618 58.200 0.014 0.000 0.921 318 S CB -0.050 63.174 63.200 0.041 0.000 0.772 318 S HN 2.112 nan 8.310 nan 0.000 0.529 319 V N -0.575 119.300 119.914 -0.066 0.000 3.078 319 V HA 0.741 4.858 4.120 -0.005 0.000 0.311 319 V C -1.397 174.504 176.094 -0.322 0.000 1.138 319 V CA -1.255 60.941 62.300 -0.175 0.000 1.007 319 V CB 1.762 33.478 31.823 -0.178 0.000 1.045 319 V HN 0.464 nan 8.190 nan 0.000 0.432 320 Q N 1.137 120.706 119.800 -0.386 0.000 2.397 320 Q HA 0.710 5.048 4.340 -0.005 0.000 0.275 320 Q C -1.601 174.145 176.000 -0.423 0.000 1.090 320 Q CA -0.881 54.709 55.803 -0.356 0.000 0.809 320 Q CB 2.882 31.528 28.738 -0.154 0.000 1.362 320 Q HN 0.904 nan 8.270 nan 0.000 0.431 321 H N 1.074 120.145 119.070 0.001 0.000 2.928 321 H HA 0.441 4.995 4.556 -0.003 0.000 0.371 321 H C -0.586 174.722 175.328 -0.033 0.000 1.186 321 H CA -0.850 55.200 56.048 0.004 0.000 1.134 321 H CB 1.633 31.414 29.762 0.033 0.000 1.824 321 H HN 0.563 nan 8.280 nan 0.000 0.554 322 L N 1.130 122.396 121.223 0.071 0.000 2.416 322 L HA 0.442 4.779 4.340 -0.005 0.000 0.272 322 L C 0.986 177.815 176.870 -0.068 0.000 1.161 322 L CA -0.047 54.699 54.840 -0.157 0.000 0.845 322 L CB 0.674 42.476 42.059 -0.428 0.000 1.119 322 L HN 0.664 nan 8.230 nan 0.000 0.464 323 G N 1.290 110.042 108.800 -0.080 0.000 2.638 323 G HA2 0.618 4.576 3.960 -0.005 0.000 0.302 323 G HA3 0.618 4.576 3.960 -0.005 0.000 0.302 323 G C -1.368 173.616 174.900 0.140 0.000 1.365 323 G CA -0.288 44.893 45.100 0.134 0.000 0.987 323 G HN 0.474 nan 8.290 nan 0.000 0.495 324 S N -0.882 114.968 115.700 0.249 0.000 2.542 324 S HA 0.804 5.272 4.470 -0.005 0.000 0.293 324 S C 0.133 174.781 174.600 0.081 0.000 1.089 324 S CA -0.511 57.789 58.200 0.166 0.000 0.961 324 S CB 2.065 65.401 63.200 0.228 0.000 1.062 324 S HN 1.057 nan 8.310 nan 0.000 0.483 325 G N 1.111 109.942 108.800 0.051 0.000 2.370 325 G HA2 0.593 4.550 3.960 -0.005 0.000 0.317 325 G HA3 0.593 4.550 3.960 -0.005 0.000 0.317 325 G C -1.023 173.887 174.900 0.017 0.000 1.162 325 G CA -0.425 44.692 45.100 0.028 0.000 0.922 325 G HN 0.570 nan 8.290 nan 0.000 0.454 326 V N 1.643 121.560 119.914 0.005 0.000 2.604 326 V HA 0.808 4.925 4.120 -0.005 0.000 0.305 326 V C 0.147 176.236 176.094 -0.008 0.000 1.043 326 V CA -0.727 61.571 62.300 -0.003 0.000 0.888 326 V CB 1.556 33.370 31.823 -0.014 0.000 0.995 326 V HN 1.065 nan 8.190 nan 0.000 0.429 327 S N 2.192 117.887 115.700 -0.008 0.000 2.627 327 S HA 1.012 5.480 4.470 -0.005 0.000 0.283 327 S C -0.381 174.211 174.600 -0.013 0.000 1.127 327 S CA -0.135 58.058 58.200 -0.011 0.000 0.863 327 S CB 2.339 65.535 63.200 -0.006 0.000 1.121 327 S HN 1.445 nan 8.310 nan 0.000 0.479 328 G N 0.034 108.824 108.800 -0.016 0.000 2.645 328 G HA2 0.585 4.542 3.960 -0.005 0.000 0.292 328 G HA3 0.585 4.542 3.960 -0.005 0.000 0.292 328 G C -2.135 172.755 174.900 -0.016 0.000 1.415 328 G CA -0.690 44.401 45.100 -0.015 0.000 0.785 328 G HN 0.598 nan 8.290 nan 0.000 0.483 329 Q N 0.534 120.326 119.800 -0.013 0.000 2.333 329 Q HA 0.391 4.728 4.340 -0.005 0.000 0.265 329 Q C -0.131 175.860 176.000 -0.014 0.000 0.989 329 Q CA -0.523 55.273 55.803 -0.012 0.000 0.842 329 Q CB 2.352 31.086 28.738 -0.007 0.000 1.262 329 Q HN 0.469 nan 8.270 nan 0.000 0.451 330 L N 1.644 122.857 121.223 -0.017 0.000 2.514 330 L HA 0.061 4.399 4.340 -0.005 0.000 0.280 330 L C 0.793 177.659 176.870 -0.007 0.000 1.223 330 L CA 0.011 54.841 54.840 -0.016 0.000 0.864 330 L CB 0.252 42.299 42.059 -0.020 0.000 1.118 330 L HN 0.622 nan 8.230 nan 0.000 0.494 331 A N 2.543 125.361 122.820 -0.004 0.000 2.386 331 A HA 0.386 4.703 4.320 -0.005 0.000 0.246 331 A C 1.273 178.861 177.584 0.005 0.000 1.089 331 A CA 0.328 52.366 52.037 0.001 0.000 0.790 331 A CB 0.251 19.253 19.000 0.002 0.000 1.042 331 A HN 0.918 nan 8.150 nan 0.000 0.497 332 E N 0.949 121.153 120.200 0.006 0.000 2.118 332 E HA -0.238 4.109 4.350 -0.005 0.000 0.195 332 E C 0.965 177.573 176.600 0.014 0.000 0.992 332 E CA 1.731 58.136 56.400 0.009 0.000 0.804 332 E CB -0.892 28.812 29.700 0.007 0.000 0.741 332 E HN 