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 1uv5_1_A DATA FIRST_RESID 35 DATA SEQUENCE SKVTTVVATP GQGPDRPQEV SYTDTKVIGN GSFGVVYQAK LCDSGELVAI DATA SEQUENCE KKVLQGKAFK NRELQIMRKL DHCNIVRLRY FFYSSGEKKD EVYLNLVLDY DATA SEQUENCE VPETVYRVAR HYSRAKQTLP VIYVKLYMYQ LFRSLAYIHS FGICHRDIKP DATA SEQUENCE QNLLLDPDTA VLKLCDFGSA KQLVRGEPNV SYICSRYYRA PELIFGATDY DATA SEQUENCE TSSIDVWSAG CVLAELLLGQ PIFPGDSGVD QLVEIIKVLG TPTREQIREM DATA SEQUENCE NPNYTEFKFP QIKAHPWTKV FRPRTPPEAI ALCSRLLEYT PTARLTPLEA DATA SEQUENCE CAHSFFDELR DPNVKLPNGR DTPALFNFTT QELSSNPPLA TILIPPHAR 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 35 S HA 0.000 nan 4.470 nan 0.000 0.327 35 S C 0.000 174.576 174.600 -0.040 0.000 1.055 35 S CA 0.000 58.188 58.200 -0.019 0.000 1.107 35 S CB 0.000 63.194 63.200 -0.010 0.000 0.593 36 K N 0.707 121.073 120.400 -0.058 0.000 2.090 36 K HA 0.779 5.099 4.320 -0.000 0.000 0.250 36 K C -0.702 175.822 176.600 -0.127 0.000 1.004 36 K CA -0.859 55.378 56.287 -0.083 0.000 0.919 36 K CB 0.832 33.281 32.500 -0.085 0.000 1.045 36 K HN 0.382 nan 8.250 nan 0.000 0.471 37 V N 1.375 121.203 119.914 -0.143 0.000 2.539 37 V HA 0.292 4.412 4.120 -0.000 0.000 0.292 37 V C -0.454 175.470 176.094 -0.282 0.000 1.045 37 V CA -0.543 61.636 62.300 -0.202 0.000 0.945 37 V CB 1.513 33.244 31.823 -0.153 0.000 0.993 37 V HN 0.931 nan 8.190 nan 0.000 0.464 38 T N 2.678 116.949 114.554 -0.471 0.000 2.848 38 T HA 0.522 4.872 4.350 -0.000 0.000 0.285 38 T C -0.360 174.014 174.700 -0.544 0.000 0.995 38 T CA -0.440 61.318 62.100 -0.570 0.000 0.970 38 T CB 1.601 69.894 68.868 -0.958 0.000 0.976 38 T HN 0.671 nan 8.240 nan 0.000 0.441 39 T N 2.793 117.137 114.554 -0.350 0.000 2.841 39 T HA 0.697 5.047 4.350 -0.000 0.000 0.285 39 T C -0.198 174.343 174.700 -0.265 0.000 0.991 39 T CA -0.647 61.290 62.100 -0.273 0.000 0.966 39 T CB 1.148 69.900 68.868 -0.193 0.000 0.962 39 T HN 0.648 nan 8.240 nan 0.000 0.438 40 V N 0.559 120.282 119.914 -0.319 0.000 3.141 40 V HA 0.866 4.986 4.120 -0.000 0.000 0.312 40 V C -0.725 175.190 176.094 -0.298 0.000 1.157 40 V CA -1.083 60.996 62.300 -0.369 0.000 1.041 40 V CB 1.843 33.182 31.823 -0.806 0.000 1.071 40 V HN 0.532 nan 8.190 nan 0.000 0.441 41 V N 1.757 121.545 119.914 -0.210 0.000 2.364 41 V HA 0.837 4.957 4.120 -0.000 0.000 0.272 41 V C 0.605 176.624 176.094 -0.124 0.000 1.036 41 V CA 0.459 62.678 62.300 -0.136 0.000 0.880 41 V CB 0.409 32.197 31.823 -0.057 0.000 0.991 41 V HN 1.399 nan 8.190 nan 0.000 0.460 42 A N 3.935 126.663 122.820 -0.154 0.000 2.386 42 A HA 0.925 5.245 4.320 -0.000 0.000 0.308 42 A C -0.083 177.445 177.584 -0.094 0.000 1.128 42 A CA -0.601 51.381 52.037 -0.091 0.000 0.789 42 A CB 1.745 20.668 19.000 -0.128 0.000 1.325 42 A HN 0.647 nan 8.150 nan 0.000 0.437 43 T N 2.359 116.784 114.554 -0.215 0.000 2.855 43 T HA 0.618 4.968 4.350 -0.000 0.000 0.281 43 T C -2.766 171.922 174.700 -0.020 0.000 1.007 43 T CA -0.997 60.968 62.100 -0.225 0.000 1.009 43 T CB 1.550 70.077 68.868 -0.568 0.000 0.983 43 T HN 0.401 nan 8.240 nan 0.000 0.455 44 P HA 0.227 nan 4.420 nan 0.000 0.275 44 P C 0.980 178.378 177.300 0.164 0.000 1.228 44 P CA -0.225 62.943 63.100 0.113 0.000 0.786 44 P CB 0.543 32.290 31.700 0.077 0.000 0.927 45 G N 1.816 110.684 108.800 0.113 0.000 2.453 45 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.215 45 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.215 45 G C 0.249 175.214 174.900 0.109 0.000 1.201 45 G CA 0.612 45.818 45.100 0.177 0.000 0.784 45 G HN 0.621 nan 8.290 nan 0.000 0.545 46 Q N 0.118 119.939 119.800 0.036 0.000 2.248 46 Q HA 0.566 4.906 4.340 -0.000 0.000 0.263 46 Q C 0.204 176.225 176.000 0.034 0.000 1.007 46 Q CA -0.160 55.659 55.803 0.026 0.000 0.877 46 Q CB 1.348 30.083 28.738 -0.005 0.000 1.315 46 Q HN 1.201 nan 8.270 nan 0.000 0.454 47 G N 1.230 110.054 108.800 0.041 0.000 2.660 47 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.247 47 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.247 47 G C -2.526 172.407 174.900 0.055 0.000 1.328 47 G CA -0.629 44.495 45.100 0.040 0.000 0.884 47 G HN 0.683 nan 8.290 nan 0.000 0.531 48 P HA 0.251 nan 4.420 nan 0.000 0.265 48 P C -0.471 176.868 177.300 0.065 0.000 1.193 48 P CA 0.076 63.208 63.100 0.053 0.000 0.765 48 P CB 0.548 32.273 31.700 0.042 0.000 0.823 49 D N 4.370 124.812 120.400 0.070 0.000 2.470 49 D HA 0.004 4.644 4.640 -0.000 0.000 0.226 49 D C -0.542 175.790 176.300 0.054 0.000 1.196 49 D CA -0.239 53.808 54.000 0.078 0.000 0.979 49 D CB 0.056 40.914 40.800 0.096 0.000 1.059 49 D HN 0.096 nan 8.370 nan 0.000 0.515 50 R N 4.134 124.662 120.500 0.047 0.000 2.352 50 R HA 0.336 4.676 4.340 -0.000 0.000 0.304 50 R C -2.483 173.832 176.300 0.025 0.000 1.104 50 R CA -2.105 54.016 56.100 0.035 0.000 0.991 50 R CB 0.643 30.966 30.300 0.038 0.000 1.140 50 R HN 0.272 nan 8.270 nan 0.000 0.540 51 P HA -0.111 nan 4.420 nan 0.000 0.260 51 P C -0.292 176.998 177.300 -0.016 0.000 1.172 51 P CA 0.620 63.714 63.100 -0.011 0.000 0.760 51 P CB 0.483 32.179 31.700 -0.008 0.000 0.773 52 Q N 1.283 121.061 119.800 -0.037 0.000 2.456 52 Q HA 0.425 4.765 4.340 -0.000 0.000 0.283 52 Q C -0.971 174.954 176.000 -0.125 0.000 1.084 52 Q CA -1.076 54.693 55.803 -0.057 0.000 0.801 52 Q CB 1.775 30.500 28.738 -0.022 0.000 1.434 52 Q HN 0.285 nan 8.270 nan 0.000 0.419 53 E N 1.171 121.298 120.200 -0.121 0.000 2.289 53 E HA 0.397 4.747 4.350 -0.000 0.000 0.278 53 E C -1.355 175.119 176.600 -0.210 0.000 1.032 53 E CA -0.501 55.807 56.400 -0.152 0.000 0.854 53 E CB 1.239 30.873 29.700 -0.110 0.000 1.046 53 E HN 0.428 nan 8.360 nan 0.000 0.409 54 V N 3.401 123.158 119.914 -0.261 0.000 2.709 54 V HA 0.355 4.475 4.120 -0.000 0.000 0.308 54 V C -0.679 175.307 176.094 -0.181 0.000 1.062 54 V CA -0.766 61.368 62.300 -0.276 0.000 0.901 54 V CB 2.246 33.794 31.823 -0.459 0.000 1.003 54 V HN 0.643 nan 8.190 nan 0.000 0.425 55 S N 3.772 119.405 115.700 -0.111 0.000 2.502 55 S HA 0.855 5.325 4.470 -0.000 0.000 0.304 55 S C -1.267 173.330 174.600 -0.006 0.000 1.097 55 S CA -0.591 57.538 58.200 -0.120 0.000 1.045 55 S CB 1.417 64.541 63.200 -0.127 0.000 1.019 55 S HN 0.768 nan 8.310 nan 0.000 0.481 56 Y N -0.743 119.489 120.300 -0.114 0.000 2.588 56 Y HA 0.894 5.444 4.550 -0.000 0.000 0.343 56 Y C -0.329 175.530 175.900 -0.068 0.000 1.065 56 Y CA -0.869 57.187 58.100 -0.074 0.000 1.038 56 Y CB 1.333 39.762 38.460 -0.050 0.000 1.297 56 Y HN 0.527 nan 8.280 nan 0.000 0.467 57 T N -0.275 114.324 114.554 0.075 0.000 2.681 57 T HA 0.410 4.760 4.350 -0.000 0.000 0.296 57 T C -1.570 173.169 174.700 0.065 0.000 1.157 57 T CA -0.102 61.994 62.100 -0.007 0.000 1.025 57 T CB 0.826 69.663 68.868 -0.051 0.000 1.441 57 T HN 0.853 nan 8.240 nan 0.000 0.504 58 D N 0.926 121.341 120.400 0.025 0.000 2.746 58 D HA -0.102 4.538 4.640 -0.000 0.000 0.236 58 D C -0.266 176.067 176.300 0.055 0.000 1.129 58 D CA 0.962 54.978 54.000 0.027 0.000 0.691 58 D CB -1.738 39.067 40.800 0.009 0.000 1.077 58 D HN 0.449 nan 8.370 nan 0.000 0.432 59 T N 0.593 115.196 114.554 0.081 0.000 2.834 59 T HA 0.336 4.686 4.350 -0.000 0.000 0.298 59 T C 0.657 175.440 174.700 0.139 0.000 0.966 59 T CA -0.002 62.169 62.100 0.119 0.000 1.141 59 T CB 0.672 69.594 68.868 0.091 0.000 0.905 59 T HN 0.301 nan 8.240 nan 0.000 0.535 60 K N 1.387 121.900 120.400 0.188 0.000 2.508 60 K HA 0.727 5.047 4.320 -0.000 0.000 0.260 60 K C -1.322 175.403 176.600 0.208 0.000 0.949 60 K CA -1.089 55.299 56.287 0.169 0.000 0.834 60 K CB 1.168 33.717 32.500 0.081 0.000 1.365 60 K HN 0.191 nan 8.250 nan 0.000 0.437 61 V N 2.684 122.659 119.914 0.101 0.000 2.649 61 V HA 0.233 4.353 4.120 -0.000 0.000 0.292 61 V C 0.747 176.810 176.094 -0.051 0.000 1.055 61 V CA -0.106 62.136 62.300 -0.098 0.000 1.023 61 V CB 0.675 32.400 31.823 -0.163 0.000 0.992 61 V HN 0.913 nan 8.190 nan 0.000 0.480 62 I N 0.413 120.936 120.570 -0.078 0.000 4.453 62 I HA 0.750 4.920 4.170 -0.000 0.000 0.342 62 I C 0.342 176.454 176.117 -0.008 0.000 1.341 62 I CA -0.066 61.234 61.300 0.001 0.000 1.217 62 I CB 0.780 38.830 38.000 0.082 0.000 1.545 62 I HN 0.667 nan 8.210 nan 0.000 0.557 63 G N 0.511 109.272 108.800 -0.066 0.000 2.519 63 G HA2 0.417 4.377 3.960 -0.000 0.000 0.292 63 G HA3 0.417 4.377 3.960 -0.000 0.000 0.292 63 G C -2.293 172.560 174.900 -0.078 0.000 1.507 63 G CA -0.503 44.570 45.100 -0.044 0.000 0.806 63 G HN 0.043 nan 8.290 nan 0.000 0.523 64 N N -1.189 117.486 118.700 -0.042 0.000 2.509 64 N HA 0.860 5.599 4.740 -0.000 0.000 0.280 64 N C -0.225 175.283 175.510 -0.004 0.000 1.306 64 N CA 0.201 53.229 53.050 -0.036 0.000 0.782 64 N CB 2.530 40.996 38.487 -0.035 0.000 1.493 64 N HN 1.219 nan 8.380 nan 0.000 0.498 65 G N -1.195 107.611 108.800 0.010 0.000 2.451 65 G HA2 0.173 4.133 3.960 -0.000 0.000 0.292 65 G HA3 0.173 4.133 3.960 -0.000 0.000 0.292 65 G C -0.135 174.777 174.900 0.020 0.000 1.427 65 G CA -0.132 44.993 45.100 0.042 0.000 0.792 65 G HN 0.420 nan 8.290 nan 0.000 0.498 66 S N -1.212 114.490 115.700 0.005 0.000 2.593 66 S HA 0.276 4.746 4.470 -0.000 0.000 0.217 66 S C 0.403 174.755 174.600 -0.413 0.000 0.966 66 S CA 0.327 58.408 58.200 -0.198 0.000 0.914 66 S CB -0.294 62.744 63.200 -0.271 0.000 0.776 66 S HN 0.408 nan 8.310 nan 0.000 0.523 67 F N 1.759 121.711 119.950 0.004 0.000 2.805 67 F HA 0.587 5.114 4.527 -0.000 0.000 0.317 67 F C 1.146 176.962 175.800 0.027 0.000 1.146 67 F CA 0.074 58.081 58.000 0.011 0.000 1.265 67 F CB 0.910 39.911 39.000 0.001 0.000 0.992 67 F HN 0.447 nan 8.300 nan 0.000 0.511 68 G N -0.135 108.739 108.800 0.123 0.000 2.479 68 G HA2 0.075 4.035 3.960 -0.000 0.000 0.686 68 G HA3 0.075 4.035 3.960 -0.000 0.000 0.686 68 G C -1.424 173.514 174.900 0.063 0.000 1.295 68 G CA -1.130 44.039 45.100 0.115 0.000 0.922 68 G HN -0.008 nan 8.290 nan 0.000 0.582 69 V N -0.558 119.380 119.914 0.039 0.000 2.716 69 V HA 0.689 4.809 4.120 -0.000 0.000 0.304 69 V C 0.592 176.617 176.094 -0.115 0.000 1.053 69 V CA -0.701 61.539 62.300 -0.100 0.000 0.984 69 V CB 1.612 33.298 31.823 -0.228 0.000 1.021 69 V HN 0.988 nan 8.190 nan 0.000 0.467 70 V N 3.834 123.617 119.914 -0.218 0.000 2.444 70 V HA 0.502 4.622 4.120 -0.000 0.000 0.294 70 V C -1.088 174.891 176.094 -0.191 0.000 1.022 70 V CA -0.630 61.619 62.300 -0.085 0.000 0.850 70 V CB 1.260 33.080 31.823 -0.006 0.000 0.992 70 V HN 0.740 nan 8.190 nan 0.000 0.426 71 Y N 1.980 122.302 120.300 0.037 0.000 2.528 71 Y HA 0.593 5.143 4.550 -0.000 0.000 0.335 71 Y C 0.306 176.229 175.900 0.040 0.000 1.093 71 Y CA -0.811 57.311 58.100 0.037 0.000 1.134 71 Y CB 1.339 39.817 38.460 0.031 0.000 1.253 71 Y HN 0.557 nan 8.280 nan 0.000 0.478 72 Q N 1.224 121.144 119.800 0.200 0.000 2.226 72 Q HA 0.844 5.184 4.340 -0.000 0.000 0.256 72 Q C -1.413 174.616 176.000 0.048 0.000 0.962 72 Q CA -0.741 55.096 55.803 0.057 0.000 0.887 72 Q CB 1.704 30.394 28.738 -0.080 0.000 1.282 72 Q HN 0.890 nan 8.270 nan 0.000 0.449 73 A N 2.595 125.401 122.820 -0.022 0.000 2.599 73 A HA 0.565 4.885 4.320 -0.000 0.000 0.290 73 A C -1.881 175.706 177.584 0.005 0.000 1.101 73 A CA -0.762 51.294 52.037 0.031 0.000 0.674 73 A CB 1.787 20.817 19.000 0.050 0.000 1.277 73 A HN 0.649 nan 8.150 nan 0.000 0.419 74 K N 1.123 121.560 120.400 0.061 0.000 2.376 74 K HA 0.653 4.973 4.320 -0.000 0.000 0.257 74 K C -1.346 175.309 176.600 0.091 0.000 0.939 74 K CA -0.556 55.755 56.287 0.040 0.000 0.809 74 K CB 1.049 33.556 32.500 0.012 0.000 1.121 74 K HN 0.655 nan 8.250 nan 0.000 0.425 75 L N 4.899 126.170 121.223 0.079 0.000 2.361 75 L HA 0.055 4.395 4.340 -0.000 0.000 0.278 75 L C 1.400 178.301 176.870 0.052 0.000 1.113 75 L CA -0.821 54.073 54.840 0.090 0.000 0.849 75 L CB 0.634 42.748 42.059 0.091 0.000 1.155 75 L HN 0.930 nan 8.230 nan 0.000 0.452 76 C N 1.621 120.943 119.300 0.036 0.000 2.396 76 C HA -0.216 4.244 4.460 -0.000 0.000 0.281 76 C C 2.416 177.407 174.990 0.001 0.000 1.208 76 C CA 1.368 60.388 59.018 0.003 0.000 1.754 76 C CB -0.683 27.042 27.740 -0.025 0.000 2.044 76 C HN 1.045 nan 8.230 nan 0.000 0.449 77 D N 0.656 121.055 120.400 -0.001 0.000 2.264 77 D HA -0.097 4.543 4.640 -0.000 0.000 0.208 77 D C 1.829 178.135 176.300 0.011 0.000 0.966 77 D CA 1.805 55.805 54.000 -0.000 