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 3hpa_1_B DATA FIRST_RESID 29 DATA SEQUENCE KTLLVKHADV LVTMDDTRRE LRDAGLYIED NRIVAVGPSA ELPETADEVL DATA SEQUENCE DLRGHLVIPG LVNTHHHMYQ SLTRAVPAAQ NAELFGWLTN LYKIWAHLTP DATA SEQUENCE EMIEVSTLTA MAELLQSGCT TSSDHLYIYP NGSRLDDSIG AAQRIGMRFH DATA SEQUENCE ASRGAMSXXX XXXXXXXXXX XXXEPDILRD TQRLIETYHD EGRYAMLRVV DATA SEQUENCE VAPCSPFSVS RDLMRDAAVL AREYGVSLHT HLAENVNDIA YXXXXXXXTP DATA SEQUENCE AEYAEDLGWV GHDVWHAHCV QLDDAGIGLF ARTGTGVAHC PCSNMRLASG DATA SEQUENCE IAPVKKMRLA GVPVGLGVDG SASNDGAQMV AEVRQALLLQ RVGFGPDAMT DATA SEQUENCE AREALEIATL GGAKVLNRDD IGALKPGMAA DFAAFDLRQP LFAGALHDPV DATA SEQUENCE AALVFCAPSQ TAYTVVNGKV VVREGRLATL DLPPVIERHN ALAHALVEAA DATA SEQUENCE R 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 29 K HA 0.000 nan 4.320 nan 0.000 0.191 29 K C 0.000 176.541 176.600 -0.098 0.000 0.988 29 K CA 0.000 56.252 56.287 -0.059 0.000 0.838 29 K CB 0.000 32.469 32.500 -0.052 0.000 1.064 30 T N 0.980 115.470 114.554 -0.106 0.000 2.929 30 T HA 0.715 5.065 4.350 0.001 0.000 0.284 30 T C -0.738 173.866 174.700 -0.160 0.000 1.014 30 T CA -0.911 61.071 62.100 -0.196 0.000 1.051 30 T CB 1.598 70.340 68.868 -0.211 0.000 1.028 30 T HN 0.336 nan 8.240 nan 0.000 0.485 31 L N 2.209 123.299 121.223 -0.222 0.000 2.410 31 L HA 0.797 5.138 4.340 0.001 0.000 0.270 31 L C -1.744 175.050 176.870 -0.127 0.000 0.983 31 L CA -1.117 53.649 54.840 -0.123 0.000 0.822 31 L CB 1.802 43.821 42.059 -0.067 0.000 1.285 31 L HN 0.829 nan 8.230 nan 0.000 0.409 32 L N 5.937 127.130 121.223 -0.049 0.000 2.349 32 L HA 0.732 5.072 4.340 0.001 0.000 0.278 32 L C -1.398 175.430 176.870 -0.070 0.000 0.996 32 L CA -0.303 54.531 54.840 -0.011 0.000 0.825 32 L CB 1.926 44.026 42.059 0.068 0.000 1.243 32 L HN 0.410 nan 8.230 nan 0.000 0.412 33 V N 5.698 125.540 119.914 -0.119 0.000 2.435 33 V HA 0.614 4.735 4.120 0.001 0.000 0.290 33 V C -0.280 175.696 176.094 -0.198 0.000 1.030 33 V CA -0.543 61.645 62.300 -0.186 0.000 0.881 33 V CB 1.586 33.219 31.823 -0.317 0.000 0.983 33 V HN 0.872 nan 8.190 nan 0.000 0.445 34 K N 2.323 122.590 120.400 -0.222 0.000 2.482 34 K HA 0.657 4.978 4.320 0.001 0.000 0.257 34 K C -0.207 176.238 176.600 -0.259 0.000 0.969 34 K CA -0.943 55.142 56.287 -0.338 0.000 0.842 34 K CB 1.473 33.648 32.500 -0.542 0.000 1.359 34 K HN 0.664 nan 8.250 nan 0.000 0.441 35 H N -1.148 117.894 119.070 -0.046 0.000 2.862 35 H HA -0.183 4.373 4.556 0.001 0.000 0.290 35 H C -0.399 174.919 175.328 -0.016 0.000 1.211 35 H CA 0.234 56.266 56.048 -0.027 0.000 1.140 35 H CB -1.550 28.202 29.762 -0.017 0.000 1.341 35 H HN 0.797 nan 8.280 nan 0.000 0.392 36 A N 0.636 123.485 122.820 0.049 0.000 2.477 36 A HA 0.096 4.417 4.320 0.001 0.000 0.246 36 A C 1.149 178.768 177.584 0.057 0.000 1.078 36 A CA 0.206 52.271 52.037 0.047 0.000 0.770 36 A CB 0.442 19.438 19.000 -0.008 0.000 1.011 36 A HN 0.351 nan 8.150 nan 0.000 0.494 37 D N 0.522 120.960 120.400 0.063 0.000 2.123 37 D HA -0.008 4.632 4.640 0.001 0.000 0.196 37 D C 0.281 176.591 176.300 0.017 0.000 0.992 37 D CA 1.764 55.783 54.000 0.032 0.000 0.833 37 D CB -0.044 40.762 40.800 0.010 0.000 0.954 37 D HN 0.253 nan 8.370 nan 0.000 0.455 38 V N 0.563 120.488 119.914 0.018 0.000 2.777 38 V HA 0.324 4.444 4.120 0.001 0.000 0.306 38 V C -1.297 174.809 176.094 0.020 0.000 1.112 38 V CA -1.041 61.266 62.300 0.012 0.000 0.917 38 V CB 2.805 34.630 31.823 0.004 0.000 1.018 38 V HN -0.063 nan 8.190 nan 0.000 0.426 39 L N 6.778 128.006 121.223 0.009 0.000 2.376 39 L HA 0.829 5.169 4.340 0.001 0.000 0.275 39 L C -0.522 176.354 176.870 0.010 0.000 0.987 39 L CA -0.549 54.291 54.840 0.001 0.000 0.828 39 L CB 1.851 43.888 42.059 -0.037 0.000 1.249 39 L HN 0.622 nan 8.230 nan 0.000 0.409 40 V N 2.815 122.746 119.914 0.029 0.000 2.394 40 V HA 0.571 4.692 4.120 0.001 0.000 0.282 40 V C 0.957 177.068 176.094 0.028 0.000 1.031 40 V CA 0.475 62.794 62.300 0.032 0.000 0.881 40 V CB 0.862 32.714 31.823 0.047 0.000 0.982 40 V HN 0.995 nan 8.190 nan 0.000 0.451 41 T N 1.785 116.350 114.554 0.019 0.000 3.010 41 T HA 0.080 4.430 4.350 0.001 0.000 0.252 41 T C 1.205 175.919 174.700 0.024 0.000 1.047 41 T CA 0.744 62.854 62.100 0.017 0.000 1.140 41 T CB -0.233 68.639 68.868 0.008 0.000 0.885 41 T HN 0.953 nan 8.240 nan 0.000 0.464 42 M N 2.532 122.146 119.600 0.023 0.000 2.653 42 M HA -0.126 4.354 4.480 0.001 0.000 0.203 42 M C -0.471 175.838 176.300 0.016 0.000 0.502 42 M CA 0.795 56.108 55.300 0.021 0.000 0.601 42 M CB -2.549 30.066 32.600 0.026 0.000 2.228 42 M HN 0.779 nan 8.290 nan 0.000 0.711 43 D N -0.840 119.568 120.400 0.014 0.000 2.453 43 D HA 0.234 4.874 4.640 0.001 0.000 0.282 43 D C 0.970 177.276 176.300 0.009 0.000 1.222 43 D CA 0.089 54.096 54.000 0.011 0.000 1.079 43 D CB 0.286 41.092 40.800 0.011 0.000 1.128 43 D HN 0.154 nan 8.370 nan 0.000 0.568 44 D N -1.114 119.290 120.400 0.007 0.000 2.133 44 D HA -0.156 4.484 4.640 0.001 0.000 0.195 44 D C 1.538 