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 1wyt_1_B DATA FIRST_RESID 2 DATA SEQUENCE SFPLIFERSR KGRRGLKLVK AVPKAEDLIP KEHLREVPPR LPEVDELTLV DATA SEQUENCE RHYTGLSRRQ VGVDTTFYPL GSCTMKYNPK LHEEAARLFA DLHPYQDPRT DATA SEQUENCE AQGALRLMWE LGEYLKALTG MDAITLEPAA GAHGELTGIL IIRAYHEDRG DATA SEQUENCE EGRTRRVVLV PDSAHGSNPA TASMAGYQVR EIPSGPEGEV DLEALKRELG DATA SEQUENCE PHVAALMLTN PNTLGLFERR ILEISRLCKE AGVQLYYDGA NLNAIMGWAR DATA SEQUENCE PGDMGFDVVH LNLHKTFTVP HGGGGPGSGP VGVKAHLAPY LPVPLVERGE DATA SEQUENCE EGFYLDFDRP KSIGRVRSFY GNFLALVRAW AYIRTLGLEG LKKAAALAVL DATA SEQUENCE NARYLKELLK EKGYRVPYDG PSMHEFVAQP PEGFRALDLA KGLLELGFHP DATA SEQUENCE PTVYFPLIVK EALMVEPTET EAKETLEAFA EAMGALLKKP KEWLENAPYS DATA SEQUENCE TPVRRLDELR ANKHPKLTYF D VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.706 174.600 0.176 0.000 1.055 2 S CA 0.000 58.262 58.200 0.103 0.000 1.107 2 S CB 0.000 63.235 63.200 0.058 0.000 0.593 3 F N 6.622 126.574 119.950 0.004 0.000 2.562 3 F HA 0.684 5.211 4.527 -0.000 0.000 0.319 3 F C -2.198 173.610 175.800 0.014 0.000 1.154 3 F CA -1.428 56.570 58.000 -0.004 0.000 0.931 3 F CB 1.718 40.703 39.000 -0.026 0.000 1.198 3 F HN 0.473 nan 8.300 nan 0.000 0.444 4 P HA 0.231 nan 4.420 nan 0.000 0.271 4 P C -0.682 176.494 177.300 -0.207 0.000 1.216 4 P CA -0.199 62.713 63.100 -0.314 0.000 0.776 4 P CB 1.307 32.810 31.700 -0.328 0.000 0.881 5 L N 2.690 123.873 121.223 -0.067 0.000 2.436 5 L HA 0.077 4.417 4.340 -0.000 0.000 0.265 5 L C 2.180 178.881 176.870 -0.282 0.000 1.168 5 L CA -0.490 54.332 54.840 -0.031 0.000 0.815 5 L CB 0.276 42.353 42.059 0.029 0.000 1.109 5 L HN 0.337 nan 8.230 nan 0.000 0.462 6 I N 0.993 121.221 120.570 -0.569 0.000 2.361 6 I HA -0.266 3.904 4.170 -0.000 0.000 0.251 6 I C 1.791 177.456 176.117 -0.753 0.000 1.133 6 I CA 1.682 62.388 61.300 -0.989 0.000 1.413 6 I CB -0.212 37.032 38.000 -1.259 0.000 1.073 6 I HN 0.481 nan 8.210 nan 0.000 0.424 7 F N 0.875 120.525 119.950 -0.499 0.000 2.293 7 F HA -0.095 4.432 4.527 -0.000 0.000 0.300 7 F C 2.373 177.901 175.800 -0.454 0.000 1.086 7 F CA 1.236 58.891 58.000 -0.575 0.000 1.375 7 F CB -0.755 37.542 39.000 -1.172 0.000 1.045 7 F HN 0.177 nan 8.300 nan 0.000 0.516 8 E N -0.161 119.887 120.200 -0.252 0.000 2.299 8 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 8 E C 2.026 178.550 176.600 -0.126 0.000 0.998 8 E CA 0.312 56.639 56.400 -0.122 0.000 0.851 8 E CB -0.105 29.553 29.700 -0.070 0.000 0.795 8 E HN 0.409 nan 8.360 nan 0.000 0.492 9 R N 1.172 121.552 120.500 -0.200 0.000 2.236 9 R HA 0.020 4.360 4.340 -0.000 0.000 0.208 9 R C 1.180 177.399 176.300 -0.135 0.000 1.036 9 R CA 0.350 56.343 56.100 -0.178 0.000 1.001 9 R CB 0.042 30.195 30.300 -0.245 0.000 0.896 9 R HN 0.026 nan 8.270 nan 0.000 0.464 10 S N 0.682 116.304 115.700 -0.129 0.000 2.601 10 S HA 0.360 4.830 4.470 -0.000 0.000 0.271 10 S C -0.007 174.577 174.600 -0.027 0.000 1.305 10 S CA -0.775 57.380 58.200 -0.075 0.000 1.022 10 S CB 1.584 64.748 63.200 -0.059 0.000 0.940 10 S HN -0.015 nan 8.310 nan 0.000 0.525 11 R N 1.202 121.694 120.500 -0.013 0.000 2.575 11 R HA 0.355 4.695 4.340 -0.000 0.000 0.293 11 R C -0.584 175.724 176.300 0.013 0.000 0.983 11 R CA -0.791 55.311 56.100 0.002 0.000 0.887 11 R CB 1.647 31.944 30.300 -0.005 0.000 1.184 11 R HN 0.884 nan 8.270 nan 0.000 0.445 12 K N 1.004 121.418 120.400 0.023 0.000 2.473 12 K HA -0.078 4.242 4.320 -0.000 0.000 0.277 12 K C 0.678 177.289 176.600 0.017 0.000 1.052 12 K CA 1.780 58.082 56.287 0.026 0.000 1.114 12 K CB -0.027 32.489 32.500 0.027 0.000 0.869 12 K HN 0.822 nan 8.250 nan 0.000 0.481 13 G N 3.452 112.263 108.800 0.018 0.000 2.199 13 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.254 13 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.254 13 G C 0.211 175.117 174.900 0.009 0.000 0.982 13 G CA 0.440 45.547 45.100 0.013 0.000 0.632 13 G HN 0.741 nan 8.290 nan 0.000 0.529 14 R N 0.760 121.264 120.500 0.007 0.000 2.537 14 R HA 0.460 4.800 4.340 -0.000 0.000 0.280 14 R C 0.259 176.561 176.300 0.002 0.000 1.058 14 R CA -0.125 55.976 56.100 0.002 0.000 1.057 14 R CB 0.326 30.623 30.300 -0.005 0.000 0.973 14 R HN 0.143 nan 8.270 nan 0.000 0.438 15 R N 2.051 122.552 120.500 0.002 0.000 2.732 15 R HA 0.407 4.747 4.340 -0.000 0.000 0.278 15 R C 0.065 176.366 176.300 0.002 0.000 0.976 15 R CA -0.401 55.701 56.100 0.004 0.000 0.963 15 R CB 1.858 32.162 30.300 0.006 0.000 1.150 15 R HN 0.933 nan 8.270 nan 0.000 0.478 16 G N 1.107 109.910 108.800 0.004 0.000 2.887 16 G HA2 0.280 4.240 3.960 -0.000 0.000 0.210 16 G HA3 0.280 4.240 3.960 -0.000 0.000 0.210 16 G C -0.233 174.672 174.900 0.008 0.000 1.964 16 G CA -0.470 44.633 45.100 0.006 0.000 0.738 16 G HN 0.296 nan 8.290 nan 0.000 0.790 17 L N 1.012 122.240 121.223 0.008 0.000 2.426 17 L HA 0.329 4.669 4.340 -0.000 0.000 0.271 17 L C -0.252 176.622 176.870 0.007 0.000 1.169 17 L CA 0.280 55.124 54.840 0.007 0.000 0.836 17 L CB 0.834 42.897 42.059 0.006 0.000 1.112 17 L HN 0.272 nan 8.230 nan 0.000 0.465 18 K N 4.481 124.885 120.400 0.006 0.000 2.621 18 K HA 0.334 4.654 4.320 -0.000 0.000 0.233 18 K C 0.094 176.697 176.600 0.005 0.000 0.972 18 K CA -0.225 56.065 56.287 0.006 0.000 0.988 18 K CB 1.221 33.724 32.500 0.006 0.000 1.187 18 K HN 0.523 nan 8.250 nan 0.000 0.471 19 L N 1.374 122.600 121.223 0.006 0.000 2.607 19 L HA 0.201 4.541 4.340 -0.000 0.000 0.228 19 L C -0.020 176.853 176.870 0.005 0.000 1.123 19 L CA -0.106 54.737 54.840 0.005 0.000 0.890 19 L CB 0.618 42.679 42.059 0.005 0.000 1.103 19 L HN 0.171 nan 8.230 nan 0.000 0.468 20 V N -0.134 119.784 119.914 0.006 0.000 2.444 20 V HA 0.200 4.320 4.120 -0.000 0.000 0.294 20 V C 0.684 176.781 176.094 0.005 0.000 1.022 20 V CA -0.638 61.665 62.300 0.005 0.000 0.850 20 V CB 2.039 33.865 31.823 0.006 0.000 0.992 20 V HN 0.017 nan 8.190 nan 0.000 0.426 21 K N 4.533 124.936 120.400 0.005 0.000 1.980 21 K HA 0.205 4.525 4.320 -0.000 0.000 0.208 21 K C 0.890 177.493 176.600 0.004 0.000 1.043 21 K CA 1.565 57.855 56.287 0.004 0.000 0.938 21 K CB -0.003 32.499 32.500 0.004 0.000 0.724 21 K HN 0.812 nan 8.250 nan 0.000 0.438 22 A N 1.407 124.229 122.820 0.004 0.000 2.508 22 A HA 0.373 4.693 4.320 -0.000 0.000 0.336 22 A C -1.030 176.557 177.584 0.005 0.000 1.360 22 A CA -0.636 51.404 52.037 0.005 0.000 0.841 22 A CB 0.631 19.633 19.000 0.004 0.000 1.136 22 A HN 0.130 nan 8.150 nan 0.000 0.489 23 V N 5.476 125.394 119.914 0.006 0.000 2.529 23 V HA 0.326 4.446 4.120 -0.000 0.000 0.292 23 V C -1.393 174.705 176.094 0.006 0.000 1.028 23 V CA -1.075 61.229 62.300 0.006 0.000 1.074 23 V CB 0.608 32.435 31.823 0.007 0.000 0.958 23 V HN 0.852 nan 8.190 nan 0.000 0.481 24 P HA 0.360 nan 4.420 nan 0.000 0.278 24 P C -1.192 176.113 177.300 0.008 0.000 1.266 24 P CA -0.774 62.330 63.100 0.007 0.000 0.807 24 P CB 0.807 32.511 31.700 0.007 0.000 1.094 25 K N 0.262 120.667 120.400 0.008 0.000 2.227 25 K HA 0.383 4.702 4.320 -0.000 0.000 0.280 25 K C 1.067 177.674 176.600 0.011 0.000 1.041 25 K CA -0.285 56.007 56.287 0.009 0.000 0.905 25 K CB 1.252 33.756 32.500 0.008 0.000 1.068 25 K HN 0.520 nan 8.250 nan 0.000 0.470 26 A N 4.307 127.134 122.820 0.012 0.000 1.859 26 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 26 A C 1.653 179.248 177.584 0.018 0.000 1.198 26 A CA 2.283 54.329 52.037 0.016 0.000 0.629 26 A CB -0.644 18.366 19.000 0.017 0.000 0.830 26 A HN 0.902 nan 8.150 nan 0.000 0.446 27 E N -0.743 119.467 120.200 0.016 0.000 2.339 27 E HA -0.260 4.090 4.350 -0.000 0.000 0.201 27 E C 0.390 177.000 176.600 0.016 0.000 1.015 27 E CA 1.533 57.943 56.400 0.017 0.000 0.841 27 E CB -0.422 29.285 29.700 0.012 0.000 0.754 27 E HN 0.562 nan 8.360 nan 0.000 0.508 28 D N -0.113 120.295 120.400 0.014 0.000 2.339 28 D HA 0.142 4.782 4.640 -0.000 0.000 0.217 28 D C 1.523 177.831 176.300 0.013 0.000 1.050 28 D CA 0.358 54.365 54.000 0.012 0.000 0.856 28 D CB 0.533 41.339 40.800 0.009 0.000 0.922 28 D HN 0.335 nan 8.370 nan 0.000 0.518 29 L N -0.768 120.464 121.223 0.015 0.000 2.854 29 L HA 0.331 4.671 4.340 -0.000 0.000 0.249 29 L C 0.368 177.248 176.870 0.017 0.000 1.091 29 L CA 0.226 55.073 54.840 0.013 0.000 0.935 29 L CB 1.202 43.267 42.059 0.010 0.000 1.367 29 L HN -0.215 nan 8.230 nan 0.000 0.524 30 I N 1.635 122.221 120.570 0.027 0.000 2.533 30 I HA 0.320 4.490 4.170 -0.000 0.000 0.290 30 I C -2.392 173.764 176.117 0.065 0.000 1.056 30 I CA -1.896 59.431 61.300 0.044 0.000 1.057 30 I CB 2.507 40.534 38.000 0.044 0.000 1.240 30 I HN -0.209 nan 8.210 nan 0.000 0.423 31 P HA 0.033 nan 4.420 nan 0.000 0.267 31 P C 0.267 177.607 177.300 0.068 0.000 1.205 31 P CA -0.233 62.919 63.100 0.087 0.000 0.765 31 P CB 1.268 33.041 31.700 0.123 0.000 0.828 32 K N 3.788 124.205 120.400 0.027 0.000 2.090 32 K HA -0.274 4.046 4.320 -0.000 0.000 0.218 32 K C 1.824 178.415 176.600 -0.015 0.000 1.055 32 K CA 2.474 58.765 56.287 0.007 0.000 0.941 32 K CB -0.651 31.846 32.500 -0.005 0.000 0.722 32 K HN 0.543 nan 8.250 nan 0.000 0.458 33 E N -1.354 118.806 120.200 -0.068 0.000 2.401 33 E HA -0.205 4.145 4.350 -0.000 0.000 0.199 33 E C 0.960 177.438 176.600 -0.202 0.000 1.023 33 E CA 0.799 57.109 56.400 -0.151 0.000 0.859 33 E CB 0.030 29.594 29.700 -0.227 0.000 0.780 33 E HN 0.497 nan 8.360 nan 0.000 0.523 34 H N -0.784 118.286 119.070 0.001 0.000 2.586 34 H HA 0.189 4.745 4.556 -0.000 0.000 0.273 34 H C 0.154 175.483 175.328 0.002 0.000 0.997 34 H CA 0.027 56.077 56.048 0.002 0.000 1.177 34 H CB 0.349 30.113 29.762 0.003 0.000 1.471 34 H HN 0.111 nan 8.280 nan 0.000 0.538 35 L N 1.755 123.035 121.223 0.096 0.000 2.349 35 L HA 0.210 4.550 4.340 -0.000 0.000 0.275 35 L C 1.050 177.942 176.870 0.037 0.000 1.115 35 L CA -0.379 54.496 54.840 0.059 0.000 0.820 35 L CB 1.213 43.296 42.059 0.040 0.000 1.135 35 L HN -0.075 nan 8.230 nan 0.000 0.445 36 R N 1.710 122.229 120.500 0.032 0.000 2.484 36 R HA -0.066 4.274 4.340 -0.000 0.000 0.293 36 R C 0.804 177.110 176.300 0.010 0.000 1.023 36 R CA 0.099 56.211 56.100 0.019 0.000 1.037 36 R CB 0.626 30.936 30.300 0.017 0.000 0.951 36 R HN 0.631 nan 8.270 nan 0.000 0.418 37 E N 2.891 123.093 120.200 0.003 0.000 2.021 37 E HA -0.005 4.345 4.350 -0.000 0.000 0.189 37 E C -0.346 176.250 176.600 -0.007 0.000 0.980 37 E CA 0.911 57.309 56.400 -0.003 0.000 0.803 37 E CB 0.387 30.083 29.700 -0.008 0.000 0.766 37 E HN 0.400 nan 8.360 nan 0.000 0.449 38 V N 2.732 122.638 119.914 -0.013 0.000 2.398 38 V HA 0.329 4.449 4.120 -0.000 0.000 0.286 38 V C -2.292 173.790 176.094 -0.021 0.000 1.026 38 V CA -1.875 60.412 62.300 -0.022 0.000 0.868 38 V CB 1.282 33.083 31.823 -0.036 0.000 0.982 38 V HN 0.174 nan 8.190 nan 0.000 0.443 39 P HA 0.206 nan 4.420 nan 0.000 0.269 39 P C -2.472 174.816 177.300 -0.021 0.000 1.209 39 P CA -0.917 62.178 63.100 -0.009 0.000 0.776 39 P CB -0.083 31.617 31.700 -0.001 0.000 0.876 40 P HA 0.142 nan 4.420 nan 0.000 0.271 40 P C -0.487 176.816 177.300 0.005 0.000 1.216 40 P CA -0.088 63.008 63.100 -0.006 0.000 0.776 40 P CB 0.784 32.500 31.700 0.028 0.000 0.881 41 R N 2.186 122.658 120.500 -0.045 0.000 3.688 41 R HA 0.220 4.560 4.340 -0.000 0.000 0.194 41 R C -0.014 176.438 176.300 0.253 0.000 1.677 41 R CA -0.528 55.577 56.100 0.008 0.000 1.351 41 R CB -0.545 29.547 30.300 -0.348 0.000 1.338 41 R HN 0.372 nan 8.270 nan 0.000 0.731 42 L N 2.683 124.037 121.223 0.219 0.000 2.399 42 L HA 0.396 4.736 4.340 -0.000 0.000 0.265 42 L C -1.654 175.353 176.870 0.228 0.000 1.089 42 L CA -2.406 52.592 54.840 0.263 0.000 0.802 42 L CB 0.388 42.531 42.059 0.140 0.000 1.180 42 L HN 0.283 nan 8.230 nan 0.000 0.454 43 P HA 0.120 nan 4.420 nan 0.000 0.271 43 P C -1.238 176.053 177.300 -0.015 0.000 1.218 43 P CA -0.296 62.781 63.100 -0.038 0.000 0.780 43 P CB 0.548 32.056 31.700 -0.321 0.000 0.901 44 E N 0.887 121.076 120.200 -0.019 0.000 2.489 44 E HA 0.356 4.706 4.350 -0.000 0.000 0.232 44 E C -0.520 176.058 176.600 -0.035 0.000 0.990 44 E CA -0.651 55.743 56.400 -0.010 0.000 0.768 44 E CB 1.150 30.858 29.700 0.014 0.000 1.270 44 E HN 0.289 nan 8.360 nan 0.000 0.423 45 V N -0.414 119.473 119.914 -0.044 0.000 2.876 45 V HA 0.472 4.592 4.120 -0.000 0.000 0.312 45 V C -0.127 175.954 176.094 -0.022 0.000 1.085 45 V CA -1.195 61.075 62.300 -0.049 0.000 0.945 45 V CB 2.080 33.849 31.823 -0.090 0.000 1.017 45 V HN 0.440 nan 8.190 nan 0.000 0.428 46 D N 1.356 121.746 120.400 -0.016 0.000 2.384 46 D HA 0.072 4.712 4.640 -0.000 0.000 0.244 46 D C 0.663 176.968 176.300 0.009 0.000 1.251 46 D CA -0.031 53.968 54.000 -0.002 0.000 0.961 46 D CB 1.860 42.659 40.800 -0.001 0.000 1.116 46 D HN 0.820 nan 8.370 nan 0.000 0.484 47 E N -0.461 119.749 120.200 0.016 0.000 2.072 47 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 47 E C 2.097 178.720 176.600 0.039 0.000 0.985 47 E CA 0.318 56.735 56.400 0.029 0.000 0.801 47 E CB 0.005 29.719 29.700 0.024 0.000 0.750 47 E HN 0.488 nan 8.360 nan 0.000 0.452 48 L N 0.578 121.819 121.223 0.029 0.000 2.012 48 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 48 L C 2.341 179.235 176.870 0.039 0.000 1.073 48 L CA 1.748 56.607 54.840 0.032 0.000 0.748 48 L CB -0.473 41.599 42.059 0.021 0.000 0.891 48 L HN 0.273 nan 8.230 nan 0.000 0.431 49 T N 0.271 114.839 114.554 0.024 0.000 2.720 49 T HA -0.244 4.106 4.350 -0.000 0.000 0.268 49 T C 1.741 176.473 174.700 0.052 0.000 1.037 49 T CA 1.669 63.778 62.100 0.014 0.000 1.144 49 T CB -0.301 68.551 68.868 -0.025 0.000 0.864 49 T HN 0.244 nan 8.240 nan 0.000 0.444 50 L N 1.191 122.457 121.223 0.072 0.000 2.012 50 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 50 L C 2.408 179.433 176.870 0.258 0.000 1.073 50 L CA 1.568 56.508 54.840 0.167 0.000 0.748 50 L CB -0.574 41.576 42.059 0.152 0.000 0.891 50 L HN 0.078 nan 8.230 nan 0.000 0.431 51 V N -0.146 119.867 119.914 0.166 0.000 2.358 51 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 51 V C 2.784 178.966 176.094 0.146 0.000 1.047 51 V CA 1.683 64.075 62.300 0.154 0.000 1.035 51 V CB -0.828 31.051 31.823 0.092 0.000 0.658 51 V HN 0.432 nan 8.190 nan 0.000 0.452 52 R N -0.427 120.142 120.500 0.115 0.000 2.081 52 R HA -0.178 4.162 4.340 -0.000 0.000 0.235 52 R C 2.249 178.632 176.300 0.138 0.000 1.131 52 R CA 1.981 58.143 56.100 0.102 0.000 0.960 52 R CB -0.849 29.489 30.300 0.064 0.000 0.856 52 R HN 0.685 nan 8.270 nan 0.000 0.436 53 H N -0.085 118.997 119.070 0.020 0.000 2.270 53 H HA -0.145 4.411 4.556 -0.000 0.000 0.299 53 H C 1.657 176.978 175.328 -0.012 0.000 1.077 53 H CA 2.008 58.031 56.048 -0.042 0.000 1.294 53 H CB -0.328 29.258 29.762 -0.294 0.000 1.371 53 H HN 0.134 nan 8.280 nan 0.000 0.491 54 Y N -0.210 120.124 120.300 0.056 0.000 2.314 54 Y HA -0.109 4.441 4.550 -0.000 0.000 0.293 54 Y C 2.861 178.738 175.900 -0.038 0.000 1.129 54 Y CA 1.486 59.571 58.100 -0.025 0.000 1.201 54 Y CB -0.517 37.973 38.460 0.051 0.000 0.999 54 Y HN 0.255 nan 8.280 nan 0.000 0.541 55 T N -0.771 113.865 114.554 0.137 0.000 2.708 55 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 55 T C 2.313 177.017 174.700 0.006 0.000 1.037 55 T CA 1.459 63.602 62.100 0.072 0.000 1.146 55 T CB -0.921 67.992 68.868 0.075 0.000 0.865 55 T HN 0.564 nan 8.240 nan 0.000 0.435 56 G N 1.288 110.103 108.800 0.025 0.000 2.442 56 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.219 56 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.219 56 G C 1.498 176.131 174.900 -0.444 0.000 1.141 56 G CA 0.482 45.554 45.100 -0.046 0.000 0.763 56 G HN 0.436 nan 8.290 nan 0.000 0.554 57 L N 1.389 122.348 121.223 -0.441 0.000 2.093 57 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 57 L C 3.308 180.026 176.870 -0.253 0.000 1.085 57 L CA 1.416 55.956 54.840 -0.499 0.000 0.755 57 L CB -0.362 41.498 42.059 -0.333 0.000 0.904 57 L HN 0.453 nan 8.230 nan 0.000 0.435 58 S N -0.097 115.529 115.700 -0.123 0.000 2.402 58 S HA -0.191 4.279 4.470 -0.000 0.000 0.229 58 S C 1.981 176.536 174.600 -0.074 0.000 1.021 58 S CA 0.711 58.878 58.200 -0.055 0.000 0.974 58 S CB -0.329 62.869 63.200 -0.003 0.000 0.800 58 S HN 0.368 nan 8.310 nan 0.000 0.484 59 R N 0.672 121.105 120.500 -0.111 0.000 2.323 59 R HA 0.250 4.590 4.340 -0.000 0.000 0.198 59 R C 1.258 177.481 176.300 -0.129 0.000 0.988 59 R CA 0.469 56.512 56.100 -0.095 0.000 1.041 59 R CB -0.023 30.229 30.300 -0.079 0.000 0.926 59 R HN 0.376 nan 8.270 nan 0.000 0.476 60 R N -0.017 120.367 120.500 -0.193 0.000 2.696 60 R HA 0.141 4.481 4.340 -0.000 0.000 0.355 60 R C -0.498 175.735 176.300 -0.111 0.000 1.138 60 R CA -0.146 55.840 56.100 -0.189 