0.000 0.864 77 D CB -0.513 40.282 40.800 -0.007 0.000 0.933 77 D HN 0.601 nan 8.370 nan 0.000 0.499 78 S N -1.767 113.947 115.700 0.023 0.000 2.512 78 S HA 0.392 4.862 4.470 -0.000 0.000 0.216 78 S C 1.840 176.455 174.600 0.025 0.000 1.006 78 S CA 0.670 58.887 58.200 0.028 0.000 0.915 78 S CB 0.053 63.279 63.200 0.043 0.000 0.824 78 S HN 0.522 nan 8.310 nan 0.000 0.497 79 G N 0.966 109.780 108.800 0.023 0.000 2.245 79 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.264 79 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.264 79 G C -0.106 174.806 174.900 0.020 0.000 0.985 79 G CA 0.412 45.522 45.100 0.017 0.000 0.625 79 G HN 0.630 nan 8.290 nan 0.000 0.536 80 E N 0.023 120.243 120.200 0.033 0.000 2.413 80 E HA 0.427 4.777 4.350 -0.000 0.000 0.263 80 E C 0.623 177.242 176.600 0.033 0.000 1.015 80 E CA -0.186 56.238 56.400 0.041 0.000 0.916 80 E CB 0.483 30.218 29.700 0.059 0.000 0.947 80 E HN 0.354 nan 8.360 nan 0.000 0.440 81 L N 3.911 125.147 121.223 0.022 0.000 2.292 81 L HA 0.362 4.702 4.340 -0.000 0.000 0.284 81 L C -0.104 176.796 176.870 0.051 0.000 1.065 81 L CA -0.535 54.281 54.840 -0.039 0.000 0.806 81 L CB 0.927 42.891 42.059 -0.158 0.000 1.175 81 L HN 0.360 nan 8.230 nan 0.000 0.431 82 V N 0.508 120.442 119.914 0.034 0.000 3.167 82 V HA 0.974 5.094 4.120 -0.000 0.000 0.310 82 V C -0.623 175.552 176.094 0.135 0.000 1.207 82 V CA -0.818 61.555 62.300 0.121 0.000 1.059 82 V CB 1.835 33.714 31.823 0.093 0.000 1.079 82 V HN 0.759 nan 8.190 nan 0.000 0.446 83 A N 1.236 124.158 122.820 0.171 0.000 2.350 83 A HA 0.941 5.261 4.320 -0.000 0.000 0.324 83 A C -0.806 176.839 177.584 0.102 0.000 1.118 83 A CA -0.771 51.371 52.037 0.176 0.000 0.783 83 A CB 1.158 20.282 19.000 0.208 0.000 1.236 83 A HN 0.933 nan 8.150 nan 0.000 0.457 84 I N 1.528 122.164 120.570 0.110 0.000 2.447 84 I HA 0.370 4.540 4.170 -0.000 0.000 0.287 84 I C -0.236 175.971 176.117 0.149 0.000 1.023 84 I CA -0.493 60.848 61.300 0.068 0.000 1.083 84 I CB 2.095 40.074 38.000 -0.035 0.000 1.245 84 I HN 0.701 nan 8.210 nan 0.000 0.434 85 K N 6.840 127.288 120.400 0.080 0.000 2.235 85 K HA 0.417 4.737 4.320 -0.000 0.000 0.266 85 K C -0.893 175.751 176.600 0.074 0.000 0.980 85 K CA -0.700 55.644 56.287 0.095 0.000 0.849 85 K CB 1.551 34.087 32.500 0.059 0.000 1.098 85 K HN 0.513 nan 8.250 nan 0.000 0.445 86 K N 4.733 125.222 120.400 0.147 0.000 2.394 86 K HA 0.244 4.564 4.320 -0.000 0.000 0.260 86 K C -1.005 175.719 176.600 0.207 0.000 0.967 86 K CA -0.750 55.623 56.287 0.143 0.000 0.855 86 K CB 1.382 33.989 32.500 0.179 0.000 1.101 86 K HN 0.490 nan 8.250 nan 0.000 0.433 87 V N 2.493 122.534 119.914 0.212 0.000 2.715 87 V HA 0.523 4.643 4.120 -0.000 0.000 0.310 87 V C -0.863 175.376 176.094 0.243 0.000 1.054 87 V CA -1.222 61.210 62.300 0.219 0.000 0.928 87 V CB 1.558 33.477 31.823 0.159 0.000 1.007 87 V HN 0.659 nan 8.190 nan 0.000 0.437 88 L N 3.275 124.570 121.223 0.120 0.000 2.380 88 L HA 0.582 4.922 4.340 -0.000 0.000 0.273 88 L C -0.024 176.809 176.870 -0.061 0.000 1.138 88 L CA 0.728 55.462 54.840 -0.175 0.000 0.832 88 L CB 0.925 42.869 42.059 -0.192 0.000 1.124 88 L HN 1.028 nan 8.230 nan 0.000 0.454 89 Q N 1.815 121.573 119.800 -0.069 0.000 2.365 89 Q HA 0.534 4.874 4.340 -0.000 0.000 0.269 89 Q C 0.662 176.697 176.000 0.058 0.000 1.061 89 Q CA 0.213 56.054 55.803 0.064 0.000 0.816 89 Q CB 1.988 30.843 28.738 0.194 0.000 1.325 89 Q HN 0.734 nan 8.270 nan 0.000 0.446 90 G N 1.649 110.519 108.800 0.118 0.000 2.511 90 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.217 90 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.217 90 G C 0.479 175.479 174.900 0.167 0.000 1.133 90 G CA 0.452 45.656 45.100 0.174 0.000 0.792 90 G HN 0.718 nan 8.290 nan 0.000 0.539 91 K N -1.057 119.421 120.400 0.130 0.000 3.553 91 K HA -0.294 4.026 4.320 -0.000 0.000 0.280 91 K C 1.789 178.383 176.600 -0.009 0.000 1.061 91 K CA 1.510 57.818 56.287 0.034 0.000 1.101 91 K CB -1.734 30.758 32.500 -0.013 0.000 1.421 91 K HN 0.584 nan 8.250 nan 0.000 0.440 92 A N -0.706 122.126 122.820 0.020 0.000 2.238 92 A HA 0.354 4.674 4.320 -0.000 0.000 0.210 92 A C 0.162 177.346 177.584 -0.667 0.000 1.179 92 A CA 0.330 52.210 52.037 -0.262 0.000 0.827 92 A CB 0.184 19.057 19.000 -0.211 0.000 0.856 92 A HN 0.114 nan 8.150 nan 0.000 0.488 93 F N -0.445 119.513 119.950 0.014 0.000 2.591 93 F HA 0.418 4.945 4.527 -0.000 0.000 0.309 93 F C 0.187 176.007 175.800 0.033 0.000 1.098 93 F CA -1.242 56.771 58.000 0.022 0.000 0.937 93 F CB 1.406 40.422 39.000 0.026 0.000 1.250 93 F HN -0.184 nan 8.300 nan 0.000 0.447 94 K N 1.242 121.742 120.400 0.167 0.000 2.286 94 K HA 0.066 4.386 4.320 -0.000 0.000 0.256 94 K C -0.085 176.591 176.600 0.127 0.000 0.999 94 K CA -0.346 56.011 56.287 0.117 0.000 0.908 94 K CB 0.403 32.946 32.500 0.072 0.000 0.981 94 K HN 0.572 nan 8.250 nan 0.000 0.500 95 N N 1.822 120.573 118.700 0.086 0.000 2.444 95 N HA 0.065 4.805 4.740 -0.000 0.000 0.262 95 N C 0.332 175.847 175.510 0.008 0.000 0.974 95 N CA -0.066 53.022 53.050 0.064 0.000 0.933 95 N CB 1.123 39.644 38.487 0.056 0.000 1.137 95 N HN 0.489 nan 8.380 nan 0.000 0.498 96 R N 2.561 123.068 120.500 0.012 0.000 2.115 96 R HA -0.122 4.218 4.340 -0.000 0.000 0.230 96 R C 1.504 177.768 176.300 -0.060 0.000 1.111 96 R CA 1.312 57.401 56.100 -0.019 0.000 0.976 96 R CB 0.143 30.438 30.300 -0.009 0.000 0.870 96 R HN 0.729 nan 8.270 nan 0.000 0.445 97 E N 0.243 120.401 120.200 -0.071 0.000 2.058 97 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 97 E C 1.888 178.417 176.600 -0.118 0.000 0.997 97 E CA 1.247 57.596 56.400 -0.086 0.000 0.801 97 E CB -0.052 29.596 29.700 -0.087 0.000 0.746 97 E HN 0.189 nan 8.360 nan 0.000 0.450 98 L N 1.295 122.435 121.223 -0.138 0.000 2.027 98 L HA -0.187 4.152 4.340 -0.000 0.000 0.206 98 L C 2.433 179.169 176.870 -0.223 0.000 1.074 98 L CA 1.989 56.689 54.840 -0.234 0.000 0.745 98 L CB -0.800 41.064 42.059 -0.325 0.000 0.898 98 L HN 0.224 nan 8.230 nan 0.000 0.433 99 Q N -0.520 119.188 119.800 -0.152 0.000 2.112 99 Q HA -0.249 4.091 4.340 -0.000 0.000 0.206 99 Q C 2.244 178.167 176.000 -0.128 0.000 0.987 99 Q CA 2.599 58.333 55.803 -0.115 0.000 0.858 99 Q CB -0.206 28.496 28.738 -0.060 0.000 0.905 99 Q HN 0.663 nan 8.270 nan 0.000 0.420 100 I N -0.070 120.413 120.570 -0.145 0.000 2.193 100 I HA -0.285 3.885 4.170 -0.000 0.000 0.240 100 I C 2.456 178.388 176.117 -0.308 0.000 1.084 100 I CA 0.790 61.970 61.300 -0.200 0.000 1.365 100 I CB -0.272 37.627 38.000 -0.168 0.000 1.064 100 I HN 0.335 nan 8.210 nan 0.000 0.410 101 M N 0.264 119.667 119.600 -0.328 0.000 2.144 101 M HA -0.230 4.250 4.480 -0.000 0.000 0.260 101 M C 2.385 178.538 176.300 -0.246 0.000 1.067 101 M CA 1.811 56.900 55.300 -0.351 0.000 1.095 101 M CB -1.072 31.368 32.600 -0.266 0.000 1.365 101 M HN 0.251 nan 8.290 nan 0.000 0.406 102 R N 0.051 120.432 120.500 -0.197 0.000 2.120 102 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 102 R C 2.242 178.482 176.300 -0.100 0.000 1.123 102 R CA 1.132 57.156 56.100 -0.126 0.000 0.975 102 R CB -0.341 29.893 30.300 -0.109 0.000 0.866 102 R HN 0.406 nan 8.270 nan 0.000 0.446 103 K N 0.796 121.113 120.400 -0.139 0.000 2.228 103 K HA 0.013 4.333 4.320 -0.000 0.000 0.202 103 K C 0.403 176.889 176.600 -0.190 0.000 1.051 103 K CA 0.374 56.587 56.287 -0.122 0.000 0.960 103 K CB 0.183 32.600 32.500 -0.138 0.000 0.743 103 K HN 0.025 nan 8.250 nan 0.000 0.458 104 L N 1.086 122.158 121.223 -0.253 0.000 2.439 104 L HA 0.215 4.555 4.340 -0.000 0.000 0.261 104 L C -0.511 176.346 176.870 -0.021 0.000 1.153 104 L CA -0.518 54.225 54.840 -0.162 0.000 0.808 104 L CB 0.746 42.662 42.059 -0.239 0.000 1.126 104 L HN 0.098 nan 8.230 nan 0.000 0.460 105 D N 0.419 120.860 120.400 0.069 0.000 2.266 105 D HA 0.244 4.884 4.640 -0.000 0.000 0.218 105 D C -1.374 174.799 176.300 -0.213 0.000 1.311 105 D CA -0.361 53.612 54.000 -0.044 0.000 0.918 105 D CB 0.499 41.309 40.800 0.017 0.000 1.530 105 D HN 0.637 nan 8.370 nan 0.000 0.514 106 H N 1.205 120.013 119.070 -0.437 0.000 3.085 106 H HA 0.283 4.839 4.556 -0.000 0.000 0.356 106 H C 1.353 176.486 175.328 -0.326 0.000 1.178 106 H CA -0.455 55.245 56.048 -0.578 0.000 1.214 106 H CB 1.200 30.245 29.762 -1.195 0.000 1.881 106 H HN 0.340 nan 8.280 nan 0.000 0.538 107 C N 2.780 121.792 119.300 -0.479 0.000 2.421 107 C HA 0.066 4.526 4.460 -0.000 0.000 0.296 107 C C 0.850 175.823 174.990 -0.029 0.000 1.470 107 C CA 0.534 59.415 59.018 -0.228 0.000 1.779 107 C CB -0.862 26.704 27.740 -0.291 0.000 1.715 107 C HN 0.668 nan 8.230 nan 0.000 0.564 108 N N 0.612 119.457 118.700 0.242 0.000 2.234 108 N HA 0.396 5.136 4.740 -0.000 0.000 0.227 108 N C -0.352 175.185 175.510 0.045 0.000 1.151 108 N CA 0.160 53.285 53.050 0.125 0.000 0.865 108 N CB 0.597 39.160 38.487 0.126 0.000 1.066 108 N HN 0.600 nan 8.380 nan 0.000 0.515 109 I N 0.773 121.365 120.570 0.036 0.000 2.498 109 I HA 0.190 4.360 4.170 -0.000 0.000 0.290 109 I C 0.137 176.257 176.117 0.005 0.000 1.032 109 I CA -0.935 60.388 61.300 0.039 0.000 1.073 109 I CB 2.898 40.910 38.000 0.020 0.000 1.251 109 I HN -0.320 nan 8.210 nan 0.000 0.426 110 V N 7.018 126.953 119.914 0.034 0.000 2.617 110 V HA -0.006 4.114 4.120 -0.000 0.000 0.304 110 V C 0.660 176.737 176.094 -0.028 0.000 1.040 110 V CA 0.308 62.610 62.300 0.003 0.000 1.149 110 V CB 0.640 32.478 31.823 0.025 0.000 0.914 110 V HN 0.780 nan 8.190 nan 0.000 0.487 111 R N 5.250 125.724 120.500 -0.043 0.000 2.389 111 R HA 0.351 4.691 4.340 -0.000 0.000 0.295 111 R C -0.633 175.634 176.300 -0.055 0.000 1.075 111 R CA -0.670 55.394 56.100 -0.061 0.000 1.005 111 R CB 0.770 31.032 30.300 -0.064 0.000 0.987 111 R HN 0.703 nan 8.270 nan 0.000 0.452 112 L N 5.519 126.700 121.223 -0.069 0.000 2.278 112 L HA 0.257 4.597 4.340 -0.000 0.000 0.287 112 L C 0.800 177.619 176.870 -0.086 0.000 1.072 112 L CA 0.321 55.131 54.840 -0.050 0.000 0.819 112 L CB 0.902 42.930 42.059 -0.052 0.000 1.176 112 L HN 0.750 nan 8.230 nan 0.000 0.435 113 R N 3.730 124.156 120.500 -0.123 0.000 2.064 113 R HA 0.161 4.501 4.340 -0.000 0.000 0.221 113 R C -0.480 175.456 176.300 -0.606 0.000 1.136 113 R CA 0.942 56.802 56.100 -0.400 0.000 0.980 113 R CB 0.082 30.137 30.300 -0.409 0.000 0.876 113 R HN 0.563 nan 8.270 nan 0.000 0.437 114 Y N -1.369 119.004 120.300 0.123 0.000 2.705 114 Y HA 0.403 4.953 4.550 -0.000 0.000 0.332 114 Y C -0.810 175.237 175.900 0.246 0.000 1.221 114 Y CA -1.696 56.489 58.100 0.142 0.000 1.059 114 Y CB 1.351 39.867 38.460 0.093 0.000 1.298 114 Y HN -0.057 nan 8.280 nan 0.000 0.459 115 F N 0.296 120.399 119.950 0.254 0.000 2.654 115 F HA 0.878 5.405 4.527 -0.000 0.000 0.308 115 F C -1.817 174.066 175.800 0.139 0.000 1.108 115 F CA -1.748 56.278 58.000 0.045 0.000 0.957 115 F CB 1.787 40.743 39.000 -0.074 0.000 1.309 115 F HN 0.385 nan 8.300 nan 0.000 0.446 116 F N -0.289 119.618 119.950 -0.071 0.000 2.713 116 F HA 0.778 5.305 4.527 -0.000 0.000 0.311 116 F C -2.252 173.414 175.800 -0.224 0.000 1.141 116 F CA -1.864 56.057 58.000 -0.132 0.000 0.939 116 F CB 0.960 39.929 39.000 -0.050 0.000 1.325 116 F HN 0.555 nan 8.300 nan 0.000 0.453 117 Y N 1.015 121.521 120.300 0.344 0.000 2.488 117 Y HA 0.760 5.309 4.550 -0.000 0.000 0.325 117 Y C 0.482 176.604 175.900 0.370 0.000 1.204 117 Y CA -0.180 58.074 58.100 0.256 0.000 1.229 117 Y CB 1.996 40.574 38.460 0.196 0.000 1.274 117 Y HN 0.908 nan 8.280 nan 0.000 0.493 118 S N -0.504 115.468 115.700 0.453 0.000 2.643 118 S HA 0.824 5.294 4.470 -0.000 0.000 0.270 118 S C -1.127 173.692 174.600 0.365 0.000 1.166 118 S CA -0.736 57.694 58.200 0.383 0.000 0.815 118 S CB 1.267 64.698 63.200 0.386 0.000 1.139 118 S HN 0.766 nan 8.310 nan 0.000 0.472 119 S N -0.127 115.748 115.700 0.292 0.000 2.715 119 S HA 0.970 5.440 4.470 -0.000 0.000 0.307 119 S C 0.294 175.076 174.600 0.303 0.000 1.119 119 S CA -0.486 57.889 58.200 0.292 0.000 0.937 119 S CB 1.021 64.329 63.200 0.179 0.000 1.150 119 S HN 1.517 nan 8.310 nan 0.000 0.521 120 G N -0.945 108.041 108.800 0.310 0.000 3.016 120 G HA2 0.577 4.537 3.960 -0.000 0.000 0.270 120 G HA3 0.577 4.537 3.960 -0.000 0.000 0.270 120 G C 0.749 175.741 174.900 0.153 0.000 1.352 120 G CA -0.106 