177.841 176.300 0.006 0.000 0.997 44 D CA 2.604 56.608 54.000 0.006 0.000 0.840 44 D CB -0.385 40.418 40.800 0.005 0.000 0.947 44 D HN 0.667 nan 8.370 nan 0.000 0.452 45 T N -2.102 112.456 114.554 0.007 0.000 3.134 45 T HA 0.143 4.494 4.350 0.001 0.000 0.260 45 T C 0.524 175.230 174.700 0.009 0.000 1.027 45 T CA -0.471 61.633 62.100 0.007 0.000 0.913 45 T CB 0.383 69.255 68.868 0.006 0.000 1.046 45 T HN -0.073 nan 8.240 nan 0.000 0.553 46 R N 1.160 121.667 120.500 0.011 0.000 3.525 46 R HA -0.122 4.219 4.340 0.001 0.000 0.276 46 R C -0.313 175.996 176.300 0.014 0.000 1.116 46 R CA 0.306 56.414 56.100 0.014 0.000 0.745 46 R CB -2.333 27.976 30.300 0.016 0.000 1.185 46 R HN 0.638 nan 8.270 nan 0.000 0.454 47 R N 1.185 121.692 120.500 0.011 0.000 2.638 47 R HA 0.045 4.385 4.340 0.001 0.000 0.268 47 R C 0.208 176.514 176.300 0.011 0.000 1.006 47 R CA 0.660 56.766 56.100 0.009 0.000 1.088 47 R CB 0.383 30.686 30.300 0.005 0.000 0.950 47 R HN 0.221 nan 8.270 nan 0.000 0.419 48 E N 3.058 123.265 120.200 0.011 0.000 2.316 48 E HA 0.209 4.560 4.350 0.001 0.000 0.254 48 E C -0.855 175.749 176.600 0.008 0.000 0.902 48 E CA -0.316 56.091 56.400 0.012 0.000 0.801 48 E CB 1.310 31.021 29.700 0.018 0.000 1.270 48 E HN 0.293 nan 8.360 nan 0.000 0.414 49 L N 2.315 123.540 121.223 0.003 0.000 2.360 49 L HA 0.579 4.920 4.340 0.001 0.000 0.271 49 L C 0.378 177.250 176.870 0.002 0.000 1.057 49 L CA -0.763 54.077 54.840 -0.000 0.000 0.803 49 L CB 1.013 43.067 42.059 -0.009 0.000 1.207 49 L HN 0.265 nan 8.230 nan 0.000 0.445 50 R N 0.507 121.010 120.500 0.005 0.000 2.711 50 R HA 0.229 4.569 4.340 0.001 0.000 0.284 50 R C -0.710 175.601 176.300 0.018 0.000 0.968 50 R CA -0.836 55.270 56.100 0.010 0.000 0.924 50 R CB 1.200 31.505 30.300 0.009 0.000 1.162 50 R HN 0.636 nan 8.270 nan 0.000 0.465 51 D N 0.732 121.151 120.400 0.032 0.000 2.697 51 D HA -0.191 4.450 4.640 0.001 0.000 0.238 51 D C -1.518 174.814 176.300 0.052 0.000 1.152 51 D CA 1.238 55.278 54.000 0.067 0.000 0.666 51 D CB -0.476 40.362 40.800 0.064 0.000 1.037 51 D HN 0.660 nan 8.370 nan 0.000 0.423 52 A N -0.748 122.080 122.820 0.013 0.000 2.483 52 A HA 0.999 5.319 4.320 0.001 0.000 0.286 52 A C 0.533 178.068 177.584 -0.083 0.000 1.207 52 A CA 0.104 52.121 52.037 -0.033 0.000 0.764 52 A CB 2.060 21.041 19.000 -0.032 0.000 1.341 52 A HN 0.632 nan 8.150 nan 0.000 0.428 53 G N -1.491 107.243 108.800 -0.110 0.000 2.731 53 G HA2 0.614 4.574 3.960 0.001 0.000 0.309 53 G HA3 0.614 4.574 3.960 0.001 0.000 0.309 53 G C -1.742 173.067 174.900 -0.152 0.000 1.273 53 G CA -0.618 44.386 45.100 -0.160 0.000 0.798 53 G HN 0.862 nan 8.290 nan 0.000 0.509 54 L N -0.534 120.582 121.223 -0.179 0.000 2.371 54 L HA 0.556 4.896 4.340 0.001 0.000 0.262 54 L C -1.630 175.227 176.870 -0.021 0.000 1.006 54 L CA -1.018 53.744 54.840 -0.131 0.000 0.818 54 L CB 2.652 44.557 42.059 -0.256 0.000 1.354 54 L HN 0.570 nan 8.230 nan 0.000 0.415 55 Y N 2.596 122.833 120.300 -0.105 0.000 2.341 55 Y HA 0.701 5.251 4.550 0.001 0.000 0.338 55 Y C -0.875 174.990 175.900 -0.058 0.000 0.965 55 Y CA -0.744 57.309 58.100 -0.078 0.000 1.108 55 Y CB 1.240 39.661 38.460 -0.065 0.000 1.180 55 Y HN 0.352 nan 8.280 nan 0.000 0.458 56 I N 5.455 125.680 120.570 -0.575 0.000 2.608 56 I HA 0.367 4.538 4.170 0.001 0.000 0.295 56 I C -1.016 174.794 176.117 -0.513 0.000 1.049 56 I CA -0.839 60.213 61.300 -0.413 0.000 1.063 56 I CB 2.278 40.163 38.000 -0.192 0.000 1.248 56 I HN 0.527 nan 8.210 nan 0.000 0.424 57 E N 5.853 125.854 120.200 -0.332 0.000 2.141 57 E HA 0.267 4.617 4.350 0.001 0.000 0.259 57 E C -0.889 175.600 176.600 -0.186 0.000 0.883 57 E CA -0.470 55.782 56.400 -0.247 0.000 0.744 57 E CB 1.238 30.840 29.700 -0.163 0.000 1.150 57 E HN 0.569 nan 8.360 nan 0.000 0.420 58 D N 2.153 122.459 120.400 -0.158 0.000 4.344 58 D HA -0.254 4.387 4.640 0.001 0.000 0.144 58 D C 0.732 176.941 176.300 -0.152 0.000 0.730 58 D CA 1.922 55.842 54.000 -0.133 0.000 1.156 58 D CB -0.790 39.938 40.800 -0.120 0.000 0.570 58 D HN 0.676 nan 8.370 nan 0.000 0.533 59 N N 1.886 120.463 118.700 -0.205 0.000 2.204 59 N HA 0.022 4.763 4.740 0.001 0.000 0.219 59 N C -0.041 175.237 175.510 -0.387 0.000 1.151 59 N CA 0.028 52.934 53.050 -0.240 0.000 0.867 59 N CB 0.496 38.855 38.487 -0.213 0.000 1.043 59 N HN 0.595 nan 8.380 nan 0.000 0.516 60 R N -0.170 120.102 120.500 -0.380 0.000 2.750 60 R HA 0.563 4.903 4.340 0.001 0.000 0.281 60 R C -0.740 175.457 176.300 -0.171 0.000 0.972 60 R CA -0.798 55.074 56.100 -0.381 0.000 0.912 60 R CB 1.253 31.238 30.300 -0.526 0.000 1.187 60 R HN -0.137 nan 8.270 nan 0.000 0.464 61 I N 3.203 123.727 120.570 -0.077 0.000 2.416 61 I HA 0.019 4.190 4.170 0.001 0.000 0.288 61 I C 1.378 177.492 176.117 -0.005 0.000 1.051 61 I CA -0.402 60.879 61.300 -0.032 0.000 1.375 61 I CB 1.761 39.767 38.000 0.010 0.000 1.407 61 I HN 0.697 nan 8.210 nan 0.000 0.516 62 V N 3.089 123.011 119.914 0.013 0.000 3.570 62 V HA 0.581 4.701 