0.846 nan 8.360 nan 0.000 0.458 333 N N 0.139 118.848 118.700 0.015 0.000 2.295 333 N HA 0.083 4.820 4.740 -0.005 0.000 0.221 333 N C -0.466 175.062 175.510 0.029 0.000 1.129 333 N CA 0.011 53.074 53.050 0.020 0.000 0.836 333 N CB 0.647 39.144 38.487 0.017 0.000 1.040 333 N HN 0.060 nan 8.380 nan 0.000 0.494 334 K N 1.182 121.599 120.400 0.028 0.000 2.397 334 K HA 0.264 4.581 4.320 -0.005 0.000 0.253 334 K C -0.792 175.830 176.600 0.037 0.000 0.932 334 K CA -0.473 55.834 56.287 0.034 0.000 0.795 334 K CB 2.271 34.782 32.500 0.018 0.000 1.159 334 K HN 0.275 nan 8.250 nan 0.000 0.424 335 D N -0.104 120.334 120.400 0.063 0.000 2.506 335 D HA 0.384 5.021 4.640 -0.005 0.000 0.254 335 D C 0.822 177.125 176.300 0.005 0.000 1.089 335 D CA -0.772 53.267 54.000 0.065 0.000 1.050 335 D CB 0.616 41.507 40.800 0.150 0.000 1.221 335 D HN 0.269 nan 8.370 nan 0.000 0.589 336 A N -0.535 122.232 122.820 -0.088 0.000 2.024 336 A HA -0.114 4.203 4.320 -0.005 0.000 0.220 336 A C 1.816 179.108 177.584 -0.487 0.000 1.164 336 A CA 1.058 52.866 52.037 -0.382 0.000 0.643 336 A CB -1.158 17.547 19.000 -0.492 0.000 0.806 336 A HN 0.705 nan 8.150 nan 0.000 0.451 337 W N 0.196 121.511 121.300 0.025 0.000 2.436 337 W HA -0.049 4.607 4.660 -0.007 0.000 0.284 337 W C 1.791 178.392 176.519 0.136 0.000 1.225 337 W CA 0.647 58.073 57.345 0.135 0.000 1.271 337 W CB -0.071 29.501 29.460 0.188 0.000 1.114 337 W HN 0.293 nan 8.180 nan 0.000 0.559 338 D N 0.175 120.728 120.400 0.254 0.000 2.117 338 D HA -0.133 4.504 4.640 -0.005 0.000 0.198 338 D C 2.237 178.594 176.300 0.094 0.000 0.982 338 D CA 1.748 55.845 54.000 0.163 0.000 0.828 338 D CB -0.705 40.157 40.800 0.103 0.000 0.967 338 D HN 0.128 nan 8.370 nan 0.000 0.464 339 A N 0.771 123.601 122.820 0.017 0.000 1.877 339 A HA -0.183 4.134 4.320 -0.005 0.000 0.216 339 A C 2.095 179.665 177.584 -0.025 0.000 1.186 339 A CA 1.013 53.022 52.037 -0.045 0.000 0.620 339 A CB -1.028 17.894 19.000 -0.130 0.000 0.822 339 A HN 0.234 nan 8.150 nan 0.000 0.443 340 F N 1.793 121.622 119.950 -0.202 0.000 2.134 340 F HA -0.186 4.341 4.527 -0.000 0.000 0.299 340 F C 2.744 178.621 175.800 0.127 0.000 1.097 340 F CA 2.403 60.325 58.000 -0.131 0.000 1.264 340 F CB -0.530 38.302 39.000 -0.280 0.000 1.001 340 F HN 0.346 nan 8.300 nan 0.000 0.479 341 T N -2.325 112.360 114.554 0.218 0.000 2.867 341 T HA -0.108 4.239 4.350 -0.005 0.000 0.268 341 T C 1.979 176.717 174.700 0.064 0.000 1.057 341 T CA 1.517 63.743 62.100 0.210 0.000 1.136 341 T CB -1.088 67.943 68.868 0.272 0.000 0.874 341 T HN 0.118 nan 8.240 nan 0.000 0.466 342 V N 1.346 121.276 119.914 0.026 0.000 2.323 342 V HA 0.069 4.187 4.120 -0.005 0.000 0.244 342 V C 2.741 178.806 176.094 -0.048 0.000 1.041 342 V CA 1.385 63.678 62.300 -0.012 0.000 1.025 342 V CB -0.592 31.224 31.823 -0.011 0.000 0.656 342 V HN 0.448 nan 8.190 nan 0.000 0.451 343 L N -1.616 119.562 121.223 -0.076 0.000 2.376 343 L HA 0.039 4.376 4.340 -0.005 0.000 0.219 343 L C 0.930 177.714 176.870 -0.144 0.000 1.133 343 L CA 0.494 55.271 54.840 -0.104 0.000 0.816 343 L CB -0.135 41.867 42.059 -0.095 0.000 0.933 343 L HN 0.283 nan 8.230 nan 0.000 0.449 344 F N 1.360 121.093 119.950 -0.362 0.000 2.385 344 F HA 0.390 4.914 4.527 -0.006 0.000 0.336 344 F C -2.087 173.590 175.800 -0.205 0.000 1.100 344 F CA -2.839 54.926 58.000 -0.391 0.000 1.116 344 F CB 0.823 39.358 39.000 -0.775 0.000 1.166 344 F HN -0.278 nan 8.300 nan 0.000 0.511 345 P HA 0.124 nan 4.420 nan 0.000 0.275 345 P C -0.949 176.040 177.300 -0.519 0.000 1.266 345 P CA -0.431 61.930 63.100 -1.232 0.000 0.793 345 P CB 0.477 31.653 31.700 -0.873 0.000 1.074 346 S N 0.315 115.781 115.700 -0.391 0.000 2.593 346 S HA -0.043 4.425 4.470 -0.005 0.000 0.300 346 S C 1.753 176.240 174.600 -0.187 0.000 1.267 346 S CA -0.001 58.068 58.200 -0.218 0.000 1.065 346 S CB -0.681 62.419 63.200 -0.167 0.000 0.807 346 S HN 0.298 nan 8.310 nan 0.000 0.499 347 I N 2.847 123.332 120.570 -0.142 0.000 2.236 347 I HA -0.276 3.891 4.170 -0.005 0.000 0.249 347 I C 2.677 178.735 176.117 -0.098 0.000 1.102 347 