45.154 45.100 0.267 0.000 1.060 120 G HN 0.929 nan 8.290 nan 0.000 0.538 121 E N -1.082 119.191 120.200 0.121 0.000 2.058 121 E HA 0.103 4.453 4.350 -0.000 0.000 0.194 121 E C 1.520 178.166 176.600 0.077 0.000 0.997 121 E CA 1.989 58.437 56.400 0.081 0.000 0.801 121 E CB -1.071 28.669 29.700 0.067 0.000 0.746 121 E HN 1.033 nan 8.360 nan 0.000 0.450 122 K N 0.366 120.818 120.400 0.087 0.000 2.185 122 K HA 0.647 4.967 4.320 -0.000 0.000 0.271 122 K C 0.546 177.185 176.600 0.064 0.000 1.013 122 K CA 0.173 56.500 56.287 0.067 0.000 0.943 122 K CB 0.034 32.572 32.500 0.062 0.000 0.998 122 K HN 0.875 nan 8.250 nan 0.000 0.468 123 K N 0.681 121.108 120.400 0.046 0.000 2.187 123 K HA 0.297 4.617 4.320 -0.000 0.000 0.247 123 K C 0.334 176.953 176.600 0.033 0.000 1.019 123 K CA 0.342 56.653 56.287 0.040 0.000 0.893 123 K CB -0.148 32.370 32.500 0.030 0.000 1.025 123 K HN 0.935 nan 8.250 nan 0.000 0.500 124 D N 0.732 121.149 120.400 0.028 0.000 2.810 124 D HA -0.141 4.498 4.640 -0.000 0.000 0.224 124 D C -0.409 175.894 176.300 0.005 0.000 1.222 124 D CA 1.830 55.841 54.000 0.018 0.000 0.698 124 D CB -0.621 40.189 40.800 0.016 0.000 0.961 124 D HN 0.686 nan 8.370 nan 0.000 0.403 125 E N 0.335 120.537 120.200 0.003 0.000 2.829 125 E HA 0.251 4.601 4.350 -0.000 0.000 0.350 125 E C -1.203 175.362 176.600 -0.058 0.000 1.119 125 E CA -0.453 55.916 56.400 -0.051 0.000 0.764 125 E CB 0.558 30.260 29.700 0.003 0.000 1.576 125 E HN -0.034 nan 8.360 nan 0.000 0.379 126 V N 3.258 123.121 119.914 -0.086 0.000 2.716 126 V HA 0.469 4.589 4.120 -0.000 0.000 0.304 126 V C -0.647 175.367 176.094 -0.135 0.000 1.053 126 V CA -0.320 61.994 62.300 0.023 0.000 0.984 126 V CB 1.099 32.984 31.823 0.103 0.000 1.021 126 V HN 0.436 nan 8.190 nan 0.000 0.467 127 Y N 2.757 123.168 120.300 0.185 0.000 2.485 127 Y HA 0.661 5.211 4.550 -0.000 0.000 0.345 127 Y C -0.222 175.727 175.900 0.081 0.000 0.998 127 Y CA -0.839 57.336 58.100 0.125 0.000 1.059 127 Y CB 1.936 40.445 38.460 0.082 0.000 1.234 127 Y HN 0.525 nan 8.280 nan 0.000 0.461 128 L N 2.992 124.281 121.223 0.110 0.000 2.309 128 L HA 0.593 4.933 4.340 -0.000 0.000 0.282 128 L C -1.444 175.276 176.870 -0.251 0.000 1.036 128 L CA -0.632 54.076 54.840 -0.220 0.000 0.806 128 L CB 1.072 43.063 42.059 -0.113 0.000 1.220 128 L HN 0.642 nan 8.230 nan 0.000 0.429 129 N N 4.813 123.181 118.700 -0.552 0.000 2.399 129 N HA 0.599 5.339 4.740 -0.000 0.000 0.284 129 N C -1.533 173.694 175.510 -0.472 0.000 1.025 129 N CA -0.349 52.306 53.050 -0.659 0.000 0.885 129 N CB 1.795 39.328 38.487 -1.590 0.000 1.339 129 N HN 0.550 nan 8.380 nan 0.000 0.487 130 L N 2.051 123.152 121.223 -0.202 0.000 2.287 130 L HA 0.545 4.885 4.340 -0.000 0.000 0.287 130 L C -0.628 176.242 176.870 -0.001 0.000 1.022 130 L CA -1.108 53.700 54.840 -0.054 0.000 0.814 130 L CB 1.301 43.340 42.059 -0.034 0.000 1.217 130 L HN 0.201 nan 8.230 nan 0.000 0.420 131 V N 5.550 125.519 119.914 0.092 0.000 2.348 131 V HA 0.380 4.500 4.120 -0.000 0.000 0.270 131 V C 0.173 176.326 176.094 0.098 0.000 1.037 131 V CA -0.247 62.132 62.300 0.131 0.000 0.872 131 V CB 1.053 33.059 31.823 0.304 0.000 1.002 131 V HN 0.504 nan 8.190 nan 0.000 0.464 132 L N 2.944 124.210 121.223 0.072 0.000 2.271 132 L HA 0.664 5.004 4.340 -0.000 0.000 0.265 132 L C 0.026 176.935 176.870 0.065 0.000 1.013 132 L CA -0.941 53.928 54.840 0.047 0.000 0.820 132 L CB 0.977 43.060 42.059 0.040 0.000 1.352 132 L HN 0.325 nan 8.230 nan 0.000 0.443 133 D N -0.414 120.009 120.400 0.039 0.000 2.400 133 D HA 0.074 4.714 4.640 -0.000 0.000 0.238 133 D C -1.093 175.261 176.300 0.090 0.000 1.157 133 D CA 0.426 54.459 54.000 0.055 0.000 0.889 133 D CB 0.423 41.228 40.800 0.009 0.000 1.199 133 D HN 0.329 nan 8.370 nan 0.000 0.436 134 Y N 1.139 121.442 120.300 0.005 0.000 2.341 134 Y HA 0.482 5.032 4.550 -0.000 0.000 0.337 134 Y C -1.169 174.729 175.900 -0.004 0.000 1.014 134 Y CA -0.641 57.462 58.100 0.006 0.000 1.111 134 Y CB 0.930 39.399 38.460 0.015 0.000 1.194 134 Y HN 0.081 nan 8.280 nan 0.000 0.462 135 V N 9.007 128.384 119.914 -0.894 0.000 2.604 135 V HA 0.304 4.424 4.120 -0.000 0.000 0.305 135 V C -1.889 173.598 176.094 -1.011 0.000 1.043 135 V CA -1.801 60.098 62.300 -0.668 0.000 0.888 135 V CB 1.809 33.426 31.823 -0.342 0.000 0.995 135 V HN 0.735 nan 8.190 nan 0.000 0.429 136 P HA -0.078 nan 4.420 nan 0.000 0.214 136 P C 0.282 177.478 177.300 -0.174 0.000 1.163 136 P CA 1.360 64.320 63.100 -0.233 0.000 0.889 136 P CB 0.387 32.052 31.700 -0.057 0.000 0.790 137 E N -1.793 118.294 120.200 -0.187 0.000 2.355 137 E HA 0.474 4.824 4.350 -0.000 0.000 0.261 137 E C -0.213 176.285 176.600 -0.171 0.000 0.943 137 E CA -0.317 55.992 56.400 -0.152 0.000 0.806 137 E CB 1.679 31.295 29.700 -0.139 0.000 1.286 137 E HN -0.014 nan 8.360 nan 0.000 0.424 138 T N -3.393 111.080 114.554 -0.136 0.000 2.909 138 T HA 0.302 4.652 4.350 -0.000 0.000 0.299 138 T C 0.979 175.602 174.700 -0.128 0.000 1.073 138 T CA -0.685 61.340 62.100 -0.125 0.000 0.999 138 T CB 1.087 69.934 68.868 -0.035 0.000 1.098 138 T HN 0.026 nan 8.240 nan 0.000 0.477 139 V N 1.729 121.542 119.914 -0.169 0.000 2.453 139 V HA -0.148 3.971 4.120 -0.000 0.000 0.252 139 V C 2.094 178.198 176.094 0.016 0.000 1.068 139 V CA 2.172 64.383 62.300 -0.149 0.000 1.070 139 V CB -1.296 30.430 31.823 -0.161 0.000 0.664 139 V HN 0.920 nan 8.190 nan 0.000 0.461 140 Y N 1.589 121.846 120.300 -0.072 0.000 2.181 140 Y HA -0.220 4.330 4.550 -0.000 0.000 0.288 140 Y C 2.560 178.474 175.900 0.024 0.000 1.146 140 Y CA 1.713 59.806 58.100 -0.013 0.000 1.164 140 Y CB -0.320 38.130 38.460 -0.016 0.000 0.982 140 Y HN 0.192 nan 8.280 nan 0.000 0.515 141 R N -0.741 119.620 120.500 -0.233 0.000 2.057 141 R HA -0.068 4.271 4.340 -0.000 0.000 0.229 141 R C 2.230 178.465 176.300 -0.109 0.000 1.136 141 R CA 1.569 57.490 56.100 -0.298 0.000 0.952 141 R CB -0.836 29.371 30.300 -0.156 0.000 0.848 141 R HN 0.211 nan 8.270 nan 0.000 0.430 142 V N 1.447 121.337 119.914 -0.041 0.000 2.453 142 V HA -0.270 3.850 4.120 -0.000 0.000 0.252 142 V C 2.340 178.550 176.094 0.194 0.000 1.068 142 V CA 2.040 64.389 62.300 0.082 0.000 1.070 142 V CB -0.723 31.117 31.823 0.030 0.000 0.664 142 V HN 0.446 nan 8.190 nan 0.000 0.461 143 A N -0.426 122.448 122.820 0.089 0.000 1.970 143 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 143 A C 2.414 180.064 177.584 0.110 0.000 1.170 143 A CA 1.369 53.477 52.037 0.118 0.000 0.645 143 A CB -0.387 18.685 19.000 0.120 0.000 0.816 143 A HN 0.471 nan 8.150 nan 0.000 0.447 144 R N -1.173 119.318 120.500 -0.014 0.000 2.062 144 R HA -0.154 4.186 4.340 -0.000 0.000 0.229 144 R C 2.158 178.471 176.300 0.022 0.000 1.128 144 R CA 1.686 57.751 56.100 -0.060 0.000 0.960 144 R CB -0.504 29.617 30.300 -0.299 0.000 0.855 144 R HN 0.708 nan 8.270 nan 0.000 0.432 145 H N -0.653 118.395 119.070 -0.037 0.000 2.319 145 H HA -0.219 4.337 4.556 -0.000 0.000 0.297 145 H C 1.565 176.892 175.328 -0.002 0.000 1.097 145 H CA 2.550 58.580 56.048 -0.030 0.000 1.285 145 H CB -0.358 29.381 29.762 -0.038 0.000 1.368 145 H HN 0.286 nan 8.280 nan 0.000 0.495 146 Y N -0.392 119.900 120.300 -0.012 0.000 2.242 146 Y HA -0.186 4.364 4.550 -0.000 0.000 0.291 146 Y C 3.242 179.107 175.900 -0.058 0.000 1.137 146 Y CA 1.504 59.580 58.100 -0.040 0.000 1.181 146 Y CB -0.540 37.957 38.460 0.062 0.000 0.989 146 Y HN 0.311 nan 8.280 nan 0.000 0.527 147 S N 0.053 115.834 115.700 0.135 0.000 2.368 147 S HA -0.212 4.258 4.470 -0.000 0.000 0.225 147 S C 2.170 176.774 174.600 0.007 0.000 1.030 147 S CA 1.363 59.607 58.200 0.073 0.000 0.999 147 S CB -0.158 63.086 63.200 0.072 0.000 0.844 147 S HN 0.398 nan 8.310 nan 0.000 0.459 148 R N 0.635 121.110 120.500 -0.043 0.000 2.091 148 R HA -0.006 4.334 4.340 -0.000 0.000 0.238 148 R C 2.328 178.562 176.300 -0.110 0.000 1.136 148 R CA 1.352 57.405 56.100 -0.078 0.000 0.959 148 R CB -0.539 29.695 30.300 -0.109 0.000 0.856 148 R HN 0.475 nan 8.270 nan 0.000 0.437 149 A N 1.213 123.923 122.820 -0.184 0.000 2.255 149 A HA -0.039 4.281 4.320 -0.000 0.000 0.206 149 A C -0.087 177.452 177.584 -0.076 0.000 1.193 149 A CA 0.290 52.218 52.037 -0.180 0.000 0.794 149 A CB -0.091 18.719 19.000 -0.316 0.000 0.794 149 A HN 0.216 nan 8.150 nan 0.000 0.481 150 K N -0.782 119.598 120.400 -0.033 0.000 3.148 150 K HA -0.206 4.114 4.320 -0.000 0.000 0.267 150 K C -0.550 176.070 176.600 0.034 0.000 0.996 150 K CA 1.255 57.545 56.287 0.005 0.000 0.737 150 K CB -2.156 30.342 32.500 -0.004 0.000 1.308 150 K HN 0.839 nan 8.250 nan 0.000 0.470 151 Q N -0.847 118.999 119.800 0.077 0.000 2.565 151 Q HA 0.460 4.800 4.340 -0.000 0.000 0.294 151 Q C -0.354 175.772 176.000 0.210 0.000 1.005 151 Q CA -0.845 55.043 55.803 0.141 0.000 0.771 151 Q CB 1.890 30.732 28.738 0.174 0.000 1.486 151 Q HN 0.309 nan 8.270 nan 0.000 0.422 152 T N -1.588 113.078 114.554 0.186 0.000 2.895 152 T HA 0.585 4.935 4.350 -0.000 0.000 0.283 152 T C -0.425 174.286 174.700 0.018 0.000 1.014 152 T CA -0.856 61.309 62.100 0.110 0.000 1.037 152 T CB 0.810 69.718 68.868 0.066 0.000 1.006 152 T HN 0.445 nan 8.240 nan 0.000 0.468 153 L N 3.590 124.675 121.223 -0.230 0.000 2.540 153 L HA 0.307 4.647 4.340 -0.000 0.000 0.276 153 L C -2.275 174.497 176.870 -0.164 0.000 1.212 153 L CA -1.262 53.247 54.840 -0.553 0.000 0.893 153 L CB -0.319 41.494 42.059 -0.410 0.000 1.138 153 L HN 0.512 nan 8.230 nan 0.000 0.491 154 P HA -0.057 nan 4.420 nan 0.000 0.260 154 P C 0.982 178.252 177.300 -0.050 0.000 1.185 154 P CA -0.020 63.090 63.100 0.017 0.000 0.763 154 P CB 0.458 32.199 31.700 0.068 0.000 0.776 155 V N 4.182 124.068 119.914 -0.047 0.000 2.511 155 V HA -0.272 3.848 4.120 -0.000 0.000 0.257 155 V C 1.994 178.012 176.094 -0.127 0.000 1.088 155 V CA 1.807 64.085 62.300 -0.037 0.000 1.098 155 V CB -0.979 30.834 31.823 -0.016 0.000 0.674 155 V HN 0.588 nan 8.190 nan 0.000 0.470 156 I N -1.023 119.405 120.570 -0.237 0.000 2.353 156 I HA -0.160 4.010 4.170 -0.000 0.000 0.248 156 I C 2.108 178.006 176.117 -0.365 0.000 1.119 156 I CA 1.603 62.703 61.300 -0.333 0.000 1.417 156 I CB -0.395 37.346 38.000 -0.432 0.000 1.078 156 I HN 0.289 nan 8.210 nan 0.000 0.421 157 Y N -0.254 119.861 120.300 -0.309 0.000 2.220 157 Y HA -0.092 4.457 4.550 -0.000 0.000 0.291 157 Y C 2.615 178.132 175.900 -0.639 0.000 1.129 157 Y CA 1.405 59.126 58.100 -0.631 0.000 1.161 157 Y CB -1.206 36.877 38.460 -0.627 0.000 0.997 157 Y HN -0.031 nan 8.280 nan 0.000 0.522 158 V N 0.686 120.537 119.914 -0.104 0.000 2.252 158 V HA -0.357 3.763 4.120 -0.000 0.000 0.249 158 V C 2.204 178.431 176.094 0.220 0.000 1.056 158 V CA 2.178 64.531 62.300 0.087 0.000 1.022 158 V CB -0.591 31.345 31.823 0.188 0.000 0.641 158 V HN 0.398 nan 8.190 nan 0.000 0.445 159 K N -0.182 120.283 120.400 0.110 0.000 2.002 159 K HA -0.151 4.168 4.320 -0.000 0.000 0.209 159 K C 2.179 178.924 176.600 0.242 0.000 1.048 159 K CA 1.498 57.927 56.287 0.236 0.000 0.930 159 K CB -0.505 31.916 32.500 -0.132 0.000 0.714 159 K HN 0.331 nan 8.250 nan 0.000 0.438 160 L N 0.221 121.446 121.223 0.003 0.000 2.012 160 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 160 L C 2.631 179.599 176.870 0.164 0.000 1.073 160 L CA 1.368 56.205 54.840 -0.005 0.000 0.748 160 L CB -0.575 41.435 42.059 -0.081 0.000 0.891 160 L HN 0.141 nan 8.230 nan 0.000 0.431 161 Y N -1.207 119.159 120.300 0.110 0.000 2.133 161 Y HA -0.211 4.338 4.550 -0.000 0.000 0.287 161 Y C 2.633 178.546 175.900 0.022 0.000 1.134 161 Y CA 0.719 58.850 58.100 0.051 0.000 1.133 161 Y CB -0.843 37.639 38.460 0.037 0.000 0.987 161 Y HN 0.099 nan 8.280 nan 0.000 0.502 162 M N -1.165 118.601 119.600 0.276 0.000 2.108 162 M HA -0.258 4.222 4.480 -0.000 0.000 0.261 162 M C 2.210 178.521 176.300 0.019 0.000 1.066 162 M CA 1.393 56.784 55.300 0.152 0.000 1.107 162 M CB -1.747 31.148 32.600 0.491 0.000 1.356 162 M HN 0.416 nan 8.290 nan 0.000 0.406 163 Y N 1.537 121.697 120.300 -0.233 0.000 2.145 163 Y HA -0.286 4.264 4.550 -0.000 0.000 0.286 163 Y C 2.405 178.203 175.900 -0.170 0.000 1.145 163 Y CA 1.954 59.727 58.100 -0.545 0.000 1.148 163 Y CB -0.172 37.863 38.460 -0.709 0.000 0.981 163 Y HN 0.349 nan 8.280 nan 0.000 0.507 164 Q N -0.378 119.520 119.800 