0.000 1.059 60 R CB 0.614 30.711 30.300 -0.338 0.000 1.380 60 R HN -0.070 nan 8.270 nan 0.000 0.578 61 Q N 0.442 120.204 119.800 -0.064 0.000 2.418 61 Q HA 0.424 4.764 4.340 -0.000 0.000 0.282 61 Q C -1.421 174.596 176.000 0.028 0.000 1.044 61 Q CA -0.839 54.959 55.803 -0.009 0.000 0.813 61 Q CB 2.279 31.013 28.738 -0.007 0.000 1.428 61 Q HN 0.043 nan 8.270 nan 0.000 0.402 62 V N -0.394 119.569 119.914 0.081 0.000 2.960 62 V HA 1.116 5.236 4.120 -0.000 0.000 0.315 62 V C -0.159 176.065 176.094 0.217 0.000 1.087 62 V CA 0.050 62.423 62.300 0.122 0.000 0.982 62 V CB 1.529 33.415 31.823 0.106 0.000 1.039 62 V HN 0.873 nan 8.190 nan 0.000 0.437 63 G N 0.209 109.151 108.800 0.236 0.000 2.721 63 G HA2 0.500 4.460 3.960 -0.000 0.000 0.296 63 G HA3 0.500 4.460 3.960 -0.000 0.000 0.296 63 G C 0.063 175.111 174.900 0.246 0.000 1.383 63 G CA 0.064 45.293 45.100 0.215 0.000 0.788 63 G HN 0.902 nan 8.290 nan 0.000 0.500 64 V N 0.264 120.237 119.914 0.098 0.000 2.469 64 V HA -0.105 4.015 4.120 -0.000 0.000 0.251 64 V C 2.344 178.535 176.094 0.163 0.000 1.064 64 V CA 2.332 64.720 62.300 0.148 0.000 1.066 64 V CB -0.454 31.409 31.823 0.067 0.000 0.667 64 V HN 0.635 nan 8.190 nan 0.000 0.461 65 D N 0.145 120.625 120.400 0.133 0.000 2.309 65 D HA -0.104 4.536 4.640 -0.000 0.000 0.212 65 D C 2.136 178.488 176.300 0.087 0.000 0.968 65 D CA 1.772 55.842 54.000 0.117 0.000 0.882 65 D CB 0.020 40.880 40.800 0.099 0.000 0.918 65 D HN 0.693 nan 8.370 nan 0.000 0.503 66 T N -5.327 109.285 114.554 0.098 0.000 2.966 66 T HA 0.195 4.545 4.350 -0.000 0.000 0.254 66 T C 0.626 175.367 174.700 0.068 0.000 0.961 66 T CA -0.133 62.008 62.100 0.067 0.000 0.915 66 T CB 0.763 69.662 68.868 0.052 0.000 1.186 66 T HN -0.146 nan 8.240 nan 0.000 0.505 67 T N 1.821 116.447 114.554 0.120 0.000 2.900 67 T HA 0.555 4.905 4.350 -0.000 0.000 0.303 67 T C -1.716 173.116 174.700 0.220 0.000 1.142 67 T CA -0.681 61.487 62.100 0.113 0.000 1.007 67 T CB 1.834 70.717 68.868 0.025 0.000 1.156 67 T HN 0.157 nan 8.240 nan 0.000 0.490 68 F N 2.732 122.723 119.950 0.068 0.000 2.506 68 F HA 0.379 4.906 4.527 -0.000 0.000 0.371 68 F C -0.813 174.994 175.800 0.013 0.000 1.078 68 F CA -1.190 56.857 58.000 0.079 0.000 1.195 68 F CB 0.010 39.099 39.000 0.149 0.000 1.099 68 F HN 0.545 nan 8.300 nan 0.000 0.548 69 Y N 8.174 128.231 120.300 -0.406 0.000 2.836 69 Y HA 0.318 4.868 4.550 -0.000 0.000 0.359 69 Y C -1.836 173.634 175.900 -0.716 0.000 1.060 69 Y CA -2.475 55.309 58.100 -0.527 0.000 1.161 69 Y CB 0.428 38.654 38.460 -0.391 0.000 1.225 69 Y HN 0.415 nan 8.280 nan 0.000 0.621 70 P HA -0.052 nan 4.420 nan 0.000 0.277 70 P C -0.192 176.883 177.300 -0.374 0.000 1.617 70 P CA 0.085 62.699 63.100 -0.810 0.000 0.829 70 P CB -0.061 30.917 31.700 -1.204 0.000 1.774 71 L N 1.180 122.271 121.223 -0.219 0.000 2.600 71 L HA 0.210 4.550 4.340 -0.000 0.000 0.278 71 L C 1.373 178.181 176.870 -0.103 0.000 1.139 71 L CA 0.149 54.923 54.840 -0.109 0.000 0.933 71 L CB -0.649 41.365 42.059 -0.076 0.000 1.266 71 L HN 0.072 nan 8.230 nan 0.000 0.471 72 G N 3.092 111.836 108.800 -0.093 0.000 2.353 72 G HA2 0.286 4.246 3.960 -0.000 0.000 0.239 72 G HA3 0.286 4.246 3.960 -0.000 0.000 0.239 72 G C 0.764 175.677 174.900 0.023 0.000 1.295 72 G CA 0.343 45.400 45.100 -0.072 0.000 0.884 72 G HN 1.378 nan 8.290 nan 0.000 0.537 73 S N -0.932 114.793 115.700 0.042 0.000 3.476 73 S HA -0.279 4.191 4.470 -0.000 0.000 0.309 73 S C 1.018 175.647 174.600 0.049 0.000 1.222 73 S CA 1.222 59.483 58.200 0.102 0.000 0.922 73 S CB -2.050 61.251 63.200 0.167 0.000 1.023 73 S HN 1.094 nan 8.310 nan 0.000 0.591 74 C N 0.062 119.376 119.300 0.024 0.000 3.730 74 C HA 0.431 4.891 4.460 -0.000 0.000 0.397 74 C C 1.148 176.182 174.990 0.072 0.000 1.468 74 C CA 0.418 59.455 59.018 0.032 0.000 1.931 74 C CB -0.528 27.174 27.740 -0.064 0.000 2.773 74 C HN 1.018 nan 8.230 nan 0.000 0.692 75 T N 2.790 117.360 114.554 0.026 0.000 3.177 75 T HA -0.163 4.186 4.350 -0.000 0.000 0.439 75 T C 0.058 174.778 174.700 0.034 0.000 0.771 75 T CA 0.645 62.765 62.100 0.033 0.000 2.254 75 T CB -0.796 68.082 68.868 0.017 0.000 1.667 75 T HN 0.387 nan 8.240 nan 0.000 0.619 76 M N 2.214 121.764 119.600 -0.083 0.000 3.596 76 M HA 0.113 4.593 4.480 -0.000 0.000 0.219 76 M C 0.988 177.276 176.300 -0.020 0.000 1.471 76 M CA 0.359 55.558 55.300 -0.169 0.000 1.644 76 M CB -0.830 31.573 32.600 -0.327 0.000 1.083 76 M HN 0.521 nan 8.290 nan 0.000 0.579 77 K N -0.161 120.260 120.400 0.036 0.000 2.090 77 K HA 0.259 4.579 4.320 -0.000 0.000 0.250 77 K C -0.261 176.390 176.600 0.085 0.000 1.004 77 K CA -0.788 55.538 56.287 0.065 0.000 0.919 77 K CB 0.854 33.372 32.500 0.030 0.000 1.045 77 K HN 0.129 nan 8.250 nan 0.000 0.471 78 Y N 1.843 122.145 120.300 0.004 0.000 2.712 78 Y HA -0.044 4.506 4.550 -0.000 0.000 0.333 78 Y C -0.974 174.897 175.900 -0.049 0.000 1.225 78 Y CA 0.009 58.105 58.100 -0.008 0.000 1.499 78 Y CB 0.057 38.519 38.460 0.004 0.000 1.288 78 Y HN 0.644 nan 8.280 nan 0.000 0.575 79 N N 8.180 126.507 118.700 -0.621 0.000 2.589 79 N HA 0.256 4.996 4.740 -0.000 0.000 0.232 79 N C -2.878 171.968 175.510 -1.106 0.000 1.015 79 N CA -1.553 51.114 53.050 -0.638 0.000 0.931 79 N CB 0.570 38.898 38.487 -0.266 0.000 1.150 79 N HN 0.409 nan 8.380 nan 0.000 0.512 80 P HA -0.061 nan 4.420 nan 0.000 0.260 80 P C 0.219 177.227 177.300 -0.486 0.000 1.172 80 P CA -0.073 62.461 63.100 -0.944 0.000 0.760 80 P CB 1.078 32.315 31.700 -0.771 0.000 0.773 81 K N 2.534 122.831 120.400 -0.172 0.000 2.280 81 K HA -0.116 4.204 4.320 -0.000 0.000 0.202 81 K C 1.745 178.340 176.600 -0.009 0.000 1.047 81 K CA 0.798 57.064 56.287 -0.035 0.000 0.942 81 K CB -1.053 31.484 32.500 0.063 0.000 0.739 81 K HN 0.344 nan 8.250 nan 0.000 0.457 82 L N 0.382 121.589 121.223 -0.026 0.000 2.079 82 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 82 L C 1.638 178.614 176.870 0.178 0.000 1.081 82 L CA 1.921 56.804 54.840 0.072 0.000 0.752 82 L CB -0.433 41.681 42.059 0.091 0.000 0.896 82 L HN 0.390 nan 8.230 nan 0.000 0.433 83 H N -1.241 117.843 119.070 0.024 0.000 2.457 83 H HA -0.067 4.489 4.556 -0.000 0.000 0.294 83 H C 1.661 176.997 175.328 0.014 0.000 1.064 83 H CA 0.699 56.761 56.048 0.023 0.000 1.330 83 H CB 0.286 30.038 29.762 -0.016 0.000 1.395 83 H HN 0.418 nan 8.280 nan 0.000 0.541 84 E N 0.828 121.100 120.200 0.121 0.000 2.158 84 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 84 E C 1.987 178.631 176.600 0.072 0.000 0.982 84 E CA 0.590 57.032 56.400 0.070 0.000 0.823 84 E CB 0.074 29.797 29.700 0.037 0.000 0.766 84 E HN 0.463 nan 8.360 nan 0.000 0.468 85 E N 1.019 121.269 120.200 0.084 0.000 2.107 85 E HA -0.024 4.326 4.350 -0.000 0.000 0.191 85 E C 1.881 178.540 176.600 0.097 0.000 0.982 85 E CA 1.143 57.589 56.400 0.077 0.000 0.809 85 E CB -0.186 29.560 29.700 0.077 0.000 0.756 85 E HN 0.183 nan 8.360 nan 0.000 0.459 86 A N 0.741 123.641 122.820 0.134 0.000 1.902 86 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 86 A C 2.411 180.108 177.584 0.188 0.000 1.181 86 A CA 2.015 54.154 52.037 0.169 0.000 0.623 86 A CB -0.990 18.113 19.000 0.173 0.000 0.818 86 A HN 0.349 nan 8.150 nan 0.000 0.443 87 A N 0.897 123.788 122.820 0.118 0.000 1.902 87 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 87 A C 2.192 179.862 177.584 0.142 0.000 1.181 87 A CA 1.691 53.787 52.037 0.099 0.000 0.623 87 A CB -0.580 18.441 19.000 0.034 0.000 0.818 87 A HN 0.711 nan 8.150 nan 0.000 0.443 88 R N -0.893 119.663 120.500 0.094 0.000 2.285 88 R HA 0.018 4.358 4.340 -0.000 0.000 0.213 88 R C 1.170 177.490 176.300 0.033 0.000 1.068 88 R CA 1.053 57.189 56.100 0.061 0.000 1.004 88 R CB -0.552 29.767 30.300 0.033 0.000 0.873 88 R HN 0.331 nan 8.270 nan 0.000 0.467 89 L N 0.223 121.461 121.223 0.025 0.000 2.376 89 L HA 0.058 4.397 4.340 -0.000 0.000 0.219 89 L C 0.798 177.417 176.870 -0.420 0.000 1.133 89 L CA 1.377 56.096 54.840 -0.201 0.000 0.816 89 L CB -0.251 41.642 42.059 -0.277 0.000 0.933 89 L HN 0.121 nan 8.230 nan 0.000 0.449 90 F N -2.226 117.752 119.950 0.047 0.000 2.698 90 F HA 0.365 4.892 4.527 -0.000 0.000 0.304 90 F C 1.796 177.654 175.800 0.098 0.000 1.108 90 F CA 0.191 58.259 58.000 0.113 0.000 1.263 90 F CB -0.736 38.451 39.000 0.312 0.000 1.013 90 F HN -0.069 nan 8.300 nan 0.000 0.532 91 A N -0.770 122.143 122.820 0.156 0.000 1.933 91 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 91 A C 1.351 178.958 177.584 0.040 0.000 1.175 91 A CA 1.372 53.463 52.037 0.090 0.000 0.628 91 A CB -0.329 18.698 19.000 0.045 0.000 0.814 91 A HN 0.139 nan 8.150 nan 0.000 0.444 92 D N 0.420 120.832 120.400 0.020 0.000 3.057 92 D HA 0.400 5.040 4.640 -0.000 0.000 0.246 92 D C -0.860 175.442 176.300 0.004 0.000 1.238 92 D CA 0.340 54.341 54.000 0.002 0.000 0.949 92 D CB -0.000 40.794 40.800 -0.009 0.000 1.086 92 D HN 0.282 nan 8.370 nan 0.000 0.487 93 L N 0.438 121.658 121.223 -0.005 0.000 2.401 93 L HA 0.296 4.636 4.340 -0.000 0.000 0.266 93 L C -0.163 176.673 176.870 -0.057 0.000 0.991 93 L CA -0.845 53.983 54.840 -0.020 0.000 0.818 93 L CB 3.047 45.075 42.059 -0.053 0.000 1.321 93 L HN 0.108 nan 8.230 nan 0.000 0.413 94 H N 4.538 123.545 119.070 -0.105 0.000 2.459 94 H HA 0.306 4.862 4.556 -0.000 0.000 0.332 94 H C -1.968 173.268 175.328 -0.153 0.000 1.094 94 H CA -1.834 54.126 56.048 -0.146 0.000 1.224 94 H CB 2.634 32.352 29.762 -0.073 0.000 1.449 94 H HN 0.359 nan 8.280 nan 0.000 0.484 95 P HA -0.158 nan 4.420 nan 0.000 0.219 95 P C 0.300 177.752 177.300 0.253 0.000 1.146 95 P CA 1.184 64.192 63.100 -0.154 0.000 0.808 95 P CB 0.217 31.403 31.700 -0.856 0.000 0.779 96 Y N 0.372 120.957 120.300 0.476 0.000 2.493 96 Y HA 0.172 4.722 4.550 -0.000 0.000 0.275 96 Y C 1.604 177.586 175.900 0.136 0.000 1.183 96 Y CA -1.218 57.068 58.100 0.309 0.000 1.258 96 Y CB -1.040 37.580 38.460 0.267 0.000 1.108 96 Y HN 0.201 nan 8.280 nan 0.000 0.521 97 Q N -0.297 119.657 119.800 0.257 0.000 2.382 97 Q HA 0.095 4.435 4.340 -0.000 0.000 0.229 97 Q C -0.388 175.680 176.000 0.114 0.000 1.006 97 Q CA -0.760 55.111 55.803 0.113 0.000 0.916 97 Q CB 0.729 29.515 28.738 0.080 0.000 1.235 97 Q HN 0.090 nan 8.270 nan 0.000 0.512 98 D N 2.371 122.811 120.400 0.067 0.000 2.502 98 D HA -0.025 4.615 4.640 -0.000 0.000 0.249 98 D C -1.385 174.955 176.300 0.067 0.000 1.188 98 D CA -1.560 52.477 54.000 0.061 0.000 0.890 98 D CB 0.951 41.772 40.800 0.035 0.000 1.140 98 D HN 0.372 nan 8.370 nan 0.000 0.505 99 P HA -0.213 nan 4.420 nan 0.000 0.220 99 P C 1.224 178.561 177.300 0.063 0.000 1.144 99 P CA 0.836 63.980 63.100 0.074 0.000 0.800 99 P CB 0.167 31.922 31.700 0.093 0.000 0.772 100 R N 0.739 121.270 120.500 0.053 0.000 2.280 100 R HA -0.033 4.307 4.340 -0.000 0.000 0.207 100 R C 1.438 177.762 176.300 0.040 0.000 1.043 100 R CA 1.529 57.655 56.100 0.043 0.000 1.006 100 R CB -0.350 29.966 30.300 0.027 0.000 0.885 100 R HN 0.228 nan 8.270 nan 0.000 0.467 101 T N -4.451 110.125 114.554 0.038 0.000 3.129 101 T HA 0.363 4.713 4.350 -0.000 0.000 0.267 101 T C 0.571 175.288 174.700 0.030 0.000 1.018 101 T CA 0.084 62.202 62.100 0.030 0.000 0.903 101 T CB 1.293 70.175 68.868 0.023 0.000 1.067 101 T HN 0.116 nan 8.240 nan 0.000 0.549 102 A N 0.567 123.406 122.820 0.033 0.000 2.616 102 A HA 0.380 4.700 4.320 -0.000 0.000 0.294 102 A C 1.810 179.407 177.584 0.020 0.000 1.091 102 A CA -0.410 51.636 52.037 0.015 0.000 0.971 102 A CB 0.056 19.047 19.000 -0.014 0.000 1.222 102 A HN 0.227 nan 8.150 nan 0.000 0.521 103 Q N 0.024 119.859 119.800 0.058 0.000 2.181 103 Q HA -0.156 4.183 4.340 -0.000 0.000 0.205 103 Q C 1.991 178.011 176.000 0.035 0.000 0.980 103 Q CA 1.818 57.681 55.803 0.099 0.000 0.862 103 Q CB -0.422 28.407 28.738 0.152 0.000 0.905 103 Q HN 0.686 nan 8.270 nan 0.000 0.429 104 G N 0.637 109.468 108.800 0.051 0.000 2.402 104 G HA2 -0.149 3.810 3.960 -0.000 0.000 0.216 104 G HA3 -0.149 3.810 3.960 -0.000 0.000 0.216 104 G C 1.558 176.478 174.900 0.034 0.000 1.162 104 G CA 1.101 46.241 45.100 0.067 0.000 0.777 104 G HN 0.460 nan 8.290 nan 0.000 0.539 105 A N 0.508 123.369 122.820 0.068 0.000 1.873 105 A HA 0.160 4.480 4.320 -0.000 0.000 0.215 105 A C 2.433 179.959 177.584 -0.098 0.000 1.186 105 A CA 1.118 53.161 52.037 0.009 0.000 0.616 105 A CB -0.413 18.451 19.000 -0.227 0.000 0.823 105 A HN 0.332 nan 8.150 nan 0.000 0.442 106 L N -1.021 120.105 121.223 -0.161 0.000 2.083 106 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 106 L C 2.809 179.394 176.870 -0.474 0.000 1.083 106 L CA 1.720 56.431 54.840 -0.215 0.000 0.752 106 L CB -0.448 41.549 42.059 -0.103 0.000 0.899 106 L HN 0.497 nan 8.230 nan 0.000 0.433 107 R N 0.660 120.733 120.500 -0.712 0.000 2.081 107 R HA -0.196 4.144 4.340 -0.000 0.000 0.235 107 R C 2.383 178.397 176.300 -0.477 0.000 1.131 107 R CA 1.352 56.760 56.100 -1.152 0.000 0.960 107 R CB -0.253 29.621 30.300 -0.710 0.000 0.856 107 R HN 0.309 nan 8.270 nan 0.000 0.436 108 L N 0.392 121.389 121.223 -0.378 0.000 2.046 108 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 108 L C 2.314 179.000 176.870 -0.306 0.000 1.077 108 L CA 1.494 56.045 54.840 -0.483 0.000 0.747 108 L CB -0.106 41.478 42.059 -0.792 0.000 0.896 108 L HN 0.321 nan 8.230 nan 0.000 0.432 109 M N -1.802 117.679 119.600 -0.198 0.000 2.117 109 M HA -0.263 4.217 4.480 -0.000 0.000 0.262 109 M C 2.084 178.309 176.300 -0.126 0.000 1.065 109 M CA 2.171 57.402 55.300 -0.116 0.000 1.114 109 M CB -0.647 31.936 32.600 -0.028 0.000 1.361 109 M HN 0.485 nan 8.290 nan 0.000 0.408 110 W N 1.782 122.901 121.300 -0.303 0.000 2.358 110 W HA -0.158 4.502 4.660 -0.000 0.000 0.303 110 W C 2.050 178.414 176.519 -0.259 0.000 1.208 110 W CA 1.669 58.867 57.345 -0.244 0.000 1.274 110 W CB -0.106 29.217 29.460 -0.229 0.000 1.138 110 W HN 0.190 nan 8.180 nan 0.000 0.515 111 E N -0.139 119.947 120.200 -0.191 0.000 2.072 111 E HA -0.252 4.098 4.350 -0.000 0.000 0.191 111 E C 2.025 177.951 176.600 -1.124 0.000 0.985 111 E CA 1.400 57.459 56.400 -0.568 0.000 0.801 111 E CB -0.711 28.961 29.700 -0.046 0.000 0.750 111 E HN 0.233 nan 8.360 nan 0.000 0.452 112 L N 1.038 121.981 121.223 -0.467 0.000 2.083 112 L HA -0.062 4.278 4.340 -0.000 0.000 0.209 112 L C 2.146 178.775 176.870 -0.403 0.000 1.083 112 L CA 2.106 56.770 54.840 -0.292 0.000 0.752 112 L CB -0.858 41.165 42.059 -0.059 0.000 0.899 112 L HN 0.083 nan 8.230 nan 0.000 0.433 113 G N -1.029 107.503 108.800 -0.447 0.000 2.446 113 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 113 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 113 G C 1.412 176.021 174.900 -0.485 0.000 1.168 113 G CA 0.688 45.534 45.100 -0.423 0.000 0.771 113 G HN 0.433 nan 8.290 nan 0.000 0.551 114 E N 0.288 120.047 120.200 -0.735 0.000 2.077 114 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 114 E C 2.310 178.740 176.600 -0.284 0.000 0.989 114 E CA 0.889 56.923 56.400 -0.610 0.000 0.800 114 E CB -0.410 28.787 29.700 -0.840 0.000 0.746 114 E HN 0.559 nan 8.360 nan 0.000 0.452 115 Y N 0.901 121.051 120.300 -0.250 0.000 2.114 115 Y HA -0.104 4.446 4.550 -0.000 0.000 0.284 115 Y C 2.560 178.356 175.900 -0.173 0.000 1.143 115 Y CA 0.460 58.444 58.100 -0.193 0.000 1.135 115 Y CB -1.173 37.169 38.460 -0.197 0.000 0.980 115 Y HN -0.033 nan 8.280 nan 0.000 0.499 116 L N -0.116 121.070 121.223 -0.062 0.000 2.083 116 L HA -0.237 4.103 4.340 -0.000 0.000 0.209 116 L C 2.335 179.152 176.870 -0.089 0.000 1.083 116 L CA 1.508 56.277 54.840 -0.118 0.000 0.752 116 L CB -0.535 41.398 42.059 -0.209 0.000 0.899 116 L HN 0.197 nan 8.230 nan 0.000 0.433 117 K N 0.001 120.330 120.400 -0.118 0.000 2.097 117 K HA -0.104 4.216 4.320 -0.000 0.000 0.205 117 K C 2.239 178.798 176.600 -0.069 0.000 1.050 117 K CA 1.271 57.496 56.287 -0.104 0.000 0.938 117 K CB -0.188 32.228 32.500 -0.141 0.000 0.718 117 K HN 0.272 nan 8.250 nan 0.000 0.442 118 A N 1.177 123.964 122.820 -0.054 0.000 1.969 118 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 118 A C 2.026 179.594 177.584 -0.027 0.000 1.169 118 A CA 1.115 53.132 52.037 -0.034 0.000 0.635 118 A CB -0.423 18.567 19.000 -0.017 0.000 0.810 118 A HN 0.150 nan 8.150 nan 0.000 0.445 119 L N -1.547 119.669 121.223 -0.012 0.000 2.313 119 L HA -0.040 4.300 4.340 -0.000 0.000 0.214 119 L C 2.571 179.436 176.870 -0.007 0.000 1.119 119 L CA 1.523 56.367 54.840 0.006 0.000 0.809 119 L CB -0.123 41.978 42.059 0.070 0.000 0.933 119 L HN 0.438 nan 8.230 nan 0.000 0.449 120 T N -1.563 112.974 114.554 -0.028 0.000 3.014 120 T HA 0.153 4.503 4.350 -0.000 0.000 0.250 120 T C 