I CA 1.760 62.993 61.300 -0.111 0.000 1.365 347 I CB -0.697 37.246 38.000 -0.096 0.000 1.051 347 I HN 0.796 nan 8.210 nan 0.000 0.420 348 T N -1.906 112.586 114.554 -0.103 0.000 3.118 348 T HA 0.155 4.503 4.350 -0.005 0.000 0.260 348 T C 1.328 175.975 174.700 -0.088 0.000 1.139 348 T CA 0.694 62.742 62.100 -0.088 0.000 1.085 348 T CB 0.008 68.821 68.868 -0.092 0.000 0.934 348 T HN 0.363 nan 8.240 nan 0.000 0.518 349 A N 0.539 123.288 122.820 -0.119 0.000 2.431 349 A HA 0.589 4.906 4.320 -0.005 0.000 0.239 349 A C 1.997 179.522 177.584 -0.097 0.000 1.230 349 A CA 0.400 52.355 52.037 -0.137 0.000 0.928 349 A CB 0.203 19.066 19.000 -0.230 0.000 1.006 349 A HN 0.591 nan 8.150 nan 0.000 0.520 350 S N -2.110 113.548 115.700 -0.071 0.000 3.829 350 S HA 0.666 5.133 4.470 -0.005 0.000 0.201 350 S C 0.868 175.446 174.600 -0.036 0.000 1.005 350 S CA 0.667 58.853 58.200 -0.023 0.000 0.935 350 S CB 0.168 63.344 63.200 -0.040 0.000 1.181 350 S HN 1.825 nan 8.310 nan 0.000 0.622 351 G N 0.624 109.393 108.800 -0.052 0.000 2.362 351 G HA2 0.384 4.341 3.960 -0.005 0.000 0.288 351 G HA3 0.384 4.341 3.960 -0.005 0.000 0.288 351 G C -2.294 172.584 174.900 -0.037 0.000 1.305 351 G CA -0.616 44.460 45.100 -0.039 0.000 0.910 351 G HN 0.644 nan 8.290 nan 0.000 0.518 352 I N 1.085 121.652 120.570 -0.004 0.000 2.534 352 I HA 0.397 4.564 4.170 -0.005 0.000 0.288 352 I C -2.534 173.620 176.117 0.061 0.000 1.077 352 I CA -2.111 59.196 61.300 0.011 0.000 1.051 352 I CB 2.951 40.959 38.000 0.013 0.000 1.234 352 I HN 0.210 nan 8.210 nan 0.000 0.425 353 P HA 0.094 nan 4.420 nan 0.000 0.272 353 P C 0.358 177.642 177.300 -0.027 0.000 1.223 353 P CA -0.447 62.655 63.100 0.005 0.000 0.784 353 P CB 0.979 32.687 31.700 0.013 0.000 0.923 354 K N 2.137 122.511 120.400 -0.042 0.000 2.026 354 K HA -0.194 4.124 4.320 -0.005 0.000 0.208 354 K C 1.321 177.876 176.600 -0.074 0.000 1.048 354 K CA 1.676 57.924 56.287 -0.065 0.000 0.929 354 K CB -0.297 32.159 32.500 -0.073 0.000 0.713 354 K HN 0.258 nan 8.250 nan 0.000 0.439 355 N N 0.723 119.386 118.700 -0.062 0.000 2.188 355 N HA -0.107 4.631 4.740 -0.005 0.000 0.184 355 N C 1.608 177.079 175.510 -0.066 0.000 1.018 355 N CA 1.311 54.323 53.050 -0.064 0.000 0.858 355 N CB -0.369 38.089 38.487 -0.049 0.000 0.989 355 N HN 0.338 nan 8.380 nan 0.000 0.426 356 A N 0.789 123.572 122.820 -0.061 0.000 1.930 356 A HA 0.124 4.441 4.320 -0.005 0.000 0.217 356 A C 2.325 179.763 177.584 -0.244 0.000 1.175 356 A CA 1.638 53.626 52.037 -0.081 0.000 0.627 356 A CB -0.690 18.314 19.000 0.007 0.000 0.815 356 A HN 0.292 nan 8.150 nan 0.000 0.443 357 A N 0.020 122.685 122.820 -0.258 0.000 1.873 357 A HA -0.034 4.283 4.320 -0.005 0.000 0.215 357 A C 2.131 179.605 177.584 -0.184 0.000 1.186 357 A CA 1.413 53.246 52.037 -0.340 0.000 0.616 357 A CB -0.668 18.219 19.000 -0.190 0.000 0.823 357 A HN 0.461 nan 8.150 nan 0.000 0.442 358 L N -0.104 121.067 121.223 -0.086 0.000 2.043 358 L HA -0.261 4.076 4.340 -0.005 0.000 0.212 358 L C 2.450 179.328 176.870 0.013 0.000 1.075 358 L CA 1.474 56.316 54.840 0.002 0.000 0.752 358 L CB -0.720 41.297 42.059 -0.072 0.000 0.891 358 L HN 0.473 nan 8.230 nan 0.000 0.432 359 N N -0.003 118.669 118.700 -0.045 0.000 2.142 359 N HA -0.139 4.598 4.740 -0.005 0.000 0.186 359 N C 1.908 177.399 175.510 -0.031 0.000 1.023 359 N CA 1.507 54.544 53.050 -0.021 0.000 0.852 359 N CB -0.074 38.398 38.487 -0.024 0.000 0.998 359 N HN 0.319 nan 8.380 nan 0.000 0.424 360 A N 1.571 124.310 122.820 -0.134 0.000 1.902 360 A HA -0.098 4.220 4.320 -0.005 0.000 0.217 360 A C 2.316 179.870 177.584 -0.050 0.000 1.181 360 A CA 0.925 52.881 52.037 -0.136 0.000 0.623 360 A CB -0.685 18.033 19.000 -0.469 0.000 0.818 360 A HN 0.193 nan 8.150 nan 0.000 0.443 361 I N -0.813 119.734 120.570 -0.039 0.000 2.163 361 I HA -0.338 3.829 4.170 -0.005 0.000 0.243 361 I C 2.714 178.865 176.117 0.056 0.000 1.085 361 I CA 1.859 63.171 61.300 0.021 0.000 1.347 361 I CB -0.252 37.793 38.000 0.076 0.000 1.044 361 I HN 0.347 nan 8.210 nan 0.000 0.408 362 M N -0.627 119.035 119.600 0.103 