0.163 0.000 2.119 164 Q HA -0.177 4.162 4.340 -0.000 0.000 0.201 164 Q C 2.173 178.134 176.000 -0.065 0.000 0.972 164 Q CA 1.463 57.321 55.803 0.091 0.000 0.847 164 Q CB -0.318 28.484 28.738 0.106 0.000 0.903 164 Q HN 0.519 nan 8.270 nan 0.000 0.433 165 L N 0.084 121.218 121.223 -0.149 0.000 2.017 165 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 165 L C 1.852 178.541 176.870 -0.301 0.000 1.073 165 L CA 1.769 56.443 54.840 -0.277 0.000 0.745 165 L CB -0.532 41.283 42.059 -0.407 0.000 0.894 165 L HN 0.029 nan 8.230 nan 0.000 0.432 166 F N 0.126 119.993 119.950 -0.138 0.000 2.134 166 F HA -0.122 4.405 4.527 -0.000 0.000 0.299 166 F C 2.822 178.514 175.800 -0.182 0.000 1.097 166 F CA 1.738 59.644 58.000 -0.156 0.000 1.264 166 F CB -0.851 38.051 39.000 -0.163 0.000 1.001 166 F HN 0.101 nan 8.300 nan 0.000 0.479 167 R N 0.603 121.068 120.500 -0.058 0.000 2.091 167 R HA -0.190 4.150 4.340 -0.000 0.000 0.238 167 R C 2.468 178.702 176.300 -0.110 0.000 1.136 167 R CA 1.919 57.996 56.100 -0.037 0.000 0.959 167 R CB -0.373 29.907 30.300 -0.034 0.000 0.856 167 R HN 0.397 nan 8.270 nan 0.000 0.437 168 S N 0.102 115.694 115.700 -0.180 0.000 2.383 168 S HA -0.119 4.351 4.470 -0.000 0.000 0.227 168 S C 1.947 176.480 174.600 -0.111 0.000 1.026 168 S CA 0.716 58.762 58.200 -0.256 0.000 0.981 168 S CB -0.323 62.781 63.200 -0.161 0.000 0.818 168 S HN 0.231 nan 8.310 nan 0.000 0.472 169 L N 2.214 123.355 121.223 -0.137 0.000 2.046 169 L HA 0.171 4.511 4.340 -0.000 0.000 0.208 169 L C 2.921 179.576 176.870 -0.358 0.000 1.077 169 L CA 1.499 56.182 54.840 -0.262 0.000 0.747 169 L CB -1.578 40.367 42.059 -0.191 0.000 0.896 169 L HN 0.434 nan 8.230 nan 0.000 0.432 170 A N -1.721 121.034 122.820 -0.108 0.000 1.902 170 A HA -0.306 4.014 4.320 -0.000 0.000 0.217 170 A C 2.309 179.954 177.584 0.101 0.000 1.181 170 A CA 1.826 53.872 52.037 0.014 0.000 0.623 170 A CB -1.077 17.983 19.000 0.100 0.000 0.818 170 A HN 0.533 nan 8.150 nan 0.000 0.443 171 Y N 1.313 121.603 120.300 -0.016 0.000 2.049 171 Y HA -0.285 4.265 4.550 -0.000 0.000 0.277 171 Y C 2.228 178.259 175.900 0.219 0.000 1.143 171 Y CA 2.491 60.638 58.100 0.078 0.000 1.115 171 Y CB -0.360 37.996 38.460 -0.175 0.000 0.975 171 Y HN 0.410 nan 8.280 nan 0.000 0.487 172 I N -2.165 118.463 120.570 0.096 0.000 2.361 172 I HA -0.285 3.885 4.170 -0.000 0.000 0.251 172 I C 1.966 178.242 176.117 0.265 0.000 1.133 172 I CA 1.986 63.335 61.300 0.082 0.000 1.413 172 I CB -0.943 37.189 38.000 0.221 0.000 1.073 172 I HN 0.322 nan 8.210 nan 0.000 0.424 173 H N 1.243 120.397 119.070 0.139 0.000 2.423 173 H HA -0.100 4.456 4.556 -0.000 0.000 0.297 173 H C 2.574 177.961 175.328 0.099 0.000 1.075 173 H CA 1.118 57.240 56.048 0.123 0.000 1.342 173 H CB 0.100 29.930 29.762 0.113 0.000 1.395 173 H HN 0.568 nan 8.280 nan 0.000 0.530 174 S N 0.432 116.258 115.700 0.211 0.000 2.537 174 S HA -0.122 4.348 4.470 -0.000 0.000 0.240 174 S C 1.099 175.653 174.600 -0.076 0.000 0.981 174 S CA 0.778 59.003 58.200 0.041 0.000 0.948 174 S CB -0.375 62.809 63.200 -0.028 0.000 0.759 174 S HN 0.245 nan 8.310 nan 0.000 0.531 175 F N 1.399 121.300 119.950 -0.081 0.000 2.653 175 F HA 0.452 4.979 4.527 -0.000 0.000 0.304 175 F C 1.798 177.582 175.800 -0.028 0.000 1.092 175 F CA -0.336 57.614 58.000 -0.083 0.000 1.279 175 F CB 0.141 39.062 39.000 -0.133 0.000 1.044 175 F HN 0.321 nan 8.300 nan 0.000 0.564 176 G N 1.414 110.308 108.800 0.156 0.000 2.179 176 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.257 176 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.257 176 G C 0.193 175.158 174.900 0.108 0.000 1.010 176 G CA 0.031 45.188 45.100 0.095 0.000 0.736 176 G HN 0.344 nan 8.290 nan 0.000 0.513 177 I N 0.325 121.002 120.570 0.178 0.000 2.331 177 I HA 0.393 4.563 4.170 -0.000 0.000 0.292 177 I C 0.779 177.037 176.117 0.236 0.000 0.998 177 I CA -0.825 60.577 61.300 0.169 0.000 1.267 177 I CB 1.528 39.623 38.000 0.157 0.000 1.386 177 I HN 0.224 nan 8.210 nan 0.000 0.476 178 C N 6.602 126.003 119.300 0.168 0.000 2.295 178 C HA 0.279 4.738 4.460 -0.000 0.000 0.331 178 C C 1.795 176.909 174.990 0.206 0.000 1.280 178 C CA -0.396 58.741 59.018 0.198 0.000 1.746 178 C CB 0.305 28.116 27.740 0.118 0.000 2.328 178 C HN 0.886 nan 8.230 nan 0.000 0.521 179 H N 3.973 123.115 119.070 0.120 0.000 2.357 179 H HA -0.012 4.544 4.556 -0.000 0.000 0.301 179 H C 1.402 176.687 175.328 -0.072 0.000 1.082 179 H CA 2.229 58.246 56.048 -0.053 0.000 1.342 179 H CB 0.117 29.780 29.762 -0.166 0.000 1.389 179 H HN 0.900 nan 8.280 nan 0.000 0.511 180 R N -0.553 120.052 120.500 0.175 0.000 3.922 180 R HA -0.188 4.152 4.340 -0.000 0.000 0.447 180 R C -0.426 175.932 176.300 0.096 0.000 1.035 180 R CA 1.220 57.373 56.100 0.088 0.000 1.289 180 R CB -1.690 28.625 30.300 0.026 0.000 1.906 180 R HN 0.363 nan 8.270 nan 0.000 0.540 181 D N 0.112 120.675 120.400 0.271 0.000 3.007 181 D HA 0.178 4.818 4.640 -0.000 0.000 0.363 181 D C -0.501 175.838 176.300 0.065 0.000 1.474 181 D CA -0.290 53.809 54.000 0.165 0.000 0.767 181 D CB 0.333 41.168 40.800 0.058 0.000 1.227 181 D HN 0.018 nan 8.370 nan 0.000 0.471 182 I N 2.686 123.207 120.570 -0.081 0.000 2.505 182 I HA 0.155 4.325 4.170 -0.000 0.000 0.287 182 I C 0.639 176.541 176.117 -0.358 0.000 1.104 182 I CA 0.437 61.542 61.300 -0.325 0.000 1.387 182 I CB -0.237 37.611 38.000 -0.254 0.000 1.404 182 I HN 0.197 nan 8.210 nan 0.000 0.528 183 K N 6.527 126.651 120.400 -0.460 0.000 2.556 183 K HA 0.535 4.854 4.320 -0.000 0.000 0.274 183 K C -2.829 173.493 176.600 -0.464 0.000 0.966 183 K CA -1.497 54.343 56.287 -0.744 0.000 0.865 183 K CB 1.487 33.598 32.500 -0.649 0.000 1.444 183 K HN -0.110 nan 8.250 nan 0.000 0.433 184 P HA -0.207 nan 4.420 nan 0.000 0.217 184 P C 0.579 177.824 177.300 -0.092 0.000 1.148 184 P CA 1.405 64.413 63.100 -0.153 0.000 0.828 184 P CB 0.136 31.848 31.700 0.020 0.000 0.783 185 Q N -1.181 118.535 119.800 -0.140 0.000 2.364 185 Q HA -0.046 4.294 4.340 -0.000 0.000 0.207 185 Q C 1.063 177.008 176.000 -0.092 0.000 0.970 185 Q CA 0.924 56.682 55.803 -0.074 0.000 0.888 185 Q CB -0.803 27.849 28.738 -0.143 0.000 0.951 185 Q HN 0.299 nan 8.270 nan 0.000 0.469 186 N N -0.273 118.338 118.700 -0.148 0.000 2.268 186 N HA 0.136 4.876 4.740 -0.000 0.000 0.204 186 N C -0.800 174.609 175.510 -0.169 0.000 1.124 186 N CA 0.167 53.133 53.050 -0.141 0.000 0.838 186 N CB 0.622 39.019 38.487 -0.150 0.000 0.994 186 N HN 0.224 nan 8.380 nan 0.000 0.489 187 L N 1.568 122.688 121.223 -0.171 0.000 2.301 187 L HA 0.433 4.773 4.340 -0.000 0.000 0.278 187 L C -0.237 176.523 176.870 -0.183 0.000 1.022 187 L CA -0.497 54.230 54.840 -0.189 0.000 0.854 187 L CB 1.065 42.997 42.059 -0.212 0.000 1.226 187 L HN -0.208 nan 8.230 nan 0.000 0.429 188 L N 4.364 125.488 121.223 -0.165 0.000 2.371 188 L HA 0.500 4.840 4.340 -0.000 0.000 0.272 188 L C -0.255 176.480 176.870 -0.224 0.000 1.124 188 L CA -0.272 54.458 54.840 -0.182 0.000 0.816 188 L CB 0.973 42.935 42.059 -0.162 0.000 1.129 188 L HN 0.457 nan 8.230 nan 0.000 0.448 189 L N 2.277 123.349 121.223 -0.253 0.000 2.381 189 L HA 0.424 4.763 4.340 -0.000 0.000 0.268 189 L C -0.633 176.120 176.870 -0.193 0.000 0.997 189 L CA -0.513 54.160 54.840 -0.278 0.000 0.818 189 L CB 2.410 44.227 42.059 -0.404 0.000 1.310 189 L HN 0.582 nan 8.230 nan 0.000 0.416 190 D N 3.712 124.034 120.400 -0.130 0.000 2.477 190 D HA 0.242 4.882 4.640 -0.000 0.000 0.239 190 D C -1.947 174.328 176.300 -0.043 0.000 1.102 190 D CA -1.734 52.215 54.000 -0.085 0.000 0.901 190 D CB 1.942 42.708 40.800 -0.056 0.000 1.026 190 D HN 0.166 nan 8.370 nan 0.000 0.515 191 P HA -0.191 nan 4.420 nan 0.000 0.219 191 P C 0.629 177.938 177.300 0.014 0.000 1.151 191 P CA 1.175 64.255 63.100 -0.034 0.000 0.850 191 P CB 0.466 32.129 31.700 -0.061 0.000 0.784 192 D N -1.817 118.592 120.400 0.015 0.000 2.106 192 D HA -0.089 4.551 4.640 -0.000 0.000 0.203 192 D C 2.018 178.347 176.300 0.048 0.000 0.977 192 D CA 2.114 56.134 54.000 0.033 0.000 0.844 192 D CB -1.333 39.479 40.800 0.019 0.000 1.002 192 D HN 0.254 nan 8.370 nan 0.000 0.461 193 T N -1.531 113.041 114.554 0.031 0.000 3.035 193 T HA 0.243 4.593 4.350 -0.000 0.000 0.268 193 T C 1.331 176.065 174.700 0.056 0.000 1.109 193 T CA 1.250 63.367 62.100 0.027 0.000 1.119 193 T CB -0.048 68.822 68.868 0.002 0.000 0.900 193 T HN 0.277 nan 8.240 nan 0.000 0.503 194 A N -0.451 122.429 122.820 0.099 0.000 2.945 194 A HA -0.072 4.248 4.320 -0.000 0.000 0.251 194 A C 0.383 178.067 177.584 0.167 0.000 1.355 194 A CA 0.602 52.761 52.037 0.205 0.000 0.905 194 A CB -2.583 16.552 19.000 0.226 0.000 1.104 194 A HN 0.625 nan 8.150 nan 0.000 0.733 195 V N 0.147 120.097 119.914 0.061 0.000 2.546 195 V HA 0.599 4.719 4.120 -0.000 0.000 0.284 195 V C 0.522 176.603 176.094 -0.022 0.000 1.050 195 V CA 0.362 62.672 62.300 0.017 0.000 0.981 195 V CB 1.628 33.436 31.823 -0.024 0.000 0.990 195 V HN 0.715 nan 8.190 nan 0.000 0.474 196 L N 5.299 126.511 121.223 -0.018 0.000 2.334 196 L HA 0.666 5.006 4.340 -0.000 0.000 0.276 196 L C -0.513 176.314 176.870 -0.071 0.000 1.014 196 L CA -0.403 54.387 54.840 -0.084 0.000 0.815 196 L CB 1.538 43.553 42.059 -0.073 0.000 1.268 196 L HN 0.572 nan 8.230 nan 0.000 0.428 197 K N 4.818 125.161 120.400 -0.096 0.000 2.541 197 K HA 0.384 4.704 4.320 -0.000 0.000 0.250 197 K C -1.416 175.149 176.600 -0.059 0.000 0.950 197 K CA -0.743 55.508 56.287 -0.060 0.000 0.805 197 K CB 2.268 34.735 32.500 -0.056 0.000 1.166 197 K HN 0.432 nan 8.250 nan 0.000 0.430 198 L N 4.074 125.283 121.223 -0.023 0.000 2.416 198 L HA 0.310 4.650 4.340 -0.000 0.000 0.272 198 L C -0.280 176.657 176.870 0.111 0.000 1.161 198 L CA 0.334 55.159 54.840 -0.025 0.000 0.845 198 L CB 0.310 42.364 42.059 -0.010 0.000 1.119 198 L HN 0.932 nan 8.230 nan 0.000 0.464 199 C N 1.958 121.284 119.300 0.043 0.000 3.336 199 C HA 0.681 5.141 4.460 -0.000 0.000 0.352 199 C C -0.322 174.692 174.990 0.041 0.000 1.567 199 C CA -0.589 58.516 59.018 0.145 0.000 1.328 199 C CB 1.198 28.974 27.740 0.061 0.000 1.922 199 C HN 0.977 nan 8.230 nan 0.000 0.439 200 D N -0.288 120.160 120.400 0.080 0.000 3.620 200 D HA -0.166 4.474 4.640 -0.000 0.000 0.237 200 D C -0.609 175.500 176.300 -0.319 0.000 1.111 200 D CA 0.439 54.416 54.000 -0.040 0.000 1.070 200 D CB -1.158 39.610 40.800 -0.054 0.000 0.891 200 D HN 0.591 nan 8.370 nan 0.000 0.412 201 F N 0.730 120.538 119.950 -0.237 0.000 2.701 201 F HA 0.366 4.893 4.527 -0.000 0.000 0.295 201 F C 2.233 177.760 175.800 -0.456 0.000 1.165 201 F CA 0.220 57.987 58.000 -0.389 0.000 1.399 201 F CB 0.365 39.216 39.000 -0.249 0.000 0.996 201 F HN 0.367 nan 8.300 nan 0.000 0.513 202 G N -0.317 108.201 108.800 -0.470 0.000 2.442 202 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 202 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 202 G C 1.599 175.770 174.900 -1.214 0.000 1.141 202 G CA 1.182 45.723 45.100 -0.932 0.000 0.763 202 G HN 0.389 nan 8.290 nan 0.000 0.554 203 S N 0.238 115.489 115.700 -0.749 0.000 2.524 203 S HA 0.557 5.027 4.470 -0.000 0.000 0.215 203 S C 1.235 175.665 174.600 -0.283 0.000 0.986 203 S CA 0.063 58.001 58.200 -0.435 0.000 0.911 203 S CB 0.475 63.541 63.200 -0.223 0.000 0.805 203 S HN 0.635 nan 8.310 nan 0.000 0.501 204 A N 2.394 125.007 122.820 -0.344 0.000 2.555 204 A HA 0.431 4.751 4.320 -0.000 0.000 0.233 204 A C 0.311 177.862 177.584 -0.056 0.000 1.060 204 A CA 0.342 52.277 52.037 -0.170 0.000 0.759 204 A CB 0.106 19.081 19.000 -0.043 0.000 0.995 204 A HN 0.398 nan 8.150 nan 0.000 0.506 205 K N 0.992 121.397 120.400 0.008 0.000 2.578 205 K HA 0.270 4.590 4.320 -0.000 0.000 0.269 205 K C -1.136 175.486 176.600 0.036 0.000 0.941 205 K CA -0.498 55.798 56.287 0.015 0.000 0.847 205 K CB 1.203 33.708 32.500 0.008 0.000 1.397 205 K HN 0.778 nan 8.250 nan 0.000 0.422 206 Q N 4.817 124.633 119.800 0.027 0.000 2.361 206 Q HA 0.241 4.581 4.340 -0.000 0.000 0.250 206 Q C -0.805 175.198 176.000 0.005 0.000 1.023 206 Q CA -0.477 55.345 55.803 0.032 0.000 0.915 206 Q CB 0.445 29.204 28.738 0.035 0.000 1.238 206 Q HN 0.479 nan 8.270 nan 0.000 0.451 207 L N 3.900 125.120 121.223 -0.006 0.000 2.380 207 L HA 0.349 4.689 4.340 -0.000 0.000 0.273 207 L