4.120 0.001 0.000 0.257 62 V C 0.552 176.699 176.094 0.089 0.000 1.272 62 V CA 0.408 62.747 62.300 0.065 0.000 1.079 62 V CB 0.497 32.386 31.823 0.110 0.000 0.829 62 V HN 0.716 nan 8.190 nan 0.000 0.454 63 A N -0.021 122.858 122.820 0.099 0.000 2.488 63 A HA 0.796 5.116 4.320 0.001 0.000 0.295 63 A C -1.258 176.346 177.584 0.033 0.000 1.045 63 A CA -0.345 51.734 52.037 0.069 0.000 0.703 63 A CB 2.114 21.161 19.000 0.079 0.000 1.271 63 A HN 0.540 nan 8.150 nan 0.000 0.400 64 V N 1.726 121.643 119.914 0.004 0.000 2.531 64 V HA 0.920 5.040 4.120 0.001 0.000 0.301 64 V C 0.552 176.632 176.094 -0.023 0.000 1.034 64 V CA 0.572 62.859 62.300 -0.021 0.000 0.865 64 V CB 1.303 33.113 31.823 -0.023 0.000 0.995 64 V HN 1.961 nan 8.190 nan 0.000 0.424 65 G N 5.442 114.221 108.800 -0.035 0.000 2.323 65 G HA2 0.429 4.389 3.960 0.001 0.000 0.291 65 G HA3 0.429 4.389 3.960 0.001 0.000 0.291 65 G C -3.522 171.356 174.900 -0.036 0.000 1.278 65 G CA -0.824 44.258 45.100 -0.030 0.000 0.860 65 G HN 0.456 nan 8.290 nan 0.000 0.504 66 P HA 0.203 nan 4.420 nan 0.000 0.265 66 P C 0.881 178.160 177.300 -0.035 0.000 1.187 66 P CA 0.299 63.387 63.100 -0.020 0.000 0.766 66 P CB 0.958 32.652 31.700 -0.010 0.000 0.820 67 S N 2.619 118.298 115.700 -0.036 0.000 2.382 67 S HA -0.198 4.272 4.470 0.001 0.000 0.228 67 S C 1.953 176.518 174.600 -0.057 0.000 1.027 67 S CA 1.558 59.708 58.200 -0.084 0.000 0.991 67 S CB -0.787 62.322 63.200 -0.152 0.000 0.823 67 S HN 0.613 nan 8.310 nan 0.000 0.469 68 A N 1.750 124.563 122.820 -0.012 0.000 2.024 68 A HA -0.174 4.147 4.320 0.001 0.000 0.220 68 A C 1.630 179.195 177.584 -0.032 0.000 1.164 68 A CA 1.540 53.572 52.037 -0.008 0.000 0.643 68 A CB -0.397 18.607 19.000 0.007 0.000 0.806 68 A HN 0.760 nan 8.150 nan 0.000 0.451 69 E N -1.419 118.756 120.200 -0.041 0.000 2.496 69 E HA 0.494 4.844 4.350 0.001 0.000 0.202 69 E C -0.765 175.789 176.600 -0.077 0.000 1.021 69 E CA -0.496 55.873 56.400 -0.052 0.000 1.015 69 E CB 0.054 29.731 29.700 -0.039 0.000 1.102 69 E HN 0.329 nan 8.360 nan 0.000 0.452 70 L N 0.861 122.026 121.223 -0.096 0.000 2.279 70 L HA 0.486 4.826 4.340 0.001 0.000 0.262 70 L C -2.353 174.405 176.870 -0.187 0.000 1.019 70 L CA -2.505 52.251 54.840 -0.141 0.000 0.823 70 L CB 1.257 43.255 42.059 -0.103 0.000 1.358 70 L HN -0.117 nan 8.230 nan 0.000 0.432 71 P HA 0.051 nan 4.420 nan 0.000 0.265 71 P C -0.257 176.949 177.300 -0.156 0.000 1.187 71 P CA 0.183 63.090 63.100 -0.322 0.000 0.766 71 P CB 0.421 31.709 31.700 -0.687 0.000 0.820 72 E N -0.018 120.118 120.200 -0.107 0.000 2.442 72 E HA 0.014 4.364 4.350 0.001 0.000 0.195 72 E C 0.609 177.189 176.600 -0.034 0.000 1.030 72 E CA 0.546 56.908 56.400 -0.064 0.000 0.869 72 E CB 0.124 29.797 29.700 -0.045 0.000 0.857 72 E HN 0.624 nan 8.360 nan 0.000 0.505 73 T N -2.693 111.853 114.554 -0.013 0.000 2.731 73 T HA 0.802 5.152 4.350 0.001 0.000 0.300 73 T C -0.931 173.817 174.700 0.080 0.000 1.283 73 T CA -0.522 61.590 62.100 0.019 0.000 1.005 73 T CB 2.126 71.001 68.868 0.011 0.000 1.420 73 T HN 0.027 nan 8.240 nan 0.000 0.503 74 A N -0.225 122.635 122.820 0.065 0.000 2.490 74 A HA 0.592 4.913 4.320 0.001 0.000 0.292 74 A C 0.070 177.670 177.584 0.027 0.000 1.047 74 A CA -0.313 51.772 52.037 0.081 0.000 0.632 74 A CB 0.054 19.111 19.000 0.095 0.000 1.323 74 A HN 0.719 nan 8.150 nan 0.000 0.448 75 D N 0.022 120.427 120.400 0.008 0.000 2.123 75 D HA -0.063 4.578 4.640 0.001 0.000 0.196 75 D C 0.444 176.737 176.300 -0.011 0.000 0.992 75 D CA 1.952 55.949 54.000 -0.005 0.000 0.833 75 D CB 0.411 41.201 40.800 -0.017 0.000 0.954 75 D HN 0.584 nan 8.370 nan 0.000 0.455 76 E N 0.200 120.388 120.200 -0.021 0.000 2.241 76 E HA 0.350 4.700 4.350 0.001 0.000 0.263 76 E C -1.237 175.345 176.600 -0.030 0.000 0.882 76 E CA -0.594 55.792 56.400 -0.024 0.000 0.769 76 E CB 2.142 31.825 29.700 -0.029 0.000 1.185 76 E HN -0.132 nan 8.360 nan 0.000 0.415 77 V N 2.810 122.704 119.914 -0.033 0.000 2.604 77 V HA 0.621 4.741 4.120 0.001 0.000 0.305 77 V C -1.054 174.990 176.094 -0.084 0.000 1.043 77 V CA -0.762 61.510 62.300 -0.048 0.000 0.888 77 V CB 1.395 33.198 31.823 -0.034 0.000 0.995 77 V HN 0.650 nan 8.190 nan 0.000 0.429 78 L N 4.391 125.539 121.223 -0.125 0.000 2.318 78 L HA 0.504 4.844 4.340 0.001 0.000 0.277 78 L C -0.453 176.299 176.870 -0.197 0.000 1.008 78 L CA -0.339 54.370 54.840 -0.219 0.000 0.846 78 L CB 1.395 43.276 42.059 -0.298 0.000 1.220 78 L HN 0.734 nan 8.230 nan 0.000 0.423 79 D N 4.811 125.124 120.400 -0.145 0.000 2.393 79 D HA 0.165 4.806 4.640 0.001 0.000 0.232 79 D C 0.296 176.535 176.300 -0.101 0.000 1.192 79 D CA -0.071 53.890 54.000 -0.066 0.000 0.882 79 D CB 1.012 41.832 40.800 0.032 0.000 1.038 79 D HN 0.430 nan 8.370 nan 0.000 0.499 80 L N 3.921 125.069 121.223 -0.125 0.000 2.851 80 L HA 0.246 4.587 4.340 0.001 0.000 0.237 80 L C 1.252 178.181 176.870 0.098 0.000 1.257 80 L CA -0.471 54.259 54.840 -0.183 0.000 1.061 80 L CB -0.237 41.672 