0.000 2.296 362 M HA -0.191 4.286 4.480 -0.005 0.000 0.265 362 M C 2.202 178.542 176.300 0.066 0.000 1.064 362 M CA 1.281 56.649 55.300 0.113 0.000 1.109 362 M CB -0.205 32.484 32.600 0.149 0.000 1.396 362 M HN 0.233 nan 8.290 nan 0.000 0.430 363 Q N 0.054 119.882 119.800 0.046 0.000 2.137 363 Q HA 0.037 4.374 4.340 -0.005 0.000 0.198 363 Q C 1.948 177.966 176.000 0.031 0.000 0.960 363 Q CA 1.374 57.200 55.803 0.038 0.000 0.847 363 Q CB 0.011 28.773 28.738 0.040 0.000 0.915 363 Q HN 0.583 nan 8.270 nan 0.000 0.448 364 I N 0.076 120.663 120.570 0.028 0.000 2.731 364 I HA -0.045 4.122 4.170 -0.005 0.000 0.260 364 I C 0.523 176.648 176.117 0.014 0.000 1.138 364 I CA 0.247 61.559 61.300 0.021 0.000 1.461 364 I CB 0.274 38.288 38.000 0.023 0.000 1.128 364 I HN 0.040 nan 8.210 nan 0.000 0.438 365 E N 1.295 121.501 120.200 0.010 0.000 2.319 365 E HA 0.138 4.485 4.350 -0.005 0.000 0.268 365 E C 0.174 176.769 176.600 -0.009 0.000 1.050 365 E CA -0.278 56.120 56.400 -0.005 0.000 0.878 365 E CB 1.028 30.710 29.700 -0.030 0.000 1.066 365 E HN -0.024 nan 8.360 nan 0.000 0.406 366 K N 0.265 120.649 120.400 -0.027 0.000 2.412 366 K HA 0.105 4.422 4.320 -0.005 0.000 0.202 366 K C 0.127 176.691 176.600 -0.061 0.000 1.102 366 K CA 0.328 56.597 56.287 -0.031 0.000 1.027 366 K CB 0.963 33.449 32.500 -0.023 0.000 0.931 366 K HN 0.610 nan 8.250 nan 0.000 0.557 367 T N 0.698 115.192 114.554 -0.100 0.000 2.885 367 T HA 0.526 4.874 4.350 -0.005 0.000 0.285 367 T C -2.757 171.850 174.700 -0.155 0.000 1.019 367 T CA -2.035 59.967 62.100 -0.163 0.000 1.010 367 T CB 2.248 70.953 68.868 -0.271 0.000 1.022 367 T HN -0.177 nan 8.240 nan 0.000 0.466 368 P HA 0.280 nan 4.420 nan 0.000 0.271 368 P C 0.586 177.782 177.300 -0.174 0.000 1.220 368 P CA -0.521 62.524 63.100 -0.092 0.000 0.768 368 P CB 1.107 32.786 31.700 -0.036 0.000 0.848 369 R N 1.587 122.015 120.500 -0.121 0.000 2.120 369 R HA -0.136 4.201 4.340 -0.005 0.000 0.234 369 R C 0.806 177.031 176.300 -0.125 0.000 1.123 369 R CA 0.776 56.807 56.100 -0.115 0.000 0.975 369 R CB -0.096 30.043 30.300 -0.268 0.000 0.866 369 R HN 0.569 nan 8.270 nan 0.000 0.446 370 E N -1.044 119.098 120.200 -0.095 0.000 3.221 370 E HA -0.326 4.021 4.350 -0.005 0.000 0.410 370 E C 1.087 177.605 176.600 -0.135 0.000 1.531 370 E CA 1.830 58.115 56.400 -0.192 0.000 1.285 370 E CB -1.364 27.931 29.700 -0.676 0.000 1.542 370 E HN 0.233 nan 8.360 nan 0.000 0.482 371 L N 0.884 121.854 121.223 -0.421 0.000 2.418 371 L HA 0.095 4.432 4.340 -0.005 0.000 0.218 371 L C 0.985 177.782 176.870 -0.121 0.000 1.125 371 L CA 0.854 55.593 54.840 -0.168 0.000 0.835 371 L CB -0.367 41.658 42.059 -0.058 0.000 0.953 371 L HN 0.391 nan 8.230 nan 0.000 0.454 372 Y N 1.051 121.074 120.300 -0.462 0.000 2.717 372 Y HA 0.188 4.736 4.550 -0.004 0.000 0.330 372 Y C 1.466 177.327 175.900 -0.066 0.000 1.217 372 Y CA 0.306 58.297 58.100 -0.182 0.000 1.506 372 Y CB 0.303 38.628 38.460 -0.225 0.000 1.268 372 Y HN 0.462 nan 8.280 nan 0.000 0.561 373 S N 1.114 116.296 115.700 -0.863 0.000 3.127 373 S HA -0.216 4.251 4.470 -0.005 0.000 0.281 373 S C 0.558 175.028 174.600 -0.216 0.000 1.293 373 S CA 0.673 58.495 58.200 -0.630 0.000 1.156 373 S CB -2.386 60.413 63.200 -0.667 0.000 1.389 373 S HN 1.448 nan 8.310 nan 0.000 0.672 374 G N 1.012 109.801 108.800 -0.019 0.000 2.582 374 G HA2 0.789 4.746 3.960 -0.005 0.000 0.232 374 G HA3 0.789 4.746 3.960 -0.005 0.000 0.232 374 G C -0.024 175.024 174.900 0.247 0.000 1.458 374 G CA -0.280 44.982 45.100 0.270 0.000 1.062 374 G HN 1.693 nan 8.290 nan 0.000 0.566 375 A N -1.215 121.788 122.820 0.305 0.000 2.475 375 A HA 0.666 4.983 4.320 -0.005 0.000 0.301 375 A C -1.029 176.505 177.584 -0.084 0.000 1.059 375 A CA -0.527 51.622 52.037 0.187 0.000 0.710 375 A CB 1.479 20.767 19.000 0.481 0.000 1.288 375 A HN 0.421 nan 8.150 nan 0.000 0.408 376 I N 2.234 122.669 120.570 -0.225 0.000 2.377 376 I HA 0.425 4.592 4.170 -0.005 0.000 0.293 376 I C -0.519 175.470 176.117 -0.213 0.000 0.987 376 I CA -0.273 60.791 61.300 -0.393 0.000 1.185 376 I CB 1.177 38.747 