C -0.397 176.446 176.870 -0.045 0.000 1.138 207 L CA -0.629 54.182 54.840 -0.047 0.000 0.832 207 L CB 0.928 42.943 42.059 -0.073 0.000 1.124 207 L HN 0.333 nan 8.230 nan 0.000 0.454 208 V N 3.693 123.572 119.914 -0.058 0.000 2.487 208 V HA 0.359 4.479 4.120 -0.000 0.000 0.298 208 V C 0.276 176.335 176.094 -0.058 0.000 1.028 208 V CA -0.828 61.444 62.300 -0.045 0.000 0.860 208 V CB 1.820 33.623 31.823 -0.034 0.000 0.991 208 V HN 0.702 nan 8.190 nan 0.000 0.427 209 R N 2.572 123.044 120.500 -0.046 0.000 2.585 209 R HA 0.350 4.690 4.340 -0.000 0.000 0.275 209 R C 1.421 177.695 176.300 -0.044 0.000 1.018 209 R CA 1.085 57.157 56.100 -0.047 0.000 1.072 209 R CB 0.152 30.433 30.300 -0.031 0.000 0.953 209 R HN 1.167 nan 8.270 nan 0.000 0.419 210 G N 2.196 110.967 108.800 -0.049 0.000 2.454 210 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.225 210 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.225 210 G C -0.218 174.653 174.900 -0.048 0.000 1.138 210 G CA -0.071 45.005 45.100 -0.041 0.000 0.667 210 G HN 0.614 nan 8.290 nan 0.000 0.512 211 E N 2.440 122.606 120.200 -0.056 0.000 2.259 211 E HA 0.472 4.822 4.350 -0.000 0.000 0.281 211 E C -2.392 174.153 176.600 -0.092 0.000 1.027 211 E CA -1.718 54.647 56.400 -0.059 0.000 0.838 211 E CB 1.152 30.822 29.700 -0.049 0.000 1.066 211 E HN 0.264 nan 8.360 nan 0.000 0.401 212 P HA 0.073 nan 4.420 nan 0.000 0.272 212 P C -0.945 176.276 177.300 -0.131 0.000 1.223 212 P CA -0.252 62.785 63.100 -0.105 0.000 0.784 212 P CB 0.669 32.336 31.700 -0.056 0.000 0.923 213 N N -0.094 118.497 118.700 -0.182 0.000 2.229 213 N HA 0.302 5.042 4.740 -0.000 0.000 0.298 213 N C -0.871 174.621 175.510 -0.029 0.000 1.114 213 N CA -0.665 52.295 53.050 -0.150 0.000 0.776 213 N CB 1.836 40.122 38.487 -0.336 0.000 1.501 213 N HN 0.141 nan 8.380 nan 0.000 0.474 214 V N -0.376 119.488 119.914 -0.084 0.000 2.843 214 V HA 0.191 4.311 4.120 -0.000 0.000 0.305 214 V C 1.277 177.300 176.094 -0.119 0.000 1.065 214 V CA -0.121 62.020 62.300 -0.265 0.000 1.116 214 V CB 0.809 32.151 31.823 -0.803 0.000 0.968 214 V HN 0.842 nan 8.190 nan 0.000 0.487 215 S N 1.591 117.220 115.700 -0.118 0.000 2.557 215 S HA 0.124 4.594 4.470 -0.000 0.000 0.223 215 S C 0.730 175.300 174.600 -0.049 0.000 0.969 215 S CA 0.224 58.408 58.200 -0.027 0.000 0.927 215 S CB -0.658 62.582 63.200 0.066 0.000 0.806 215 S HN 1.102 nan 8.310 nan 0.000 0.489 216 Y N 1.932 122.251 120.300 0.032 0.000 2.645 216 Y HA 0.561 5.111 4.550 -0.000 0.000 0.307 216 Y C 0.403 176.311 175.900 0.013 0.000 1.151 216 Y CA -2.079 56.026 58.100 0.007 0.000 1.291 216 Y CB -0.644 37.821 38.460 0.009 0.000 1.135 216 Y HN 0.298 nan 8.280 nan 0.000 0.523 217 I N -1.756 118.823 120.570 0.015 0.000 3.062 217 I HA 0.636 4.806 4.170 -0.000 0.000 0.318 217 I C 0.415 176.550 176.117 0.030 0.000 1.026 217 I CA -1.603 59.731 61.300 0.055 0.000 1.096 217 I CB 0.998 39.006 38.000 0.013 0.000 1.348 217 I HN 0.278 nan 8.210 nan 0.000 0.543 218 C N 1.743 121.073 119.300 0.051 0.000 0.168 218 C HA -0.119 4.341 4.460 -0.000 0.000 0.017 218 C C 0.541 175.578 174.990 0.078 0.000 0.171 218 C CA 0.327 59.381 59.018 0.060 0.000 0.500 218 C CB -1.761 25.999 27.740 0.033 0.000 3.212 218 C HN 1.252 nan 8.230 nan 0.000 1.118 219 S N 5.343 121.109 115.700 0.112 0.000 2.516 219 S HA 0.259 4.729 4.470 -0.000 0.000 0.282 219 S C 1.548 176.216 174.600 0.114 0.000 1.286 219 S CA 0.068 58.334 58.200 0.111 0.000 1.066 219 S CB 0.585 63.886 63.200 0.168 0.000 0.884 219 S HN 0.742 nan 8.310 nan 0.000 0.491 220 R N 4.123 124.595 120.500 -0.047 0.000 2.261 220 R HA -0.256 4.084 4.340 -0.000 0.000 0.241 220 R C 1.693 178.001 176.300 0.013 0.000 1.113 220 R CA 2.680 58.726 56.100 -0.090 0.000 0.908 220 R CB -1.599 28.530 30.300 -0.286 0.000 0.938 220 R HN 0.907 nan 8.270 nan 0.000 0.427 221 Y N -1.304 118.919 120.300 -0.127 0.000 2.403 221 Y HA -0.202 4.348 4.550 -0.000 0.000 0.291 221 Y C 1.560 177.140 175.900 -0.533 0.000 1.143 221 Y CA 0.412 58.277 58.100 -0.392 0.000 1.257 221 Y CB -0.155 37.909 38.460 -0.659 0.000 0.984 221 Y HN 0.194 nan 8.280 nan 0.000 0.550 222 Y N -0.791 119.686 120.300 0.295 0.000 2.458 222 Y HA 0.202 4.752 4.550 -0.000 0.000 0.256 222 Y C 0.550 176.656 175.900 0.344 0.000 1.159 222 Y CA -0.851 57.436 58.100 0.312 0.000 1.261 222 Y CB -0.015 38.557 38.460 0.186 0.000 1.119 222 Y HN -0.215 nan 8.280 nan 0.000 0.524 223 R N 1.581 122.240 120.500 0.264 0.000 2.484 223 R HA 0.340 4.680 4.340 -0.000 0.000 0.293 223 R C 0.386 176.590 176.300 -0.161 0.000 1.023 223 R CA -0.035 56.105 56.100 0.067 0.000 1.037 223 R CB 0.403 30.686 30.300 -0.029 0.000 0.951 223 R HN 0.186 nan 8.270 nan 0.000 0.418 224 A N 5.617 128.215 122.820 -0.370 0.000 2.407 224 A HA 0.202 4.522 4.320 -0.000 0.000 0.248 224 A C -1.493 175.610 177.584 -0.802 0.000 1.082 224 A CA -1.410 50.000 52.037 -1.046 0.000 0.785 224 A CB 0.193 18.924 19.000 -0.450 0.000 1.020 224 A HN 0.541 nan 8.150 nan 0.000 0.489 225 P HA -0.270 nan 4.420 nan 0.000 0.216 225 P C 1.355 178.562 177.300 -0.155 0.000 1.154 225 P CA 1.873 64.659 63.100 -0.522 0.000 0.865 225 P CB 0.051 31.545 31.700 -0.344 0.000 0.789 226 E N -0.477 119.681 120.200 -0.071 0.000 2.118 226 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 226 E C 1.831 178.452 176.600 0.035 0.000 0.992 226 E CA 1.289 57.742 56.400 0.089 0.000 0.804 226 E CB -1.347 28.397 29.700 0.073 0.000 0.741 226 E HN 0.158 nan 8.360 nan 0.000 0.458 227 L N 1.363 122.507 121.223 -0.131 0.000 2.017 227 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 227 L C 2.683 179.495 176.870 -0.096 0.000 1.073 227 L CA 1.310 56.055 54.840 -0.158 0.000 0.745 227 L CB -0.849 41.060 42.059 -0.249 0.000 0.894 227 L HN 0.154 nan 8.230 nan 0.000 0.432 228 I N -1.692 118.771 120.570 -0.179 0.000 2.264 228 I HA -0.329 3.841 4.170 -0.000 0.000 0.248 228 I C 1.929 177.955 176.117 -0.151 0.000 1.111 228 I CA 1.141 62.308 61.300 -0.221 0.000 1.382 228 I CB -0.383 37.380 38.000 -0.395 0.000 1.060 228 I HN 0.104 nan 8.210 nan 0.000 0.418 229 F N 1.003 120.925 119.950 -0.046 0.000 2.771 229 F HA 0.096 4.623 4.527 -0.000 0.000 0.299 229 F C 1.928 177.745 175.800 0.029 0.000 1.177 229 F CA 0.868 58.867 58.000 -0.001 0.000 1.450 229 F CB -0.561 38.441 39.000 0.003 0.000 1.114 229 F HN 0.245 nan 8.300 nan 0.000 0.587 230 G N -0.374 108.534 108.800 0.180 0.000 2.195 230 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.246 230 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.246 230 G C 0.615 175.608 174.900 0.154 0.000 0.984 230 G CA -0.161 45.027 45.100 0.146 0.000 0.633 230 G HN 0.645 nan 8.290 nan 0.000 0.525 231 A N 0.481 123.409 122.820 0.179 0.000 2.603 231 A HA 0.458 4.778 4.320 -0.000 0.000 0.235 231 A C 1.531 179.270 177.584 0.259 0.000 1.035 231 A CA 2.147 54.303 52.037 0.199 0.000 0.755 231 A CB 0.086 19.220 19.000 0.224 0.000 0.954 231 A HN 1.794 nan 8.150 nan 0.000 0.511 232 T N -1.776 112.870 114.554 0.152 0.000 3.043 232 T HA 0.216 4.566 4.350 -0.000 0.000 0.272 232 T C 0.059 174.676 174.700 -0.139 0.000 0.990 232 T CA 0.500 62.640 62.100 0.068 0.000 0.897 232 T CB 0.030 68.913 68.868 0.025 0.000 1.111 232 T HN 0.696 nan 8.240 nan 0.000 0.529 233 D N 0.944 121.296 120.400 -0.081 0.000 2.670 233 D HA 0.137 4.777 4.640 -0.000 0.000 0.255 233 D C 0.241 176.464 176.300 -0.129 0.000 1.286 233 D CA -0.882 53.029 54.000 -0.148 0.000 0.830 233 D CB -0.979 39.792 40.800 -0.049 0.000 1.065 233 D HN 0.614 nan 8.370 nan 0.000 0.486 234 Y N 0.214 120.516 120.300 0.003 0.000 2.260 234 Y HA 0.549 5.099 4.550 -0.000 0.000 0.339 234 Y C 0.891 176.791 175.900 0.000 0.000 1.317 234 Y CA -0.867 57.238 58.100 0.008 0.000 1.514 234 Y CB 0.017 38.483 38.460 0.009 0.000 1.382 234 Y HN -0.033 nan 8.280 nan 0.000 0.581 235 T N -3.220 111.463 114.554 0.215 0.000 2.762 235 T HA 0.332 4.681 4.350 -0.000 0.000 0.272 235 T C 0.686 175.465 174.700 0.132 0.000 0.982 235 T CA -0.431 61.729 62.100 0.099 0.000 1.013 235 T CB 0.905 69.803 68.868 0.049 0.000 1.309 235 T HN 0.601 nan 8.240 nan 0.000 0.572 236 S N 0.938 116.622 115.700 -0.027 0.000 2.469 236 S HA -0.087 4.383 4.470 -0.000 0.000 0.238 236 S C 2.180 176.763 174.600 -0.029 0.000 0.998 236 S CA 1.078 59.170 58.200 -0.181 0.000 0.957 236 S CB -0.765 61.988 63.200 -0.746 0.000 0.764 236 S HN 0.896 nan 8.310 nan 0.000 0.514 237 S N 2.541 118.283 115.700 0.070 0.000 2.493 237 S HA -0.114 4.356 4.470 -0.000 0.000 0.243 237 S C 1.773 176.510 174.600 0.228 0.000 0.991 237 S CA 0.960 59.263 58.200 0.172 0.000 0.957 237 S CB -1.072 62.224 63.200 0.161 0.000 0.756 237 S HN 0.786 nan 8.310 nan 0.000 0.521 238 I N -0.131 120.554 120.570 0.192 0.000 2.361 238 I HA -0.108 4.062 4.170 -0.000 0.000 0.251 238 I C 1.564 177.832 176.117 0.252 0.000 1.133 238 I CA 1.567 62.974 61.300 0.178 0.000 1.413 238 I CB -0.568 37.441 38.000 0.015 0.000 1.073 238 I HN -0.024 nan 8.210 nan 0.000 0.424 239 D N 1.630 122.185 120.400 0.259 0.000 2.178 239 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 239 D C 2.516 178.984 176.300 0.279 0.000 0.980 239 D CA 1.331 55.488 54.000 0.262 0.000 0.842 239 D CB -0.200 40.802 40.800 0.337 0.000 0.948 239 D HN 0.356 nan 8.370 nan 0.000 0.472 240 V N 0.914 121.033 119.914 0.341 0.000 2.358 240 V HA -0.171 3.949 4.120 -0.000 0.000 0.246 240 V C 2.169 178.460 176.094 0.328 0.000 1.047 240 V CA 1.102 63.614 62.300 0.354 0.000 1.035 240 V CB -0.419 31.600 31.823 0.327 0.000 0.658 240 V HN 0.383 nan 8.190 nan 0.000 0.452 241 W N 1.213 122.624 121.300 0.185 0.000 2.333 241 W HA -0.231 4.429 4.660 -0.000 0.000 0.316 241 W C 2.510 179.151 176.519 0.204 0.000 1.215 241 W CA 2.231 59.683 57.345 0.178 0.000 1.278 241 W CB -0.632 28.911 29.460 0.138 0.000 1.154 241 W HN 0.322 nan 8.180 nan 0.000 0.486 242 S N 1.259 117.222 115.700 0.438 0.000 2.359 242 S HA -0.249 4.221 4.470 -0.000 0.000 0.222 242 S C 2.172 176.873 174.600 0.167 0.000 1.038 242 S CA 2.364 60.772 58.200 0.347 0.000 1.051 242 S CB -1.187 62.170 63.200 0.262 0.000 0.944 242 S HN 0.403 nan 8.310 nan 0.000 0.433 243 A N 1.391 124.263 122.820 0.085 0.000 1.948 243 A HA -0.060 4.260 4.320 -0.000 0.000 0.220 243 A C 2.335 179.937 177.584 0.030 0.000 1.177 243 A CA 1.994 54.004 52.037 -0.046 0.000 0.636 243 A CB -1.492 17.437 19.000 -0.118 0.000 0.815 243 A HN 0.560 nan 8.150 nan 0.000 0.449 244 G N -1.252 107.593 108.800 0.075 0.000 2.408 244 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 244 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 244 G C 1.540 176.396 174.900 -0.072 0.000 1.150 244 G CA 1.240 46.333 45.100 -0.012 0.000 0.776 244 G HN 0.540 nan 8.290 nan 0.000 0.542 245 C N -0.143 119.121 119.300 -0.060 0.000 2.422 245 C HA 0.038 4.498 4.460 -0.000 0.000 0.279 245 C C 3.030 178.102 174.990 0.138 0.000 1.305 245 C CA 0.527 59.555 59.018 0.016 0.000 1.757 245 C CB -0.806 27.044 27.740 0.183 0.000 1.962 245 C HN 0.287 nan 8.230 nan 0.000 0.499 246 V N 0.840 120.852 119.914 0.163 0.000 2.307 246 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 246 V C 2.383 178.519 176.094 0.069 0.000 1.045 246 V CA 1.941 64.316 62.300 0.126 0.000 1.024 246 V CB -0.761 31.061 31.823 -0.001 0.000 0.651 246 V HN 0.512 nan 8.190 nan 0.000 0.449 247 L N 1.257 122.497 121.223 0.028 0.000 2.013 247 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 247 L C 2.413 179.273 176.870 -0.017 0.000 1.073 247 L CA 2.661 57.505 54.840 0.005 0.000 0.753 247 L CB -1.075 40.974 42.059 -0.016 0.000 0.890 247 L HN 0.224 nan 8.230 nan 0.000 0.432 248 A N -0.755 122.067 122.820 0.003 0.000 1.933 248 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 248 A C 2.309 179.959 177.584 0.110 0.000 1.175 248 A CA 1.674 53.775 52.037 0.107 0.000 0.628 248 A CB -0.760 18.297 19.000 0.095 0.000 0.814 248 A HN 0.699 nan 8.150 nan 0.000 0.444 249 E N -0.757 119.479 120.200 0.060 0.000 2.150 249 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 249 E C 1.545 178.196 176.600 0.085 0.000 0.985 249 E CA 0.909 57.350 56.400 0.068 0.000 0.814 249 E CB -0.153 29.620 29.700 0.122 0.000 0.752 249 E HN 0.344 nan 8.360 nan 0.000 0.466 250 L N 0.568 121.839 121.223 0.079 0.000 2.291 250 L HA 0.003 4.343 4.340 -0.000 0.000 0.214 