42.059 -0.249 0.000 1.372 80 L HN 0.147 nan 8.230 nan 0.000 0.493 81 R N 0.664 121.258 120.500 0.156 0.000 2.640 81 R HA 0.207 4.547 4.340 0.001 0.000 0.270 81 R C 1.257 177.716 176.300 0.266 0.000 1.024 81 R CA 1.220 57.426 56.100 0.176 0.000 1.085 81 R CB 0.364 30.726 30.300 0.104 0.000 0.963 81 R HN 0.370 nan 8.270 nan 0.000 0.426 82 G N 1.816 110.706 108.800 0.150 0.000 2.179 82 G HA2 -0.269 3.692 3.960 0.001 0.000 0.260 82 G HA3 -0.269 3.692 3.960 0.001 0.000 0.260 82 G C -0.588 174.269 174.900 -0.071 0.000 0.977 82 G CA 0.570 45.698 45.100 0.045 0.000 0.641 82 G HN 0.749 nan 8.290 nan 0.000 0.533 83 H N -1.431 117.654 119.070 0.024 0.000 2.731 83 H HA 0.741 5.297 4.556 0.001 0.000 0.368 83 H C -0.168 175.173 175.328 0.021 0.000 1.168 83 H CA -0.756 55.315 56.048 0.038 0.000 1.181 83 H CB 1.786 31.598 29.762 0.082 0.000 1.743 83 H HN 0.378 nan 8.280 nan 0.000 0.547 84 L N 2.534 123.854 121.223 0.162 0.000 2.296 84 L HA 0.567 4.907 4.340 0.001 0.000 0.286 84 L C -0.968 176.044 176.870 0.237 0.000 1.023 84 L CA -0.815 54.102 54.840 0.129 0.000 0.812 84 L CB 0.922 43.011 42.059 0.049 0.000 1.223 84 L HN 0.526 nan 8.230 nan 0.000 0.421 85 V N 3.971 123.982 119.914 0.161 0.000 2.513 85 V HA 0.724 4.844 4.120 0.001 0.000 0.299 85 V C -0.305 175.888 176.094 0.165 0.000 1.035 85 V CA -0.455 61.947 62.300 0.169 0.000 0.889 85 V CB 1.403 33.242 31.823 0.026 0.000 0.988 85 V HN 0.802 nan 8.190 nan 0.000 0.440 86 I N 3.698 124.412 120.570 0.240 0.000 3.074 86 I HA 0.557 4.727 4.170 0.001 0.000 0.310 86 I C -2.612 173.633 176.117 0.213 0.000 1.153 86 I CA -2.549 58.875 61.300 0.207 0.000 0.993 86 I CB 3.378 41.529 38.000 0.251 0.000 1.237 86 I HN 0.450 nan 8.210 nan 0.000 0.443 87 P HA 0.050 nan 4.420 nan 0.000 0.269 87 P C -0.269 177.122 177.300 0.152 0.000 1.209 87 P CA -0.078 63.110 63.100 0.147 0.000 0.776 87 P CB 0.391 32.148 31.700 0.094 0.000 0.876 88 G N 2.961 111.842 108.800 0.136 0.000 2.414 88 G HA2 0.137 4.097 3.960 0.001 0.000 0.236 88 G HA3 0.137 4.097 3.960 0.001 0.000 0.236 88 G C -0.211 174.735 174.900 0.077 0.000 1.293 88 G CA -0.421 44.736 45.100 0.094 0.000 0.869 88 G HN 0.410 nan 8.290 nan 0.000 0.556 89 L N 1.140 122.413 121.223 0.082 0.000 2.417 89 L HA 0.283 4.623 4.340 0.001 0.000 0.268 89 L C 0.062 176.947 176.870 0.025 0.000 1.158 89 L CA -0.635 54.242 54.840 0.062 0.000 0.819 89 L CB 1.187 43.297 42.059 0.086 0.000 1.112 89 L HN 0.139 nan 8.230 nan 0.000 0.458 90 V N 1.896 121.808 119.914 -0.004 0.000 2.378 90 V HA 0.242 4.362 4.120 0.001 0.000 0.288 90 V C -0.185 175.881 176.094 -0.046 0.000 1.016 90 V CA -0.712 61.562 62.300 -0.044 0.000 0.840 90 V CB 1.468 33.233 31.823 -0.098 0.000 0.994 90 V HN 0.701 nan 8.190 nan 0.000 0.431 91 N N 2.711 121.400 118.700 -0.019 0.000 2.434 91 N HA 0.323 5.063 4.740 0.001 0.000 0.272 91 N C 0.893 176.397 175.510 -0.009 0.000 1.040 91 N CA 0.119 53.177 53.050 0.013 0.000 0.956 91 N CB 1.666 40.201 38.487 0.081 0.000 1.108 91 N HN 0.768 nan 8.380 nan 0.000 0.481 92 T N -0.492 114.053 114.554 -0.015 0.000 3.054 92 T HA 0.165 4.516 4.350 0.001 0.000 0.255 92 T C -0.110 174.749 174.700 0.266 0.000 1.035 92 T CA 0.160 62.235 62.100 -0.042 0.000 0.941 92 T CB -0.382 68.302 68.868 -0.306 0.000 1.026 92 T HN 0.573 nan 8.240 nan 0.000 0.533 93 H N 0.457 119.615 119.070 0.147 0.000 3.026 93 H HA 0.642 5.198 4.556 0.001 0.000 0.352 93 H C -1.644 173.754 175.328 0.116 0.000 1.090 93 H CA -0.611 55.554 56.048 0.196 0.000 1.268 93 H CB 1.220 31.068 29.762 0.142 0.000 1.816 93 H HN 0.226 nan 8.280 nan 0.000 0.518 94 H N 2.653 121.411 119.070 -0.520 0.000 3.003 94 H HA 0.292 4.848 4.556 0.001 0.000 0.327 94 H C -1.328 173.651 175.328 -0.581 0.000 1.353 94 H CA -0.546 55.258 56.048 -0.406 0.000 1.142 94 H CB 1.461 31.177 29.762 -0.077 0.000 1.864 94 H HN 0.781 nan 8.280 nan 0.000 0.529 95 H N 3.932 123.238 119.070 0.393 0.000 2.538 95 H HA 0.183 4.739 4.556 0.001 0.000 0.239 95 H C 1.172 176.445 175.328 -0.093 0.000 1.401 95 H CA -0.200 55.860 56.048 0.021 0.000 1.499 95 H CB 0.526 30.184 29.762 -0.173 0.000 1.624 95 H HN 0.555 nan 8.280 nan 0.000 0.524 96 M N 0.183 119.752 119.600 -0.050 0.000 2.144 96 M HA -0.216 4.265 4.480 0.001 0.000 0.260 96 M C 1.984 178.215 176.300 -0.114 0.000 1.067 96 M CA 1.913 57.083 55.300 -0.216 0.000 1.095 96 M CB -0.459 31.957 32.600 -0.307 0.000 1.365 96 M HN 0.539 nan 8.290 nan 0.000 0.406 97 Y N 0.322 120.571 120.300 -0.085 0.000 2.384 97 Y HA -0.157 4.394 4.550 0.001 0.000 0.289 97 Y C 1.818 177.654 175.900 -0.107 0.000 1.152 97 Y CA 0.928 58.945 58.100 -0.139 0.000 1.258 97 Y CB -1.285 37.005 38.460 -0.284 0.000 0.979 97 Y HN 0.274 nan 8.280 nan 0.000 0.549 98 Q N 0.484 119.810 119.800 -0.790 0.000 2.437 98 Q HA -0.098 4.243 4.340 0.001 0.000 0.210 98 Q C 2.002 178.012 176.000 0.016 0.000 0.972 98 Q CA 0.995 56.564 55.803 -0.390 0.000 0.903 98 Q CB -0.151 28.372 28.738 -0.359 0.000 0.967 98 Q HN 0.557 nan 8.270 nan 0.000 0.486 