38.000 -0.717 0.000 1.341 376 I HN 0.538 nan 8.210 nan 0.000 0.455 377 L N 6.213 127.265 121.223 -0.285 0.000 2.342 377 L HA 0.624 4.962 4.340 -0.005 0.000 0.271 377 L C -0.840 175.682 176.870 -0.579 0.000 1.008 377 L CA -0.934 53.676 54.840 -0.383 0.000 0.818 377 L CB 2.334 44.114 42.059 -0.466 0.000 1.296 377 L HN 0.311 nan 8.230 nan 0.000 0.427 378 L N 3.509 124.292 121.223 -0.732 0.000 2.404 378 L HA 0.596 4.933 4.340 -0.005 0.000 0.272 378 L C -1.423 175.065 176.870 -0.637 0.000 0.980 378 L CA -0.098 54.230 54.840 -0.853 0.000 0.836 378 L CB 1.681 43.009 42.059 -1.219 0.000 1.238 378 L HN 0.384 nan 8.230 nan 0.000 0.408 379 L N 5.084 125.958 121.223 -0.582 0.000 2.356 379 L HA 0.790 5.127 4.340 -0.005 0.000 0.277 379 L C -0.815 175.863 176.870 -0.320 0.000 0.996 379 L CA -0.276 54.283 54.840 -0.469 0.000 0.822 379 L CB 1.754 43.497 42.059 -0.528 0.000 1.256 379 L HN 0.709 nan 8.230 nan 0.000 0.413 380 D N -1.206 119.053 120.400 -0.235 0.000 2.759 380 D HA 0.264 4.901 4.640 -0.005 0.000 0.321 380 D C 0.049 176.293 176.300 -0.093 0.000 1.267 380 D CA -0.628 53.276 54.000 -0.159 0.000 0.933 380 D CB 0.580 41.273 40.800 -0.178 0.000 1.431 380 D HN 0.191 nan 8.370 nan 0.000 0.504 381 D N -0.864 119.500 120.400 -0.060 0.000 2.190 381 D HA -0.107 4.531 4.640 -0.005 0.000 0.200 381 D C 1.569 177.857 176.300 -0.020 0.000 0.992 381 D CA 2.472 56.454 54.000 -0.031 0.000 0.854 381 D CB -0.326 40.462 40.800 -0.019 0.000 0.936 381 D HN 0.631 nan 8.370 nan 0.000 0.462 382 T N -3.418 111.122 114.554 -0.022 0.000 3.022 382 T HA 0.449 4.796 4.350 -0.005 0.000 0.250 382 T C 1.032 175.726 174.700 -0.010 0.000 1.060 382 T CA 0.170 62.265 62.100 -0.008 0.000 1.013 382 T CB 0.300 69.171 68.868 0.006 0.000 0.982 382 T HN 0.293 nan 8.240 nan 0.000 0.508 383 R N 0.507 120.990 120.500 -0.029 0.000 2.629 383 R HA 0.666 5.003 4.340 -0.005 0.000 0.266 383 R C -2.179 174.105 176.300 -0.027 0.000 1.051 383 R CA -0.993 55.097 56.100 -0.017 0.000 0.895 383 R CB 0.275 30.563 30.300 -0.019 0.000 1.246 383 R HN 0.227 nan 8.270 nan 0.000 0.459 384 F N 2.265 122.104 119.950 -0.185 0.000 2.361 384 F HA 0.606 5.133 4.527 -0.001 0.000 0.364 384 F C -0.698 174.969 175.800 -0.221 0.000 1.117 384 F CA -1.501 56.336 58.000 -0.271 0.000 1.071 384 F CB 1.588 40.374 39.000 -0.356 0.000 1.188 384 F HN 0.695 nan 8.300 nan 0.000 0.464 385 D N 4.441 124.885 120.400 0.074 0.000 2.391 385 D HA 0.682 5.319 4.640 -0.005 0.000 0.245 385 D C -1.405 174.932 176.300 0.062 0.000 1.069 385 D CA -0.270 53.769 54.000 0.065 0.000 0.831 385 D CB 1.609 42.404 40.800 -0.008 0.000 1.204 385 D HN 0.656 nan 8.370 nan 0.000 0.503 386 A N 2.565 125.475 122.820 0.149 0.000 2.375 386 A HA 0.734 5.051 4.320 -0.005 0.000 0.291 386 A C -0.708 176.971 177.584 0.158 0.000 1.160 386 A CA -0.610 51.525 52.037 0.162 0.000 0.747 386 A CB 1.112 20.299 19.000 0.312 0.000 1.170 386 A HN 0.597 nan 8.150 nan 0.000 0.458 387 A N 2.093 124.995 122.820 0.136 0.000 2.306 387 A HA 0.669 4.987 4.320 -0.005 0.000 0.314 387 A C -0.277 177.337 177.584 0.050 0.000 1.164 387 A CA -0.508 51.590 52.037 0.101 0.000 0.822 387 A CB 0.532 19.601 19.000 0.116 0.000 1.130 387 A HN 1.472 nan 8.150 nan 0.000 0.496 388 L N 3.032 124.279 121.223 0.040 0.000 2.380 388 L HA 0.364 4.701 4.340 -0.005 0.000 0.273 388 L C -0.119 176.753 176.870 0.003 0.000 1.138 388 L CA 0.383 55.225 54.840 0.004 0.000 0.832 388 L CB 1.131 43.173 42.059 -0.029 0.000 1.124 388 L HN 0.382 nan 8.230 nan 0.000 0.454 389 V N 7.514 127.411 119.914 -0.028 0.000 2.313 389 V HA 0.295 4.412 4.120 -0.005 0.000 0.252 389 V C 0.330 176.451 176.094 0.045 0.000 1.112 389 V CA -0.036 62.291 62.300 0.045 0.000 0.984 389 V CB -0.596 31.259 31.823 0.052 0.000 1.157 389 V HN 0.604 nan 8.190 nan 0.000 0.493 390 L N 4.039 125.333 121.223 0.118 0.000 2.322 390 L HA 0.741 5.078 4.340 -0.005 0.000 0.252 390 L C 0.173 177.154 176.870 0.185 0.000 1.055 390 L CA -1.403 53.540 54.840 0.171 0.000 0.849 390 L CB 1.708 43.823 42.059 0.094 0.000 1.446 390 L HN 0.322 nan 8.230 nan 0.000 0.416 391 R N -0.463 