250 L C 1.931 178.827 176.870 0.045 0.000 1.120 250 L CA 1.197 56.079 54.840 0.069 0.000 0.799 250 L CB -0.206 41.902 42.059 0.081 0.000 0.925 250 L HN 0.306 nan 8.230 nan 0.000 0.446 251 L N -2.299 118.947 121.223 0.037 0.000 2.477 251 L HA -0.003 4.337 4.340 -0.000 0.000 0.220 251 L C 1.880 178.829 176.870 0.131 0.000 1.106 251 L CA 0.303 55.151 54.840 0.014 0.000 0.851 251 L CB -0.020 41.928 42.059 -0.185 0.000 0.994 251 L HN 0.181 nan 8.230 nan 0.000 0.462 252 L N -0.947 120.377 121.223 0.168 0.000 2.470 252 L HA 0.258 4.598 4.340 -0.000 0.000 0.219 252 L C 1.553 178.470 176.870 0.079 0.000 1.071 252 L CA 0.748 55.677 54.840 0.148 0.000 0.850 252 L CB 0.095 42.208 42.059 0.090 0.000 1.040 252 L HN 0.377 nan 8.230 nan 0.000 0.475 253 G N 0.336 109.180 108.800 0.072 0.000 2.175 253 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.244 253 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.244 253 G C 0.085 175.018 174.900 0.054 0.000 0.982 253 G CA 0.398 45.538 45.100 0.067 0.000 0.641 253 G HN 0.477 nan 8.290 nan 0.000 0.527 254 Q N -1.615 118.202 119.800 0.028 0.000 2.575 254 Q HA 0.638 4.978 4.340 -0.000 0.000 0.290 254 Q C -3.393 172.571 176.000 -0.060 0.000 0.963 254 Q CA -2.265 53.536 55.803 -0.003 0.000 0.783 254 Q CB 1.255 29.971 28.738 -0.035 0.000 1.467 254 Q HN 0.073 nan 8.270 nan 0.000 0.402 255 P HA 0.020 nan 4.420 nan 0.000 0.265 255 P C -0.125 176.980 177.300 -0.325 0.000 1.193 255 P CA 0.275 63.217 63.100 -0.262 0.000 0.765 255 P CB 0.520 31.875 31.700 -0.574 0.000 0.823 256 I N 2.457 122.797 120.570 -0.383 0.000 2.500 256 I HA -0.043 4.127 4.170 -0.000 0.000 0.252 256 I C 0.023 175.754 176.117 -0.643 0.000 1.142 256 I CA 0.989 61.945 61.300 -0.572 0.000 1.451 256 I CB 0.225 37.739 38.000 -0.810 0.000 1.093 256 I HN 0.141 nan 8.210 nan 0.000 0.430 257 F N 2.134 121.968 119.950 -0.193 0.000 2.389 257 F HA 0.479 5.006 4.527 -0.000 0.000 0.327 257 F C -2.353 173.321 175.800 -0.209 0.000 1.204 257 F CA -3.230 54.683 58.000 -0.145 0.000 1.209 257 F CB -0.397 38.595 39.000 -0.013 0.000 1.460 257 F HN -0.083 nan 8.300 nan 0.000 0.537 258 P HA 0.634 nan 4.420 nan 0.000 0.279 258 P C -0.070 177.236 177.300 0.010 0.000 1.282 258 P CA -0.548 62.370 63.100 -0.303 0.000 0.788 258 P CB 1.275 32.768 31.700 -0.345 0.000 1.139 259 G N -0.291 108.574 108.800 0.108 0.000 2.146 259 G HA2 0.076 4.036 3.960 -0.000 0.000 0.261 259 G HA3 0.076 4.036 3.960 -0.000 0.000 0.261 259 G C -0.327 174.641 174.900 0.113 0.000 1.745 259 G CA -0.467 44.686 45.100 0.088 0.000 0.905 259 G HN 0.268 nan 8.290 nan 0.000 0.746 260 D N 0.257 120.699 120.400 0.070 0.000 2.097 260 D HA 0.030 4.669 4.640 -0.000 0.000 0.197 260 D C 2.131 178.443 176.300 0.020 0.000 0.984 260 D CA 1.960 55.991 54.000 0.051 0.000 0.826 260 D CB 0.177 40.996 40.800 0.033 0.000 0.973 260 D HN 0.710 nan 8.370 nan 0.000 0.460 261 S N -1.356 114.346 115.700 0.003 0.000 2.722 261 S HA 0.545 5.015 4.470 -0.000 0.000 0.292 261 S C 1.414 175.986 174.600 -0.046 0.000 1.135 261 S CA -0.251 57.930 58.200 -0.031 0.000 1.003 261 S CB 1.803 64.974 63.200 -0.049 0.000 1.067 261 S HN 0.087 nan 8.310 nan 0.000 0.546 262 G N 0.291 109.039 108.800 -0.087 0.000 2.432 262 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.219 262 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.219 262 G C 1.145 175.966 174.900 -0.131 0.000 1.135 262 G CA 0.785 45.811 45.100 -0.123 0.000 0.767 262 G HN 0.600 nan 8.290 nan 0.000 0.550 263 V N 1.558 121.388 119.914 -0.141 0.000 2.343 263 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 263 V C 2.588 178.713 176.094 0.052 0.000 1.051 263 V CA 2.218 64.467 62.300 -0.085 0.000 1.036 263 V CB -0.323 31.376 31.823 -0.207 0.000 0.654 263 V HN 0.362 nan 8.190 nan 0.000 0.451 264 D N -0.535 119.874 120.400 0.014 0.000 2.097 264 D HA -0.197 4.443 4.640 -0.000 0.000 0.195 264 D C 2.232 178.536 176.300 0.007 0.000 0.989 264 D CA 1.196 55.215 54.000 0.032 0.000 0.827 264 D CB -0.297 40.519 40.800 0.027 0.000 0.966 264 D HN 0.515 nan 8.370 nan 0.000 0.456 265 Q N -0.138 119.651 119.800 -0.017 0.000 2.096 265 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 265 Q C 2.191 178.105 176.000 -0.143 0.000 0.982 265 Q CA 0.689 56.465 55.803 -0.045 0.000 0.850 265 Q CB -0.056 28.654 28.738 -0.047 0.000 0.901 265 Q HN 0.157 nan 8.270 nan 0.000 0.422 266 L N -0.197 120.932 121.223 -0.155 0.000 2.046 266 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 266 L C 2.242 178.983 176.870 -0.216 0.000 1.077 266 L CA 1.373 56.070 54.840 -0.238 0.000 0.747 266 L CB -0.928 41.028 42.059 -0.172 0.000 0.896 266 L HN 0.077 nan 8.230 nan 0.000 0.432 267 V N -0.315 119.559 119.914 -0.066 0.000 2.343 267 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 267 V C 2.508 178.547 176.094 -0.092 0.000 1.051 267 V CA 1.406 63.673 62.300 -0.054 0.000 1.036 267 V CB -0.473 31.387 31.823 0.062 0.000 0.654 267 V HN 0.467 nan 8.190 nan 0.000 0.451 268 E N 0.107 120.269 120.200 -0.062 0.000 2.058 268 E HA -0.216 4.133 4.350 -0.000 0.000 0.194 268 E C 2.199 178.763 176.600 -0.059 0.000 0.997 268 E CA 1.553 57.947 56.400 -0.009 0.000 0.801 268 E CB -0.391 29.388 29.700 0.132 0.000 0.746 268 E HN 0.551 nan 8.360 nan 0.000 0.450 269 I N 1.188 121.577 120.570 -0.302 0.000 2.163 269 I HA -0.273 3.897 4.170 -0.000 0.000 0.243 269 I C 2.567 178.551 176.117 -0.221 0.000 1.085 269 I CA 1.100 62.087 61.300 -0.523 0.000 1.347 269 I CB -0.273 37.362 38.000 -0.608 0.000 1.044 269 I HN 0.008 nan 8.210 nan 0.000 0.408 270 I N 0.367 120.841 120.570 -0.160 0.000 2.361 270 I HA -0.280 3.890 4.170 -0.000 0.000 0.251 270 I C 2.130 178.154 176.117 -0.156 0.000 1.133 270 I CA 1.318 62.560 61.300 -0.097 0.000 1.413 270 I CB -0.359 37.525 38.000 -0.192 0.000 1.073 270 I HN 0.143 nan 8.210 nan 0.000 0.424 271 K N 0.112 120.383 120.400 -0.215 0.000 2.574 271 K HA -0.009 4.311 4.320 -0.000 0.000 0.193 271 K C 1.295 177.670 176.600 -0.376 0.000 1.035 271 K CA 0.589 56.653 56.287 -0.372 0.000 0.982 271 K CB 0.342 32.615 32.500 -0.378 0.000 0.795 271 K HN 0.256 nan 8.250 nan 0.000 0.491 272 V N -0.371 119.374 119.914 -0.283 0.000 3.480 272 V HA 0.036 4.156 4.120 -0.000 0.000 0.263 272 V C 1.211 176.985 176.094 -0.534 0.000 1.442 272 V CA 0.234 62.268 62.300 -0.443 0.000 1.053 272 V CB 0.460 31.970 31.823 -0.521 0.000 0.846 272 V HN 0.169 nan 8.190 nan 0.000 0.440 273 L N 0.142 121.194 121.223 -0.285 0.000 2.781 273 L HA 0.636 4.976 4.340 -0.000 0.000 0.245 273 L C 1.050 177.959 176.870 0.065 0.000 1.118 273 L CA 0.716 55.468 54.840 -0.147 0.000 0.918 273 L CB 0.410 42.321 42.059 -0.247 0.000 1.246 273 L HN 0.472 nan 8.230 nan 0.000 0.526 274 G N 0.811 109.637 108.800 0.042 0.000 2.746 274 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.685 274 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.685 274 G C -0.254 174.703 174.900 0.096 0.000 1.350 274 G CA -0.644 44.498 45.100 0.070 0.000 0.837 274 G HN -0.039 nan 8.290 nan 0.000 0.564 275 T N 2.929 117.482 114.554 -0.001 0.000 2.930 275 T HA 0.464 4.814 4.350 -0.000 0.000 0.306 275 T C -2.011 172.574 174.700 -0.192 0.000 1.045 275 T CA 0.160 62.199 62.100 -0.101 0.000 1.134 275 T CB 1.001 69.818 68.868 -0.084 0.000 0.961 275 T HN 0.514 nan 8.240 nan 0.000 0.545 276 P HA 0.209 nan 4.420 nan 0.000 0.281 276 P C 0.266 177.382 177.300 -0.306 0.000 1.252 276 P CA -0.473 62.255 63.100 -0.620 0.000 0.778 276 P CB 0.297 31.463 31.700 -0.890 0.000 0.895 277 T N 0.760 115.191 114.554 -0.205 0.000 2.856 277 T HA 0.095 4.445 4.350 -0.000 0.000 0.306 277 T C 1.389 175.991 174.700 -0.163 0.000 1.062 277 T CA -0.286 61.738 62.100 -0.126 0.000 1.083 277 T CB 0.534 69.365 68.868 -0.062 0.000 0.984 277 T HN 0.281 nan 8.240 nan 0.000 0.542 278 R N 0.422 120.847 120.500 -0.124 0.000 2.117 278 R HA -0.155 4.185 4.340 -0.000 0.000 0.243 278 R C 2.219 178.438 176.300 -0.134 0.000 1.143 278 R CA 1.955 57.971 56.100 -0.140 0.000 0.968 278 R CB -0.418 29.844 30.300 -0.064 0.000 0.863 278 R HN 0.882 nan 8.270 nan 0.000 0.444 279 E N 1.016 121.166 120.200 -0.083 0.000 2.013 279 E HA -0.239 4.111 4.350 -0.000 0.000 0.202 279 E C 1.821 178.371 176.600 -0.082 0.000 1.018 279 E CA 2.030 58.399 56.400 -0.053 0.000 0.834 279 E CB -0.356 29.330 29.700 -0.023 0.000 0.770 279 E HN 0.342 nan 8.360 nan 0.000 0.459 280 Q N -0.306 119.438 119.800 -0.094 0.000 2.047 280 Q HA -0.225 4.115 4.340 -0.000 0.000 0.211 280 Q C 2.450 178.331 176.000 -0.198 0.000 1.005 280 Q CA 2.180 57.920 55.803 -0.104 0.000 0.866 280 Q CB -0.547 28.113 28.738 -0.129 0.000 0.938 280 Q HN 0.368 nan 8.270 nan 0.000 0.414 281 I N 0.369 120.730 120.570 -0.348 0.000 2.399 281 I HA -0.300 3.870 4.170 -0.000 0.000 0.254 281 I C 2.514 178.344 176.117 -0.478 0.000 1.146 281 I CA 1.271 62.228 61.300 -0.572 0.000 1.412 281 I CB -0.316 37.206 38.000 -0.797 0.000 1.076 281 I HN 0.145 nan 8.210 nan 0.000 0.432 282 R N 0.968 121.317 120.500 -0.251 0.000 2.119 282 R HA -0.088 4.252 4.340 -0.000 0.000 0.222 282 R C 1.891 178.187 176.300 -0.005 0.000 1.088 282 R CA 0.993 57.073 56.100 -0.033 0.000 0.984 282 R CB 0.008 30.332 30.300 0.041 0.000 0.884 282 R HN 0.430 nan 8.270 nan 0.000 0.447 283 E N 0.037 120.220 120.200 -0.028 0.000 2.347 283 E HA -0.132 4.218 4.350 -0.000 0.000 0.196 283 E C 1.860 178.476 176.600 0.026 0.000 1.008 283 E CA 0.835 57.242 56.400 0.013 0.000 0.852 283 E CB 0.089 29.805 29.700 0.027 0.000 0.783 283 E HN 0.461 nan 8.360 nan 0.000 0.505 284 M N 0.147 119.740 119.600 -0.012 0.000 2.299 284 M HA 0.031 4.510 4.480 -0.000 0.000 0.264 284 M C 0.724 177.054 176.300 0.050 0.000 1.095 284 M CA 0.675 55.992 55.300 0.027 0.000 1.165 284 M CB 0.163 32.769 32.600 0.011 0.000 1.349 284 M HN -0.093 nan 8.290 nan 0.000 0.446 285 N N -0.227 118.477 118.700 0.006 0.000 2.664 285 N HA 0.232 4.972 4.740 -0.000 0.000 0.268 285 N C -2.501 173.098 175.510 0.147 0.000 1.222 285 N CA -1.363 51.736 53.050 0.081 0.000 0.805 285 N CB 1.468 40.021 38.487 0.109 0.000 1.399 285 N HN -0.273 nan 8.380 nan 0.000 0.547 286 P HA -0.173 nan 4.420 nan 0.000 0.216 286 P C -0.626 176.689 177.300 0.026 0.000 1.167 286 P CA 1.588 64.742 63.100 0.089 0.000 0.933 286 P CB 0.084 31.804 31.700 0.034 0.000 0.793 287 N N -0.298 118.388 118.700 -0.023 0.000 2.430 287 N HA 0.051 4.791 4.740 -0.000 0.000 0.265 287 N C 0.172 175.646 175.510 -0.061 0.000 1.100 287 N CA -0.054 52.914 53.050 -0.135 0.000 0.961 287 N CB 0.245 38.690 38.487 -0.070 0.000 1.075 287 N HN 0.369 nan 8.380 nan 0.000 0.478 288 Y N -0.776 119.504 120.300 -0.033 0.000 2.652 288 Y HA 0.311 4.860 4.550 -0.000 0.000 0.274 288 Y C -0.184 175.719 175.900 0.004 0.000 1.148 288 Y CA -0.580 57.497 58.100 -0.039 0.000 1.219 288 Y CB -0.048 38.325 38.460 -0.144 0.000 1.337 288 Y HN 0.322 nan 8.280 nan 0.000 0.490 289 T N 2.575 117.210 114.554 0.134 0.000 0.758 289 T HA -0.059 4.291 4.350 -0.000 0.000 0.752 289 T C -0.513 174.380 174.700 0.322 0.000 0.988 289 T CA 0.230 62.429 62.100 0.165 0.000 3.970 289 T CB -0.867 68.073 68.868 0.119 0.000 2.245 289 T HN 0.734 nan 8.240 nan 0.000 0.393 290 E N 2.730 123.096 120.200 0.277 0.000 2.408 290 E HA 0.701 5.050 4.350 -0.000 0.000 0.259 290 E C -0.273 176.455 176.600 0.213 0.000 1.110 290 E CA -0.657 55.889 56.400 0.243 0.000 0.929 290 E CB 0.482 30.282 29.700 0.167 0.000 0.971 290 E HN 0.530 nan 8.360 nan 0.000 0.438 291 F N -0.411 119.529 119.950 -0.017 0.000 2.643 291 F HA 0.554 5.081 4.527 -0.000 0.000 0.314 291 F C 0.955 176.624 175.800 -0.219 0.000 1.096 291 F CA -0.174 57.716 58.000 -0.184 0.000 0.953 291 F CB 0.752 39.520 39.000 -0.386 0.000 1.345 291 F HN 0.582 nan 8.300 nan 0.000 0.468 292 K N 2.700 122.244 120.400 -1.427 0.000 2.094 292 K HA 0.215 4.535 4.320 -0.000 0.000 0.220 292 K C 0.878 177.185 176.600 -0.487 0.000 0.919 292 K CA 2.154 57.884 56.287 -0.928 0.000 1.034 292 K CB -1.241 30.605 32.500 -1.090 0.000 0.810 292 K HN 0.914 nan 8.250 nan 0.000 0.603 293 F N -2.405 117.359 119.950 -0.310 0.000 2.246 293 F HA -0.152 4.375 4.527 -0.000 0.000 0.440 293 F C -1.528 174.253 175.800 -0.031 0.000 0.485 293 F CA 0.240 58.233 58.000 -0.011 0.000 0.890 293 F CB -2.088 36.959 39.000 0.077 0.000 3.800 293 F HN 0.504 nan 8.300 