1.286 175.945 174.700 -0.068 0.000 1.060 120 T CA 0.715 62.778 62.100 -0.063 0.000 1.040 120 T CB 0.129 68.957 68.868 -0.066 0.000 0.971 120 T HN 0.500 nan 8.240 nan 0.000 0.497 121 G N 1.989 110.760 108.800 -0.048 0.000 2.160 121 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.251 121 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.251 121 G C 0.078 174.956 174.900 -0.037 0.000 1.008 121 G CA 0.392 45.470 45.100 -0.036 0.000 0.724 121 G HN 0.433 nan 8.290 nan 0.000 0.514 122 M N -0.032 119.538 119.600 -0.051 0.000 2.368 122 M HA 0.394 4.874 4.480 -0.000 0.000 0.311 122 M C 0.972 177.239 176.300 -0.054 0.000 1.168 122 M CA -0.548 54.720 55.300 -0.054 0.000 1.044 122 M CB 0.792 33.351 32.600 -0.068 0.000 1.506 122 M HN 0.016 nan 8.290 nan 0.000 0.475 123 D N 0.242 120.612 120.400 -0.051 0.000 2.324 123 D HA 0.284 4.924 4.640 -0.000 0.000 0.212 123 D C 0.169 176.434 176.300 -0.058 0.000 0.984 123 D CA 0.631 54.605 54.000 -0.044 0.000 0.885 123 D CB 0.650 41.434 40.800 -0.027 0.000 0.996 123 D HN 0.583 nan 8.370 nan 0.000 0.505 124 A N 0.170 122.948 122.820 -0.070 0.000 2.532 124 A HA 0.774 5.094 4.320 -0.000 0.000 0.290 124 A C -1.292 176.241 177.584 -0.086 0.000 1.143 124 A CA -0.573 51.418 52.037 -0.076 0.000 0.728 124 A CB 2.173 21.134 19.000 -0.064 0.000 1.317 124 A HN 0.088 nan 8.150 nan 0.000 0.414 125 I N -0.516 119.999 120.570 -0.091 0.000 2.908 125 I HA 0.573 4.743 4.170 -0.000 0.000 0.300 125 I C -1.021 175.049 176.117 -0.078 0.000 1.385 125 I CA -0.082 61.165 61.300 -0.088 0.000 1.004 125 I CB 2.376 40.306 38.000 -0.116 0.000 1.309 125 I HN 0.760 nan 8.210 nan 0.000 0.449 126 T N 6.168 120.689 114.554 -0.056 0.000 2.829 126 T HA 0.580 4.930 4.350 -0.000 0.000 0.280 126 T C 0.016 174.699 174.700 -0.028 0.000 0.999 126 T CA -0.462 61.614 62.100 -0.039 0.000 0.983 126 T CB 1.044 69.901 68.868 -0.019 0.000 0.968 126 T HN 0.526 nan 8.240 nan 0.000 0.446 127 L N 3.778 124.990 121.223 -0.019 0.000 2.910 127 L HA 0.416 4.756 4.340 -0.000 0.000 0.252 127 L C 2.030 178.927 176.870 0.045 0.000 1.195 127 L CA -0.134 54.703 54.840 -0.006 0.000 1.003 127 L CB 0.123 42.164 42.059 -0.030 0.000 1.328 127 L HN 0.711 nan 8.230 nan 0.000 0.540 128 E N 1.699 121.935 120.200 0.060 0.000 2.086 128 E HA 0.027 4.377 4.350 -0.000 0.000 0.190 128 E C -1.430 175.249 176.600 0.132 0.000 0.975 128 E CA -0.107 56.353 56.400 0.101 0.000 0.813 128 E CB -0.186 29.572 29.700 0.096 0.000 0.768 128 E HN 0.208 nan 8.360 nan 0.000 0.457 129 P HA -0.003 nan 4.420 nan 0.000 0.267 129 P C -0.596 176.877 177.300 0.288 0.000 1.200 129 P CA 0.274 63.537 63.100 0.272 0.000 0.772 129 P CB 1.279 33.032 31.700 0.088 0.000 0.855 130 A N 2.960 126.010 122.820 0.384 0.000 2.296 130 A HA 0.556 4.876 4.320 -0.000 0.000 0.276 130 A C 0.852 178.503 177.584 0.112 0.000 1.356 130 A CA 0.209 52.287 52.037 0.068 0.000 0.825 130 A CB -0.669 18.206 19.000 -0.209 0.000 1.308 130 A HN 0.641 nan 8.150 nan 0.000 0.515 131 A N -2.105 120.697 122.820 -0.029 0.000 2.372 131 A HA 0.587 4.907 4.320 -0.000 0.000 0.271 131 A C 1.565 179.200 177.584 0.084 0.000 1.470 131 A CA 0.707 52.713 52.037 -0.053 0.000 0.827 131 A CB -1.225 17.518 19.000 -0.429 0.000 1.405 131 A HN 2.796 nan 8.150 nan 0.000 0.536 132 G N -1.599 107.257 108.800 0.094 0.000 2.614 132 G HA2 0.071 4.031 3.960 -0.000 0.000 0.303 132 G HA3 0.071 4.031 3.960 -0.000 0.000 0.303 132 G C 1.115 176.124 174.900 0.181 0.000 1.270 132 G CA 1.544 46.710 45.100 0.109 0.000 0.988 132 G HN 2.111 nan 8.290 nan 0.000 0.551 133 A N -0.990 121.903 122.820 0.122 0.000 2.238 133 A HA 0.273 4.593 4.320 -0.000 0.000 0.208 133 A C 1.684 179.309 177.584 0.067 0.000 1.177 133 A CA 1.503 53.599 52.037 0.098 0.000 0.804 133 A CB -0.520 18.509 19.000 0.049 0.000 0.823 133 A HN 0.799 nan 8.150 nan 0.000 0.482 134 H N 0.132 119.204 119.070 0.003 0.000 2.289 134 H HA -0.186 4.370 4.556 -0.000 0.000 0.296 134 H C 2.268 177.545 175.328 -0.084 0.000 1.091 134 H CA 1.759 57.794 56.048 -0.021 0.000 1.274 134 H CB -0.033 29.733 29.762 0.007 0.000 1.364 134 H HN 0.504 nan 8.280 nan 0.000 0.490 135 G N -0.085 108.644 108.800 -0.120 0.000 2.422 135 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 135 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 135 G C 1.588 176.098 174.900 -0.650 0.000 1.140 135 G CA 0.654 45.538 45.100 -0.360 0.000 0.775 135 G HN 0.501 nan 8.290 nan 0.000 0.545 136 E N -0.366 119.358 120.200 -0.793 0.000 2.051 136 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 136 E C 2.357 178.864 176.600 -0.155 0.000 0.991 136 E CA 0.853 57.044 56.400 -0.350 0.000 0.799 136 E CB -0.177 29.449 29.700 -0.123 0.000 0.748 136 E HN 0.305 nan 8.360 nan 0.000 0.449 137 L N 0.775 121.908 121.223 -0.151 0.000 2.046 137 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 137 L C 2.243 179.056 176.870 -0.094 0.000 1.077 137 L CA 2.102 56.882 54.840 -0.101 0.000 0.747 137 L CB -0.851 41.151 42.059 -0.094 0.000 0.896 137 L HN 0.115 nan 8.230 nan 0.000 0.432 138 T N -0.470 113.990 114.554 -0.156 0.000 2.684 138 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 138 T C 1.695 176.389 174.700 -0.011 0.000 1.036 138 T CA 1.431 63.465 62.100 -0.109 0.000 1.148 138 T CB -1.009 67.767 68.868 -0.152 0.000 0.863 138 T HN 0.607 nan 8.240 nan 0.000 0.436 139 G N 1.555 110.377 108.800 0.037 0.000 2.422 139 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.218 139 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.218 139 G C 1.464 176.468 174.900 0.173 0.000 1.146 139 G CA 0.386 45.589 45.100 0.171 0.000 0.769 139 G HN 0.366 nan 8.290 nan 0.000 0.547 140 I N 0.441 121.066 120.570 0.091 0.000 2.179 140 I HA -0.057 4.113 4.170 -0.000 0.000 0.242 140 I C 2.691 178.883 176.117 0.124 0.000 1.088 140 I CA 0.697 62.034 61.300 0.063 0.000 1.357 140 I CB -1.053 36.951 38.000 0.007 0.000 1.051 140 I HN 0.059 nan 8.210 nan 0.000 0.409 141 L N 0.489 121.759 121.223 0.078 0.000 2.127 141 L HA -0.159 4.181 4.340 -0.000 0.000 0.211 141 L C 2.454 179.364 176.870 0.066 0.000 1.089 141 L CA 1.616 56.496 54.840 0.067 0.000 0.757 141 L CB -0.777 41.299 42.059 0.029 0.000 0.899 141 L HN 0.162 nan 8.230 nan 0.000 0.434 142 I N -1.307 119.305 120.570 0.070 0.000 2.252 142 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 142 I C 2.308 178.430 176.117 0.009 0.000 1.102 142 I CA 1.180 62.520 61.300 0.067 0.000 1.385 142 I CB -0.161 37.891 38.000 0.086 0.000 1.064 142 I HN 0.164 nan 8.210 nan 0.000 0.414 143 I N 0.286 120.892 120.570 0.060 0.000 2.315 143 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 143 I C 2.753 178.956 176.117 0.143 0.000 1.117 143 I CA 1.151 62.489 61.300 0.064 0.000 1.404 143 I CB -0.358 37.709 38.000 0.112 0.000 1.071 143 I HN 0.182 nan 8.210 nan 0.000 0.419 144 R N 1.071 121.698 120.500 0.211 0.000 2.075 144 R HA -0.131 4.209 4.340 -0.000 0.000 0.232 144 R C 2.398 178.729 176.300 0.051 0.000 1.126 144 R CA 1.391 57.642 56.100 0.252 0.000 0.963 144 R CB -0.180 30.225 30.300 0.176 0.000 0.858 144 R HN 0.333 nan 8.270 nan 0.000 0.435 145 A N 0.196 122.966 122.820 -0.083 0.000 1.902 145 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 145 A C 1.955 179.208 177.584 -0.551 0.000 1.181 145 A CA 1.373 53.256 52.037 -0.257 0.000 0.623 145 A CB -0.889 17.963 19.000 -0.246 0.000 0.818 145 A HN 0.592 nan 8.150 nan 0.000 0.443 146 Y N 0.556 120.342 120.300 -0.856 0.000 2.049 146 Y HA -0.309 4.241 4.550 -0.000 0.000 0.277 146 Y C 2.568 178.274 175.900 -0.323 0.000 1.143 146 Y CA 2.357 59.992 58.100 -0.775 0.000 1.115 146 Y CB -0.695 37.454 38.460 -0.517 0.000 0.975 146 Y HN 0.492 nan 8.280 nan 0.000 0.487 147 H N -0.142 118.816 119.070 -0.188 0.000 2.319 147 H HA -0.160 4.396 4.556 -0.000 0.000 0.299 147 H C 2.231 177.461 175.328 -0.165 0.000 1.092 147 H CA 1.892 57.818 56.048 -0.204 0.000 1.302 147 H CB -0.501 29.266 29.762 0.009 0.000 1.373 147 H HN 0.500 nan 8.280 nan 0.000 0.497 148 E N 0.262 120.470 120.200 0.012 0.000 2.118 148 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 148 E C 1.893 178.471 176.600 -0.037 0.000 0.992 148 E CA 1.369 57.763 56.400 -0.011 0.000 0.804 148 E CB 0.041 29.732 29.700 -0.015 0.000 0.741 148 E HN 0.323 nan 8.360 nan 0.000 0.458 149 D N -0.415 119.936 120.400 -0.081 0.000 2.183 149 D HA -0.075 4.565 4.640 -0.000 0.000 0.203 149 D C 1.277 177.552 176.300 -0.041 0.000 0.969 149 D CA 0.830 54.819 54.000 -0.019 0.000 0.842 149 D CB 0.168 41.012 40.800 0.074 0.000 0.957 149 D HN 0.037 nan 8.370 nan 0.000 0.484 150 R N -0.985 119.435 120.500 -0.134 0.000 2.313 150 R HA 0.248 4.588 4.340 -0.000 0.000 0.199 150 R C 1.338 177.603 176.300 -0.059 0.000 0.958 150 R CA 0.575 56.600 56.100 -0.125 0.000 1.047 150 R CB 0.308 30.449 30.300 -0.264 0.000 0.955 150 R HN 0.199 nan 8.270 nan 0.000 0.481 151 G N 1.559 110.336 108.800 -0.037 0.000 2.143 151 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.249 151 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.249 151 G C 0.329 175.225 174.900 -0.008 0.000 0.981 151 G CA 0.217 45.309 45.100 -0.014 0.000 0.665 151 G HN 0.489 nan 8.290 nan 0.000 0.528 152 E N -0.089 120.108 120.200 -0.004 0.000 2.558 152 E HA 0.320 4.670 4.350 -0.000 0.000 0.205 152 E C 2.208 178.812 176.600 0.006 0.000 1.006 152 E CA 0.161 56.561 56.400 0.001 0.000 0.961 152 E CB 0.304 30.005 29.700 0.000 0.000 1.044 152 E HN 0.396 nan 8.360 nan 0.000 0.465 153 G N 1.765 110.578 108.800 0.021 0.000 2.442 153 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.219 153 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.219 153 G C 1.647 176.550 174.900 0.005 0.000 1.141 153 G CA 0.402 45.519 45.100 0.028 0.000 0.763 153 G HN 0.147 nan 8.290 nan 0.000 0.554 154 R N -0.166 120.333 120.500 -0.001 0.000 2.240 154 R HA 0.055 4.395 4.340 -0.000 0.000 0.203 154 R C 2.636 178.940 176.300 0.006 0.000 1.011 154 R CA 1.389 57.487 56.100 -0.004 0.000 1.007 154 R CB -0.007 30.290 30.300 -0.004 0.000 0.911 154 R HN 0.534 nan 8.270 nan 0.000 0.468 155 T N -1.921 112.636 114.554 0.005 0.000 3.042 155 T HA 0.134 4.484 4.350 -0.000 0.000 0.245 155 T C 1.114 175.824 174.700 0.017 0.000 1.029 155 T CA -0.210 61.899 62.100 0.016 0.000 1.120 155 T CB 0.216 69.090 68.868 0.010 0.000 0.917 155 T HN -0.125 nan 8.240 nan 0.000 0.467 156 R N 2.626 123.103 120.500 -0.039 0.000 2.878 156 R HA 0.277 4.617 4.340 -0.000 0.000 0.239 156 R C 0.402 176.760 176.300 0.097 0.000 1.515 156 R CA -0.032 56.004 56.100 -0.106 0.000 1.210 156 R CB -0.158 29.880 30.300 -0.436 0.000 1.209 156 R HN 0.388 nan 8.270 nan 0.000 0.610 157 R N 0.230 120.808 120.500 0.130 0.000 2.437 157 R HA 0.217 4.557 4.340 -0.000 0.000 0.257 157 R C 0.149 176.623 176.300 0.291 0.000 0.927 157 R CA -0.056 56.183 56.100 0.233 0.000 1.078 157 R CB 0.854 31.227 30.300 0.122 0.000 1.161 157 R HN 0.043 nan 8.270 nan 0.000 0.529 158 V N 1.329 121.313 119.914 0.116 0.000 2.555 158 V HA 0.410 4.530 4.120 -0.000 0.000 0.302 158 V C -0.179 175.813 176.094 -0.170 0.000 1.038 158 V CA -0.880 61.431 62.300 0.018 0.000 0.887 158 V CB 2.761 34.597 31.823 0.022 0.000 0.991 158 V HN -0.247 nan 8.190 nan 0.000 0.434 159 V N 5.716 125.537 119.914 -0.155 0.000 2.495 159 V HA 0.513 4.633 4.120 -0.000 0.000 0.298 159 V C -0.364 175.668 176.094 -0.103 0.000 1.031 159 V CA -0.527 61.640 62.300 -0.222 0.000 0.871 159 V CB 1.861 33.517 31.823 -0.278 0.000 0.988 159 V HN 0.626 nan 8.190 nan 0.000 0.432 160 L N 5.813 126.982 121.223 -0.090 0.000 2.309 160 L HA 0.810 5.150 4.340 -0.000 0.000 0.282 160 L C -0.418 176.440 176.870 -0.019 0.000 1.036 160 L CA -0.781 54.034 54.840 -0.041 0.000 0.806 160 L CB 1.801 43.838 42.059 -0.037 0.000 1.220 160 L HN 0.584 nan 8.230 nan 0.000 0.429 161 V N 1.055 120.969 119.914 0.000 0.000 2.876 161 V HA 0.704 4.824 4.120 -0.000 0.000 0.312 161 V C -2.676 173.431 176.094 0.023 0.000 1.085 161 V CA -2.118 60.192 62.300 0.017 0.000 0.945 161 V CB 1.960 33.795 31.823 0.021 0.000 1.017 161 V HN 0.517 nan 8.190 nan 0.000 0.428 162 P HA 0.256 nan 4.420 nan 0.000 0.276 162 P C -0.217 177.090 177.300 0.013 0.000 1.244 162 P CA 0.128 63.236 63.100 0.014 0.000 0.801 162 P CB 0.993 32.699 31.700 0.009 0.000 1.006 163 D N -0.405 119.994 120.400 -0.001 0.000 2.263 163 D HA -0.160 4.480 4.640 -0.000 0.000 0.208 163 D C 1.420 177.713 176.300 -0.011 0.000 0.971 163 D CA 1.470 55.470 54.000 0.000 0.000 0.867 163 D CB -0.897 39.901 40.800 -0.003 0.000 0.929 163 D HN 0.331 nan 8.370 nan 0.000 0.492 164 S N -0.707 114.971 115.700 -0.037 0.000 2.558 164 S HA 0.394 4.864 4.470 -0.000 0.000 0.217 164 S C 1.220 175.815 174.600 -0.007 0.000 0.975 164 S CA -0.204 57.949 58.200 -0.080 0.000 0.912 164 S CB -0.392 62.727 63.200 -0.134 0.000 0.776 164 S HN 0.467 nan 8.310 nan 0.000 0.526 165 A N 2.628 125.486 122.820 0.063 0.000 2.536 165 A HA 0.143 4.463 4.320 -0.000 0.000 0.234 165 A C 0.413 178.170 177.584 0.289 0.000 1.076 165 A CA 0.068 52.197 52.037 0.154 0.000 0.769 165 A CB -0.292 18.776 19.000 0.113 0.000 1.020 165 A HN 0.605 nan 8.150 nan 0.000 0.508 166 H N 0.763 120.005 119.070 0.287 0.000 2.582 166 H HA 0.229 4.785 4.556 -0.000 0.000 0.345 166 H C 1.649 177.046 175.328 0.114 0.000 1.104 166 H CA 0.696 56.905 56.048 0.268 0.000 1.390 166 H CB 1.182 30.981 29.762 0.063 0.000 1.461 166 H HN 0.692 nan 8.280 nan 0.000 0.551 167 G N 2.841 111.688 108.800 0.078 0.000 2.532 167 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.222 167 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.222 167 G C 1.740 176.756 174.900 0.193 0.000 1.102 167 G CA 1.033 46.209 45.100 0.126 0.000 0.742 167 G HN 0.603 nan 8.290 nan 0.000 0.577 168 S N 0.333 116.240 115.700 0.344 0.000 2.359 168 S HA -0.166 4.304 4.470 -0.000 0.000 0.224 168 S C 2.230 176.875 174.600 0.075 0.000 1.035 168 S CA 1.755 60.038 58.200 0.139 0.000 1.018 168 S CB -0.478 62.721 63.200 -0.002 0.000 0.876 168 S HN 0.686 nan 8.310 nan 0.000 0.448 169 N N 1.497 120.248 118.700 0.085 0.000 2.007 169 N HA -0.115 4.625 4.740 -0.000 0.000 0.197 169 N C -1.030 174.473 175.510 -0.012 0.000 1.050 169 N CA 1.823 54.879 53.050 0.010 0.000 0.856 169 N CB -0.969 37.538 38.487 0.032 0.000 1.050 169 N HN 0.487 nan 8.380 nan 0.000 0.423 170 P HA -0.067 nan 4.420 nan 0.000 0.219 170 P C 0.936 178.253 177.300 0.028 0.000 1.150 170 P CA 1.348 64.460 63.100 0.021 0.000 0.814 170 P CB 0.042 31.764 31.700 0.036 0.000 0.787 171 A N 0.168 123.010 122.820 0.037 0.000 1.902 171 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 171 A C 2.339 179.939 177.584 0.026 0.000 1.181 171 A CA 2.479 54.538 52.037 0.036 0.000 0.623 171 A CB -1.877 17.150 19.000 0.044 0.000 0.818 171 A HN 0.205 nan 8.150 nan 0.000 0.443 172 T N 0.161 114.722 114.554 0.011 0.000 2.770 172 T HA 0.065 4.415 4.350 -0.000 0.000 0.263 172 T C 2.272 176.981 174.700 0.015 0.000 1.039 172 T CA 1.440 63.539 62.100 -0.002 0.000 1.142 172 T CB -0.474 68.371 68.868 -0.040 0.000 0.868 172 T HN 0.586 nan 8.240 nan 0.000 0.435 173 A N 1.258 124.084 122.820 0.011 0.000 1.877 173 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 173 A C 2.574 180.247 177.584 0.149 0.000 1.186 173 A CA 2.152 54.241 52.037 0.087 0.000 0.620 173 A CB -1.181 17.826 19.000 0.011 0.000 0.822 173 A HN 0.444 nan 8.150 nan 0.000 0.443 174 S N -1.167 114.585 115.700 0.086 0.000 2.400 174 S HA -0.172 4.298 4.470 -0.000 0.000 0.232 174 S C 2.019 176.646 174.600 0.044 0.000 1.025 174 S CA 1.703 59.946 58.200 0.071 0.000 0.993 174 S CB -0.411 62.819 63.200 0.049 0.000 0.808 174 S HN 0.563 nan 8.310 nan 0.000 0.478 175 M N 0.629 120.251 119.600 0.036 0.000 2.319 175 M HA 0.079 4.559 4.480 -0.000 0.000 0.265 175 M C 1.575 177.878 176.300 0.004 0.000 1.068 175 M CA 1.270 56.581 55.300 0.018 0.000 1.118 175 M CB -0.403 32.208 32.600 0.018 0.000 1.395 175 M HN 0.430 nan 8.290 nan 0.000 0.435 176 A N -0.266 122.565 122.820 0.018 0.000 2.302 176 A HA 0.401 4.721 4.320 -0.000 0.000 0.219 176 A C 1.359 178.849 177.584 -0.157 0.000 1.243 176 A CA 0.613 52.636 52.037 -0.023 0.000 0.856 176 A CB -0.946 18.093 19.000 0.066 0.000 0.893 176 A HN 0.749 nan 8.150 nan 0.000 0.491 177 G N -2.162 106.571 108.800 -0.111 0.000 2.143 177 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.249 177 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.249 177 G C -0.091 174.687 174.900 -0.203 0.000 0.981 177 G CA 0.372 45.370 45.100 -0.170 0.000 0.665 177 G HN 0.412 nan 8.290 nan 0.000 0.528 178 Y N 0.561 120.859 120.300 -0.004 0.000 2.335 178 Y HA 0.585 5.135 4.550 -0.000 0.000 0.323 178 