120.151 120.500 0.190 0.000 3.336 391 R HA -0.119 4.219 4.340 -0.005 0.000 0.260 391 R C -0.965 175.339 176.300 0.007 0.000 1.032 391 R CA 0.240 56.424 56.100 0.140 0.000 0.693 391 R CB -2.722 27.696 30.300 0.197 0.000 1.134 391 R HN 0.680 nan 8.270 nan 0.000 0.433 392 S N -1.155 114.481 115.700 -0.107 0.000 2.627 392 S HA 0.740 5.207 4.470 -0.005 0.000 0.283 392 S C -0.748 173.357 174.600 -0.826 0.000 1.127 392 S CA -0.419 57.512 58.200 -0.447 0.000 0.863 392 S CB 3.379 66.397 63.200 -0.303 0.000 1.121 392 S HN 0.191 nan 8.310 nan 0.000 0.479 393 V N 2.230 121.520 119.914 -1.040 0.000 2.876 393 V HA 0.851 4.968 4.120 -0.005 0.000 0.312 393 V C -2.193 173.231 176.094 -1.117 0.000 1.085 393 V CA -0.626 61.103 62.300 -0.952 0.000 0.945 393 V CB 1.372 32.952 31.823 -0.407 0.000 1.017 393 V HN 0.781 nan 8.190 nan 0.000 0.428 394 F N 4.363 124.013 119.950 -0.499 0.000 2.578 394 F HA 0.774 5.298 4.527 -0.005 0.000 0.311 394 F C -0.166 175.497 175.800 -0.229 0.000 1.094 394 F CA -0.504 57.180 58.000 -0.526 0.000 0.923 394 F CB 2.159 40.214 39.000 -1.576 0.000 1.230 394 F HN 0.614 nan 8.300 nan 0.000 0.450 395 Q N 1.002 121.025 119.800 0.372 0.000 2.352 395 Q HA 0.635 4.972 4.340 -0.005 0.000 0.270 395 Q C -2.313 173.961 176.000 0.458 0.000 1.006 395 Q CA -0.919 55.137 55.803 0.422 0.000 0.880 395 Q CB 3.198 32.082 28.738 0.243 0.000 1.392 395 Q HN 0.675 nan 8.270 nan 0.000 0.401 396 D N 0.938 121.617 120.400 0.464 0.000 2.904 396 D HA 0.256 4.894 4.640 -0.005 0.000 0.290 396 D C 0.725 177.147 176.300 0.205 0.000 1.180 396 D CA 0.032 54.200 54.000 0.280 0.000 1.065 396 D CB 0.164 41.164 40.800 0.333 0.000 1.386 396 D HN 0.482 nan 8.370 nan 0.000 0.599 397 S N -1.419 114.363 115.700 0.137 0.000 2.447 397 S HA -0.181 4.286 4.470 -0.005 0.000 0.233 397 S C 1.362 176.036 174.600 0.123 0.000 1.006 397 S CA 1.204 59.468 58.200 0.107 0.000 0.957 397 S CB -0.469 62.772 63.200 0.068 0.000 0.773 397 S HN 0.506 nan 8.310 nan 0.000 0.507 398 Q N -0.089 119.808 119.800 0.162 0.000 2.423 398 Q HA 0.371 4.708 4.340 -0.005 0.000 0.231 398 Q C 0.518 176.613 176.000 0.159 0.000 0.894 398 Q CA 0.267 56.152 55.803 0.137 0.000 0.938 398 Q CB 0.561 29.370 28.738 0.119 0.000 1.079 398 Q HN 0.399 nan 8.270 nan 0.000 0.552 399 R N -0.705 119.951 120.500 0.260 0.000 2.795 399 R HA 0.618 4.955 4.340 -0.005 0.000 0.275 399 R C -1.701 174.895 176.300 0.493 0.000 0.981 399 R CA -0.652 55.633 56.100 0.309 0.000 0.917 399 R CB 2.431 32.844 30.300 0.187 0.000 1.202 399 R HN 0.036 nan 8.270 nan 0.000 0.469 400 C N 3.295 122.883 119.300 0.481 0.000 2.505 400 C HA 0.761 5.218 4.460 -0.005 0.000 0.342 400 C C -1.771 173.540 174.990 0.535 0.000 1.121 400 C CA -0.610 58.686 59.018 0.464 0.000 1.306 400 C CB -0.217 27.677 27.740 0.256 0.000 1.897 400 C HN 0.964 nan 8.230 nan 0.000 0.446 401 W N 6.572 127.971 121.300 0.166 0.000 3.066 401 W HA 0.764 5.421 4.660 -0.006 0.000 0.330 401 W C -1.481 175.134 176.519 0.160 0.000 1.253 401 W CA -1.255 56.170 57.345 0.134 0.000 1.187 401 W CB 0.412 29.934 29.460 0.104 0.000 1.434 401 W HN 0.799 nan 8.180 nan 0.000 0.572 402 I N 0.477 121.150 120.570 0.172 0.000 2.797 402 I HA 0.751 4.918 4.170 -0.005 0.000 0.307 402 I C -0.968 175.246 176.117 0.162 0.000 1.033 402 I CA -1.195 60.119 61.300 0.022 0.000 1.071 402 I CB 2.153 40.138 38.000 -0.025 0.000 1.255 402 I HN 0.733 nan 8.210 nan 0.000 0.445 403 Q N 2.919 122.761 119.800 0.071 0.000 2.315 403 Q HA 0.810 5.147 4.340 -0.005 0.000 0.273 403 Q C -1.910 173.967 176.000 -0.205 0.000 1.053 403 Q CA -0.654 55.070 55.803 -0.133 0.000 0.817 403 Q CB 2.476 31.000 28.738 -0.358 0.000 1.326 403 Q HN 1.050 nan 8.270 nan 0.000 0.423 404 A N 1.722 124.411 122.820 -0.219 0.000 2.572 404 A HA 0.965 5.283 4.320 -0.005 0.000 0.295 404 A C -0.931 176.618 177.584 -0.057 0.000 1.072 404 A CA 0.033 52.049 52.037 -0.035 0.000 0.691 404 A CB 1.877 20.879 19.000 0.003 0.000 1.291 404 A HN 0.811 nan 8.150 nan 0.000 0.404 405 G N -0.936 107.929 108.800 0.110 0.000 3.086 405 G HA2 0.936 4.893 3.960 -0.005 0.000 0.282 405 G HA3 0.936 