nan 0.000 0.174 294 P HA -0.057 nan 4.420 nan 0.000 0.262 294 P C -1.521 175.816 177.300 0.062 0.000 1.119 294 P CA 1.408 64.566 63.100 0.097 0.000 0.770 294 P CB 0.056 31.788 31.700 0.054 0.000 0.659 295 Q N 0.652 120.473 119.800 0.035 0.000 3.469 295 Q HA 0.103 4.443 4.340 -0.000 0.000 0.143 295 Q C -0.180 175.825 176.000 0.009 0.000 0.891 295 Q CA 0.148 55.966 55.803 0.024 0.000 1.216 295 Q CB -1.067 27.687 28.738 0.026 0.000 0.872 295 Q HN 0.610 nan 8.270 nan 0.000 0.555 296 I N 0.016 120.599 120.570 0.022 0.000 8.673 296 I HA -0.168 4.002 4.170 -0.000 0.000 0.310 296 I C -0.164 175.969 176.117 0.026 0.000 1.891 296 I CA 0.391 61.715 61.300 0.041 0.000 2.022 296 I CB -0.056 37.931 38.000 -0.023 0.000 3.871 296 I HN 0.757 nan 8.210 nan 0.000 0.195 297 K N 2.984 123.431 120.400 0.079 0.000 2.774 297 K HA 0.551 4.871 4.320 -0.000 0.000 0.283 297 K C -0.871 175.796 176.600 0.112 0.000 1.050 297 K CA -0.025 56.297 56.287 0.059 0.000 0.872 297 K CB 1.830 34.350 32.500 0.034 0.000 1.434 297 K HN 2.049 nan 8.250 nan 0.000 0.372 298 A N 2.414 125.284 122.820 0.083 0.000 1.978 298 A HA -0.196 4.124 4.320 -0.000 0.000 0.260 298 A C -1.070 176.577 177.584 0.104 0.000 1.340 298 A CA 1.231 53.315 52.037 0.078 0.000 0.740 298 A CB -1.694 17.346 19.000 0.066 0.000 1.189 298 A HN 0.639 nan 8.150 nan 0.000 0.299 299 H N 1.128 120.145 119.070 -0.090 0.000 2.495 299 H HA 0.535 5.090 4.556 -0.000 0.000 0.350 299 H C -2.177 173.097 175.328 -0.090 0.000 1.202 299 H CA -1.393 54.596 56.048 -0.099 0.000 1.322 299 H CB 0.499 30.176 29.762 -0.142 0.000 1.544 299 H HN 0.369 nan 8.280 nan 0.000 0.565 300 P HA -0.054 nan 4.420 nan 0.000 0.263 300 P C 0.116 177.483 177.300 0.111 0.000 1.247 300 P CA 0.291 63.410 63.100 0.030 0.000 0.876 300 P CB -0.052 31.633 31.700 -0.025 0.000 0.928 301 W N 2.245 123.572 121.300 0.046 0.000 2.364 301 W HA -0.178 4.482 4.660 -0.000 0.000 0.281 301 W C 1.669 178.241 176.519 0.088 0.000 1.219 301 W CA 1.080 58.458 57.345 0.056 0.000 1.220 301 W CB -0.196 29.311 29.460 0.078 0.000 1.127 301 W HN 0.233 nan 8.180 nan 0.000 0.556 302 T N -0.862 113.891 114.554 0.331 0.000 3.043 302 T HA -0.113 4.237 4.350 -0.000 0.000 0.263 302 T C 1.523 176.328 174.700 0.175 0.000 1.094 302 T CA 0.646 62.898 62.100 0.255 0.000 1.127 302 T CB -0.091 68.871 68.868 0.158 0.000 0.905 302 T HN 0.063 nan 8.240 nan 0.000 0.490 303 K N 1.621 122.083 120.400 0.104 0.000 2.505 303 K HA 0.102 4.422 4.320 -0.000 0.000 0.192 303 K C 1.267 177.862 176.600 -0.008 0.000 1.025 303 K CA 0.149 56.461 56.287 0.041 0.000 1.086 303 K CB 0.034 32.537 32.500 0.004 0.000 0.840 303 K HN 0.178 nan 8.250 nan 0.000 0.514 304 V N 0.483 120.365 119.914 -0.054 0.000 2.492 304 V HA 0.059 4.179 4.120 -0.000 0.000 0.241 304 V C 0.821 176.682 176.094 -0.387 0.000 1.041 304 V CA 0.794 62.899 62.300 -0.325 0.000 1.057 304 V CB -0.224 31.203 31.823 -0.660 0.000 0.711 304 V HN 0.052 nan 8.190 nan 0.000 0.468 305 F N 0.238 120.219 119.950 0.052 0.000 2.411 305 F HA 0.558 5.085 4.527 -0.000 0.000 0.324 305 F C 1.069 176.878 175.800 0.015 0.000 1.086 305 F CA -1.320 56.692 58.000 0.021 0.000 1.028 305 F CB 0.252 39.257 39.000 0.009 0.000 1.284 305 F HN -0.078 nan 8.300 nan 0.000 0.501 306 R N 0.815 121.446 120.500 0.218 0.000 2.873 306 R HA 0.030 4.370 4.340 -0.000 0.000 0.267 306 R C -1.972 174.394 176.300 0.109 0.000 1.009 306 R CA -0.952 55.220 56.100 0.119 0.000 1.152 306 R CB -0.647 29.708 30.300 0.092 0.000 1.047 306 R HN 0.325 nan 8.270 nan 0.000 0.470 307 P HA -0.119 nan 4.420 nan 0.000 0.216 307 P C 0.745 178.072 177.300 0.045 0.000 1.153 307 P CA 1.091 64.225 63.100 0.057 0.000 0.848 307 P CB 0.196 31.920 31.700 0.041 0.000 0.787 308 R N -0.948 119.575 120.500 0.038 0.000 2.316 308 R HA 0.075 4.414 4.340 -0.000 0.000 0.202 308 R C 0.298 176.606 176.300 0.012 0.000 1.029 308 R CA 0.566 56.681 56.100 0.024 0.000 1.018 308 R CB -1.640 28.674 30.300 0.024 0.000 0.888 308 R HN 0.228 nan 8.270 nan 0.000 0.471 309 T N 4.113 118.675 114.554 0.013 0.000 2.831 309 T HA 0.075 4.424 4.350 -0.000 0.000 0.291 309 T C -2.308 172.353 174.700 -0.065 0.000 0.981 309 T CA -0.755 61.318 62.100 -0.045 0.000 1.174 309 T CB 0.660 69.485 68.868 -0.071 0.000 0.929 309 T HN 0.002 nan 8.240 nan 0.000 0.532 310 P HA 0.084 nan 4.420 nan 0.000 0.261 310 P C -1.815 175.435 177.300 -0.082 0.000 1.183 310 P CA -1.160 61.922 63.100 -0.029 0.000 0.761 310 P CB 0.206 31.939 31.700 0.056 0.000 0.785 311 P HA -0.244 nan 4.420 nan 0.000 0.218 311 P C 1.352 178.597 177.300 -0.091 0.000 1.154 311 P CA 1.563 64.627 63.100 -0.060 0.000 0.872 311 P CB 0.007 31.692 31.700 -0.024 0.000 0.790 312 E N -0.957 119.224 120.200 -0.032 0.000 2.150 312 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 312 E C 2.046 178.508 176.600 -0.230 0.000 0.985 312 E CA 1.298 57.709 56.400 0.018 0.000 0.814 312 E CB -0.734 29.074 29.700 0.179 0.000 0.752 312 E HN 0.179 nan 8.360 nan 0.000 0.466 313 A N 1.452 124.006 122.820 -0.443 0.000 1.877 313 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 313 A C 2.306 179.407 177.584 -0.804 0.000 1.186 313 A CA 1.120 52.518 52.037 -1.064 0.000 0.620 313 A CB -0.648 17.816 19.000 -0.892 0.000 0.822 313 A HN 0.169 nan 8.150 nan 0.000 0.443 314 I N -0.204 120.003 120.570 -0.606 0.000 2.286 314 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 314 I C 2.967 178.774 176.117 -0.517 0.000 1.115 314 I CA 0.995 61.966 61.300 -0.548 0.000 1.392 314 I CB -0.553 37.280 38.000 -0.278 0.000 1.065 314 I HN 0.368 nan 8.210 nan 0.000 0.418 315 A N 1.297 123.904 122.820 -0.354 0.000 1.865 315 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 315 A C 2.422 179.802 177.584 -0.340 0.000 1.191 315 A CA 1.468 53.352 52.037 -0.254 0.000 0.623 315 A CB -0.965 18.012 19.000 -0.039 0.000 0.826 315 A HN 0.417 nan 8.150 nan 0.000 0.444 316 L N -0.449 120.454 121.223 -0.533 0.000 2.043 316 L HA -0.285 4.055 4.340 -0.000 0.000 0.212 316 L C 2.688 179.245 176.870 -0.521 0.000 1.075 316 L CA 2.122 56.508 54.840 -0.757 0.000 0.752 316 L CB -0.551 40.903 42.059 -1.009 0.000 0.891 316 L HN 0.570 nan 8.230 nan 0.000 0.432 317 C N -0.640 118.316 119.300 -0.574 0.000 2.413 317 C HA -0.170 4.290 4.460 -0.000 0.000 0.276 317 C C 2.991 177.644 174.990 -0.562 0.000 1.248 317 C CA 1.347 60.050 59.018 -0.524 0.000 1.742 317 C CB -0.876 26.510 27.740 -0.591 0.000 2.017 317 C HN 0.620 nan 8.230 nan 0.000 0.481 318 S N 0.348 115.574 115.700 -0.790 0.000 2.399 318 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 318 S C 1.817 176.311 174.600 -0.176 0.000 1.022 318 S CA 0.977 58.845 58.200 -0.554 0.000 0.983 318 S CB -0.242 62.603 63.200 -0.591 0.000 0.803 318 S HN 0.528 nan 8.310 nan 0.000 0.480 319 R N 0.360 120.742 120.500 -0.197 0.000 2.240 319 R HA 0.281 4.621 4.340 -0.000 0.000 0.203 319 R C 1.418 177.685 176.300 -0.055 0.000 1.011 319 R CA 0.270 56.319 56.100 -0.084 0.000 1.007 319 R CB -0.756 29.503 30.300 -0.068 0.000 0.911 319 R HN 0.325 nan 8.270 nan 0.000 0.468 320 L N -0.246 120.918 121.223 -0.098 0.000 2.262 320 L HA 0.175 4.515 4.340 -0.000 0.000 0.197 320 L C 0.957 177.815 176.870 -0.019 0.000 1.073 320 L CA 1.024 55.840 54.840 -0.040 0.000 0.800 320 L CB -0.607 41.418 42.059 -0.057 0.000 0.987 320 L HN -0.028 nan 8.230 nan 0.000 0.470 321 L N 1.612 122.773 121.223 -0.103 0.000 2.399 321 L HA 0.164 4.504 4.340 -0.000 0.000 0.257 321 L C -0.178 176.792 176.870 0.167 0.000 1.236 321 L CA -0.098 54.605 54.840 -0.228 0.000 1.144 321 L CB -0.403 41.484 42.059 -0.286 0.000 1.379 321 L HN 0.116 nan 8.230 nan 0.000 0.414 322 E N 0.704 121.094 120.200 0.317 0.000 2.171 322 E HA 0.150 4.500 4.350 -0.000 0.000 0.271 322 E C 0.174 176.960 176.600 0.310 0.000 0.916 322 E CA -0.599 55.963 56.400 0.270 0.000 0.774 322 E CB 1.761 31.592 29.700 0.219 0.000 1.128 322 E HN 0.283 nan 8.360 nan 0.000 0.403 323 Y N 1.512 121.980 120.300 0.279 0.000 2.053 323 Y HA -0.192 4.358 4.550 -0.000 0.000 0.277 323 Y C 1.435 177.403 175.900 0.114 0.000 1.159 323 Y CA 1.133 59.323 58.100 0.149 0.000 1.125 323 Y CB -0.033 38.476 38.460 0.082 0.000 0.969 323 Y HN 0.265 nan 8.280 nan 0.000 0.492 324 T N 3.635 118.361 114.554 0.287 0.000 2.784 324 T HA -0.019 4.331 4.350 -0.000 0.000 0.291 324 T C -1.549 173.254 174.700 0.172 0.000 0.942 324 T CA -1.014 61.195 62.100 0.182 0.000 1.161 324 T CB 0.762 69.715 68.868 0.142 0.000 0.885 324 T HN 0.185 nan 8.240 nan 0.000 0.534 325 P HA -0.138 nan 4.420 nan 0.000 0.216 325 P C 1.760 179.142 177.300 0.136 0.000 1.150 325 P CA 1.245 64.438 63.100 0.154 0.000 0.837 325 P CB -0.257 31.524 31.700 0.136 0.000 0.786 326 T N -2.718 111.900 114.554 0.107 0.000 3.007 326 T HA 0.068 4.417 4.350 -0.000 0.000 0.270 326 T C 1.782 176.537 174.700 0.091 0.000 1.107 326 T CA 0.950 63.103 62.100 0.089 0.000 1.118 326 T CB -0.899 68.010 68.868 0.069 0.000 0.889 326 T HN 0.039 nan 8.240 nan 0.000 0.506 327 A N 0.936 123.820 122.820 0.106 0.000 2.238 327 A HA 0.310 4.630 4.320 -0.000 0.000 0.208 327 A C 1.152 178.799 177.584 0.104 0.000 1.177 327 A CA -0.453 51.644 52.037 0.099 0.000 0.804 327 A CB -0.295 18.772 19.000 0.111 0.000 0.823 327 A HN 0.495 nan 8.150 nan 0.000 0.482 328 R N -0.273 120.300 120.500 0.121 0.000 2.410 328 R HA 0.391 4.731 4.340 -0.000 0.000 0.288 328 R C -0.593 175.755 176.300 0.080 0.000 1.051 328 R CA -0.927 55.244 56.100 0.119 0.000 1.021 328 R CB 0.654 31.059 30.300 0.174 0.000 1.032 328 R HN 0.188 nan 8.270 nan 0.000 0.481 329 L N 1.862 123.107 121.223 0.037 0.000 2.516 329 L HA -0.057 4.282 4.340 -0.000 0.000 0.288 329 L C 0.983 177.863 176.870 0.016 0.000 1.246 329 L CA 0.893 55.734 54.840 0.001 0.000 0.844 329 L CB 0.210 42.227 42.059 -0.070 0.000 1.106 329 L HN 0.798 nan 8.230 nan 0.000 0.509 330 T N 1.145 115.709 114.554 0.016 0.000 2.816 330 T HA 0.340 4.689 4.350 -0.000 0.000 0.282 330 T C -1.748 172.951 174.700 -0.001 0.000 0.993 330 T CA -1.319 60.814 62.100 0.055 0.000 0.994 330 T CB 0.796 69.700 68.868 0.061 0.000 1.025 330 T HN 0.539 nan 8.240 nan 0.000 0.529 331 P HA -0.078 nan 4.420 nan 0.000 0.215 331 P C 1.743 179.024 177.300 -0.031 0.000 1.153 331 P CA 0.505 63.640 63.100 0.058 0.000 0.853 331 P CB -0.047 31.737 31.700 0.140 0.000 0.788 332 L N 0.450 121.676 121.223 0.005 0.000 2.083 332 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 332 L C 2.341 179.178 176.870 -0.056 0.000 1.083 332 L CA 1.798 56.623 54.840 -0.026 0.000 0.752 332 L CB -1.463 40.584 42.059 -0.019 0.000 0.899 332 L HN -0.044 nan 8.230 nan 0.000 0.433 333 E N -1.126 119.045 120.200 -0.049 0.000 2.204 333 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 333 E C 2.173 178.752 176.600 -0.035 0.000 0.989 333 E CA 0.905 57.286 56.400 -0.033 0.000 0.824 333 E CB -0.178 29.509 29.700 -0.021 0.000 0.756 333 E HN 0.572 nan 8.360 nan 0.000 0.477 334 A N 0.778 123.491 122.820 -0.178 0.000 1.898 334 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 334 A C 2.389 179.991 177.584 0.030 0.000 1.181 334 A CA 1.042 52.879 52.037 -0.334 0.000 0.620 334 A CB -0.779 17.441 19.000 -1.300 0.000 0.819 334 A HN 0.357 nan 8.150 nan 0.000 0.442 335 C N -0.776 118.490 119.300 -0.056 0.000 2.425 335 C HA 0.068 4.528 4.460 -0.000 0.000 0.277 335 C C 2.988 178.173 174.990 0.324 0.000 1.280 335 C CA 0.733 59.736 59.018 -0.025 0.000 1.744 335 C CB -1.336 26.224 27.740 -0.301 0.000 1.989 335 C HN 0.673 nan 8.230 nan 0.000 0.491 336 A N -0.854 122.083 122.820 0.196 0.000 2.252 336 A HA 0.001 4.321 4.320 -0.000 0.000 0.207 336 A C 0.893 178.612 177.584 0.224 0.000 1.194 336 A CA 0.321 52.469 52.037 0.185 0.000 0.809 336 A CB -0.815 18.221 19.000 0.060 0.000 0.814 336 A HN 0.789 nan 8.150 nan 0.000 0.482 337 H N 0.155 119.346 119.070 0.202 0.000 2.679 337 H HA 0.188 4.744 4.556 -0.000 0.000 0.369 337 H C 1.014 176.401 175.328 0.099 0.000 1.178 337 H CA 0.716 56.824 56.048 0.100 0.000 1.419 337 H CB 1.121 30.898 29.762 0.025 0.000 1.458 337 H HN 0.219 nan 8.280 nan 0.000 0.605 338 S N 3.706 119.289 115.700 -0.195 0.000 2.400 338 S HA -0.192 4.278 4.470 -0.000 0.000 0.232 338 S C 1.817 176.497 174.600 0.133 0.000 1.025 338 S CA 0.974 59.155 58.200 -0.033 0.000 0.993 338 S CB -0.372 62.741 63.200 -0.146 0.000 0.808 