99 S N 0.732 116.475 115.700 0.072 0.000 2.469 99 S HA -0.059 4.411 4.470 0.001 0.000 0.238 99 S C 1.626 176.429 174.600 0.339 0.000 0.998 99 S CA 0.728 59.058 58.200 0.216 0.000 0.957 99 S CB 0.016 63.377 63.200 0.270 0.000 0.764 99 S HN 0.358 nan 8.310 nan 0.000 0.514 100 L N 1.102 122.426 121.223 0.169 0.000 2.446 100 L HA 0.069 4.409 4.340 0.001 0.000 0.219 100 L C 0.969 177.915 176.870 0.128 0.000 1.116 100 L CA 0.690 55.560 54.840 0.051 0.000 0.844 100 L CB -0.128 41.903 42.059 -0.047 0.000 0.970 100 L HN 0.290 nan 8.230 nan 0.000 0.457 101 T N -2.578 112.087 114.554 0.186 0.000 3.504 101 T HA 0.408 4.759 4.350 0.001 0.000 0.286 101 T C -0.040 174.752 174.700 0.153 0.000 1.530 101 T CA -0.680 61.520 62.100 0.168 0.000 1.652 101 T CB 0.211 69.222 68.868 0.238 0.000 0.895 101 T HN 0.012 nan 8.240 nan 0.000 0.674 102 R N 1.172 121.753 120.500 0.136 0.000 2.474 102 R HA 0.706 5.047 4.340 0.001 0.000 0.295 102 R C 0.887 177.245 176.300 0.097 0.000 0.980 102 R CA -0.340 55.838 56.100 0.129 0.000 0.934 102 R CB 1.081 31.456 30.300 0.124 0.000 1.101 102 R HN 0.606 nan 8.270 nan 0.000 0.469 103 A N 1.250 124.129 122.820 0.099 0.000 2.799 103 A HA -0.151 4.169 4.320 0.001 0.000 0.287 103 A C 0.278 177.892 177.584 0.050 0.000 1.484 103 A CA 0.554 52.636 52.037 0.075 0.000 0.813 103 A CB -2.082 16.955 19.000 0.061 0.000 1.009 103 A HN 0.375 nan 8.150 nan 0.000 0.545 104 V N -0.238 119.697 119.914 0.035 0.000 2.529 104 V HA 0.058 4.178 4.120 0.001 0.000 0.292 104 V C -0.211 175.881 176.094 -0.004 0.000 1.028 104 V CA -0.161 62.135 62.300 -0.007 0.000 1.074 104 V CB 0.670 32.453 31.823 -0.065 0.000 0.958 104 V HN 0.405 nan 8.190 nan 0.000 0.481 105 P HA -0.222 nan 4.420 nan 0.000 0.216 105 P C 1.414 178.711 177.300 -0.005 0.000 1.157 105 P CA 1.990 65.090 63.100 -0.001 0.000 0.880 105 P CB 0.140 31.836 31.700 -0.007 0.000 0.791 106 A N -1.175 121.627 122.820 -0.030 0.000 2.216 106 A HA 0.126 4.447 4.320 0.001 0.000 0.214 106 A C 1.921 179.490 177.584 -0.025 0.000 1.160 106 A CA 1.601 53.617 52.037 -0.035 0.000 0.725 106 A CB -1.054 17.908 19.000 -0.064 0.000 0.784 106 A HN 0.237 nan 8.150 nan 0.000 0.472 107 A N -1.793 121.021 122.820 -0.011 0.000 2.508 107 A HA 0.298 4.618 4.320 0.001 0.000 0.250 107 A C 1.599 179.286 177.584 0.173 0.000 1.208 107 A CA 0.352 52.427 52.037 0.064 0.000 0.960 107 A CB 0.004 18.954 19.000 -0.084 0.000 1.099 107 A HN 0.457 nan 8.150 nan 0.000 0.542 108 Q N 0.539 120.397 119.800 0.096 0.000 2.046 108 Q HA -0.040 4.301 4.340 0.001 0.000 0.200 108 Q C -0.022 176.021 176.000 0.072 0.000 0.975 108 Q CA 1.075 56.931 55.803 0.089 0.000 0.836 108 Q CB 0.030 28.799 28.738 0.053 0.000 0.896 108 Q HN 0.545 nan 8.270 nan 0.000 0.428 109 N N -0.177 118.558 118.700 0.057 0.000 2.806 109 N HA 0.381 5.121 4.740 0.001 0.000 0.315 109 N C -1.414 174.122 175.510 0.043 0.000 1.738 109 N CA 0.054 53.127 53.050 0.038 0.000 0.993 109 N CB 1.559 40.060 38.487 0.023 0.000 1.324 109 N HN 0.043 nan 8.380 nan 0.000 0.493 110 A N 0.594 123.455 122.820 0.068 0.000 2.498 110 A HA 0.551 4.871 4.320 0.001 0.000 0.298 110 A C -0.091 177.523 177.584 0.051 0.000 1.075 110 A CA -0.678 51.405 52.037 0.077 0.000 0.714 110 A CB 2.006 21.080 19.000 0.123 0.000 1.299 110 A HN 0.214 nan 8.150 nan 0.000 0.407 111 E N 1.487 121.704 120.200 0.028 0.000 2.280 111 E HA 0.274 4.625 4.350 0.001 0.000 0.264 111 E C 0.829 177.406 176.600 -0.038 0.000 1.064 111 E CA -0.672 55.697 56.400 -0.051 0.000 0.900 111 E CB 0.512 30.170 29.700 -0.070 0.000 1.123 111 E HN 0.651 nan 8.360 nan 0.000 0.418 112 L N 0.867 121.975 121.223 -0.192 0.000 2.169 112 L HA -0.352 3.988 4.340 0.001 0.000 0.244 112 L C 2.102 178.990 176.870 0.030 0.000 1.122 112 L CA 2.382 57.099 54.840 -0.204 0.000 0.848 112 L CB -1.247 40.511 42.059 -0.501 0.000 0.953 112 L HN 0.669 nan 8.230 nan 0.000 0.447 113 F N -0.218 119.794 119.950 0.104 0.000 2.069 113 F HA -0.094 4.434 4.527 0.001 0.000 0.298 113 F C 2.567 178.434 175.800 0.111 0.000 1.113 113 F CA 1.469 59.530 58.000 0.102 0.000 1.214 113 F CB -1.792 37.234 39.000 0.044 0.000 0.978 113 F HN 0.251 nan 8.300 nan 0.000 0.474 114 G N -1.549 107.421 108.800 0.283 0.000 2.432 114 G HA2 -0.305 3.656 3.960 0.001 0.000 0.219 114 G HA3 -0.305 3.656 3.960 0.001 0.000 0.219 114 G C 1.524 176.515 174.900 0.152 0.000 1.135 114 G CA 0.626 45.831 45.100 0.174 0.000 0.767 114 G HN 0.490 nan 8.290 nan 0.000 0.550 115 W N 1.038 122.328 121.300 -0.018 0.000 2.354 115 W HA 0.008 4.668 4.660 0.000 0.000 0.315 115 W C 2.325 178.764 176.519 -0.133 0.000 1.206 115 W CA 1.330 58.631 57.345 -0.073 0.000 1.290 115 W CB -0.401 29.022 29.460 -0.061 0.000 1.152 115 W HN 0.109 nan 8.180 nan 0.000 0.489 116 L N 0.243 121.537 121.223 0.118 0.000 2.017 116 L HA -0.237 4.103 4.340 0.001 0.000 0.208 116 L C 2.867 179.661 176.870 -0.128 0.000 1.073 116 L CA 2.152 56.898 54.840 -0.157 0.000 0.745 116 L CB -1.476 40.734 42.059 0.252 0.000 0.894 116 L HN 