4.893 3.960 -0.005 0.000 0.282 405 G C -0.755 174.235 174.900 0.150 0.000 1.343 405 G CA -0.047 45.130 45.100 0.129 0.000 0.895 405 G HN 2.097 nan 8.290 nan 0.000 0.557 406 A N -1.507 121.426 122.820 0.188 0.000 2.574 406 A HA 0.760 5.077 4.320 -0.005 0.000 0.297 406 A C -0.072 177.590 177.584 0.130 0.000 1.062 406 A CA 0.065 52.197 52.037 0.159 0.000 0.686 406 A CB 1.405 20.524 19.000 0.198 0.000 1.285 406 A HN 1.851 nan 8.150 nan 0.000 0.403 407 G N 1.692 110.548 108.800 0.093 0.000 2.372 407 G HA2 0.489 4.447 3.960 -0.005 0.000 0.286 407 G HA3 0.489 4.447 3.960 -0.005 0.000 0.286 407 G C -0.144 174.802 174.900 0.075 0.000 1.153 407 G CA -0.129 45.014 45.100 0.071 0.000 0.985 407 G HN 0.493 nan 8.290 nan 0.000 0.429 408 I N 4.142 124.758 120.570 0.078 0.000 2.315 408 I HA 0.390 4.557 4.170 -0.005 0.000 0.291 408 I C 0.712 176.872 176.117 0.071 0.000 1.006 408 I CA -0.808 60.535 61.300 0.070 0.000 1.265 408 I CB 0.484 38.523 38.000 0.064 0.000 1.387 408 I HN 0.488 nan 8.210 nan 0.000 0.475 409 I N 1.932 122.531 120.570 0.048 0.000 3.436 409 I HA 0.761 4.928 4.170 -0.005 0.000 0.300 409 I C 1.200 177.324 176.117 0.012 0.000 1.131 409 I CA -0.995 60.327 61.300 0.036 0.000 1.001 409 I CB 1.767 39.787 38.000 0.033 0.000 1.305 409 I HN 0.381 nan 8.210 nan 0.000 0.494 410 A N 0.376 123.194 122.820 -0.003 0.000 2.070 410 A HA -0.103 4.214 4.320 -0.005 0.000 0.220 410 A C 1.811 179.390 177.584 -0.008 0.000 1.159 410 A CA 1.521 53.546 52.037 -0.019 0.000 0.656 410 A CB -0.774 18.211 19.000 -0.026 0.000 0.800 410 A HN 0.827 nan 8.150 nan 0.000 0.453 411 Q N 0.181 119.983 119.800 0.004 0.000 2.360 411 Q HA 0.234 4.572 4.340 -0.005 0.000 0.202 411 Q C 0.313 176.321 176.000 0.014 0.000 0.915 411 Q CA 0.010 55.818 55.803 0.009 0.000 0.943 411 Q CB 0.270 29.016 28.738 0.014 0.000 1.064 411 Q HN 0.475 nan 8.270 nan 0.000 0.511 412 S N 0.373 116.081 115.700 0.014 0.000 2.572 412 S HA 0.268 4.735 4.470 -0.005 0.000 0.279 412 S C 0.030 174.637 174.600 0.012 0.000 1.341 412 S CA -0.080 58.132 58.200 0.020 0.000 1.043 412 S CB 0.856 64.070 63.200 0.023 0.000 0.887 412 S HN 0.090 nan 8.310 nan 0.000 0.516 413 T N 4.414 118.979 114.554 0.020 0.000 2.786 413 T HA 0.315 4.662 4.350 -0.005 0.000 0.283 413 T C -1.849 172.862 174.700 0.018 0.000 0.992 413 T CA -1.349 60.761 62.100 0.016 0.000 0.954 413 T CB 1.660 70.542 68.868 0.023 0.000 0.934 413 T HN 0.261 nan 8.240 nan 0.000 0.440 414 P HA -0.145 nan 4.420 nan 0.000 0.216 414 P C 1.376 178.700 177.300 0.040 0.000 1.153 414 P CA 0.911 64.005 63.100 -0.010 0.000 0.858 414 P CB 0.396 32.076 31.700 -0.034 0.000 0.789 415 E N -0.436 119.789 120.200 0.041 0.000 2.072 415 E HA -0.248 4.100 4.350 -0.005 0.000 0.191 415 E C 2.229 178.873 176.600 0.072 0.000 0.985 415 E CA 0.820 57.255 56.400 0.058 0.000 0.801 415 E CB -0.170 29.555 29.700 0.041 0.000 0.750 415 E HN -0.142 nan 8.360 nan 0.000 0.452 416 R N 1.086 121.624 120.500 0.063 0.000 2.081 416 R HA -0.141 4.196 4.340 -0.005 0.000 0.235 416 R C 1.975 178.333 176.300 0.097 0.000 1.131 416 R CA 1.915 58.057 56.100 0.069 0.000 0.960 416 R CB -0.309 30.024 30.300 0.056 0.000 0.856 416 R HN 0.191 nan 8.270 nan 0.000 0.436 417 E N 0.599 120.869 120.200 0.118 0.000 2.110 417 E HA -0.184 4.163 4.350 -0.005 0.000 0.193 417 E C 1.911 178.680 176.600 0.281 0.000 0.988 417 E CA 1.034 57.545 56.400 0.184 0.000 0.804 417 E CB -0.536 29.267 29.700 0.172 0.000 0.745 417 E HN 0.263 nan 8.360 nan 0.000 0.458 418 L N 1.530 122.931 121.223 0.297 0.000 1.970 418 L HA -0.171 4.167 4.340 -0.005 0.000 0.212 418 L C 2.190 179.112 176.870 0.088 0.000 1.071 418 L CA 2.186 57.169 54.840 0.238 0.000 0.751 418 L CB -1.252 40.938 42.059 0.218 0.000 0.889 418 L HN 0.039 nan 8.230 nan 0.000 0.432 419 T N -0.643 113.961 114.554 0.085 0.000 2.699 419 T HA -0.276 4.071 4.350 -0.005 0.000 0.268 419 T C 1.751 176.483 174.700 0.054 0.000 1.036 419 T CA 1.718 63.852 62.100 0.056 0.000 1.147 419 T CB -0.281 68.621 68.868 0.057 0.000 0.862 419 T HN 0.507 nan 8.240 nan 0.000 0.446 420 E N 0.546 120.792 120.200 0.076 0.000 