Y C 1.031 176.930 175.900 -0.000 0.000 1.224 178 Y CA -0.517 57.580 58.100 -0.004 0.000 1.241 178 Y CB 0.940 39.394 38.460 -0.010 0.000 1.235 178 Y HN 0.219 nan 8.280 nan 0.000 0.492 179 Q N 1.472 121.400 119.800 0.212 0.000 2.278 179 Q HA 0.481 4.821 4.340 -0.000 0.000 0.257 179 Q C -1.188 174.870 176.000 0.098 0.000 0.928 179 Q CA -0.739 55.135 55.803 0.119 0.000 0.932 179 Q CB 1.669 30.466 28.738 0.098 0.000 1.221 179 Q HN 0.365 nan 8.270 nan 0.000 0.434 180 V N 3.405 123.359 119.914 0.068 0.000 2.407 180 V HA 0.383 4.502 4.120 -0.000 0.000 0.278 180 V C -0.160 175.955 176.094 0.036 0.000 1.037 180 V CA -0.619 61.705 62.300 0.039 0.000 0.900 180 V CB 1.300 33.142 31.823 0.033 0.000 0.983 180 V HN 0.619 nan 8.190 nan 0.000 0.459 181 R N 2.699 123.215 120.500 0.027 0.000 2.387 181 R HA 0.416 4.756 4.340 -0.000 0.000 0.314 181 R C -0.244 176.070 176.300 0.023 0.000 0.958 181 R CA -0.395 55.724 56.100 0.032 0.000 0.846 181 R CB 1.381 31.708 30.300 0.045 0.000 1.147 181 R HN 0.797 nan 8.270 nan 0.000 0.447 182 E N 3.460 123.676 120.200 0.026 0.000 2.259 182 E HA 0.241 4.591 4.350 -0.000 0.000 0.281 182 E C -0.631 175.981 176.600 0.021 0.000 1.027 182 E CA -0.358 56.056 56.400 0.023 0.000 0.838 182 E CB 0.780 30.495 29.700 0.025 0.000 1.066 182 E HN 0.460 nan 8.360 nan 0.000 0.401 183 I N 7.245 127.825 120.570 0.016 0.000 2.339 183 I HA 0.295 4.465 4.170 -0.000 0.000 0.290 183 I C -2.031 174.091 176.117 0.008 0.000 0.994 183 I CA -2.375 58.934 61.300 0.014 0.000 1.191 183 I CB 1.639 39.646 38.000 0.011 0.000 1.343 183 I HN 0.396 nan 8.210 nan 0.000 0.458 184 P HA 0.120 nan 4.420 nan 0.000 0.275 184 P C -0.689 176.609 177.300 -0.005 0.000 1.228 184 P CA -0.257 62.846 63.100 0.006 0.000 0.786 184 P CB 1.097 32.806 31.700 0.015 0.000 0.927 185 S N 1.028 116.715 115.700 -0.023 0.000 2.687 185 S HA 0.664 5.134 4.470 -0.000 0.000 0.283 185 S C 0.814 175.402 174.600 -0.020 0.000 1.170 185 S CA -0.677 57.498 58.200 -0.043 0.000 1.008 185 S CB 0.869 64.003 63.200 -0.110 0.000 1.026 185 S HN 0.612 nan 8.310 nan 0.000 0.541 186 G N 0.533 109.324 108.800 -0.015 0.000 2.611 186 G HA2 0.386 4.346 3.960 -0.000 0.000 0.273 186 G HA3 0.386 4.346 3.960 -0.000 0.000 0.273 186 G C -1.305 173.631 174.900 0.062 0.000 1.305 186 G CA -1.297 43.816 45.100 0.022 0.000 1.010 186 G HN 0.588 nan 8.290 nan 0.000 0.509 187 P HA -0.038 nan 4.420 nan 0.000 0.222 187 P C 0.942 178.390 177.300 0.247 0.000 1.147 187 P CA 0.919 64.117 63.100 0.165 0.000 0.790 187 P CB 0.372 32.133 31.700 0.101 0.000 0.780 188 E N -0.828 119.463 120.200 0.151 0.000 2.478 188 E HA 0.100 4.450 4.350 -0.000 0.000 0.194 188 E C 1.537 178.174 176.600 0.062 0.000 1.045 188 E CA 0.759 57.255 56.400 0.160 0.000 0.868 188 E CB -0.436 29.319 29.700 0.091 0.000 0.885 188 E HN 0.339 nan 8.360 nan 0.000 0.505 189 G N 1.682 110.385 108.800 -0.163 0.000 2.157 189 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.239 189 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.239 189 G C 0.156 174.903 174.900 -0.255 0.000 0.982 189 G CA 0.311 45.082 45.100 -0.549 0.000 0.650 189 G HN 0.310 nan 8.290 nan 0.000 0.527 190 E N -0.864 119.270 120.200 -0.110 0.000 2.254 190 E HA 0.572 4.922 4.350 -0.000 0.000 0.258 190 E C 0.405 176.979 176.600 -0.042 0.000 1.033 190 E CA -0.978 55.389 56.400 -0.054 0.000 0.893 190 E CB 1.840 31.540 29.700 -0.001 0.000 1.204 190 E HN 0.058 nan 8.360 nan 0.000 0.425 191 V N 2.158 122.059 119.914 -0.022 0.000 2.540 191 V HA -0.084 4.036 4.120 -0.000 0.000 0.297 191 V C 0.132 176.225 176.094 -0.002 0.000 1.024 191 V CA 0.353 62.646 62.300 -0.012 0.000 1.105 191 V CB 0.439 32.260 31.823 -0.004 0.000 0.938 191 V HN 0.576 nan 8.190 nan 0.000 0.482 192 D N 4.681 125.081 120.400 -0.001 0.000 2.344 192 D HA 0.104 4.744 4.640 -0.000 0.000 0.253 192 D C 1.008 177.314 176.300 0.010 0.000 1.255 192 D CA 0.117 54.122 54.000 0.008 0.000 0.894 192 D CB 0.936 41.742 40.800 0.010 0.000 1.067 192 D HN 0.471 nan 8.370 nan 0.000 0.492 193 L N 3.089 124.319 121.223 0.012 0.000 2.131 193 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 193 L C 2.122 178.999 176.870 0.012 0.000 1.092 193 L CA 0.792 55.639 54.840 0.011 0.000 0.759 193 L CB -0.107 41.960 42.059 0.012 0.000 0.903 193 L HN 0.376 nan 8.230 nan 0.000 0.435 194 E N 0.247 120.455 120.200 0.014 0.000 2.072 194 E HA -0.139 4.211 4.350 -0.000 0.000 0.190 194 E C 2.330 178.940 176.600 0.016 0.000 0.982 194 E CA 1.296 57.705 56.400 0.015 0.000 0.803 194 E CB -0.201 29.509 29.700 0.016 0.000 0.755 194 E HN 0.441 nan 8.360 nan 0.000 0.453 195 A N 1.228 124.058 122.820 0.016 0.000 1.930 195 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 195 A C 2.243 179.838 177.584 0.019 0.000 1.175 195 A CA 1.200 53.248 52.037 0.018 0.000 0.627 195 A CB -0.514 18.496 19.000 0.017 0.000 0.815 195 A HN 0.241 nan 8.150 nan 0.000 0.443 196 L N -0.268 120.964 121.223 0.015 0.000 2.027 196 L HA -0.075 4.265 4.340 -0.000 0.000 0.206 196 L C 2.175 179.054 176.870 0.016 0.000 1.074 196 L CA 2.240 57.087 54.840 0.012 0.000 0.745 196 L CB -0.515 41.547 42.059 0.005 0.000 0.898 196 L HN 0.311 nan 8.230 nan 0.000 0.433 197 K N -0.709 119.700 120.400 0.016 0.000 2.063 197 K HA -0.207 4.112 4.320 -0.000 0.000 0.208 197 K C 2.344 178.961 176.600 0.028 0.000 1.048 197 K CA 1.724 58.023 56.287 0.018 0.000 0.928 197 K CB -0.293 32.216 32.500 0.016 0.000 0.713 197 K HN 0.257 nan 8.250 nan 0.000 0.442 198 R N 0.900 121.417 120.500 0.028 0.000 2.096 198 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 198 R C 2.002 178.332 176.300 0.051 0.000 1.127 198 R CA 1.575 57.695 56.100 0.033 0.000 0.968 198 R CB 0.070 30.386 30.300 0.026 0.000 0.861 198 R HN 0.051 nan 8.270 nan 0.000 0.440 199 E N 0.229 120.462 120.200 0.054 0.000 2.230 199 E HA 0.035 4.385 4.350 -0.000 0.000 0.192 199 E C 0.149 176.817 176.600 0.113 0.000 0.987 199 E CA 0.334 56.785 56.400 0.084 0.000 0.841 199 E CB 0.036 29.770 29.700 0.057 0.000 0.783 199 E HN 0.227 nan 8.360 nan 0.000 0.481 200 L N -0.094 121.164 121.223 0.059 0.000 2.467 200 L HA 0.390 4.730 4.340 -0.000 0.000 0.270 200 L C 0.853 177.790 176.870 0.111 0.000 1.205 200 L CA 0.559 55.414 54.840 0.026 0.000 0.828 200 L CB 0.761 42.822 42.059 0.004 0.000 1.101 200 L HN 0.234 nan 8.230 nan 0.000 0.479 201 G N 1.107 109.938 108.800 0.051 0.000 2.322 201 G HA2 0.212 4.172 3.960 -0.000 0.000 0.295 201 G HA3 0.212 4.172 3.960 -0.000 0.000 0.295 201 G C -2.689 172.269 174.900 0.096 0.000 1.369 201 G CA -0.460 44.748 45.100 0.181 0.000 0.821 201 G HN 0.342 nan 8.290 nan 0.000 0.536 202 P HA -0.057 nan 4.420 nan 0.000 0.239 202 P C 0.864 178.203 177.300 0.065 0.000 1.184 202 P CA 1.121 64.265 63.100 0.073 0.000 0.760 202 P CB -0.165 31.576 31.700 0.068 0.000 0.884 203 H N -1.637 117.414 119.070 -0.033 0.000 2.562 203 H HA 0.144 4.700 4.556 -0.000 0.000 0.267 203 H C 0.273 175.571 175.328 -0.050 0.000 0.959 203 H CA -0.088 55.939 56.048 -0.035 0.000 1.204 203 H CB -0.846 28.908 29.762 -0.014 0.000 1.430 203 H HN -0.131 nan 8.280 nan 0.000 0.545 204 V N 2.524 122.080 119.914 -0.597 0.000 2.427 204 V HA 0.257 4.377 4.120 -0.000 0.000 0.268 204 V C 1.477 177.403 176.094 -0.279 0.000 1.046 204 V CA 0.393 62.427 62.300 -0.443 0.000 0.970 204 V CB 0.740 32.297 31.823 -0.444 0.000 1.001 204 V HN 0.570 nan 8.190 nan 0.000 0.476 205 A N 4.451 127.104 122.820 -0.279 0.000 1.897 205 A HA 0.557 4.877 4.320 -0.000 0.000 0.215 205 A C 1.098 178.670 177.584 -0.020 0.000 1.181 205 A CA 1.321 53.202 52.037 -0.260 0.000 0.620 205 A CB 0.026 18.797 19.000 -0.382 0.000 0.821 205 A HN 1.299 nan 8.150 nan 0.000 0.443 206 A N -2.360 120.373 122.820 -0.144 0.000 2.586 206 A HA 0.576 4.896 4.320 -0.000 0.000 0.291 206 A C -1.782 175.764 177.584 -0.062 0.000 1.062 206 A CA -0.418 51.590 52.037 -0.047 0.000 0.666 206 A CB 0.414 19.396 19.000 -0.029 0.000 1.281 206 A HN 1.051 nan 8.150 nan 0.000 0.421 207 L N 0.786 122.019 121.223 0.017 0.000 2.356 207 L HA 0.822 5.162 4.340 -0.000 0.000 0.277 207 L C -0.832 176.117 176.870 0.132 0.000 0.996 207 L CA -0.315 54.546 54.840 0.035 0.000 0.822 207 L CB 1.191 43.266 42.059 0.026 0.000 1.256 207 L HN 0.721 nan 8.230 nan 0.000 0.413 208 M N 6.658 126.322 119.600 0.107 0.000 2.149 208 M HA 0.581 5.061 4.480 -0.000 0.000 0.342 208 M C -1.174 175.253 176.300 0.212 0.000 1.068 208 M CA -0.204 55.215 55.300 0.198 0.000 0.991 208 M CB 1.376 33.975 32.600 -0.002 0.000 1.596 208 M HN 0.487 nan 8.290 nan 0.000 0.439 209 L N 1.673 123.083 121.223 0.312 0.000 2.415 209 L HA 0.713 5.053 4.340 -0.000 0.000 0.256 209 L C -0.211 176.685 176.870 0.044 0.000 1.010 209 L CA -0.934 54.033 54.840 0.211 0.000 0.826 209 L CB 2.748 44.990 42.059 0.305 0.000 1.405 209 L HN 0.648 nan 8.230 nan 0.000 0.410 210 T N -1.420 113.109 114.554 -0.041 0.000 2.855 210 T HA 0.610 4.960 4.350 -0.000 0.000 0.281 210 T C -0.691 173.940 174.700 -0.114 0.000 1.007 210 T CA -0.718 61.239 62.100 -0.237 0.000 1.009 210 T CB 1.876 70.673 68.868 -0.120 0.000 0.983 210 T HN 0.477 nan 8.240 nan 0.000 0.455 211 N N 2.792 121.422 118.700 -0.117 0.000 2.549 211 N HA 0.443 5.183 4.740 -0.000 0.000 0.290 211 N C -3.135 172.392 175.510 0.028 0.000 1.122 211 N CA -1.594 51.437 53.050 -0.032 0.000 0.885 211 N CB 1.783 40.279 38.487 0.016 0.000 1.455 211 N HN 0.307 nan 8.380 nan 0.000 0.521 212 P HA 0.033 nan 4.420 nan 0.000 0.267 212 P C -0.417 176.907 177.300 0.040 0.000 1.201 212 P CA -0.010 63.124 63.100 0.058 0.000 0.775 212 P CB 0.473 32.301 31.700 0.213 0.000 0.854 213 N N -0.537 118.180 118.700 0.028 0.000 2.366 213 N HA 0.047 4.787 4.740 -0.000 0.000 0.277 213 N C 1.005 176.544 175.510 0.047 0.000 1.275 213 N CA -0.095 52.965 53.050 0.017 0.000 0.964 213 N CB -1.200 37.275 38.487 -0.019 0.000 1.167 213 N HN 0.401 nan 8.380 nan 0.000 0.568 214 T N -2.962 111.604 114.554 0.021 0.000 3.025 214 T HA -0.064 4.286 4.350 -0.000 0.000 0.270 214 T C 1.276 175.938 174.700 -0.063 0.000 1.126 214 T CA 0.877 62.981 62.100 0.006 0.000 1.105 214 T CB -0.598 68.231 68.868 -0.064 0.000 0.884 214 T HN 0.439 nan 8.240 nan 0.000 0.522 215 L N 0.158 121.351 121.223 -0.051 0.000 2.592 215 L HA 0.403 4.743 4.340 -0.000 0.000 0.227 215 L C 2.063 178.959 176.870 0.043 0.000 1.127 215 L CA 0.376 55.202 54.840 -0.023 0.000 0.884 215 L CB -0.244 41.783 42.059 -0.055 0.000 1.065 215 L HN 0.558 nan 8.230 nan 0.000 0.457 216 G N 0.487 109.321 108.800 0.056 0.000 2.157 216 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.248 216 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.248 216 G C 0.081 175.073 174.900 0.153 0.000 0.979 216 G CA -0.215 44.946 45.100 0.102 0.000 0.650 216 G HN 0.203 nan 8.290 nan 0.000 0.529 217 L N 0.156 121.450 121.223 0.119 0.000 2.307 217 L HA 0.673 5.013 4.340 -0.000 0.000 0.282 217 L C 0.572 177.536 176.870 0.157 0.000 1.051 217 L CA -1.276 53.645 54.840 0.136 0.000 0.804 217 L CB 1.159 43.271 42.059 0.088 0.000 1.197 217 L HN 0.114 nan 8.230 nan 0.000 0.431 218 F N 2.697 122.689 119.950 0.071 0.000 2.443 218 F HA 0.117 4.644 4.527 -0.000 0.000 0.353 218 F C 0.835 176.678 175.800 0.070 0.000 1.101 218 F CA -0.300 57.747 58.000 0.078 0.000 1.226 218 F CB 0.658 39.695 39.000 0.063 0.000 1.140 218 F HN 0.402 nan 8.300 nan 0.000 0.557 219 E N 6.854 126.858 120.200 -0.326 0.000 1.858 219 E HA 0.040 4.390 4.350 -0.000 0.000 0.267 219 E C 1.117 177.779 176.600 0.103 0.000 1.215 219 E CA 0.160 56.497 56.400 -0.105 0.000 0.952 219 E CB 0.242 29.851 29.700 -0.153 0.000 1.058 219 E HN 0.767 nan 8.360 nan 0.000 0.407 220 R N 1.227 121.918 120.500 0.319 0.000 2.170 220 R HA -0.107 4.233 4.340 -0.000 0.000 0.242 220 R C 0.995 177.428 176.300 0.222 0.000 1.145 220 R CA 0.958 57.269 56.100 0.351 0.000 0.984 220 R CB 0.218 30.642 30.300 0.207 0.000 0.869 220 R HN 0.048 nan 8.270 nan 0.000 0.455 221 R N 0.410 120.989 120.500 0.132 0.000 2.515 221 R HA 0.067 4.407 4.340 -0.000 0.000 0.294 221 R C 1.312 177.645 176.300 0.056 0.000 1.021 221 R CA -0.137 56.012 56.100 0.083 0.000 1.081 221 R CB -0.308 30.022 30.300 0.051 0.000 1.263 221 R HN 0.152 nan 8.270 nan 0.000 0.557 222 I N 0.893 121.507 120.570 0.072 0.000 2.248 222 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 222 I C 1.662 177.770 176.117 -0.015 0.000 1.107 222 I CA 1.559 62.864 61.300 0.009 0.000 1.373 222 I CB 0.017 38.027 38.000 0.016 0.000 1.055 222 I HN 0.157 nan 8.210 nan 0.000 0.418 223 L N -0.393 120.850 121.223 0.034 0.000 2.141 223 L HA -0.142 4.197 4.340 -0.000 0.000 0.209 223 L C 2.469 179.333 176.870 -0.010 0.000 1.094 223 L CA 0.980 55.825 54.840 0.009 0.000 0.763 223 L CB -0.757 41.323 42.059 0.036 0.000 0.908 223 L HN 0.222 nan 8.230 nan 0.000 0.437 224 E N 0.580 120.781 120.200 0.002 0.000 2.072 224 E HA -0.125 4.224 4.350 -0.000 0.000 0.190 224 E C 2.266 178.853 176.600 -0.022 0.000 0.982 224 E CA 1.065 57.463 56.400 -0.004 0.000 0.803 224 E CB -0.052 29.653 29.700 0.008 0.000 0.755 224 E HN 0.465 nan 8.360 nan 0.000 0.453 225 I N 0.453 121.003 120.570 -0.033 0.000 2.264 225 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 225 I C 2.624 178.689 176.117 -0.086 0.000 1.111 225 I CA 1.185 62.453 61.300 -0.054 0.000 1.382 225 I CB -0.305 37.657 38.000 -0.063 0.000 1.060 225 I HN 0.034 nan 8.210 nan 0.000 0.418 226 S N 0.762 116.392 115.700 -0.117 0.000 2.355 226 S HA -0.218 4.252 4.470 -0.000 0.000 0.222 226 S C 2.298 176.852 174.600 -0.077 0.000 1.031 226 S CA 1.296 59.412 58.200 -0.139 0.000 0.993 226 S CB -0.248 62.853 63.200 -0.164 0.000 0.859 226 S HN 0.322 nan 8.310 nan 0.000 0.453 227 R N 0.359 120.829 120.500 -0.051 0.000 2.096 227 R HA -0.067 4.273 4.340 -0.000 0.000 0.240 227 R C 2.375 178.661 176.300 -0.024 0.000 1.139 227 R CA 1.834 57.916 56.100 -0.030 0.000 0.952 227 R CB -0.556 29.734 30.300 -0.017 0.000 0.854 227 R HN 0.476 nan 8.270 nan 0.000 0.436 228 L N -0.145 121.063 121.223 -0.024 0.000 2.012 228 L HA -0.283 4.057 4.340 -0.000 0.000 0.210 228 L C 2.788 179.648 176.870 -0.017 0.000 1.073 228 L CA 1.400 56.231 54.840 -0.016 0.000 0.748 228 L CB -0.499 41.552 42.059 -0.014 0.000 0.891 228 L HN 0.411 nan 8.230 nan 0.000 0.431 229 C N -0.129 119.153 119.300 -0.030 0.000 2.429 229 C HA -0.138 4.322 4.460 -0.000 0.000 0.277 229 C C 2.797 177.782 174.990 -0.008 0.000 1.262 229 C CA 0.637 59.640 59.018 -0.024 0.000 1.733 229 C CB -0.673 27.042 27.740 -0.042 0.000 2.010 229 C HN 0.428 nan 8.230 nan 0.000 0.483 230 K N 0.656 121.045 120.400 -0.018 0.000 2.097 230 K HA -0.195 4.125 4.320 -0.000 0.000 0.206 230 K C 2.039 178.640 176.600 0.002 0.000 1.049 230 K CA 1.351 57.632 56.287 -0.011 0.000 0.933 230 K CB -0.274 32.210 32.500 -0.027 0.000 0.717 230 K HN 0.604 nan 8.250 nan 0.000 0.442 231 E N 0.735 120.935 120.200 -0.000 0.000 2.110 231 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 231 E C 1.384 177.993 176.600 0.015 0.000 0.988 231 E CA 1.099 57.503 56.400 0.007 0.000 0.804 231 E CB 0.034 29.737 29.700 0.004 0.000 0.745 231 E HN 0.309 nan 8.360 nan 0.000 0.458 232 A N -0.127 122.702 122.820 0.016 0.000 2.275 232 A HA 0.323 4.643 4.320 -0.000 0.000 0.212 232 A C 1.477 179.084 177.584 0.038 0.000 1.201 232 A CA 0.660 52.709 52.037 0.020 0.000 0.843 232 A CB -0.211 18.793 19.000 0.006 0.000 0.873 232 A HN 0.420 nan 8.150 nan 0.000 0.492 233 G N -0.736 108.097 108.800 0.055 0.000 2.198 233 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.260 233 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.260 233 G C 0.094 175.097 174.900 0.171 0.000 1.025 233 G CA 0.354 45.520 45.100 0.111 0.000 0.769 233 G HN 0.755 nan 8.290 nan 0.000 0.507 234 V N 1.123 121.098 119.914 0.101 0.000 2.465 234 V HA 0.370 4.490 4.120 -0.000 0.000 0.279 234 V C 0.484 176.647 176.094 0.115 0.000 1.045 234 V CA -0.772 61.590 62.300 0.104 0.000 0.938 234 V CB 1.745 33.577 31.823 0.014 0.000 0.986 234 V HN 0.372 nan 8.190 nan 0.000 0.467 235 Q N 3.289 123.190 119.800 0.168 0.000 2.288 235 Q HA 0.320 4.660 4.340 -0.000 0.000 0.258 235 Q C -0.570 175.496 176.000 0.110 0.000 0.957 235 Q CA -0.554 55.321 55.803 0.119 0.000 0.919 235 Q CB 1.481 30.280 28.738 0.101 0.000 1.185 235 Q HN 0.535 nan 8.270 nan 0.000 0.408 236 L N 4.877 126.153 121.223 0.087 0.000 2.261 236 L HA 0.213 4.553 4.340 -0.000 0.000 0.289 236 L C -1.201 175.871 176.870 0.337 0.000 1.059 236 L CA -0.436 54.464 54.840 0.099 0.000 0.816 236 L CB 0.035 41.991 42.059 -0.172 0.000 1.191 236 L HN 0.434 nan 8.230 nan 0.000 0.431 237 Y N 5.233 125.701 120.300 0.280 0.000 2.320 237 Y HA 0.323 4.873 4.550 -0.000 0.000 0.334 237 Y C -1.375 174.775 175.900 0.417 0.000 1.055 237 Y CA -0.555 57.725 58.100 0.299 0.000 1.143 237 Y CB 0.857 39.399 38.460 0.136 0.000 1.193 237 Y HN 0.600 nan 8.280 nan 0.000 0.477 238 Y N 6.831 126.884 120.300 -0.410 0.000 2.417 238 Y HA 0.262 4.812 4.550 -0.000 0.000 0.336 238 Y C -0.440 175.143 175.900 -0.529 0.000 0.961 238 Y CA -1.040 56.676 58.100 -0.639 0.000 1.215 238 Y CB 0.333 38.160 38.460 -1.054 0.000 1.120 238 Y HN 0.673 nan 8.280 nan 0.000 0.499 239 D N 3.898 124.000 120.400 -0.497 0.000 2.343 239 D HA 0.114 4.754 4.640 -0.000 0.000 0.255 239 D C 0.852 176.667 176.300 -0.807 0.000 1.187 239 D CA 0.295 54.139 54.000 -0.260 0.000 0.875 239 D CB 1.505 42.294 40.800 -0.018 0.000 1.136 239 D HN 0.944 nan 8.370 nan 0.000 0.469 240 G N 2.840 111.312 108.800 -0.547 0.000 3.181 240 G HA2 0.148 4.108 3.960 -0.000 0.000 0.219 240 G HA3 0.148 4.108 3.960 -0.000 0.000 0.219 240 G C 1.334 176.051 174.900 -0.306 0.000 1.182 240 G CA 0.443 45.281 45.100 -0.436 0.000 0.791 240 G HN 0.588 nan 8.290 nan 0.000 0.537 241 A N 1.485 124.127 122.820 -0.298 0.000 1.986 241 A HA -0.134 4.185 4.320 -0.000 0.000 0.220 241 A C 1.866 179.368 177.584 -0.137 0.000 1.171 241 A CA 1.361 53.287 52.037 -0.185 0.000 0.640 241 A CB -0.127 18.809 19.000 -0.106 0.000 0.811 241 A HN 0.334 nan 8.150 nan 0.000 0.451 242 N N -0.202 118.389 118.700 -0.181 0.000 2.279 242 N HA 0.161 4.901 4.740 -0.000 0.000 0.226 242 N C 0.991 176.312 175.510 -0.315 0.000 1.126 242 N CA -0.152 52.722 53.050 -0.293 0.000 0.846 242 N CB 0.365 38.752 38.487 -0.167 0.000 1.050 242 N HN 0.461 nan 8.380 nan 0.000 0.502 243 L N 0.374 121.507 121.223 -0.150 0.000 2.127 243 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 243 L C 1.701 178.501 176.870 -0.117 0.000 1.089 243 L CA 1.280 56.101 54.840 -0.032 0.000 0.757 243 L CB -0.115 41.965 42.059 0.036 0.000 0.899 243 L HN 0.119 nan 8.230 nan 0.000 0.434 244 N N 0.210 118.781 118.700 -0.215 0.000 2.258 244 N HA -0.184 4.556 4.740 -0.000 0.000 0.187 244 N C 1.654 177.102 175.510 -0.104 0.000 1.012 244 N CA 1.467 54.414 53.050 -0.172 0.000 0.870 244 N CB -0.012 38.392 38.487 -0.140 0.000 0.977 244 N HN 0.435 nan 8.380 nan 0.000 0.434 245 A N 0.105 122.809 122.820 -0.194 0.000 2.014 245 A HA 0.046 4.366 4.320 -0.000 0.000 0.218 245 A C 1.823 179.430 177.584 0.040 0.000 1.163 245 A CA 1.134 53.139 52.037 -0.052 0.000 0.652 245 A CB -0.477 18.492 19.000 -0.052 0.000 0.808 245 A HN 0.532 nan 8.150 nan 0.000 0.449 246 I N -5.086 115.536 120.570 0.087 0.000 4.081 246 I HA 0.352 4.522 4.170 -0.000 0.000 0.333 246 I C 0.089 176.364 176.117 0.263 0.000 1.413 246 I CA -0.452 60.974 61.300 0.210 0.000 1.110 246 I CB -0.089 38.048 38.000 0.229 0.000 1.082 246 I HN -0.032 nan 8.210 nan 0.000 0.402 247 M N 2.862 122.562 119.600 0.168 0.000 2.336 247 M HA 0.042 4.522 4.480 -0.000 0.000 0.371 247 M C 1.514 177.872 176.300 0.098 0.000 1.542 247 M CA 1.954 57.315 55.300 0.102 0.000 0.959 247 M CB 0.010 32.628 32.600 0.031 0.000 2.033 247 M HN 0.654 nan 8.290 nan 0.000 0.472 248 G N 2.591 111.385 108.800 -0.010 0.000 2.304 248 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.252 248 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.252 248 G C 0.335 175.068 174.900 -0.279 0.000 1.014 248 G CA 0.613 45.601 45.100 -0.187 0.000 0.619 248 G HN 0.863 nan 8.290 nan 0.000 0.525 249 W N 0.820 122.110 121.300 -0.015 0.000 2.630 249 W HA 0.692 5.352 4.660 -0.000 0.000 0.271 249 W C 1.273 177.787 176.519 -0.008 0.000 1.244 249 W CA 1.001 58.335 57.345 -0.018 0.000 1.353 249 W CB 0.438 29.885 29.460 -0.022 0.000 1.080 249 W HN 0.872 nan 8.180 nan 0.000 0.594 250 A N 0.319 123.268 122.820 0.216 0.000 2.517 250 A HA 0.700 5.020 4.320 -0.000 0.000 0.297 250 A C -0.885 176.754 177.584 0.091 0.000 1.050 250 A CA -0.900 51.230 52.037 0.155 0.000 0.694 250 A CB 0.983 20.117 19.000 0.224 0.000 1.277 250 A HN 0.023 nan 8.150 nan 0.000 0.400 251 R N 2.678 123.206 120.500 0.047 0.000 2.312 251 R HA 0.387 4.727 4.340 -0.000 0.000 0.311 251 R C -1.977 174.301 176.300 -0.037 0.000 1.004 251 R CA -1.803 54.291 56.100 -0.010 0.000 0.902 251 R CB 1.342 31.634 30.300 -0.013 0.000 1.073 251 R HN 0.398 nan 8.270 nan 0.000 0.457 252 P HA -0.177 nan 4.420 nan 0.000 0.216 252 P C 1.213 178.521 177.300 0.014 0.000 1.150 252 P CA 1.305 64.232 63.100 -0.290 0.000 0.843 252 P CB 0.239 31.404 31.700 -0.892 0.000 0.787 253 G N -0.124 108.661 108.800 -0.026 0.000 2.442 253 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.219 253 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.219 253 G C 1.157 176.080 174.900 0.038 0.000 1.141 253 G CA 0.874 45.987 45.100 0.023 0.000 0.763 253 G HN 0.207 nan 8.290 nan 0.000 0.554 254 D N 0.214 120.636 120.400 0.036 0.000 2.348 254 D HA 0.023 4.663 4.640 -0.000 0.000 0.216 254 D C 2.333 178.666 176.300 0.055 0.000 0.970 254 D CA 0.439 54.463 54.000 0.040 0.000 0.889 254 D CB -0.016 40.808 40.800 0.041 0.000 0.912 254 D HN 0.369 nan 8.370 nan 0.000 0.524 255 M N -1.061 118.591 119.600 0.087 0.000 2.556 255 M HA 0.157 4.637 4.480 -0.000 0.000 0.245 255 M C 1.187 177.434 176.300 -0.088 0.000 1.128 255 M CA 0.513 55.856 55.300 0.073 0.000 1.069 255 M CB 0.815 33.545 32.600 0.216 0.000 1.469 255 M HN 0.086 nan 8.290 nan 0.000 0.494 256 G N 0.455 109.214 108.800 -0.067 0.000 2.179 256 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.220 256 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.220 256 G C -0.130 174.661 174.900 -0.183 0.000 0.990 256 G CA -0.715 44.302 45.100 -0.138 0.000 0.646 256 G HN 0.318 nan 8.290 nan 0.000 0.517 257 F N 1.941 121.875 119.950 -0.027 0.000 2.484 257 F HA 0.359 4.886 4.527 -0.000 0.000 0.360 257 F C 1.439 177.223 175.800 -0.027 0.000 1.101 257 F CA 0.190 58.176 58.000 -0.023 0.000 1.251 257 F CB 0.777 39.732 39.000 -0.075 0.000 1.132 257 F HN -0.007 nan 8.300 nan 0.000 0.570 258 D N 1.299 121.794 120.400 0.158 0.000 2.277 258 D HA 0.017 4.657 4.640 -0.000 0.000 0.209 258 D C 0.103 176.394 176.300 -0.015 0.000 0.970 258 D CA 0.908 54.947 54.000 0.065 0.000 0.874 258 D CB 0.818 41.654 40.800 0.060 0.000 0.982 258 D HN 0.240 nan 8.370 nan 0.000 0.504 259 V N 0.888 120.812 119.914 0.016 0.000 2.709 259 V HA 0.455 4.575 4.120 -0.000 0.000 0.308 259 V C -1.400 174.604 176.094 -0.151 0.000 1.062 259 V CA -0.592 61.668 62.300 -0.066 0.000 0.901 259 V CB 2.467 34.268 31.823 -0.036 0.000 1.003 259 V HN -0.227 nan 8.190 nan 0.000 0.425 260 V N 6.368 126.202 119.914 -0.133 0.000 2.531 260 V HA 0.461 4.581 4.120 -0.000 0.000 0.301 260 V C -0.396 175.673 176.094 -0.042 0.000 1.034 260 V CA -0.529 61.711 62.300 -0.101 0.000 0.865 260 V CB 1.500 33.289 31.823 -0.058 0.000 0.995 260 V HN 1.012 nan 8.190 nan 0.000 0.424 261 H N 5.944 124.893 119.070 -0.202 0.000 2.597 261 H HA 0.605 5.161 4.556 -0.000 0.000 0.303 261 H C -1.084 174.225 175.328 -0.031 0.000 1.057 261 H CA -0.687 55.304 56.048 -0.095 0.000 1.261 261 H CB 0.852 30.590 29.762 -0.041 0.000 1.397 261 H HN 0.522 nan 8.280 nan 0.000 0.461 262 L N 4.018 125.234 121.223 -0.012 0.000 2.358 262 L HA 0.330 4.670 4.340 -0.000 0.000 0.268 262 L C -0.337 176.437 176.870 -0.160 0.000 1.032 262 L CA -0.987 53.807 54.840 -0.077 0.000 0.805 262 L CB 1.387 43.457 42.059 0.019 0.000 1.253 262 L HN 0.729 nan 8.230 nan 0.000 0.452 263 N N 1.086 119.708 118.700 -0.131 0.000 2.617 263 N HA 0.266 5.006 4.740 -0.000 0.000 0.263 263 N C 0.232 175.661 175.510 -0.134 0.000 1.074 263 N CA -0.527 52.380 53.050 -0.238 0.000 0.841 263 N CB 1.594 39.763 38.487 -0.530 0.000 1.221 263 N HN 0.377 nan 8.380 nan 0.000 0.529 264 L N 1.645 122.887 121.223 0.033 0.000 2.079 264 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 264 L C 2.304 179.185 176.870 0.018 0.000 1.081 264 L CA 1.692 56.605 54.840 0.122 0.000 0.752 264 L CB -0.878 41.207 42.059 0.042 0.000 0.896 264 L HN 0.742 nan 8.230 nan 0.000 0.433 265 H N -1.965 117.035 119.070 -0.116 0.000 2.563 265 H HA 0.038 4.594 4.556 -0.000 0.000 0.272 265 H C 1.415 176.491 175.328 -0.420 0.000 1.005 265 H CA 0.507 56.374 56.048 -0.303 0.000 1.171 265 H CB -0.007 29.541 29.762 -0.356 0.000 1.351 265 H HN 0.377 nan 8.280 nan 0.000 0.602 266 K N 0.275 120.383 120.400 -0.488 0.000 2.446 266 K HA 0.110 4.430 4.320 -0.000 0.000 0.238 266 K C 1.975 178.444 176.600 -0.218 0.000 1.193 266 K CA 0.690 56.789 56.287 -0.314 0.000 0.782 266 K CB 0.352 32.656 32.500 -0.327 0.000 1.506 266 K HN 0.018 nan 8.250 nan 0.000 0.417 267 T N 1.163 115.567 114.554 -0.250 0.000 2.867 267 T HA -0.039 4.311 4.350 -0.000 0.000 0.268 267 T C 0.865 175.147 174.700 -0.697 0.000 1.057 267 T CA 1.196 63.010 62.100 -0.475 0.000 1.136 267 T CB -0.110 68.352 68.868 -0.677 0.000 0.874 267 T HN 0.055 nan 8.240 nan 0.000 0.466 268 F N 1.677 121.527 119.950 -0.167 0.000 2.750 268 F HA 0.290 4.817 4.527 -0.000 0.000 0.297 268 F C 1.449 176.935 175.800 -0.523 0.000 1.138 268 F CA -0.250 57.599 58.000 -0.252 0.000 1.346 268 F CB -0.755 38.231 39.000 -0.024 0.000 0.965 268 F HN 0.220 nan 8.300 nan 0.000 0.514 269 T N -3.571 110.734 114.554 -0.414 0.000 7.578 269 T HA -0.250 4.100 4.350 -0.000 0.000 0.299 269 T C 0.239 174.844 174.700 -0.158 0.000 2.097 269 T CA 0.485 62.380 62.100 -0.343 0.000 3.248 269 T CB -2.734 65.828 68.868 -0.509 0.000 2.014 269 T HN 0.012 nan 8.240 nan 0.000 1.198 270 V N 4.687 124.538 119.914 -0.104 0.000 2.617 270 V HA 0.281 4.401 4.120 -0.000 0.000 0.304 270 V C -1.106 174.919 176.094 -0.115 0.000 1.040 270 V CA -0.647 61.611 62.300 -0.069 0.000 1.149 270 V CB 0.194 31.996 31.823 -0.035 0.000 0.914 270 V HN 0.488 nan 8.190 nan 0.000 0.487 271 P HA 0.013 nan 4.420 nan 0.000 0.266 271 P C 0.024 177.279 177.300 -0.076 0.000 1.195 271 P CA 0.145 63.214 63.100 -0.053 0.000 0.768 271 P CB 0.542 32.221 31.700 -0.034 0.000 0.838 272 H N 1.586 120.615 119.070 -0.068 0.000 2.524 272 H HA 0.091 4.647 4.556 -0.000 0.000 0.282 272 H C 1.741 177.022 175.328 -0.078 0.000 1.016 272 H CA 1.414 57.423 56.048 -0.065 0.000 1.270 272 H CB -0.686 29.002 29.762 -0.124 0.000 1.394 272 H HN 0.740 nan 8.280 nan 0.000 0.568 273 G N 0.364 109.182 108.800 0.030 0.000 2.402 273 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.300 273 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.300 273 G C 1.317 176.216 174.900 -0.001 0.000 0.987 273 G CA 0.683 45.781 45.100 -0.003 0.000 0.881 273 G HN 0.996 nan 8.290 nan 0.000 0.512 274 G N -2.348 106.454 108.800 0.003 0.000 2.162 274 G HA2 0.205 4.165 3.960 -0.000 0.000 0.260 274 G HA3 0.205 4.165 3.960 -0.000 0.000 0.260 274 G C 1.678 176.584 174.900 0.010 0.000 0.976 274 G CA 0.920 46.023 45.100 0.005 0.000 0.655 274 G HN 2.564 nan 8.290 nan 0.000 0.533 275 G N -2.465 106.341 108.800 0.010 0.000 3.110 275 G HA2 0.560 4.520 3.960 -0.000 0.000 0.205 275 G HA3 0.560 4.520 3.960 -0.000 0.000 0.205 275 G C 1.136 176.012 174.900 -0.040 0.000 1.019 275 G CA 1.164 46.265 45.100 0.003 0.000 0.826 275 G HN 2.461 nan 8.290 nan 0.000 0.481 276 G N -0.331 108.433 108.800 -0.060 0.000 2.320 276 G HA2 0.666 4.626 3.960 -0.000 0.000 0.296 276 G HA3 0.666 4.626 3.960 -0.000 0.000 0.296 276 G C -3.097 171.749 174.900 -0.091 0.000 1.306 276 G CA 0.272 45.300 45.100 -0.120 0.000 0.836 276 G HN 0.486 nan 8.290 nan 0.000 0.517 277 P HA 0.617 nan 4.420 nan 0.000 0.277 277 P C 0.198 177.364 177.300 -0.223 0.000 1.271 277 P CA 0.295 63.309 63.100 -0.145 0.000 0.795 277 P CB 1.834 33.473 31.700 -0.102 0.000 1.101 278 G N -1.194 107.431 108.800 -0.292 0.000 2.815 278 G HA2 0.528 4.488 3.960 -0.000 0.000 0.305 278 G HA3 0.528 4.488 3.960 -0.000 0.000 0.305 278 G C -1.621 173.178 174.900 -0.169 0.000 1.277 278 G CA -0.464 44.389 45.100 -0.411 0.000 0.795 278 G HN 0.643 nan 8.290 nan 0.000 0.528 279 S N -1.597 114.114 115.700 0.018 0.000 2.572 279 S HA 0.609 5.079 4.470 -0.000 0.000 0.274 279 S C -0.317 174.404 174.600 0.203 0.000 1.150 279 S CA 0.244 58.500 58.200 0.094 0.000 0.944 279 S CB 1.303 64.529 63.200 0.044 0.000 1.071 279 S HN 1.665 nan 8.310 nan 0.000 0.479 280 G N 4.664 113.586 108.800 0.203 0.000 4.766 280 G HA2 0.520 4.480 3.960 -0.000 0.000 0.331 280 G HA3 0.520 4.480 3.960 -0.000 0.000 0.331 280 G C -3.054 171.976 174.900 0.217 0.000 1.473 280 G CA -1.494 43.773 45.100 0.278 0.000 1.076 280 G HN 0.514 nan 8.290 nan 0.000 0.544 281 P HA 0.191 nan 4.420 nan 0.000 0.268 281 P C -0.196 177.155 177.300 0.085 0.000 1.208 281 P CA -0.100 63.031 63.100 0.050 0.000 0.777 281 P CB 1.471 33.150 31.700 -0.035 0.000 0.875 282 V N 2.208 122.142 119.914 0.034 0.000 2.443 282 V HA 0.549 4.669 4.120 -0.000 0.000 0.293 282 V C 0.629 176.709 176.094 -0.023 0.000 1.021 282 V CA -0.489 61.825 62.300 0.023 0.000 0.848 282 V CB 1.463 33.292 31.823 0.010 0.000 0.998 282 V HN 0.705 nan 8.190 nan 0.000 0.424 283 G N 2.882 111.660 108.800 -0.036 0.000 2.400 283 G HA2 0.635 4.595 3.960 -0.000 0.000 0.301 283 G HA3 0.635 4.595 3.960 -0.000 0.000 0.301 283 G C -1.164 173.696 174.900 -0.066 0.000 1.154 283 G CA -0.453 44.611 45.100 -0.060 0.000 0.852 283 G HN 0.574 nan 8.290 nan 0.000 0.511 284 V N 1.474 121.342 119.914 -0.076 0.000 3.049 284 V HA 0.463 4.583 4.120 -0.000 0.000 0.309 284 V C -0.700 175.329 176.094 -0.108 0.000 1.148 284 V CA -1.096 61.145 62.300 -0.098 0.000 0.990 284 V CB 2.527 34.291 31.823 -0.099 0.000 1.039 284 V HN 0.689 nan 8.190 nan 0.000 0.430 285 K N 1.796 122.106 120.400 -0.151 0.000 2.138 285 K HA 0.474 4.794 4.320 -0.000 0.000 0.251 285 K C 1.297 177.818 176.600 -0.131 0.000 1.015 285 K CA 0.393 56.620 56.287 -0.100 0.000 0.917 285 K CB 1.166 33.656 32.500 -0.017 0.000 1.021 285 K HN 0.815 nan 8.250 nan 0.000 0.485 286 A N 1.949 124.764 122.820 -0.010 0.000 1.915 286 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 286 A C 1.730 179.322 177.584 0.014 0.000 1.198 286 A CA 2.239 54.283 52.037 0.012 0.000 0.647 286 A CB -1.085 17.951 19.000 0.060 0.000 0.825 286 A HN 0.876 nan 8.150 nan 0.000 0.456 287 H N -0.936 118.127 119.070 -0.012 0.000 2.545 287 H HA 0.111 4.667 4.556 -0.000 0.000 0.282 287 H C 1.414 176.776 175.328 0.057 0.000 1.020 287 H CA 1.335 57.400 56.048 0.028 0.000 1.243 287 H CB -0.452 29.320 29.762 0.016 0.000 1.377 287 H HN 0.511 nan 8.280 nan 0.000 0.581 288 L N -0.224 120.788 121.223 -0.351 0.000 2.609 288 L HA 0.312 4.651 4.340 -0.000 0.000 0.230 288 L C 2.801 179.657 176.870 -0.024 0.000 1.087 288 L CA 0.453 55.224 54.840 -0.116 0.000 0.874 288 L CB -0.093 41.773 42.059 -0.322 0.000 1.114 288 L HN 0.217 nan 8.230 nan 0.000 0.488 289 A N 1.927 124.680 122.820 -0.111 0.000 1.927 289 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 289 A C -0.084 177.402 177.584 -0.163 0.000 1.185 289 A CA 1.982 53.956 52.037 -0.105 0.000 0.639 289 A CB -1.807 17.142 19.000 -0.086 0.000 0.820 289 A HN 0.298 nan 8.150 nan 0.000 0.451 290 P HA -0.140 nan 4.420 nan 0.000 0.225 290 P C 0.286 177.265 177.300 -0.536 0.000 1.148 290 P CA 1.081 63.898 63.100 -0.471 0.000 0.779 290 P CB -0.251 31.080 31.700 -0.615 0.000 0.780 291 Y N -1.033 119.279 120.300 0.021 0.000 2.458 291 Y HA 0.239 4.789 4.550 -0.000 0.000 0.256 291 Y C 1.614 177.521 175.900 0.011 0.000 1.159 291 Y CA -0.740 57.377 58.100 0.028 0.000 1.261 291 Y CB -0.806 37.680 38.460 0.043 0.000 1.119 291 Y HN -0.200 nan 8.280 nan 0.000 0.524 292 L N 4.117 125.378 121.223 0.064 0.000 2.554 292 L HA -0.024 4.315 4.340 -0.000 0.000 0.293 292 L C -1.793 175.098 176.870 0.036 0.000 1.252 292 L CA -1.389 53.471 54.840 0.033 0.000 0.862 292 L CB 0.159 42.209 42.059 -0.015 0.000 1.113 292 L HN -0.033 nan 8.230 nan 0.000 0.510 293 P HA 0.048 nan 4.420 nan 0.000 0.272 293 P C -0.672 176.640 177.300 0.021 0.000 1.240 293 P CA -0.228 62.893 63.100 0.035 0.000 0.791 293 P CB 1.295 33.009 31.700 0.022 0.000 0.978 294 V N 2.435 122.377 119.914 0.047 0.000 2.732 294 V HA 0.471 4.591 4.120 -0.000 0.000 0.310 294 V C -1.983 174.107 176.094 -0.007 0.000 1.053 294 V CA -2.361 59.941 62.300 0.002 0.000 0.957 294 V CB 1.839 33.731 31.823 0.116 0.000 1.018 294 V HN 0.639 nan 8.190 nan 0.000 0.452 295 P HA 0.457 nan 4.420 nan 0.000 0.286 295 P C -1.484 175.639 177.300 -0.296 0.000 1.292 295 P CA -0.621 62.135 63.100 -0.573 0.000 0.842 295 P CB 1.811 32.627 31.700 -1.474 0.000 1.207 296 L N -0.188 120.867 121.223 -0.279 0.000 2.322 296 L HA 0.495 4.835 4.340 -0.000 0.000 0.269 296 L C -0.107 176.631 176.870 -0.221 0.000 1.012 296 L CA -1.425 53.305 54.840 -0.183 0.000 0.815 296 L CB 2.058 44.041 42.059 -0.126 0.000 1.295 296 L HN 0.050 nan 8.230 nan 