338 S HN 0.663 nan 8.310 nan 0.000 0.478 339 F N 1.939 121.972 119.950 0.138 0.000 2.192 339 F HA -0.094 4.433 4.527 -0.000 0.000 0.301 339 F C 0.878 176.523 175.800 -0.258 0.000 1.079 339 F CA 0.886 58.768 58.000 -0.198 0.000 1.303 339 F CB -0.406 38.271 39.000 -0.538 0.000 1.024 339 F HN 0.127 nan 8.300 nan 0.000 0.494 340 F N 0.215 120.249 119.950 0.140 0.000 2.660 340 F HA 0.136 4.663 4.527 -0.000 0.000 0.297 340 F C 1.706 177.517 175.800 0.020 0.000 1.132 340 F CA -0.483 57.535 58.000 0.030 0.000 1.372 340 F CB -0.938 38.260 39.000 0.329 0.000 1.003 340 F HN -0.092 nan 8.300 nan 0.000 0.524 341 D N 0.434 120.887 120.400 0.088 0.000 2.144 341 D HA -0.183 4.457 4.640 -0.000 0.000 0.200 341 D C 2.195 178.510 176.300 0.026 0.000 0.978 341 D CA 0.990 55.027 54.000 0.061 0.000 0.833 341 D CB -0.053 40.757 40.800 0.016 0.000 0.961 341 D HN 0.410 nan 8.370 nan 0.000 0.470 342 E N 0.568 120.748 120.200 -0.034 0.000 2.097 342 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 342 E C 2.229 178.824 176.600 -0.009 0.000 1.000 342 E CA 0.683 57.054 56.400 -0.049 0.000 0.804 342 E CB -0.086 29.545 29.700 -0.115 0.000 0.740 342 E HN 0.244 nan 8.360 nan 0.000 0.454 343 L N -0.101 121.125 121.223 0.005 0.000 2.187 343 L HA -0.153 4.187 4.340 -0.000 0.000 0.213 343 L C 2.584 179.584 176.870 0.216 0.000 1.100 343 L CA 1.037 55.894 54.840 0.028 0.000 0.765 343 L CB -0.324 41.678 42.059 -0.094 0.000 0.904 343 L HN 0.078 nan 8.230 nan 0.000 0.437 344 R N -0.629 119.972 120.500 0.168 0.000 2.276 344 R HA 0.016 4.356 4.340 -0.000 0.000 0.196 344 R C 0.437 176.814 176.300 0.128 0.000 0.961 344 R CA -0.157 55.995 56.100 0.087 0.000 1.024 344 R CB 0.013 30.277 30.300 -0.060 0.000 0.940 344 R HN 0.263 nan 8.270 nan 0.000 0.480 345 D N 0.871 121.331 120.400 0.100 0.000 2.533 345 D HA -0.045 4.595 4.640 -0.000 0.000 0.236 345 D C -1.719 174.614 176.300 0.055 0.000 1.137 345 D CA -0.919 53.110 54.000 0.049 0.000 0.867 345 D CB 1.375 42.180 40.800 0.007 0.000 1.170 345 D HN -0.045 nan 8.370 nan 0.000 0.474 346 P HA -0.099 nan 4.420 nan 0.000 0.218 346 P C 0.838 178.055 177.300 -0.138 0.000 1.148 346 P CA 0.953 63.830 63.100 -0.371 0.000 0.822 346 P CB 0.342 31.692 31.700 -0.584 0.000 0.784 347 N N -0.739 117.910 118.700 -0.085 0.000 2.290 347 N HA -0.028 4.712 4.740 -0.000 0.000 0.179 347 N C 0.545 176.039 175.510 -0.027 0.000 1.016 347 N CA 0.152 53.170 53.050 -0.053 0.000 0.871 347 N CB -0.647 37.808 38.487 -0.054 0.000 0.987 347 N HN -0.028 nan 8.380 nan 0.000 0.431 348 V N 2.597 122.500 119.914 -0.018 0.000 3.023 348 V HA -0.213 3.907 4.120 -0.000 0.000 0.274 348 V C -0.237 175.839 176.094 -0.030 0.000 1.534 348 V CA 1.108 63.393 62.300 -0.025 0.000 1.504 348 V CB -0.050 31.769 31.823 -0.006 0.000 0.849 348 V HN 0.194 nan 8.190 nan 0.000 0.493 349 K N 5.867 126.236 120.400 -0.052 0.000 2.527 349 K HA 0.488 4.808 4.320 -0.000 0.000 0.260 349 K C -0.672 175.883 176.600 -0.076 0.000 0.937 349 K CA -0.791 55.466 56.287 -0.050 0.000 0.826 349 K CB 1.933 34.411 32.500 -0.036 0.000 1.359 349 K HN 0.636 nan 8.250 nan 0.000 0.434 350 L N 2.244 123.429 121.223 -0.063 0.000 2.483 350 L HA 0.018 4.358 4.340 -0.000 0.000 0.277 350 L C -1.123 175.701 176.870 -0.078 0.000 1.248 350 L CA -1.113 53.681 54.840 -0.076 0.000 0.825 350 L CB -0.024 42.036 42.059 0.003 0.000 1.096 350 L HN 0.362 nan 8.230 nan 0.000 0.512 351 P HA -0.119 nan 4.420 nan 0.000 0.222 351 P C 0.146 177.449 177.300 0.005 0.000 1.147 351 P CA 0.978 64.038 63.100 -0.068 0.000 0.790 351 P CB -0.070 31.584 31.700 -0.077 0.000 0.780 352 N N -1.153 117.569 118.700 0.036 0.000 2.466 352 N HA 0.182 4.922 4.740 -0.000 0.000 0.251 352 N C 1.199 176.720 175.510 0.018 0.000 1.164 352 N CA 0.161 53.236 53.050 0.040 0.000 0.888 352 N CB -1.114 37.411 38.487 0.064 0.000 1.177 352 N HN 0.056 nan 8.380 nan 0.000 0.498 353 G N -0.037 108.764 108.800 0.001 0.000 2.343 353 G HA2 -0.457 3.503 3.960 -0.000 0.000 0.264 353 G HA3 -0.457 3.503 3.960 -0.000 0.000 0.264 353 G C 0.438 175.335 174.900 -0.004 0.000 0.989 353 G CA 0.791 45.888 45.100 -0.005 0.000 0.627 353 G HN 0.718 nan 8.290 nan 0.000 0.549 354 R N 1.201 121.703 120.500 0.003 0.000 2.801 354 R HA 0.291 4.631 4.340 -0.000 0.000 0.273 354 R C 0.022 176.317 176.300 -0.009 0.000 1.080 354 R CA -0.162 55.938 56.100 0.001 0.000 1.197 354 R CB 0.146 30.453 30.300 0.011 0.000 1.109 354 R HN 0.288 nan 8.270 nan 0.000 0.535 355 D N 0.759 121.151 120.400 -0.012 0.000 2.360 355 D HA 0.018 4.658 4.640 -0.000 0.000 0.242 355 D C -0.106 176.173 176.300 -0.036 0.000 1.184 355 D CA 0.394 54.380 54.000 -0.023 0.000 0.930 355 D CB 0.981 41.768 40.800 -0.023 0.000 1.161 355 D HN 0.595 nan 8.370 nan 0.000 0.447 356 T N -1.467 113.052 114.554 -0.058 0.000 2.904 356 T HA 0.429 4.779 4.350 -0.000 0.000 0.290 356 T C -2.231 172.398 174.700 -0.118 0.000 1.018 356 T CA -1.411 60.635 62.100 -0.090 0.000 1.075 356 T CB 1.044 69.835 68.868 -0.128 0.000 0.986 356 T HN 0.042 nan 8.240 nan 0.000 0.523 357 P HA 0.357 nan 4.420 nan 0.000 0.280 357 P C -0.557 176.612 177.300 -0.220 0.000 1.278 357 P CA -0.608 62.415 63.100 -0.129 0.000 0.787 357 P CB -0.083 31.565 31.700 -0.087 0.000 1.163 358 A N 0.273 122.966 122.820 -0.211 0.000 2.450 358 A HA 0.317 4.637 4.320 -0.000 0.000 0.255 358 A C 0.451 177.815 177.584 -0.366 0.000 1.096 358 A CA 0.245 52.111 52.037 -0.284 0.000 0.778 358 A CB -0.944 17.920 19.000 -0.227 0.000 1.031 358 A HN 0.555 nan 8.150 nan 0.000 0.494 359 L N 0.804 121.667 121.223 -0.600 0.000 3.406 359 L HA 0.238 4.578 4.340 -0.000 0.000 0.309 359 L C 0.543 177.166 176.870 -0.412 0.000 1.159 359 L CA 0.289 54.778 54.840 -0.586 0.000 1.122 359 L CB 0.242 41.701 42.059 -1.001 0.000 1.633 359 L HN 0.794 nan 8.230 nan 0.000 0.607 360 F N -0.170 119.712 119.950 -0.113 0.000 2.728 360 F HA 0.183 4.710 4.527 -0.000 0.000 0.314 360 F C 1.111 176.882 175.800 -0.049 0.000 1.094 360 F CA -0.696 57.309 58.000 0.008 0.000 1.217 360 F CB 0.292 39.312 39.000 0.035 0.000 1.056 360 F HN 0.085 nan 8.300 nan 0.000 0.577 361 N N 1.861 120.511 118.700 -0.084 0.000 3.105 361 N HA -0.082 4.658 4.740 -0.000 0.000 0.309 361 N C -0.601 174.852 175.510 -0.095 0.000 1.291 361 N CA 0.137 53.150 53.050 -0.060 0.000 1.153 361 N CB -1.141 37.274 38.487 -0.120 0.000 1.447 361 N HN 0.126 nan 8.380 nan 0.000 0.555 362 F N 1.014 121.027 119.950 0.105 0.000 2.529 362 F HA 0.038 4.565 4.527 -0.000 0.000 0.365 362 F C 1.906 177.751 175.800 0.076 0.000 1.102 362 F CA -0.188 57.875 58.000 0.105 0.000 1.271 362 F CB 0.618 39.693 39.000 0.126 0.000 1.120 362 F HN 0.082 nan 8.300 nan 0.000 0.579 363 T N -0.472 114.233 114.554 0.252 0.000 2.899 363 T HA 0.164 4.513 4.350 -0.000 0.000 0.284 363 T C 1.159 175.967 174.700 0.181 0.000 1.004 363 T CA -0.604 61.599 62.100 0.171 0.000 1.043 363 T CB 1.395 70.346 68.868 0.139 0.000 1.013 363 T HN 0.629 nan 8.240 nan 0.000 0.518 364 T N 1.943 116.569 114.554 0.121 0.000 2.720 364 T HA -0.160 4.189 4.350 -0.000 0.000 0.268 364 T C 2.087 176.842 174.700 0.093 0.000 1.037 364 T CA 2.122 64.278 62.100 0.094 0.000 1.144 364 T CB -0.384 68.521 68.868 0.061 0.000 0.864 364 T HN 0.804 nan 8.240 nan 0.000 0.444 365 Q N 1.144 121.002 119.800 0.097 0.000 2.112 365 Q HA -0.162 4.178 4.340 -0.000 0.000 0.206 365 Q C 2.266 178.340 176.000 0.122 0.000 0.987 365 Q CA 1.454 57.308 55.803 0.084 0.000 0.858 365 Q CB -0.313 28.477 28.738 0.086 0.000 0.905 365 Q HN 0.558 nan 8.270 nan 0.000 0.420 366 E N 0.668 120.995 120.200 0.211 0.000 2.085 366 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 366 E C 1.780 178.498 176.600 0.196 0.000 0.994 366 E CA 1.013 57.589 56.400 0.293 0.000 0.801 366 E CB -0.021 29.964 29.700 0.475 0.000 0.743 366 E HN 0.389 nan 8.360 nan 0.000 0.453 367 L N 0.560 121.858 121.223 0.125 0.000 2.567 367 L HA 0.004 4.343 4.340 -0.000 0.000 0.225 367 L C 2.388 179.261 176.870 0.005 0.000 1.119 367 L CA 0.195 55.040 54.840 0.008 0.000 0.871 367 L CB -0.070 41.960 42.059 -0.047 0.000 1.036 367 L HN 0.108 nan 8.230 nan 0.000 0.459 368 S N -0.397 115.319 115.700 0.027 0.000 2.440 368 S HA -0.186 4.283 4.470 -0.000 0.000 0.238 368 S C 2.100 176.701 174.600 0.002 0.000 1.010 368 S CA 1.298 59.505 58.200 0.011 0.000 0.972 368 S CB -0.445 62.760 63.200 0.009 0.000 0.774 368 S HN 0.546 nan 8.310 nan 0.000 0.501 369 S N 1.040 116.745 115.700 0.008 0.000 2.515 369 S HA 0.050 4.520 4.470 -0.000 0.000 0.231 369 S C 0.707 175.307 174.600 -0.001 0.000 0.987 369 S CA 0.561 58.765 58.200 0.007 0.000 0.936 369 S CB -0.714 62.500 63.200 0.023 0.000 0.766 369 S HN 0.820 nan 8.310 nan 0.000 0.528 370 N N 0.227 118.919 118.700 -0.013 0.000 2.968 370 N HA 0.178 4.918 4.740 -0.000 0.000 0.192 370 N C -2.832 172.655 175.510 -0.038 0.000 1.357 370 N CA -0.764 52.273 53.050 -0.021 0.000 1.069 370 N CB 0.553 39.027 38.487 -0.021 0.000 1.596 370 N HN -0.096 nan 8.380 nan 0.000 0.588 371 P HA -0.187 nan 4.420 nan 0.000 0.219 371 P C -1.598 175.676 177.300 -0.042 0.000 1.161 371 P CA 1.739 64.819 63.100 -0.033 0.000 0.909 371 P CB -0.508 31.181 31.700 -0.018 0.000 0.793 372 P HA -0.182 nan 4.420 nan 0.000 0.218 372 P C 1.340 178.611 177.300 -0.047 0.000 1.150 372 P CA 1.282 64.362 63.100 -0.034 0.000 0.841 372 P CB -0.639 31.045 31.700 -0.026 0.000 0.784 373 L N -1.721 119.463 121.223 -0.064 0.000 2.265 373 L HA -0.144 4.196 4.340 -0.000 0.000 0.215 373 L C 2.421 179.223 176.870 -0.113 0.000 1.117 373 L CA 1.010 55.798 54.840 -0.086 0.000 0.782 373 L CB -1.020 40.972 42.059 -0.112 0.000 0.914 373 L HN -0.020 nan 8.230 nan 0.000 0.441 374 A N 0.483 123.236 122.820 -0.112 0.000 1.917 374 A HA -0.302 4.017 4.320 -0.000 0.000 0.219 374 A C 2.439 179.980 177.584 -0.072 0.000 1.182 374 A CA 2.515 54.488 52.037 -0.106 0.000 0.633 374 A CB -1.091 17.870 19.000 -0.064 0.000 0.819 374 A HN 0.517 nan 8.150 nan 0.000 0.448 375 T N -2.520 112.001 114.554 -0.055 0.000 3.025 375 T HA 0.024 4.374 4.350 -0.000 0.000 0.270 375 T C 1.466 176.137 174.700 -0.048 0.000 1.126 375 T CA 1.622 63.695 62.100 -0.045 0.000 1.105 375 T CB -0.405 68.443 68.868 -0.035 0.000 0.884 375 T HN 0.428 nan 8.240 nan 0.000 0.522 376 I N -0.975 119.565 120.570 -0.050 0.000 3.883 376 I HA 0.242 4.412 4.170 -0.000 0.000 0.305 376 I C 2.254 178.356 176.117 -0.025 0.000 1.247 376 I CA -0.075 61.206 61.300 -0.033 0.000 1.350 376 I CB 0.090 38.083 38.000 -0.011 0.000 1.194 376 I HN 0.141 nan 8.210 nan 0.000 0.441 377 L N 0.979 122.176 121.223 -0.044 0.000 1.976 377 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 377 L C 0.794 177.693 176.870 0.048 0.000 1.071 377 L CA 1.481 56.326 54.840 0.007 0.000 0.746 377 L CB -0.155 41.733 42.059 -0.287 0.000 0.890 377 L HN 0.120 nan 8.230 nan 0.000 0.432 378 I N 0.757 121.319 120.570 -0.014 0.000 2.308 378 I HA 0.126 4.296 4.170 -0.000 0.000 0.293 378 I C -1.955 174.021 176.117 -0.236 0.000 1.078 378 I CA -1.693 59.561 61.300 -0.076 0.000 1.292 378 I CB 0.540 38.550 38.000 0.017 0.000 1.423 378 I HN -0.089 nan 8.210 nan 0.000 0.493 379 P HA 0.036 nan 4.420 nan 0.000 0.271 379 P C -1.994 175.156 177.300 -0.250 0.000 1.233 379 P CA -0.786 62.065 63.100 -0.416 0.000 0.795 379 P CB -0.032 31.234 31.700 -0.723 0.000 0.936 380 P HA -0.158 nan 4.420 nan 0.000 0.215 380 P C 0.590 177.900 177.300 0.017 0.000 1.157 380 P CA 1.478 64.574 63.100 -0.006 0.000 0.868 380 P CB -0.521 31.207 31.700 0.047 0.000 0.788 381 H N -1.151 117.887 119.070 -0.053 0.000 3.775 381 H HA 0.552 5.108 4.556 -0.000 0.000 0.200 381 H C 0.538 175.863 175.328 -0.005 0.000 1.655 381 H CA 0.508 56.542 56.048 -0.023 0.000 1.359 381 H CB -0.652 29.103 29.762 -0.012 0.000 1.643 381 H HN 0.093 nan 8.280 nan 0.000 0.706 382 A N -0.483 122.271 122.820 -0.109 0.000 1.586 382 A HA 0.517 4.837 4.320 -0.000 0.000 0.194 382 A C 0.997 178.564 177.584 -0.028 0.000 1.991 382 A CA 0.638 52.624 52.037 -0.085 0.000 1.590 382 A CB 0.340 19.244 19.000 -0.158 0.000 1.564 382 A HN 0.893 nan 8.150 nan 0.000 0.295 383 R N 0.000 120.478 120.500 -0.037 0.000 2.786 383 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 383 R CA 0.000 nan 56.100 nan 0.000 0.921 383 R CB 0.000 nan 30.300 nan 0.000 0.687 383 R HN 0.000 nan 8.270 nan 0.000 0.535