2.058 420 E HA -0.207 4.140 4.350 -0.005 0.000 0.194 420 E C 2.454 179.091 176.600 0.063 0.000 0.997 420 E CA 1.825 58.274 56.400 0.081 0.000 0.801 420 E CB -0.173 29.590 29.700 0.106 0.000 0.746 420 E HN 0.697 nan 8.360 nan 0.000 0.450 421 T N -1.023 113.547 114.554 0.027 0.000 2.720 421 T HA -0.197 4.151 4.350 -0.005 0.000 0.268 421 T C 1.892 176.574 174.700 -0.031 0.000 1.037 421 T CA 1.368 63.444 62.100 -0.040 0.000 1.144 421 T CB -0.420 68.313 68.868 -0.225 0.000 0.864 421 T HN 0.160 nan 8.240 nan 0.000 0.444 422 R N 1.277 121.760 120.500 -0.029 0.000 2.081 422 R HA -0.037 4.301 4.340 -0.005 0.000 0.235 422 R C 2.749 179.053 176.300 0.007 0.000 1.131 422 R CA 1.784 57.874 56.100 -0.016 0.000 0.960 422 R CB -0.329 29.964 30.300 -0.012 0.000 0.856 422 R HN 0.640 nan 8.270 nan 0.000 0.436 423 E N 0.848 121.063 120.200 0.025 0.000 2.085 423 E HA -0.196 4.151 4.350 -0.005 0.000 0.194 423 E C 1.908 178.537 176.600 0.049 0.000 0.994 423 E CA 1.286 57.707 56.400 0.036 0.000 0.801 423 E CB 0.001 29.728 29.700 0.045 0.000 0.743 423 E HN 0.293 nan 8.360 nan 0.000 0.453 424 K N 0.615 121.056 120.400 0.068 0.000 2.057 424 K HA -0.090 4.227 4.320 -0.005 0.000 0.206 424 K C 2.168 178.815 176.600 0.079 0.000 1.050 424 K CA 0.887 57.233 56.287 0.099 0.000 0.935 424 K CB -0.115 32.460 32.500 0.124 0.000 0.715 424 K HN 0.077 nan 8.250 nan 0.000 0.439 425 L N 0.556 121.804 121.223 0.042 0.000 2.131 425 L HA -0.165 4.172 4.340 -0.005 0.000 0.210 425 L C 2.366 179.247 176.870 0.019 0.000 1.092 425 L CA 0.857 55.711 54.840 0.023 0.000 0.759 425 L CB -0.494 41.558 42.059 -0.011 0.000 0.903 425 L HN 0.212 nan 8.230 nan 0.000 0.435 426 A N -1.206 121.622 122.820 0.014 0.000 2.172 426 A HA -0.175 4.142 4.320 -0.005 0.000 0.216 426 A C 2.468 180.090 177.584 0.063 0.000 1.154 426 A CA 1.571 53.606 52.037 -0.004 0.000 0.701 426 A CB -0.427 18.570 19.000 -0.005 0.000 0.789 426 A HN 0.370 nan 8.150 nan 0.000 0.465 427 S N -1.491 114.272 115.700 0.105 0.000 2.461 427 S HA 0.011 4.479 4.470 -0.005 0.000 0.228 427 S C 1.490 176.243 174.600 0.256 0.000 1.005 427 S CA 1.332 59.629 58.200 0.162 0.000 0.942 427 S CB -0.224 63.058 63.200 0.136 0.000 0.776 427 S HN 0.566 nan 8.310 nan 0.000 0.514 428 I N -0.150 120.541 120.570 0.203 0.000 4.228 428 I HA 0.472 4.639 4.170 -0.005 0.000 0.298 428 I C 2.034 178.215 176.117 0.107 0.000 1.206 428 I CA 0.781 62.225 61.300 0.241 0.000 1.322 428 I CB -0.355 37.731 38.000 0.144 0.000 1.411 428 I HN 0.128 nan 8.210 nan 0.000 0.454 429 A N 1.873 124.685 122.820 -0.012 0.000 1.908 429 A HA -0.033 4.285 4.320 -0.005 0.000 0.218 429 A C -0.311 177.161 177.584 -0.187 0.000 1.181 429 A CA 2.080 54.073 52.037 -0.073 0.000 0.627 429 A CB -2.150 16.814 19.000 -0.060 0.000 0.818 429 A HN 0.419 nan 8.150 nan 0.000 0.445 430 P HA -0.059 nan 4.420 nan 0.000 0.230 430 P C -0.093 176.793 177.300 -0.690 0.000 1.158 430 P CA 0.841 63.548 63.100 -0.656 0.000 0.769 430 P CB -0.107 30.977 31.700 -1.026 0.000 0.807 431 Y N -1.536 118.737 120.300 -0.044 0.000 2.636 431 Y HA 0.287 4.834 4.550 -0.005 0.000 0.260 431 Y C 0.659 176.655 175.900 0.160 0.000 1.177 431 Y CA -0.708 57.353 58.100 -0.064 0.000 1.209 431 Y CB -0.632 37.586 38.460 -0.404 0.000 1.166 431 Y HN -0.194 nan 8.280 nan 0.000 0.531 432 L N 2.520 123.843 121.223 0.166 0.000 2.407 432 L HA 0.203 4.540 4.340 -0.005 0.000 0.282 432 L C -0.173 176.783 176.870 0.144 0.000 1.110 432 L CA -0.013 54.907 54.840 0.133 0.000 0.863 432 L CB 0.175 42.270 42.059 0.059 0.000 1.207 432 L HN 0.132 nan 8.230 nan 0.000 0.454 433 M N 4.151 123.841 119.600 0.150 0.000 2.188 433 M HA 0.408 4.886 4.480 -0.005 0.000 0.357 433 M C 0.350 176.684 176.300 0.056 0.000 1.204 433 M CA -0.234 55.124 55.300 0.097 0.000 1.095 433 M CB 1.216 33.870 32.600 0.090 0.000 1.604 433 M HN 0.371 nan 8.290 nan 0.000 0.464 434 V N 0.000 119.935 119.914 0.036 0.000 2.409 434 V HA 0.000 4.117 4.120 -0.005 0.000 0.244 434 V CA 0.000 62.317 62.300 0.028 0.000 1.235 434 V CB 0.000 31.837 31.823 0.024 0.000 1.184 434 V HN 0.000 nan 8.190 nan 0.000 0.556