0.000 0.438 297 V N 1.818 121.646 119.914 -0.145 0.000 2.364 297 V HA 0.314 4.434 4.120 -0.000 0.000 0.272 297 V C -0.043 176.049 176.094 -0.002 0.000 1.036 297 V CA -0.545 61.688 62.300 -0.112 0.000 0.880 297 V CB 0.986 32.796 31.823 -0.022 0.000 0.991 297 V HN 0.629 nan 8.190 nan 0.000 0.460 298 E N 3.631 123.662 120.200 -0.281 0.000 2.281 298 E HA 0.569 4.918 4.350 -0.000 0.000 0.262 298 E C -0.657 175.720 176.600 -0.370 0.000 0.933 298 E CA -1.042 55.182 56.400 -0.293 0.000 0.809 298 E CB 2.748 32.085 29.700 -0.605 0.000 1.242 298 E HN 0.548 nan 8.360 nan 0.000 0.418 299 R N 0.145 120.456 120.500 -0.316 0.000 2.393 299 R HA 0.603 4.943 4.340 -0.000 0.000 0.315 299 R C -0.348 175.813 176.300 -0.231 0.000 0.952 299 R CA -0.362 55.399 56.100 -0.565 0.000 0.842 299 R CB 1.045 30.681 30.300 -1.108 0.000 1.163 299 R HN 0.577 nan 8.270 nan 0.000 0.450 300 G N 1.491 110.200 108.800 -0.152 0.000 2.644 300 G HA2 0.149 4.109 3.960 -0.000 0.000 0.307 300 G HA3 0.149 4.109 3.960 -0.000 0.000 0.307 300 G C 0.272 175.049 174.900 -0.205 0.000 1.250 300 G CA -0.600 44.457 45.100 -0.073 0.000 0.996 300 G HN 0.809 nan 8.290 nan 0.000 0.489 301 E N -0.625 119.485 120.200 -0.150 0.000 2.153 301 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 301 E C 1.496 178.001 176.600 -0.158 0.000 0.988 301 E CA 1.810 58.121 56.400 -0.148 0.000 0.811 301 E CB -0.103 29.537 29.700 -0.101 0.000 0.746 301 E HN 0.497 nan 8.360 nan 0.000 0.466 302 E N 0.970 121.080 120.200 -0.151 0.000 2.299 302 E HA 0.255 4.605 4.350 -0.000 0.000 0.193 302 E C 0.929 177.438 176.600 -0.152 0.000 0.998 302 E CA 0.626 56.946 56.400 -0.133 0.000 0.851 302 E CB 0.388 30.018 29.700 -0.118 0.000 0.795 302 E HN 0.370 nan 8.360 nan 0.000 0.492 303 G N -0.710 107.958 108.800 -0.221 0.000 2.359 303 G HA2 0.252 4.212 3.960 -0.000 0.000 0.293 303 G HA3 0.252 4.212 3.960 -0.000 0.000 0.293 303 G C -1.498 173.223 174.900 -0.299 0.000 1.300 303 G CA -1.060 43.865 45.100 -0.292 0.000 0.888 303 G HN 0.008 nan 8.290 nan 0.000 0.541 304 F N 0.981 120.919 119.950 -0.019 0.000 2.399 304 F HA 0.705 5.232 4.527 -0.000 0.000 0.342 304 F C 0.660 176.521 175.800 0.101 0.000 1.106 304 F CA 0.289 58.262 58.000 -0.045 0.000 1.196 304 F CB 1.099 40.028 39.000 -0.117 0.000 1.163 304 F HN 0.664 nan 8.300 nan 0.000 0.547 305 Y N 0.136 120.479 120.300 0.072 0.000 2.638 305 Y HA 0.640 5.190 4.550 -0.000 0.000 0.335 305 Y C -2.040 173.846 175.900 -0.023 0.000 1.155 305 Y CA -1.997 56.113 58.100 0.016 0.000 1.046 305 Y CB 0.677 39.136 38.460 -0.002 0.000 1.303 305 Y HN 0.229 nan 8.280 nan 0.000 0.460 306 L N 3.204 124.440 121.223 0.022 0.000 2.260 306 L HA 0.275 4.615 4.340 -0.000 0.000 0.289 306 L C -0.453 176.383 176.870 -0.058 0.000 1.057 306 L CA 0.069 54.801 54.840 -0.179 0.000 0.811 306 L CB 0.691 42.617 42.059 -0.221 0.000 1.184 306 L HN 0.761 nan 8.230 nan 0.000 0.429 307 D N 2.903 123.177 120.400 -0.210 0.000 2.313 307 D HA 0.155 4.795 4.640 -0.000 0.000 0.239 307 D C 0.289 176.505 176.300 -0.141 0.000 1.142 307 D CA -0.140 53.848 54.000 -0.019 0.000 0.847 307 D CB 0.854 41.637 40.800 -0.030 0.000 1.082 307 D HN 0.283 nan 8.370 nan 0.000 0.480 308 F N 0.984 120.995 119.950 0.101 0.000 2.720 308 F HA 0.107 4.634 4.527 -0.000 0.000 0.301 308 F C 1.214 177.052 175.800 0.064 0.000 1.103 308 F CA -0.440 57.608 58.000 0.079 0.000 1.291 308 F CB 0.433 39.484 39.000 0.085 0.000 1.086 308 F HN 0.255 nan 8.300 nan 0.000 0.592 309 D N 1.654 122.190 120.400 0.227 0.000 2.671 309 D HA 0.051 4.691 4.640 -0.000 0.000 0.228 309 D C -0.146 176.210 176.300 0.094 0.000 1.102 309 D CA 0.254 54.340 54.000 0.143 0.000 1.044 309 D CB -0.102 40.770 40.800 0.120 0.000 1.113 309 D HN -0.110 nan 8.370 nan 0.000 0.480 310 R N 3.254 123.807 120.500 0.089 0.000 2.443 310 R HA 0.201 4.541 4.340 -0.000 0.000 0.287 310 R C -1.739 174.588 176.300 0.046 0.000 1.425 310 R CA -1.503 54.624 56.100 0.044 0.000 1.300 310 R CB 1.018 31.337 30.300 0.031 0.000 1.129 310 R HN 0.262 nan 8.270 nan 0.000 0.577 311 P HA -0.172 nan 4.420 nan 0.000 0.217 311 P C 0.304 177.633 177.300 0.048 0.000 1.148 311 P CA 1.305 64.429 63.100 0.041 0.000 0.834 311 P CB 0.459 32.177 31.700 0.031 0.000 0.783 312 K N -0.472 119.942 120.400 0.023 0.000 2.358 312 K HA 0.140 4.460 4.320 -0.000 0.000 0.197 312 K C 1.014 177.688 176.600 0.123 0.000 1.025 312 K CA -0.192 56.135 56.287 0.066 0.000 1.104 312 K CB 0.250 32.725 32.500 -0.042 0.000 0.855 312 K HN 0.010 nan 8.250 nan 0.000 0.531 313 S N 1.419 117.164 115.700 0.075 0.000 2.563 313 S HA -0.013 4.457 4.470 -0.000 0.000 0.284 313 S C 1.342 176.022 174.600 0.132 0.000 1.331 313 S CA -0.424 57.834 58.200 0.098 0.000 1.047 313 S CB 0.357 63.603 63.200 0.077 0.000 0.859 313 S HN 0.366 nan 8.310 nan 0.000 0.514 314 I N 1.809 122.459 120.570 0.133 0.000 3.111 314 I HA 0.393 4.563 4.170 -0.000 0.000 0.272 314 I C 1.128 177.292 176.117 0.079 0.000 1.268 314 I CA 0.450 61.814 61.300 0.107 0.000 1.467 314 I CB -1.046 37.007 38.000 0.090 0.000 1.087 314 I HN 0.863 nan 8.210 nan 0.000 0.467 315 G N 1.658 110.508 108.800 0.084 0.000 2.378 315 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.198 315 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.198 315 G C -0.779 174.173 174.900 0.087 0.000 1.223 315 G CA -0.267 44.884 45.100 0.085 0.000 1.088 315 G HN 0.521 nan 8.290 nan 0.000 0.530 316 R N -0.175 120.375 120.500 0.084 0.000 2.393 316 R HA 0.593 4.932 4.340 -0.000 0.000 0.310 316 R C 1.336 177.674 176.300 0.063 0.000 0.968 316 R CA 0.003 56.156 56.100 0.087 0.000 0.867 316 R CB 1.540 31.900 30.300 0.099 0.000 1.124 316 R HN 1.200 nan 8.270 nan 0.000 0.450 317 V N 0.963 120.916 119.914 0.065 0.000 3.644 317 V HA 0.332 4.452 4.120 -0.000 0.000 0.267 317 V C 0.046 176.280 176.094 0.234 0.000 1.277 317 V CA 0.318 62.660 62.300 0.070 0.000 1.096 317 V CB -0.623 31.136 31.823 -0.107 0.000 0.828 317 V HN 0.818 nan 8.190 nan 0.000 0.446 318 R N -1.241 119.364 120.500 0.175 0.000 2.741 318 R HA 0.601 4.940 4.340 -0.000 0.000 0.274 318 R C -0.829 175.475 176.300 0.007 0.000 1.029 318 R CA -0.031 56.139 56.100 0.116 0.000 0.880 318 R CB 0.435 30.830 30.300 0.159 0.000 1.264 318 R HN -0.052 nan 8.270 nan 0.000 0.465 319 S N 0.932 116.587 115.700 -0.075 0.000 2.585 319 S HA 0.432 4.902 4.470 -0.000 0.000 0.273 319 S C -0.083 174.380 174.600 -0.228 0.000 1.339 319 S CA 0.180 58.217 58.200 -0.272 0.000 1.028 319 S CB -0.374 62.626 63.200 -0.333 0.000 0.906 319 S HN 0.444 nan 8.310 nan 0.000 0.528 320 F N -0.322 119.494 119.950 -0.222 0.000 2.756 320 F HA -0.355 4.172 4.527 -0.000 0.000 0.240 320 F C 0.955 176.466 175.800 -0.480 0.000 1.487 320 F CA 1.716 59.346 58.000 -0.618 0.000 1.859 320 F CB -1.248 37.268 39.000 -0.806 0.000 1.319 320 F HN 0.692 nan 8.300 nan 0.000 0.230 321 Y N 0.674 121.117 120.300 0.238 0.000 2.527 321 Y HA 0.581 5.131 4.550 -0.000 0.000 0.247 321 Y C 0.879 176.835 175.900 0.092 0.000 1.138 321 Y CA -0.180 57.988 58.100 0.114 0.000 1.228 321 Y CB 0.583 39.083 38.460 0.068 0.000 1.252 321 Y HN 0.931 nan 8.280 nan 0.000 0.531 322 G N 0.862 109.763 108.800 0.167 0.000 2.408 322 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.682 322 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.682 322 G C -1.271 173.694 174.900 0.108 0.000 1.303 322 G CA -1.068 44.108 45.100 0.128 0.000 0.966 322 G HN 0.091 nan 8.290 nan 0.000 0.560 323 N N 0.594 119.332 118.700 0.063 0.000 2.671 323 N HA 0.178 4.918 4.740 -0.000 0.000 0.274 323 N C 1.314 176.843 175.510 0.032 0.000 1.188 323 N CA -0.215 52.853 53.050 0.031 0.000 1.065 323 N CB -0.366 38.111 38.487 -0.017 0.000 1.415 323 N HN 0.557 nan 8.380 nan 0.000 0.511 324 F N 3.207 123.124 119.950 -0.055 0.000 2.120 324 F HA -0.229 4.298 4.527 -0.000 0.000 0.300 324 F C 1.518 177.243 175.800 -0.124 0.000 1.095 324 F CA 1.196 59.144 58.000 -0.087 0.000 1.249 324 F CB 0.067 39.021 39.000 -0.077 0.000 0.995 324 F HN 0.368 nan 8.300 nan 0.000 0.480 325 L N 0.317 121.423 121.223 -0.195 0.000 2.131 325 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 325 L C 2.691 179.395 176.870 -0.276 0.000 1.092 325 L CA 1.761 56.439 54.840 -0.270 0.000 0.759 325 L CB -1.931 40.088 42.059 -0.067 0.000 0.903 325 L HN 0.271 nan 8.230 nan 0.000 0.435 326 A N -0.883 121.822 122.820 -0.192 0.000 1.930 326 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 326 A C 2.286 179.749 177.584 -0.201 0.000 1.175 326 A CA 1.228 53.174 52.037 -0.151 0.000 0.627 326 A CB -0.553 18.394 19.000 -0.088 0.000 0.815 326 A HN 0.387 nan 8.150 nan 0.000 0.443 327 L N -0.490 120.567 121.223 -0.275 0.000 2.046 327 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 327 L C 2.506 179.166 176.870 -0.350 0.000 1.077 327 L CA 1.135 55.802 54.840 -0.288 0.000 0.747 327 L CB -0.887 40.988 42.059 -0.307 0.000 0.896 327 L HN 0.225 nan 8.230 nan 0.000 0.432 328 V N 0.151 119.705 119.914 -0.601 0.000 2.282 328 V HA -0.321 3.799 4.120 -0.000 0.000 0.249 328 V C 2.699 178.638 176.094 -0.258 0.000 1.057 328 V CA 1.925 63.872 62.300 -0.587 0.000 1.032 328 V CB -0.691 30.687 31.823 -0.741 0.000 0.645 328 V HN 0.431 nan 8.190 nan 0.000 0.447 329 R N 0.124 120.474 120.500 -0.250 0.000 2.083 329 R HA -0.148 4.192 4.340 -0.000 0.000 0.237 329 R C 2.486 178.600 176.300 -0.310 0.000 1.137 329 R CA 1.567 57.487 56.100 -0.301 0.000 0.951 329 R CB -0.756 29.446 30.300 -0.163 0.000 0.851 329 R HN 0.537 nan 8.270 nan 0.000 0.434 330 A N 0.588 123.335 122.820 -0.122 0.000 1.908 330 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 330 A C 1.940 179.581 177.584 0.095 0.000 1.181 330 A CA 1.421 53.463 52.037 0.009 0.000 0.627 330 A CB -0.925 18.025 19.000 -0.084 0.000 0.818 330 A HN 0.626 nan 8.150 nan 0.000 0.445 331 W N 0.462 121.676 121.300 -0.143 0.000 2.333 331 W HA -0.159 4.501 4.660 -0.000 0.000 0.316 331 W C 2.532 179.018 176.519 -0.055 0.000 1.215 331 W CA 2.531 59.843 57.345 -0.056 0.000 1.278 331 W CB -0.244 29.145 29.460 -0.117 0.000 1.154 331 W HN 0.367 nan 8.180 nan 0.000 0.486 332 A N -0.515 122.490 122.820 0.309 0.000 1.917 332 A HA -0.309 4.011 4.320 -0.000 0.000 0.219 332 A C 1.849 179.454 177.584 0.035 0.000 1.182 332 A CA 1.911 54.041 52.037 0.156 0.000 0.633 332 A CB -1.713 17.314 19.000 0.045 0.000 0.819 332 A HN 0.600 nan 8.150 nan 0.000 0.448 333 Y N 0.509 120.716 120.300 -0.155 0.000 2.097 333 Y HA -0.218 4.332 4.550 -0.000 0.000 0.282 333 Y C 2.060 177.951 175.900 -0.016 0.000 1.152 333 Y CA 1.794 59.940 58.100 0.077 0.000 1.136 333 Y CB -0.434 38.117 38.460 0.153 0.000 0.975 333 Y HN 0.281 nan 8.280 nan 0.000 0.498 334 I N -0.196 120.300 120.570 -0.124 0.000 2.226 334 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 334 I C 2.210 178.040 176.117 -0.479 0.000 1.100 334 I CA 1.130 62.234 61.300 -0.326 0.000 1.374 334 I CB -0.363 37.484 38.000 -0.254 0.000 1.057 334 I HN 0.121 nan 8.210 nan 0.000 0.413 335 R N 0.263 120.425 120.500 -0.563 0.000 2.237 335 R HA -0.032 4.307 4.340 -0.000 0.000 0.219 335 R C 2.081 178.177 176.300 -0.340 0.000 1.080 335 R CA 0.999 56.738 56.100 -0.601 0.000 0.995 335 R CB -1.052 28.716 30.300 -0.887 0.000 0.875 335 R HN 0.365 nan 8.270 nan 0.000 0.462 336 T N 1.065 115.475 114.554 -0.239 0.000 2.814 336 T HA 0.005 4.355 4.350 -0.000 0.000 0.254 336 T C 1.738 176.329 174.700 -0.180 0.000 1.037 336 T CA 0.666 62.685 62.100 -0.136 0.000 1.143 336 T CB -0.007 68.854 68.868 -0.012 0.000 0.866 336 T HN -0.013 nan 8.240 nan 0.000 0.431 337 L N 0.600 121.658 121.223 -0.275 0.000 2.179 337 L HA 0.321 4.661 4.340 -0.000 0.000 0.208 337 L C 1.639 178.364 176.870 -0.243 0.000 1.096 337 L CA 0.968 55.649 54.840 -0.265 0.000 0.779 337 L CB -1.390 40.441 42.059 -0.379 0.000 0.922 337 L HN 0.527 nan 8.230 nan 0.000 0.443 338 G N -0.711 107.914 108.800 -0.290 0.000 2.804 338 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.230 338 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.230 338 G C 0.523 175.282 174.900 -0.234 0.000 1.386 338 G CA 0.025 44.964 45.100 -0.267 0.000 0.875 338 G HN 0.238 nan 8.290 nan 0.000 0.557 339 L N 0.641 121.739 121.223 -0.208 0.000 2.042 339 L HA 0.007 4.347 4.340 -0.000 0.000 0.210 339 L C 2.885 179.641 176.870 -0.191 0.000 1.076 339 L CA 3.170 57.896 54.840 -0.190 0.000 0.749 339 L CB -0.781 41.171 42.059 -0.177 0.000 0.893 339 L HN 0.952 nan 8.230 nan 0.000 0.432 340 E N -1.422 118.674 120.200 -0.173 0.000 2.150 340 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 340 E C 2.022 178.546 176.600 -0.127 0.000 0.985 340 E CA 1.083 57.389 56.400 -0.156 0.000 0.814 340 E CB -0.812 28.813 29.700 -0.125 0.000 0.752 340 E HN 0.503 nan 8.360 nan 0.000 0.466 341 G N 1.504 110.222 108.800 -0.138 0.000 2.403 341 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.216 341 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.216 341 G C 1.633 176.462 174.900 -0.118 0.000 1.154 341 G CA 0.557 45.583 45.100 -0.124 0.000 0.784 341 G HN 0.167 nan 8.290 nan 0.000 0.538 342 L N -0.059 121.071 121.223 -0.155 0.000 2.072 342 L HA 0.062 4.402 4.340 -0.000 0.000 0.205 342 L C 2.749 179.598 176.870 -0.034 0.000 1.079 342 L CA 1.144 55.916 54.840 -0.113 0.000 0.752 342 L CB -0.299 41.685 42.059 -0.125 0.000 0.906 342 L HN 0.159 nan 8.230 nan 0.000 0.436 343 K N 0.856 121.199 120.400 -0.095 0.000 2.057 343 K HA -0.244 4.076 4.320 -0.000 0.000 0.207 343 K C 2.257 178.970 176.600 0.188 0.000 1.049 343 K CA 1.537 57.752 56.287 -0.120 0.000 0.931 343 K CB 0.030 32.260 32.500 -0.450 0.000 0.714 343 K HN 0.087 nan 8.250 nan 0.000 0.440 344 K N 0.015 120.471 120.400 0.092 0.000 2.097 344 K HA -0.097 4.223 4.320 -0.000 0.000 0.205 344 K C 1.909 178.598 176.600 0.150 0.000 1.050 344 K CA 1.081 57.459 56.287 0.151 0.000 0.938 344 K CB -0.106 32.430 32.500 0.061 0.000 0.718 344 K HN 0.193 nan 8.250 nan 0.000 0.442 345 A N 1.285 124.169 122.820 0.107 0.000 1.877 345 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 345 A C 2.370 180.030 177.584 0.125 0.000 1.186 345 A CA 1.922 54.021 52.037 0.103 0.000 0.620 345 A CB -0.937 18.117 19.000 0.089 0.000 0.822 345 A HN 0.482 nan 8.150 nan 0.000 0.443 346 A N -0.098 122.825 122.820 0.173 0.000 1.883 346 A HA 0.093 4.413 4.320 -0.000 0.000 0.217 346 A C 2.553 180.202 177.584 0.109 0.000 1.186 346 A CA 2.464 54.604 52.037 0.172 0.000 0.624 346 A CB -1.189 17.999 19.000 0.313 0.000 0.822 346 A HN 1.148 nan 8.150 nan 0.000 0.444 347 A N -0.313 122.617 122.820 0.183 0.000 1.883 347 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 347 A C 2.144 179.733 177.584 0.008 0.000 1.186 347 A CA 1.656 53.692 52.037 -0.003 0.000 0.624 347 A CB -0.671 18.422 19.000 0.156 0.000 0.822 347 A HN 0.491 nan 8.150 nan 0.000 0.444 348 L N -1.052 120.209 121.223 0.063 0.000 2.291 348 L HA -0.095 4.245 4.340 -0.000 0.000 0.214 348 L C 2.928 179.835 176.870 0.060 0.000 1.120 348 L CA 0.655 55.524 54.840 0.047 0.000 0.799 348 L CB -0.458 41.632 42.059 0.052 0.000 0.925 348 L HN 0.466 nan 8.230 nan 0.000 0.446 349 A N -0.312 122.555 122.820 0.078 0.000 1.929 349 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 349 A C 2.295 179.946 177.584 0.113 0.000 1.176 349 A CA 1.188 53.288 52.037 0.104 0.000 0.628 349 A CB -0.482 18.587 19.000 0.115 0.000 0.816 349 A HN 0.167 nan 8.150 nan 0.000 0.444 350 V N -0.332 119.627 119.914 0.074 0.000 2.379 350 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 350 V C 2.445 178.572 176.094 0.053 0.000 1.044 350 V CA 1.723 64.060 62.300 0.062 0.000 1.036 350 V CB -0.615 31.193 31.823 -0.025 0.000 0.664 350 V HN 0.562 nan 8.190 nan 0.000 0.453 351 L N 0.874 122.113 121.223 0.027 0.000 2.046 351 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 351 L C 2.128 179.052 176.870 0.090 0.000 1.077 351 L CA 1.948 56.807 54.840 0.031 0.000 0.747 351 L CB -1.024 41.030 42.059 -0.008 0.000 0.896 351 L HN 0.294 nan 8.230 nan 0.000 0.432 352 N N 0.053 118.812 118.700 0.099 0.000 2.120 352 N HA -0.132 4.607 4.740 -0.000 0.000 0.188 352 N C 1.811 177.454 175.510 0.221 0.000 1.024 352 N CA 1.632 54.775 53.050 0.154 0.000 0.852 352 N CB -0.500 38.065 38.487 0.131 0.000 1.003 352 N HN 0.529 nan 8.380 nan 0.000 0.424 353 A N 0.677 123.620 122.820 0.205 0.000 1.873 353 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 353 A C 2.245 179.946 177.584 0.196 0.000 1.186 353 A CA 1.215 53.427 52.037 0.292 0.000 0.616 353 A CB -0.461 18.697 19.000 0.263 0.000 0.823 353 A HN 0.209 nan 8.150 nan 0.000 0.442 354 R N -2.175 118.390 120.500 0.109 0.000 2.096 354 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 