0.208 nan 8.230 nan 0.000 0.432 117 T N -3.195 111.408 114.554 0.081 0.000 2.867 117 T HA -0.145 4.206 4.350 0.001 0.000 0.268 117 T C 1.608 176.270 174.700 -0.062 0.000 1.057 117 T CA 1.637 63.791 62.100 0.090 0.000 1.136 117 T CB -0.334 68.584 68.868 0.084 0.000 0.874 117 T HN 0.199 nan 8.240 nan 0.000 0.466 118 N N 0.867 119.471 118.700 -0.160 0.000 2.270 118 N HA 0.207 4.947 4.740 0.001 0.000 0.181 118 N C 1.763 177.020 175.510 -0.421 0.000 1.016 118 N CA 0.780 53.695 53.050 -0.225 0.000 0.870 118 N CB -0.315 38.062 38.487 -0.183 0.000 0.979 118 N HN 0.395 nan 8.380 nan 0.000 0.431 119 L N -1.211 119.563 121.223 -0.748 0.000 2.162 119 L HA -0.009 4.331 4.340 0.001 0.000 0.205 119 L C 1.523 177.649 176.870 -1.240 0.000 1.086 119 L CA 0.533 54.586 54.840 -1.311 0.000 0.778 119 L CB -0.324 40.405 42.059 -2.216 0.000 0.928 119 L HN 0.127 nan 8.230 nan 0.000 0.446 120 Y N 1.116 121.004 120.300 -0.687 0.000 2.151 120 Y HA -0.285 4.266 4.550 0.001 0.000 0.284 120 Y C 2.549 178.340 175.900 -0.181 0.000 1.166 120 Y CA 1.267 59.230 58.100 -0.227 0.000 1.163 120 Y CB -0.461 37.965 38.460 -0.056 0.000 0.974 120 Y HN 0.073 nan 8.280 nan 0.000 0.511 121 K N -0.336 120.031 120.400 -0.054 0.000 2.152 121 K HA -0.174 4.147 4.320 0.001 0.000 0.206 121 K C 1.869 178.454 176.600 -0.026 0.000 1.048 121 K CA 1.651 57.911 56.287 -0.045 0.000 0.933 121 K CB -0.280 32.190 32.500 -0.050 0.000 0.721 121 K HN 0.360 nan 8.250 nan 0.000 0.447 122 I N -0.873 119.623 120.570 -0.123 0.000 2.429 122 I HA -0.159 4.011 4.170 0.001 0.000 0.247 122 I C 1.806 177.999 176.117 0.126 0.000 1.099 122 I CA 0.477 61.767 61.300 -0.017 0.000 1.422 122 I CB -0.271 37.617 38.000 -0.186 0.000 1.112 122 I HN 0.212 nan 8.210 nan 0.000 0.430 123 W N 1.453 122.743 121.300 -0.016 0.000 2.387 123 W HA -0.105 4.556 4.660 0.001 0.000 0.272 123 W C 2.571 179.028 176.519 -0.104 0.000 1.224 123 W CA 0.939 58.254 57.345 -0.049 0.000 1.210 123 W CB -1.109 28.310 29.460 -0.067 0.000 1.125 123 W HN 0.150 nan 8.180 nan 0.000 0.572 124 A N -0.809 122.048 122.820 0.061 0.000 2.216 124 A HA -0.130 4.191 4.320 0.001 0.000 0.214 124 A C 1.419 178.849 177.584 -0.256 0.000 1.160 124 A CA 1.034 52.990 52.037 -0.135 0.000 0.725 124 A CB -0.825 18.034 19.000 -0.236 0.000 0.784 124 A HN 0.311 nan 8.150 nan 0.000 0.472 125 H N -1.344 117.753 119.070 0.045 0.000 2.549 125 H HA 0.227 4.784 4.556 0.001 0.000 0.279 125 H C -0.341 174.997 175.328 0.017 0.000 1.018 125 H CA -0.466 55.595 56.048 0.022 0.000 1.175 125 H CB 0.046 29.817 29.762 0.014 0.000 1.485 125 H HN 0.243 nan 8.280 nan 0.000 0.543 126 L N 2.473 123.746 121.223 0.084 0.000 2.514 126 L HA -0.010 4.330 4.340 0.001 0.000 0.280 126 L C 1.239 178.116 176.870 0.012 0.000 1.223 126 L CA 0.710 55.566 54.840 0.027 0.000 0.864 126 L CB 0.533 42.546 42.059 -0.077 0.000 1.118 126 L HN 0.238 nan 8.230 nan 0.000 0.494 127 T N 0.235 114.797 114.554 0.013 0.000 2.930 127 T HA 0.524 4.874 4.350 0.001 0.000 0.290 127 T C -2.104 172.602 174.700 0.010 0.000 1.052 127 T CA -1.916 60.194 62.100 0.017 0.000 1.017 127 T CB 1.773 70.656 68.868 0.025 0.000 1.137 127 T HN 0.311 nan 8.240 nan 0.000 0.511 128 P HA -0.124 nan 4.420 nan 0.000 0.216 128 P C 1.406 178.719 177.300 0.022 0.000 1.150 128 P CA 1.156 64.272 63.100 0.027 0.000 0.843 128 P CB 0.170 31.890 31.700 0.033 0.000 0.787 129 E N -0.672 119.539 120.200 0.018 0.000 2.047 129 E HA -0.180 4.170 4.350 0.001 0.000 0.191 129 E C 1.912 178.516 176.600 0.008 0.000 0.987 129 E CA 1.228 57.636 56.400 0.014 0.000 0.799 129 E CB -0.515 29.193 29.700 0.013 0.000 0.752 129 E HN 0.102 nan 8.360 nan 0.000 0.449 130 M N 0.427 120.028 119.600 0.001 0.000 2.106 130 M HA -0.201 4.280 4.480 0.001 0.000 0.259 130 M C 2.193 178.491 176.300 -0.003 0.000 1.068 130 M CA 1.146 56.438 55.300 -0.013 0.000 1.100 130 M CB -0.216 32.377 32.600 -0.011 0.000 1.351 130 M HN 0.266 nan 8.290 nan 0.000 0.404 131 I N 0.031 120.603 120.570 0.002 0.000 2.286 131 I HA -0.243 3.927 4.170 0.001 0.000 0.248 131 I C 2.319 178.448 176.117 0.021 0.000 1.115 131 I CA 1.525 62.831 61.300 0.011 0.000 1.392 131 I CB -1.293 36.714 38.000 0.011 0.000 1.065 131 I HN 0.451 nan 8.210 nan 0.000 0.418 132 E N 1.012 121.222 120.200 0.018 0.000 2.028 132 E HA -0.152 4.198 4.350 0.001 0.000 0.191 132 E C 2.338 178.945 176.600 0.013 0.000 0.988 132 E CA 1.391 57.798 56.400 0.012 0.000 0.799 132 E CB 0.206 29.914 29.700 0.014 0.000 0.755 132 E HN 0.200 nan 8.360 nan 0.000 0.447 133 V N 1.551 121.480 119.914 0.025 0.000 2.343 133 V HA -0.270 3.850 4.120 0.001 0.000 0.247 133 V C 2.646 178.812 176.094 0.119 0.000 1.051 133 V CA 1.989 64.323 62.300 0.057 0.000 1.036 133 V CB -0.714 31.141 31.823 0.054 0.000 0.654 133 V HN 0.430 nan 8.190 nan 0.000 0.451 134 S N -0.456 115.302 115.700 0.096 0.000 2.399 134 S HA -0.216 4.254 4.470 0.001 0.000 0.231 134 S C 1.892 176.538 174.600 0.076 0.000 1.022 134 S CA 1.873 60.172 58.200 0.166 0.000 0.983 134 S CB -0.772 62.480 63.200 0.087 0.000 0.803 134 S HN 0.578 nan 8.310 nan 0.000 0.480 135 T N 2.829 117.387 114.554 0.006 0.000 2.821 135 T HA 0.164 4.514 4.350 0.001 0.000 0.267 135 T C 1.705 176.341 174.700 -0.106 0.000 1.046 135 T CA 1.279 63.329 62.100 -0.083 0.000 1.139 135 T CB -0.453 68.355 68.868 -0.100 0.000 0.871 135 T HN 0.309 nan 8.240 nan 0.000 0.454 136 L N 0.698 121.889 121.223 -0.054 0.000 2.056 136 L HA -0.100 4.241 4.340 0.001 0.000 0.207 136 L C 2.927 179.763 176.870 -0.057 0.000 1.078 136 L CA 1.177 55.981 54.840 -0.060 0.000 0.749 136 L CB -1.010 41.033 42.059 -0.026 0.000 0.901 136 L HN 0.265 nan 8.230 nan 0.000 0.433 137 T N -0.113 114.427 114.554 -0.023 0.000 2.746 137 T HA -0.164 4.186 4.350 0.001 0.000 0.267 137 T C 2.011 176.653 174.700 -0.097 0.000 1.039 137 T CA 1.302 63.343 62.100 -0.099 0.000 1.142 137 T CB -0.243 68.469 68.868 -0.259 0.000 0.866 137 T HN 0.438 nan 8.240 nan 0.000 0.444 138 A N 1.545 124.323 122.820 -0.069 0.000 1.877 138 A HA -0.045 4.275 4.320 0.001 0.000 0.216 138 A C 2.346 179.881 177.584 -0.082 0.000 1.186 138 A CA 1.567 53.560 52.037 -0.073 0.000 0.620 138 A CB -0.704 18.192 19.000 -0.174 0.000 0.822 138 A HN 0.456 nan 8.150 nan 0.000 0.443 139 M N -0.573 118.949 119.600 -0.130 0.000 2.213 139 M HA -0.115 4.365 4.480 0.001 0.000 0.263 139 M C 2.465 178.719 176.300 -0.077 0.000 1.062 139 M CA 1.167 56.394 55.300 -0.122 0.000 1.105 139 M CB -0.402 32.089 32.600 -0.182 0.000 1.385 139 M HN 0.510 nan 8.290 nan 0.000 0.417 140 A N 0.206 122.981 122.820 -0.074 0.000 1.873 140 A HA -0.202 4.118 4.320 0.001 0.000 0.215 140 A C 1.990 179.548 177.584 -0.043 0.000 1.186 140 A CA 1.839 53.840 52.037 -0.061 0.000 0.616 140 A CB -0.756 18.205 19.000 -0.065 0.000 0.823 140 A HN 0.512 nan 8.150 nan 0.000 0.442 141 E N -0.301 119.878 120.200 -0.036 0.000 2.085 141 E HA -0.193 4.158 4.350 0.001 0.000 0.194 141 E C 1.995 178.601 176.600 0.009 0.000 0.994 141 E CA 1.226 57.619 56.400 -0.012 0.000 0.801 141 E CB -0.201 29.499 29.700 -0.001 0.000 0.743 141 E HN 0.627 nan 8.360 nan 0.000 0.453 142 L N 0.350 121.583 121.223 0.017 0.000 1.994 142 L HA -0.225 4.115 4.340 0.001 0.000 0.208 142 L C 2.616 179.494 176.870 0.014 0.000 1.071 142 L CA 0.956 55.815 54.840 0.033 0.000 0.745 142 L CB -0.400 41.686 42.059 0.044 0.000 0.892 142 L HN 0.258 nan 8.230 nan 0.000 0.431 143 L N -0.706 120.507 121.223 -0.015 0.000 2.042 143 L HA -0.280 4.061 4.340 0.001 0.000 0.210 143 L C 2.525 179.374 176.870 -0.034 0.000 1.076 143 L CA 1.385 56.205 54.840 -0.033 0.000 0.749 143 L CB -0.457 41.569 42.059 -0.054 0.000 0.893 143 L HN 0.356 nan 8.230 nan 0.000 0.432 144 Q N -0.715 119.069 119.800 -0.027 0.000 2.488 144 Q HA -0.096 4.244 4.340 0.001 0.000 0.211 144 Q C 1.595 177.602 176.000 0.012 0.000 0.967 144 Q CA 1.236 57.023 55.803 -0.027 0.000 0.926 144 Q CB 0.099 28.822 28.738 -0.026 0.000 0.992 144 Q HN 0.560 nan 8.270 nan 0.000 0.506 145 S N -2.438 113.289 115.700 0.045 0.000 2.602 145 S HA 0.407 4.877 4.470 0.001 0.000 0.240 145 S C 1.049 175.761 174.600 0.185 0.000 0.992 145 S CA 0.053 58.325 58.200 0.119 0.000 0.971 145 S CB 1.081 64.339 63.200 0.098 0.000 0.855 145 S HN 0.392 nan 8.310 nan 0.000 0.481 146 G N 0.373 109.232 108.800 0.099 0.000 2.176 146 G HA2 -0.259 3.701 3.960 0.001 0.000 0.232 146 G HA3 -0.259 3.701 3.960 0.001 0.000 0.232 146 G C 0.218 175.174 174.900 0.093 0.000 0.986 146 G CA -0.260 44.913 45.100 0.121 0.000 0.643 146 G HN 0.889 nan 8.290 nan 0.000 0.522 147 C N 2.526 121.863 119.300 0.062 0.000 2.394 147 C HA 0.705 5.165 4.460 0.001 0.000 0.362 147 C C 2.084 177.082 174.990 0.014 0.000 1.268 147 C CA 1.074 60.119 59.018 0.045 0.000 1.828 147 C CB 0.141 27.910 27.740 0.048 0.000 2.442 147 C HN 0.737 nan 8.230 nan 0.000 0.549 148 T N 1.677 116.238 114.554 0.012 0.000 3.018 148 T HA 0.194 4.544 4.350 0.001 0.000 0.246 148 T C 0.581 175.290 174.700 0.014 0.000 1.026 148 T CA 0.326 62.424 62.100 -0.004 0.000 1.081 148 T CB -0.041 68.820 68.868 -0.011 0.000 0.970 148 T HN 0.630 nan 8.240 nan 0.000 0.475 149 T N 1.831 116.396 114.554 0.019 0.000 2.841 149 T HA 0.706 5.057 4.350 0.001 0.000 0.283 149 T C -1.187 173.531 174.700 0.030 0.000 1.000 149 T CA -0.537 61.582 62.100 0.032 0.000 0.977 149 T CB 1.887 70.747 68.868 -0.012 0.000 0.979 149 T HN 0.274 nan 8.240 nan 0.000 0.446 150 S N 1.661 117.423 115.700 0.104 0.000 2.533 150 S HA 0.715 5.185 4.470 0.001 0.000 0.271 150 S C -0.463 174.313 174.600 0.293 0.000 1.143 150 S CA -0.689 57.594 58.200 0.139 0.000 0.891 150 S CB 1.293 64.573 63.200 0.134 0.000 1.105 150 S HN 0.855 nan 8.310 nan 0.000 0.468 151 S N 2.453 118.295 115.700 0.236 0.000 2.745 151 S HA 0.823 5.293 4.470 0.001 0.000 0.292 151 S C -0.830 174.000 174.600 0.384 0.000 1.133 151 S CA -0.408 57.980 58.200 0.313 0.000 0.998 151 S CB 1.548 64.913 63.200 0.276 0.000 1.087 151 S HN 0.762 nan 8.310 nan 0.000 0.551 152 D N -1.859 118.763 120.400 0.371 0.000 2.570 152 D