354 R C 2.031 178.330 176.300 -0.002 0.000 1.127 354 R CA 1.790 57.895 56.100 0.009 0.000 0.968 354 R CB -0.407 29.908 30.300 0.024 0.000 0.861 354 R HN 0.645 nan 8.270 nan 0.000 0.440 355 Y N 0.423 120.698 120.300 -0.041 0.000 2.184 355 Y HA -0.168 4.382 4.550 -0.000 0.000 0.290 355 Y C 1.820 177.693 175.900 -0.046 0.000 1.129 355 Y CA 1.319 59.394 58.100 -0.041 0.000 1.144 355 Y CB -0.310 38.142 38.460 -0.013 0.000 0.995 355 Y HN 0.096 nan 8.280 nan 0.000 0.513 356 L N 1.214 122.461 121.223 0.041 0.000 2.131 356 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 356 L C 2.359 179.124 176.870 -0.176 0.000 1.092 356 L CA 1.930 56.779 54.840 0.015 0.000 0.759 356 L CB -0.942 41.301 42.059 0.307 0.000 0.903 356 L HN 0.249 nan 8.230 nan 0.000 0.435 357 K N -0.821 119.266 120.400 -0.522 0.000 2.057 357 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 357 K C 1.916 178.209 176.600 -0.512 0.000 1.049 357 K CA 1.447 57.079 56.287 -1.093 0.000 0.931 357 K CB -0.009 31.704 32.500 -1.312 0.000 0.714 357 K HN 0.302 nan 8.250 nan 0.000 0.440 358 E N 0.933 120.908 120.200 -0.375 0.000 2.077 358 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 358 E C 2.107 178.544 176.600 -0.272 0.000 0.989 358 E CA 0.944 57.176 56.400 -0.280 0.000 0.800 358 E CB -0.179 29.372 29.700 -0.249 0.000 0.746 358 E HN 0.385 nan 8.360 nan 0.000 0.452 359 L N 0.044 121.060 121.223 -0.345 0.000 2.046 359 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 359 L C 2.375 179.144 176.870 -0.168 0.000 1.077 359 L CA 0.542 55.215 54.840 -0.279 0.000 0.747 359 L CB -0.338 41.532 42.059 -0.315 0.000 0.896 359 L HN 0.136 nan 8.230 nan 0.000 0.432 360 L N -0.174 120.957 121.223 -0.153 0.000 2.093 360 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 360 L C 2.445 179.322 176.870 0.013 0.000 1.085 360 L CA 1.669 56.446 54.840 -0.105 0.000 0.755 360 L CB -0.644 41.353 42.059 -0.103 0.000 0.904 360 L HN 0.109 nan 8.230 nan 0.000 0.435 361 K N -0.576 119.791 120.400 -0.055 0.000 2.147 361 K HA -0.148 4.172 4.320 -0.000 0.000 0.205 361 K C 1.854 178.438 176.600 -0.027 0.000 1.049 361 K CA 1.197 57.469 56.287 -0.025 0.000 0.936 361 K CB -0.035 32.416 32.500 -0.082 0.000 0.722 361 K HN 0.410 nan 8.250 nan 0.000 0.446 362 E N 0.365 120.530 120.200 -0.058 0.000 2.274 362 E HA -0.082 4.268 4.350 -0.000 0.000 0.194 362 E C 1.243 177.823 176.600 -0.034 0.000 0.996 362 E CA 0.563 56.929 56.400 -0.057 0.000 0.840 362 E CB 0.251 29.901 29.700 -0.083 0.000 0.772 362 E HN 0.069 nan 8.360 nan 0.000 0.491 363 K N -0.287 120.115 120.400 0.003 0.000 2.487 363 K HA 0.059 4.379 4.320 -0.000 0.000 0.192 363 K C 1.062 177.683 176.600 0.036 0.000 1.027 363 K CA 0.652 56.961 56.287 0.036 0.000 1.054 363 K CB 0.894 33.437 32.500 0.072 0.000 0.824 363 K HN 0.282 nan 8.250 nan 0.000 0.510 364 G N 0.530 109.334 108.800 0.006 0.000 2.179 364 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 364 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 364 G C -0.291 174.490 174.900 -0.199 0.000 0.990 364 G CA -0.393 44.635 45.100 -0.119 0.000 0.646 364 G HN 0.197 nan 8.290 nan 0.000 0.517 365 Y N 0.857 121.098 120.300 -0.099 0.000 2.307 365 Y HA 0.696 5.246 4.550 -0.000 0.000 0.324 365 Y C 1.370 177.241 175.900 -0.048 0.000 1.238 365 Y CA -0.403 57.654 58.100 -0.072 0.000 1.280 365 Y CB 0.670 39.102 38.460 -0.047 0.000 1.248 365 Y HN 0.114 nan 8.280 nan 0.000 0.508 366 R N 0.626 121.184 120.500 0.096 0.000 2.598 366 R HA 0.688 5.028 4.340 -0.000 0.000 0.279 366 R C -1.459 174.883 176.300 0.069 0.000 0.984 366 R CA -0.953 55.174 56.100 0.044 0.000 0.999 366 R CB 1.453 31.754 30.300 0.003 0.000 1.114 366 R HN 0.376 nan 8.270 nan 0.000 0.493 367 V N 4.168 124.098 119.914 0.026 0.000 2.380 367 V HA 0.146 4.266 4.120 -0.000 0.000 0.272 367 V C -1.368 174.711 176.094 -0.026 0.000 1.011 367 V CA -1.202 61.122 62.300 0.040 0.000 0.826 367 V CB 1.320 33.159 31.823 0.027 0.000 1.040 367 V HN 0.798 nan 8.190 nan 0.000 0.441 368 P HA -0.170 nan 4.420 nan 0.000 0.216 368 P C -0.083 176.937 177.300 -0.467 0.000 1.154 368 P CA 1.543 64.453 63.100 -0.318 0.000 0.865 368 P CB 0.196 31.657 31.700 -0.398 0.000 0.789 369 Y N 0.906 121.223 120.300 0.029 0.000 2.646 369 Y HA 0.276 4.826 4.550 -0.000 0.000 0.334 369 Y C 0.100 176.021 175.900 0.034 0.000 1.004 369 Y CA -1.591 56.525 58.100 0.028 0.000 1.301 369 Y CB 0.538 39.013 38.460 0.025 0.000 1.093 369 Y HN -0.047 nan 8.280 nan 0.000 0.530 370 D N 1.170 121.647 120.400 0.128 0.000 2.517 370 D HA 0.313 4.953 4.640 -0.000 0.000 0.301 370 D C 0.409 176.745 176.300 0.061 0.000 1.202 370 D CA -0.254 53.794 54.000 0.080 0.000 0.910 370 D CB 0.505 41.316 40.800 0.017 0.000 1.021 370 D HN 0.587 nan 8.370 nan 0.000 0.499 371 G N 1.409 110.260 108.800 0.086 0.000 2.543 371 G HA2 0.438 4.398 3.960 -0.000 0.000 0.290 371 G HA3 0.438 4.398 3.960 -0.000 0.000 0.290 371 G C -2.264 172.666 174.900 0.051 0.000 1.310 371 G CA -1.343 43.797 45.100 0.066 0.000 1.025 371 G HN 0.264 nan 8.290 nan 0.000 0.502 372 P HA 0.051 nan 4.420 nan 0.000 0.260 372 P C -0.006 177.324 177.300 0.050 0.000 1.185 372 P CA 0.242 63.357 63.100 0.024 0.000 0.763 372 P CB 0.877 32.581 31.700 0.007 0.000 0.776 373 S N 3.638 119.363 115.700 0.041 0.000 2.580 373 S HA 0.356 4.826 4.470 -0.000 0.000 0.274 373 S C 0.832 175.489 174.600 0.094 0.000 1.329 373 S CA -0.605 57.644 58.200 0.082 0.000 1.036 373 S CB 0.015 63.253 63.200 0.063 0.000 0.919 373 S HN 0.223 nan 8.310 nan 0.000 0.515 374 M N 2.528 122.216 119.600 0.148 0.000 2.313 374 M HA 0.232 4.712 4.480 -0.000 0.000 0.212 374 M C 1.818 178.244 176.300 0.209 0.000 1.345 374 M CA 0.232 55.637 55.300 0.175 0.000 1.877 374 M CB -1.729 31.028 32.600 0.262 0.000 1.110 374 M HN 0.941 nan 8.290 nan 0.000 0.906 375 H N 0.727 119.846 119.070 0.081 0.000 2.547 375 H HA 0.178 4.734 4.556 -0.000 0.000 0.272 375 H C -0.262 175.120 175.328 0.090 0.000 0.989 375 H CA 0.661 56.754 56.048 0.075 0.000 1.214 375 H CB 0.024 29.814 29.762 0.048 0.000 1.389 375 H HN 0.621 nan 8.280 nan 0.000 0.577 376 E N -0.094 119.896 120.200 -0.351 0.000 2.458 376 E HA 0.521 4.871 4.350 -0.000 0.000 0.278 376 E C -1.322 175.277 176.600 -0.002 0.000 1.004 376 E CA -1.229 54.979 56.400 -0.320 0.000 0.823 376 E CB 2.110 31.431 29.700 -0.632 0.000 1.396 376 E HN 0.131 nan 8.360 nan 0.000 0.463 377 F N -2.006 117.884 119.950 -0.099 0.000 2.693 377 F HA 0.654 5.181 4.527 -0.000 0.000 0.309 377 F C -1.992 173.792 175.800 -0.027 0.000 1.129 377 F CA -1.203 56.774 58.000 -0.037 0.000 0.948 377 F CB 1.188 40.180 39.000 -0.013 0.000 1.315 377 F HN 0.234 nan 8.300 nan 0.000 0.447 378 V N 2.338 122.362 119.914 0.183 0.000 2.357 378 V HA 0.844 4.964 4.120 -0.000 0.000 0.284 378 V C 0.083 176.302 176.094 0.208 0.000 1.018 378 V CA -0.227 62.119 62.300 0.077 0.000 0.841 378 V CB 0.601 32.453 31.823 0.049 0.000 0.991 378 V HN 1.197 nan 8.190 nan 0.000 0.437 379 A N 4.881 127.804 122.820 0.172 0.000 2.313 379 A HA 0.933 5.253 4.320 -0.000 0.000 0.323 379 A C -0.643 177.024 177.584 0.139 0.000 1.133 379 A CA -0.708 51.460 52.037 0.217 0.000 0.847 379 A CB 1.593 20.782 19.000 0.315 0.000 1.308 379 A HN 0.758 nan 8.150 nan 0.000 0.475 380 Q N 0.294 120.192 119.800 0.164 0.000 2.389 380 Q HA 0.480 4.820 4.340 -0.000 0.000 0.277 380 Q C -2.769 173.320 176.000 0.147 0.000 1.082 380 Q CA -1.975 53.901 55.803 0.121 0.000 0.810 380 Q CB 2.949 31.723 28.738 0.059 0.000 1.374 380 Q HN 0.574 nan 8.270 nan 0.000 0.422 381 P HA 0.223 nan 4.420 nan 0.000 0.276 381 P C -2.589 174.649 177.300 -0.104 0.000 1.252 381 P CA -1.552 61.467 63.100 -0.135 0.000 0.802 381 P CB 0.222 31.901 31.700 -0.035 0.000 1.035 382 P HA 0.046 nan 4.420 nan 0.000 0.271 382 P C 0.161 177.558 177.300 0.161 0.000 1.233 382 P CA 0.120 63.202 63.100 -0.029 0.000 0.789 382 P CB 0.449 32.103 31.700 -0.076 0.000 0.951 383 E N 0.113 120.373 120.200 0.101 0.000 2.481 383 E HA 0.088 4.438 4.350 -0.000 0.000 0.263 383 E C 1.380 178.025 176.600 0.076 0.000 0.992 383 E CA 1.749 58.197 56.400 0.081 0.000 0.938 383 E CB -0.155 29.564 29.700 0.031 0.000 0.933 383 E HN 0.845 nan 8.360 nan 0.000 0.453 384 G N 2.768 111.561 108.800 -0.012 0.000 2.232 384 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.226 384 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.226 384 G C -0.088 174.583 174.900 -0.381 0.000 0.996 384 G CA -0.220 44.749 45.100 -0.218 0.000 0.626 384 G HN 0.364 nan 8.290 nan 0.000 0.509 385 F N 1.637 121.582 119.950 -0.009 0.000 2.480 385 F HA 0.737 5.264 4.527 -0.000 0.000 0.329 385 F C 0.893 176.712 175.800 0.032 0.000 1.091 385 F CA -0.894 57.109 58.000 0.005 0.000 0.972 385 F CB 1.347 40.330 39.000 -0.027 0.000 1.150 385 F HN -0.129 nan 8.300 nan 0.000 0.467 386 R N 1.425 122.059 120.500 0.222 0.000 2.294 386 R HA 0.531 4.871 4.340 -0.000 0.000 0.319 386 R C 0.685 177.092 176.300 0.179 0.000 0.984 386 R CA -0.462 55.756 56.100 0.196 0.000 0.861 386 R CB 1.608 32.015 30.300 0.177 0.000 1.104 386 R HN 0.893 nan 8.270 nan 0.000 0.451 387 A N 3.554 126.431 122.820 0.096 0.000 1.958 387 A HA -0.228 4.092 4.320 -0.000 0.000 0.221 387 A C 1.946 179.542 177.584 0.021 0.000 1.178 387 A CA 1.591 53.603 52.037 -0.040 0.000 0.642 387 A CB -0.403 18.371 19.000 -0.377 0.000 0.816 387 A HN 0.706 nan 8.150 nan 0.000 0.453 388 L N 0.295 121.616 121.223 0.163 0.000 1.990 388 L HA -0.230 4.110 4.340 -0.000 0.000 0.213 388 L C 1.692 178.633 176.870 0.119 0.000 1.072 388 L CA 2.831 57.801 54.840 0.217 0.000 0.755 388 L CB -0.840 41.396 42.059 0.296 0.000 0.889 388 L HN 0.406 nan 8.230 nan 0.000 0.432 389 D N -0.445 120.030 120.400 0.126 0.000 2.117 389 D HA -0.154 4.486 4.640 -0.000 0.000 0.198 389 D C 2.348 178.720 176.300 0.121 0.000 0.982 389 D CA 1.698 55.762 54.000 0.107 0.000 0.828 389 D CB -0.132 40.750 40.800 0.137 0.000 0.967 389 D HN 0.423 nan 8.370 nan 0.000 0.464 390 L N 0.924 122.233 121.223 0.142 0.000 2.131 390 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 390 L C 2.614 179.536 176.870 0.086 0.000 1.092 390 L CA 0.911 55.832 54.840 0.135 0.000 0.759 390 L CB -0.386 41.753 42.059 0.134 0.000 0.903 390 L HN -0.031 nan 8.230 nan 0.000 0.435 391 A N -0.069 122.784 122.820 0.054 0.000 1.877 391 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 391 A C 2.289 179.874 177.584 0.001 0.000 1.186 391 A CA 1.353 53.400 52.037 0.017 0.000 0.620 391 A CB -0.253 18.748 19.000 0.001 0.000 0.822 391 A HN 0.183 nan 8.150 nan 0.000 0.443 392 K N -0.302 120.096 120.400 -0.002 0.000 2.147 392 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 392 K C 2.016 178.598 176.600 -0.029 0.000 1.049 392 K CA 1.233 57.489 56.287 -0.050 0.000 0.936 392 K CB -1.010 31.435 32.500 -0.092 0.000 0.722 392 K HN 0.481 nan 8.250 nan 0.000 0.446 393 G N 1.177 110.017 108.800 0.065 0.000 2.403 393 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 393 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 393 G C 1.524 176.563 174.900 0.231 0.000 1.154 393 G CA 0.120 45.351 45.100 0.217 0.000 0.784 393 G HN 0.105 nan 8.290 nan 0.000 0.538 394 L N 0.212 121.525 121.223 0.151 0.000 2.012 394 L HA 0.008 4.348 4.340 -0.000 0.000 0.210 394 L C 2.757 179.735 176.870 0.180 0.000 1.073 394 L CA 1.066 56.011 54.840 0.175 0.000 0.748 394 L CB -0.824 41.311 42.059 0.127 0.000 0.891 394 L HN 0.079 nan 8.230 nan 0.000 0.431 395 L N -0.616 120.646 121.223 0.065 0.000 2.043 395 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 395 L C 2.618 179.520 176.870 0.053 0.000 1.075 395 L CA 1.740 56.584 54.840 0.007 0.000 0.752 395 L CB -1.103 40.916 42.059 -0.066 0.000 0.891 395 L HN 0.358 nan 8.230 nan 0.000 0.432 396 E N -0.690 119.567 120.200 0.095 0.000 2.150 396 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 396 E C 1.727 178.450 176.600 0.206 0.000 0.985 396 E CA 0.917 57.410 56.400 0.156 0.000 0.814 396 E CB -0.170 29.670 29.700 0.233 0.000 0.752 396 E HN 0.231 nan 8.360 nan 0.000 0.466 397 L N -0.240 121.133 121.223 0.249 0.000 2.627 397 L HA 0.289 4.629 4.340 -0.000 0.000 0.233 397 L C 1.436 178.385 176.870 0.132 0.000 1.144 397 L CA 1.063 56.059 54.840 0.260 0.000 0.892 397 L CB -0.346 41.933 42.059 0.366 0.000 1.039 397 L HN 0.358 nan 8.230 nan 0.000 0.442 398 G N -1.700 107.120 108.800 0.034 0.000 2.143 398 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.248 398 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.248 398 G C 0.227 174.942 174.900 -0.308 0.000 0.991 398 G CA 0.109 45.112 45.100 -0.161 0.000 0.689 398 G HN 0.239 nan 8.290 nan 0.000 0.522 399 F N -0.513 119.508 119.950 0.118 0.000 2.594 399 F HA 0.707 5.234 4.527 -0.000 0.000 0.335 399 F C 0.536 176.384 175.800 0.081 0.000 1.058 399 F CA -1.169 56.942 58.000 0.185 0.000 0.981 399 F CB 1.381 40.603 39.000 0.370 0.000 1.289 399 F HN 0.063 nan 8.300 nan 0.000 0.490 400 H N 3.036 122.179 119.070 0.122 0.000 2.459 400 H HA 0.357 4.913 4.556 -0.000 0.000 0.332 400 H C -2.687 172.606 175.328 -0.058 0.000 1.094 400 H CA -2.230 53.725 56.048 -0.156 0.000 1.224 400 H CB 2.097 31.450 29.762 -0.681 0.000 1.449 400 H HN 0.235 nan 8.280 nan 0.000 0.484 401 P HA 0.108 nan 4.420 nan 0.000 0.272 401 P C -2.732 174.628 177.300 0.100 0.000 1.240 401 P CA -1.107 62.029 63.100 0.061 0.000 0.791 401 P CB 0.697 32.370 31.700 -0.046 0.000 0.978 402 P HA 0.109 nan 4.420 nan 0.000 0.302 402 P C -0.238 177.066 177.300 0.007 0.000 1.307 402 P CA -0.148 62.924 63.100 -0.046 0.000 0.754 402 P CB 0.021 31.658 31.700 -0.105 0.000 1.298 403 T N 0.149 114.700 114.554 -0.005 0.000 2.916 403 T HA 0.279 4.629 4.350 -0.000 0.000 0.303 403 T C 0.277 174.998 174.700 0.035 0.000 1.025 403 T CA -0.056 62.077 62.100 0.055 0.000 1.142 403 T CB -0.246 68.680 68.868 0.096 0.000 0.947 403 T HN 0.300 nan 8.240 nan 0.000 0.544 404 V N 2.054 122.000 119.914 0.054 0.000 2.715 404 V HA 0.541 4.661 4.120 -0.000 0.000 0.310 404 V C -0.521 175.616 176.094 0.071 0.000 1.054 404 V CA -1.119 61.145 62.300 -0.059 0.000 0.928 404 V CB 0.729 32.469 31.823 -0.137 0.000 1.007 404 V HN 0.892 nan 8.190 nan 0.000 0.437 405 Y N 1.383 121.749 120.300 0.110 0.000 4.032 405 Y HA -0.147 4.403 4.550 -0.000 0.000 0.230 405 Y C -0.430 175.584 175.900 0.189 0.000 1.202 405 Y CA 1.473 59.642 58.100 0.115 0.000 1.878 405 Y CB -2.066 36.450 38.460 0.093 0.000 1.586 405 Y HN 0.918 nan 8.280 nan 0.000 0.673 406 F N 1.163 121.152 119.950 0.065 0.000 2.635 406 F HA 0.652 5.179 4.527 -0.000 0.000 0.314 406 F C -2.786 173.021 175.800 0.012 0.000 1.119 406 F CA -2.470 55.548 58.000 0.029 0.000 1.000 406 F CB 1.851 40.856 39.000 0.009 0.000 1.278 406 F HN -0.253 nan 8.300 nan 0.000 0.446 407 P HA 0.167 nan 4.420 nan 0.000 0.272 407 P C 0.840 177.943 177.300 -0.328 0.000 1.223 407 P CA -0.139 62.252 63.100 -1.181 0.000 0.784 407 P CB 1.312 32.461 31.700 -0.918 0.000 0.923 408 L N 2.021 123.156 121.223 -0.146 0.000 2.191 408 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 408 L C 2.307 179.188 176.870 0.019 0.000 1.103 408 L CA 1.334 56.189 54.840 0.025 0.000 0.769 408 L CB -0.885 41.216 42.059 0.071 0.000 0.908 408 L HN 0.422 nan 8.230 nan 0.000 0.438 409 I N -2.973 117.589 120.570 -0.013 0.000 3.083 409 I HA -0.030 4.140 4.170 -0.000 0.000 0.273 409 I C 0.423 176.598 176.117 0.095 0.000 1.297 409 I CA 0.408 61.736 61.300 0.047 0.000 1.452 409 I CB -0.227 37.803 38.000 0.048 0.000 1.078 409 I HN -0.132 nan 8.210 nan 0.000 0.484 410 V N 3.142 123.095 119.914 0.065 0.000 2.376 410 V HA 0.230 4.350 4.120 -0.000 0.000 0.287 410 V C -0.115 176.019 176.094 0.066 0.000 1.015 410 V CA -0.907 61.434 62.300 0.070 0.000 0.834 410 V CB 1.471 33.335 31.823 0.068 0.000 1.001 410 V HN 0.360 nan 8.190 nan 0.000 0.428 411 K N 3.365 123.808 120.400 0.072 0.000 2.382 411 K HA 0.346 4.666 4.320 -0.000 0.000 0.275 411 K C 0.384 177.047 176.600 0.104 0.000 1.009 411 K CA 0.011 56.362 56.287 0.106 0.000 0.970 411 K CB 0.425 32.978 32.500 0.089 0.000 0.934 411 K HN 0.475 nan 8.250 nan 0.000 0.479 412 E N -0.256 120.046 120.200 0.170 0.000 2.722 412 E HA -0.248 4.102 4.350 -0.000 0.000 0.265 412 E C -0.726 175.820 176.600 -0.090 0.000 1.081 412 E CA 0.991 57.428 56.400 0.061 0.000 0.781 412 E CB -1.681 28.079 29.700 0.100 0.000 1.372 412 E HN 0.806 nan 8.360 nan 0.000 0.423 413 A N 0.217 122.995 122.820 -0.070 0.000 2.498 413 A HA 0.421 4.741 4.320 -0.000 0.000 0.239 413 A C 0.151 177.653 177.584 -0.137 0.000 1.068 413 A CA 0.426 52.422 52.037 -0.068 0.000 0.766 413 A CB 0.386 19.370 19.000 -0.026 0.000 1.003 413 A HN 0.258 nan 8.150 nan 0.000 0.497 414 L N 3.013 124.189 121.223 -0.078 0.000 2.388 414 L HA 0.366 4.706 4.340 -0.000 0.000 0.267 414 L C -0.086 176.703 176.870 -0.135 0.000 0.995 414 L CA 0.027 54.809 54.840 -0.096 0.000 0.864 414 L CB 1.389 43.413 42.059 -0.058 0.000 1.216 414 L HN 0.832 nan 8.230 nan 0.000 0.430 415 M N 4.615 124.139 119.600 -0.126 0.000 2.151 415 M HA 0.373 4.853 4.480 -0.000 0.000 0.349 415 M C -1.115 175.014 176.300 -0.285 0.000 1.284 415 M CA -0.499 54.693 55.300 -0.180 0.000 1.173 415 M CB 0.688 33.268 32.600 -0.034 0.000 1.469 415 M HN 0.278 nan 8.290 nan 0.000 0.439 416 V N 4.964 124.538 119.914 -0.567 0.000 2.370 416 V HA 0.374 4.494 4.120 -0.000 0.000 0.279 416 V C -0.173 175.603 176.094 -0.530 0.000 1.029 416 V CA -0.476 61.448 62.300 -0.627 0.000 0.870 416 V CB 1.303 32.563 31.823 -0.938 0.000 0.984 416 V HN 0.760 nan 8.190 nan 0.000 0.451 417 E N 7.357 127.362 120.200 -0.325 0.000 2.460 417 E HA 0.338 4.688 4.350 -0.000 0.000 0.249 417 E C -2.098 174.429 176.600 -0.122 0.000 0.962 417 E CA -1.653 54.623 56.400 -0.206 0.000 0.787 417 E CB 2.657 32.250 29.700 -0.179 0.000 1.341 417 E HN 0.440 nan 8.360 nan 0.000 0.407 418 P HA -0.083 nan 4.420 nan 0.000 0.227 418 P C 0.174 177.579 177.300 0.175 0.000 1.161 418 P CA 0.930 64.131 63.100 0.167 0.000 0.788 418 P CB -0.086 31.793 31.700 0.297 0.000 0.822 419 T N -0.989 113.637 114.554 0.120 0.000 0.541 419 T HA -0.147 4.203 4.350 -0.000 0.000 0.774 419 T C 0.958 175.732 174.700 0.123 0.000 0.992 419 T CA 0.566 62.736 62.100 0.116 0.000 4.077 419 T CB -1.311 67.615 68.868 0.097 0.000 2.303 419 T HN 0.368 nan 8.240 nan 0.000 0.398 420 E N 0.693 120.958 120.200 0.108 0.000 2.347 420 E HA -0.074 4.276 4.350 -0.000 0.000 0.196 420 E C 1.745 178.401 176.600 0.093 0.000 1.008 420 E CA 1.731 58.189 56.400 0.097 0.000 0.852 420 E CB -0.871 28.886 29.700 0.095 0.000 0.783 420 E HN 1.098 nan 8.360 nan 0.000 0.505 421 T N -1.347 113.274 114.554 0.112 0.000 3.100 421 T HA 0.060 4.410 4.350 -0.000 0.000 0.253 421 T C 0.577 175.324 174.700 0.078 0.000 1.118 421 T CA -0.172 61.993 62.100 0.108 0.000 1.058 421 T CB 0.114 69.080 68.868 0.163 0.000 0.953 421 T HN -0.082 nan 8.240 nan 0.000 0.515 422 E N 1.789 122.041 120.200 0.087 0.000 2.283 422 E HA 0.608 4.958 4.350 -0.000 0.000 0.278 422 E C -0.049 176.536 176.600 -0.024 0.000 1.027 422 E CA -0.329 56.090 56.400 0.032 0.000 0.843 422 E CB 1.440 31.173 29.700 0.055 0.000 1.062 422 E HN 0.479 nan 8.360 nan 0.000 0.401 423 A N 2.675 125.457 122.820 -0.063 0.000 2.351 423 A HA 0.076 4.396 4.320 -0.000 0.000 0.257 423 A C 1.390 178.931 177.584 -0.071 0.000 1.087 423 A CA -0.156 51.845 52.037 -0.061 0.000 0.798 423 A CB 0.448 19.414 19.000 -0.056 0.000 1.033 423 A HN 0.722 nan 8.150 nan 0.000 0.488 424 K N 0.512 120.872 120.400 -0.066 0.000 2.044 424 K HA -0.213 4.107 4.320 -0.000 0.000 0.210 424 K C 1.733 178.333 176.600 -0.000 0.000 1.049 424 K CA 2.087 58.335 56.287 -0.065 0.000 0.927 424 K CB -0.077 32.340 32.500 -0.138 0.000 0.713 424 K HN 0.856 nan 8.250 nan 0.000 0.443 425 E N -0.249 119.942 120.200 -0.015 0.000 2.268 425 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 425 E C 1.517 178.115 176.600 -0.002 0.000 0.995 425 E CA 1.458 57.863 56.400 0.008 0.000 0.836 425 E CB -0.415 29.286 29.700 0.002 0.000 0.763 425 E HN 0.248 nan 8.360 nan 0.000 0.491 426 T N 1.958 116.475 114.554 -0.061 0.000 2.857 426 T HA 0.050 4.400 4.350 -0.000 0.000 0.266 426 T C 2.069 176.639 174.700 -0.216 0.000 1.048 426 T CA 0.878 62.897 62.100 -0.136 0.000 1.139 426 T CB -0.144 68.562 68.868 -0.270 0.000 0.874 426 T HN 0.107 nan 8.240 nan 0.000 0.455 427 L N 0.849 121.970 121.223 -0.171 0.000 2.046 427 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 427 L C 2.680 179.585 176.870 0.059 0.000 1.077 427 L CA 1.491 56.298 54.840 -0.055 0.000 0.747 427 L CB -0.661 41.472 42.059 0.124 0.000 0.896 427 L HN 0.338 nan 8.230 nan 0.000 0.432 428 E N 0.489 120.732 120.200 0.072 0.000 2.051 428 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 428 E C 2.356 178.957 176.600 0.002 0.000 0.991 428 E CA 1.163 57.591 56.400 0.046 0.000 0.799 428 E CB -0.258 29.488 29.700 0.077 0.000 0.748 428 E HN 0.500 nan 8.360 nan 0.000 0.449 429 A N 1.309 124.146 122.820 0.029 0.000 1.908 429 A HA -0.212 4.107 4.320 -0.000 0.000 0.218 429 A C 2.019 179.511 177.584 -0.154 0.000 1.181 429 A CA 1.310 53.382 52.037 0.059 0.000 0.627 429 A CB -0.776 18.363 19.000 0.232 0.000 0.818 429 A HN 0.322 nan 8.150 nan 0.000 0.445 430 F N 0.998 120.698 119.950 -0.416 0.000 2.102 430 F HA -0.070 4.457 4.527 -0.000 0.000 0.298 430 F C 2.536 178.085 175.800 -0.419 0.000 1.105 430 F CA 1.199 58.777 58.000 -0.704 0.000 1.239 430 F CB -0.589 38.252 39.000 -0.265 0.000 0.991 430 F HN 0.246 nan 8.300 nan 0.000 0.474 431 A N 0.287 122.976 122.820 -0.219 0.000 1.940 431 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 431 A C 2.303 179.718 177.584 -0.283 0.000 1.176 431 A CA 1.845 53.721 52.037 -0.268 0.000 0.631 431 A CB -1.123 17.802 19.000 -0.124 0.000 0.814 431 A HN 0.632 nan 8.150 nan 0.000 0.446 432 E N 0.392 120.465 120.200 -0.212 0.000 2.085 432 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 432 E C 2.070 178.558 176.600 -0.187 0.000 0.994 432 E CA 1.398 57.709 56.400 -0.149 0.000 0.801 432 E CB -0.356 29.299 29.700 -0.075 0.000 0.743 432 E HN 0.481 nan 8.360 nan 0.000 0.453 433 A N 1.339 123.978 122.820 -0.302 0.000 1.898 433 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 433 A C 2.292 179.695 177.584 -0.302 0.000 1.181 433 A CA 1.637 53.510 52.037 -0.274 0.000 0.620 433 A CB -0.403 18.344 19.000 -0.421 0.000 0.819 433 A HN 0.282 nan 8.150 nan 0.000 0.442 434 M N -0.441 118.856 119.600 -0.506 0.000 2.159 434 M HA -0.107 4.373 4.480 -0.000 0.000 0.263 434 M C 2.258 178.517 176.300 -0.068 0.000 1.063 434 M CA 1.512 56.572 55.300 -0.400 0.000 1.110 434 M CB -1.679 30.477 32.600 -0.740 0.000 1.374 434 M HN 0.496 nan 8.290 nan 0.000 0.411 435 G N -0.336 108.409 108.800 -0.091 0.000 2.394 435 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.214 435 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.214 435 G C 1.627 176.483 174.900 -0.073 0.000 1.176 435 G CA 0.916 46.001 45.100 -0.024 0.000 0.786 435 G HN 0.533 nan 8.290 nan 0.000 0.533 436 A N 0.446 123.212 122.820 -0.090 0.000 2.019 436 A HA 0.108 4.428 4.320 -0.000 0.000 0.219 436 A C 2.381 179.904 177.584 -0.102 0.000 1.164 436 A CA 1.053 53.031 52.037 -0.097 0.000 0.644 436 A CB -0.320 18.624 19.000 -0.093 0.000 0.805 436 A HN 0.370 nan 8.150 nan 0.000 0.449 437 L N -0.786 120.396 121.223 -0.068 0.000 2.093 437 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 437 L C 2.213 179.057 176.870 -0.043 0.000 1.085 437 L CA 0.816 55.649 54.840 -0.012 0.000 0.755 437 L CB -0.415 41.677 42.059 0.056 0.000 0.904 437 L HN 0.368 nan 8.230 nan 0.000 0.435 438 L N -0.339 120.774 121.223 -0.183 0.000 2.456 438 L HA -0.167 4.173 4.340 -0.000 0.000 0.224 438 L C 1.966 178.777 176.870 -0.098 0.000 1.148 438 L CA 1.031 55.634 54.840 -0.395 0.000 0.825 438 L CB -0.333 41.376 42.059 -0.583 0.000 0.937 438 L HN 0.277 nan 8.230 nan 0.000 0.450 439 K N -0.690 119.675 120.400 -0.059 0.000 2.353 439 K HA 0.078 4.398 4.320 -0.000 0.000 0.195 439 K C 0.404 176.992 176.600 -0.020 0.000 1.031 439 K CA -0.161 56.110 56.287 -0.028 0.000 1.079 439 K CB 0.415 32.875 32.500 -0.067 0.000 0.857 439 K HN -0.040 nan 8.250 nan 0.000 0.535 440 K N 2.534 122.922 120.400 -0.020 0.000 2.326 440 K HA 0.107 4.427 4.320 -0.000 0.000 0.275 440 K C -2.361 174.304 176.600 0.109 0.000 1.018 440 K CA -1.946 54.309 56.287 -0.054 0.000 0.962 440 K CB 0.276 32.714 32.500 -0.105 0.000 0.953 440 K HN -0.076 nan 8.250 nan 0.000 0.475 441 P HA 0.003 nan 4.420 nan 0.000 0.269 441 P C -0.495 176.929 177.300 0.207 0.000 1.215 441 P CA -0.076 63.107 63.100 0.137 0.000 0.780 441 P CB 0.751 32.523 31.700 0.121 0.000 0.898 442 K N 0.937 121.412 120.400 0.125 0.000 2.063 442 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 442 K C 2.122 178.805 176.600 0.138 0.000 1.048 442 K CA 1.666 58.011 56.287 0.097 0.000 0.928 442 K CB -0.260 32.239 32.500 -0.000 0.000 0.713 442 K HN 0.542 nan 8.250 nan 0.000 0.442 443 E N -0.283 120.003 120.200 0.143 0.000 2.072 443 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 443 E C 1.797 178.525 176.600 0.212 0.000 0.985 443 E CA 1.017 57.501 56.400 0.140 0.000 0.801 443 E CB -0.133 29.638 29.700 0.118 0.000 0.750 443 E HN 0.445 nan 8.360 nan 0.000 0.452 444 W N 0.693 122.065 121.300 0.120 0.000 2.342 444 W HA -0.230 4.430 4.660 -0.000 0.000 0.297 444 W C 1.910 178.573 176.519 0.241 0.000 1.213 444 W CA 1.096 58.560 57.345 0.197 0.000 1.251 444 W CB -0.189 29.342 29.460 0.119 0.000 1.136 444 W HN 0.153 nan 8.180 nan 0.000 0.526 445 L N 0.752 122.247 121.223 0.454 0.000 2.044 445 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 445 L C 2.178 179.090 176.870 0.070 0.000 1.075 445 L CA 2.039 57.067 54.840 0.312 0.000 0.747 445 L CB -1.045 41.230 42.059 0.361 0.000 0.903 445 L HN -0.017 nan 8.230 nan 0.000 0.435 446 E N -0.828 119.412 120.200 0.067 0.000 2.472 446 E HA -0.090 4.260 4.350 -0.000 0.000 0.200 446 E C 0.583 177.143 176.600 -0.068 0.000 1.046 446 E CA 0.380 56.784 56.400 0.007 0.000 0.871 446 E CB 0.006 29.721 29.700 0.024 0.000 0.806 446 E HN 0.475 nan 8.360 nan 0.000 0.533 447 N N -0.006 118.618 118.700 -0.127 0.000 2.235 447 N HA 0.149 4.889 4.740 -0.000 0.000 0.231 447 N C -0.563 174.514 175.510 -0.721 0.000 1.177 447 N CA 0.008 52.913 53.050 -0.243 0.000 0.874 447 N CB 1.206 39.664 38.487 -0.048 0.000 1.097 447 N HN -0.027 nan 8.380 nan 0.000 0.518 448 A N 1.672 124.055 122.820 -0.729 0.000 2.302 448 A HA 0.642 4.962 4.320 -0.000 0.000 0.285 448 A C -2.257 174.967 177.584 -0.601 0.000 1.105 448 A CA -1.026 50.397 52.037 -1.024 0.000 0.816 448 A CB 0.567 19.137 19.000 -0.716 0.000 1.067 448 A HN -0.076 nan 8.150 nan 0.000 0.489 449 P HA 0.473 nan 4.420 nan 0.000 0.293 449 P C -0.580 176.236 177.300 -0.807 0.000 1.304 449 P CA 0.093 62.859 63.100 -0.557 0.000 0.767 449 P CB 0.349 31.914 31.700 -0.226 0.000 1.247 450 Y N -2.830 117.388 120.300 -0.137 0.000 2.524 450 Y HA 0.161 4.710 4.550 -0.000 0.000 0.276 450 Y C 1.928 177.805 175.900 -0.038 0.000 1.155 450 Y CA 0.316 58.359 58.100 -0.095 0.000 1.165 450 Y CB -0.223 38.178 38.460 -0.100 0.000 1.306 450 Y HN 0.085 nan 8.280 nan 0.000 0.522 451 S N -0.205 115.575 115.700 0.133 0.000 2.535 451 S HA 0.025 4.495 4.470 -0.000 0.000 0.214 451 S C 0.892 175.514 174.600 0.037 0.000 0.980 451 S CA 0.366 58.617 58.200 0.085 0.000 0.907 451 S CB -0.332 62.925 63.200 0.095 0.000 0.790 451 S HN 0.458 nan 8.310 nan 0.000 0.510 452 T N 1.433 115.993 114.554 0.009 0.000 2.856 452 T HA 0.156 4.506 4.350 -0.000 0.000 0.306 452 T C -1.432 173.260 174.700 -0.012 0.000 1.062 452 T CA -1.251 60.842 62.100 -0.012 0.000 1.083 452 T CB 0.141 68.987 68.868 -0.036 0.000 0.984 452 T HN -0.058 nan 8.240 nan 0.000 0.542 453 P HA -0.056 nan 4.420 nan 0.000 0.218 453 P C 0.460 177.756 177.300 -0.007 0.000 1.147 453 P CA 0.847 63.938 63.100 -0.016 0.000 0.827 453 P CB 0.057 31.733 31.700 -0.040 0.000 0.778 454 V N -1.777 118.126 119.914 -0.018 0.000 3.048 454 V HA 0.356 4.476 4.120 -0.000 0.000 0.303 454 V C -0.223 175.844 176.094 -0.046 0.000 1.214 454 V CA -1.080 61.208 62.300 -0.019 0.000 0.984 454 V CB 2.822 34.639 31.823 -0.010 0.000 1.054 454 V HN -0.158 nan 8.190 nan 0.000 0.430 455 R N 2.118 122.583 120.500 -0.059 0.000 2.524 455 R HA 0.534 4.874 4.340 -0.000 0.000 0.236 455 R C 0.075 176.313 176.300 -0.102 0.000 1.240 455 R CA -0.893 55.140 56.100 -0.111 0.000 1.111 455 R CB 0.392 30.611 30.300 -0.135 0.000 1.436 455 R HN 0.714 nan 8.270 nan 0.000 0.573 456 R N 1.189 121.606 120.500 -0.139 0.000 2.500 456 R HA -0.074 4.266 4.340 -0.000 0.000 0.281 456 R C -0.559 175.703 176.300 -0.063 0.000 0.953 456 R CA 0.386 56.424 56.100 -0.104 0.000 1.108 456 R CB 0.022 30.249 30.300 -0.122 0.000 0.901 456 R HN 0.331 nan 8.270 nan 0.000 0.410 457 L N 3.187 124.386 121.223 -0.040 0.000 2.334 457 L HA 0.137 4.477 4.340 -0.000 0.000 0.277 457 L C 0.360 177.223 176.870 -0.012 0.000 1.075 457 L CA -0.613 54.215 54.840 -0.020 0.000 0.804 457 L CB 1.289 43.343 42.059 -0.008 0.000 1.174 457 L HN 0.611 nan 8.230 nan 0.000 0.438 458 D N 2.392 122.789 120.400 -0.005 0.000 2.429 458 D HA -0.073 4.567 4.640 -0.000 0.000 0.253 458 D C 0.981 177.286 176.300 0.009 0.000 1.294 458 D CA 0.391 54.392 54.000 0.003 0.000 1.063 458 D CB 0.517 41.323 40.800 0.010 0.000 1.096 458 D HN 0.572 nan 8.370 nan 0.000 0.516 459 E N 2.251 122.453 120.200 0.003 0.000 2.268 459 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 459 E C 1.450 178.053 176.600 0.006 0.000 0.995 459 E CA 0.544 56.947 56.400 0.005 0.000 0.836 459 E CB 0.260 29.960 29.700 0.000 0.000 0.763 459 E HN 0.358 nan 8.360 nan 0.000 0.491 460 L N 0.750 121.977 121.223 0.006 0.000 2.072 460 L HA -0.054 4.286 4.340 -0.000 0.000 0.205 460 L C 2.521 179.402 176.870 0.019 0.000 1.079 460 L CA 1.474 56.317 54.840 0.005 0.000 0.752 460 L CB -0.737 41.325 42.059 0.005 0.000 0.906 460 L HN 0.085 nan 8.230 nan 0.000 0.436 461 R N -0.052 120.475 120.500 0.045 0.000 2.120 461 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 461 R C 2.096 178.442 176.300 0.076 0.000 1.123 461 R CA 1.310 57.466 56.100 0.094 0.000 0.975 461 R CB -0.142 30.211 30.300 0.089 0.000 0.866 461 R HN 0.343 nan 8.270 nan 0.000 0.446 462 A N 0.955 123.801 122.820 0.043 0.000 2.015 462 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 462 A C 1.695 179.291 177.584 0.020 0.000 1.163 462 A CA 1.294 53.352 52.037 0.035 0.000 0.646 462 A CB -0.303 18.713 19.000 0.026 0.000 0.806 462 A HN 0.381 nan 8.150 nan 0.000 0.448 463 N N -0.794 117.908 118.700 0.003 0.000 2.387 463 N HA -0.017 4.723 4.740 -0.000 0.000 0.176 463 N C 1.266 176.745 175.510 -0.053 0.000 1.022 463 N CA 0.733 53.772 53.050 -0.017 0.000 0.883 463 N CB 0.006 38.481 38.487 -0.019 0.000 1.019 463 N HN 0.267 nan 8.380 nan 0.000 0.435 464 K N 0.170 120.515 120.400 -0.091 0.000 2.284 464 K HA 0.091 4.411 4.320 -0.000 0.000 0.198 464 K C 0.203 176.572 176.600 -0.384 0.000 1.048 464 K CA 0.710 56.856 56.287 -0.235 0.000 0.987 464 K CB 0.098 32.427 32.500 -0.286 0.000 0.800 464 K HN 0.254 nan 8.250 nan 0.000 0.486 465 H N 1.123 120.190 119.070 -0.004 0.000 2.471 465 H HA 0.227 4.783 4.556 -0.000 0.000 0.234 465 H C -2.288 173.037 175.328 -0.006 0.000 1.388 465 H CA -2.011 54.033 56.048 -0.006 0.000 1.198 465 H CB 0.407 30.164 29.762 -0.008 0.000 1.714 465 H HN 0.054 nan 8.280 nan 0.000 0.536 466 P HA 0.070 nan 4.420 nan 0.000 0.268 466 P C -0.017 177.308 177.300 0.043 0.000 1.204 466 P CA -0.080 63.047 63.100 0.045 0.000 0.768 466 P CB 1.583 33.296 31.700 0.023 0.000 0.842 467 K N 3.519 123.938 120.400 0.032 0.000 2.575 467 K HA 0.204 4.524 4.320 -0.000 0.000 0.236 467 K C 0.650 177.262 176.600 0.021 0.000 0.976 467 K CA -0.593 55.703 56.287 0.014 0.000 0.985 467 K CB 0.522 33.021 32.500 -0.002 0.000 1.198 467 K HN 0.215 nan 8.250 nan 0.000 0.464 468 L N 1.669 122.907 121.223 0.024 0.000 2.492 468 L HA 0.062 4.402 4.340 -0.000 0.000 0.223 468 L C 1.031 177.928 176.870 0.045 0.000 1.132 468 L CA 0.830 55.692 54.840 0.037 0.000 0.850 468 L CB -1.170 40.911 42.059 0.036 0.000 0.966 468 L HN 0.674 nan 8.230 nan 0.000 0.454 469 T N -6.810 107.760 114.554 0.026 0.000 2.843 469 T HA 0.264 4.614 4.350 -0.000 0.000 0.302 469 T C 0.570 175.236 174.700 -0.056 0.000 1.232 469 T CA -0.575 61.540 62.100 0.024 0.000 1.009 469 T CB 1.475 70.377 68.868 0.056 0.000 1.254 469 T HN -0.050 nan 8.240 nan 0.000 0.504 470 Y N 0.913 121.029 120.300 -0.307 0.000 2.207 470 Y HA 0.023 4.572 4.550 -0.000 0.000 0.287 470 Y C 1.292 176.843 175.900 -0.583 0.000 1.156 470 Y CA 1.291 59.068 58.100 -0.539 0.000 1.182 470 Y CB -0.362 37.465 38.460 -1.055 0.000 0.979 470 Y HN 0.668 nan 8.280 nan 0.000 0.521 471 F N 0.553 120.386 119.950 -0.195 0.000 2.797 471 F HA 0.114 4.641 4.527 -0.000 0.000 0.302 471 F C 1.146 176.857 175.800 -0.148 0.000 1.130 471 F CA 0.074 57.959 58.000 -0.192 0.000 1.387 471 F CB -1.052 37.884 39.000 -0.105 0.000 1.107 471 F HN 0.026 nan 8.300 nan 0.000 0.577 472 D N 0.000 120.392 120.400 -0.014 0.000 6.856 472 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 472 D CA 0.000 53.995 54.000 -0.009 0.000 0.868 472 D CB 0.000 40.772 40.800 -0.047 0.000 0.688 472 D HN 0.000 nan 8.370 nan 0.000 0.683