HA 0.426 5.067 4.640 0.001 0.000 0.244 152 D C -1.756 174.769 176.300 0.374 0.000 1.178 152 D CA -0.360 53.853 54.000 0.355 0.000 0.881 152 D CB 1.694 42.762 40.800 0.447 0.000 1.453 152 D HN 0.683 nan 8.370 nan 0.000 0.447 153 H N 1.665 120.874 119.070 0.232 0.000 2.511 153 H HA 0.320 4.876 4.556 0.001 0.000 0.228 153 H C -1.437 174.196 175.328 0.508 0.000 1.424 153 H CA -0.657 55.596 56.048 0.342 0.000 1.321 153 H CB -0.304 29.624 29.762 0.276 0.000 1.720 153 H HN 0.200 nan 8.280 nan 0.000 0.512 154 L N 3.651 125.081 121.223 0.344 0.000 2.407 154 L HA 0.164 4.505 4.340 0.001 0.000 0.282 154 L C -0.309 176.499 176.870 -0.103 0.000 1.110 154 L CA 0.088 54.952 54.840 0.039 0.000 0.863 154 L CB -0.457 41.585 42.059 -0.029 0.000 1.207 154 L HN 0.500 nan 8.230 nan 0.000 0.454 155 Y N 5.131 125.261 120.300 -0.284 0.000 2.584 155 Y HA 0.531 5.081 4.550 0.001 0.000 0.254 155 Y C -0.110 175.629 175.900 -0.267 0.000 1.177 155 Y CA -1.256 56.723 58.100 -0.200 0.000 1.216 155 Y CB -0.586 37.755 38.460 -0.199 0.000 1.172 155 Y HN 0.372 nan 8.280 nan 0.000 0.529 156 I N -2.276 117.775 120.570 -0.865 0.000 2.769 156 I HA 0.554 4.724 4.170 0.001 0.000 0.298 156 I C -1.934 173.621 176.117 -0.936 0.000 1.128 156 I CA -1.430 59.480 61.300 -0.650 0.000 1.031 156 I CB 2.197 39.826 38.000 -0.619 0.000 1.235 156 I HN -0.075 nan 8.210 nan 0.000 0.423 157 Y N 3.862 124.062 120.300 -0.166 0.000 2.497 157 Y HA 0.387 4.938 4.550 0.001 0.000 0.333 157 Y C -2.498 173.348 175.900 -0.090 0.000 1.046 157 Y CA -1.661 56.364 58.100 -0.124 0.000 1.160 157 Y CB 0.585 39.004 38.460 -0.068 0.000 1.123 157 Y HN 0.444 nan 8.280 nan 0.000 0.638 158 P HA 0.121 nan 4.420 nan 0.000 0.274 158 P C -0.519 176.786 177.300 0.010 0.000 1.237 158 P CA -0.213 62.878 63.100 -0.016 0.000 0.793 158 P CB 0.853 32.519 31.700 -0.058 0.000 0.977 159 N N 0.580 119.288 118.700 0.013 0.000 2.699 159 N HA -0.177 4.563 4.740 0.001 0.000 0.256 159 N C 1.000 176.528 175.510 0.029 0.000 0.993 159 N CA 1.151 54.214 53.050 0.022 0.000 0.759 159 N CB -1.933 36.570 38.487 0.026 0.000 0.906 159 N HN 0.927 nan 8.380 nan 0.000 0.541 160 G N -2.099 106.722 108.800 0.035 0.000 2.184 160 G HA2 -0.381 3.580 3.960 0.001 0.000 0.264 160 G HA3 -0.381 3.580 3.960 0.001 0.000 0.264 160 G C 0.350 175.283 174.900 0.054 0.000 0.975 160 G CA 0.351 45.472 45.100 0.037 0.000 0.642 160 G HN 0.625 nan 8.290 nan 0.000 0.536 161 S N 0.257 116.004 115.700 0.078 0.000 2.563 161 S HA 0.515 4.986 4.470 0.001 0.000 0.284 161 S C 0.769 175.486 174.600 0.195 0.000 1.331 161 S CA 0.325 58.596 58.200 0.119 0.000 1.047 161 S CB 0.811 64.068 63.200 0.096 0.000 0.859 161 S HN 0.652 nan 8.310 nan 0.000 0.514 162 R N 0.750 121.361 120.500 0.185 0.000 2.799 162 R HA 0.364 4.704 4.340 0.001 0.000 0.270 162 R C 0.752 177.166 176.300 0.190 0.000 1.010 162 R CA -0.920 55.242 56.100 0.104 0.000 0.916 162 R CB 0.794 31.103 30.300 0.016 0.000 1.228 162 R HN 0.439 nan 8.270 nan 0.000 0.469 163 L N 1.164 122.457 121.223 0.117 0.000 2.131 163 L HA -0.182 4.159 4.340 0.001 0.000 0.210 163 L C 0.645 177.539 176.870 0.040 0.000 1.092 163 L CA 1.941 56.882 54.840 0.169 0.000 0.759 163 L CB -0.194 41.913 42.059 0.081 0.000 0.903 163 L HN 0.691 nan 8.230 nan 0.000 0.435 164 D N 0.035 120.427 120.400 -0.014 0.000 2.172 164 D HA -0.248 4.392 4.640 0.001 0.000 0.196 164 D C 1.699 177.983 176.300 -0.027 0.000 0.999 164 D CA 1.497 55.449 54.000 -0.081 0.000 0.856 164 D CB -0.156 40.686 40.800 0.070 0.000 0.934 164 D HN 0.359 nan 8.370 nan 0.000 0.453 165 D N -0.390 120.031 120.400 0.035 0.000 2.178 165 D HA -0.126 4.514 4.640 0.001 0.000 0.201 165 D C 1.947 178.268 176.300 0.036 0.000 0.980 165 D CA 0.850 54.874 54.000 0.040 0.000 0.842 165 D CB -0.208 40.625 40.800 0.055 0.000 0.948 165 D HN 0.129 nan 8.370 nan 0.000 0.472 166 S N -0.076 115.665 115.700 0.069 0.000 2.377 166 S HA -0.010 4.460 4.470 0.001 0.000 0.223 166 S C 2.127 176.794 174.600 0.112 0.000 1.030 166 S CA 0.123 58.384 58.200 0.101 0.000 0.970 166 S CB -0.049 63.282 63.200 0.218 0.000 0.830 166 S HN 0.131 nan 8.310 nan 0.000 0.473 167 I N 1.453 122.082 120.570 0.099 0.000 2.286 167 I HA -0.064 4.106 4.170 0.001 0.000 0.248 167 I C 2.630 178.743 176.117 -0.007 0.000 1.115 167 I CA 1.082 62.419 61.300 0.061 0.000 1.392 167 I CB -0.742 37.063 38.000 -0.325 0.000 1.065 167 I HN 0.448 nan 8.210 nan 0.000 0.418 168 G N 0.577 109.359 108.800 -0.029 0.000 2.421 168 G HA2 -0.232 3.728 3.960 0.001 0.000 0.216 168 G HA3 -0.232 3.728 3.960 0.001 0.000 0.216 168 G C 1.888 176.778 174.900 -0.016 0.000 1.171 168 G CA 0.785 45.882 45.100 -0.005 0.000 0.775 168 G HN 0.474 nan 8.290 nan 0.000 0.543 169 A N 1.226 124.025 122.820 -0.035 0.000 1.908 169 A HA 0.194 4.514 4.320 0.001 0.000 0.218 169 A C 2.799 180.322 177.584 -0.102 0.000 1.181 169 A CA 2.394 54.395 52.037 -0.060 0.000 0.627 169 A CB -0.795 18.163 19.000 -0.070 0.000 0.818 169 A HN 0.846 nan 8.150 nan 0.000 0.445 170 A N -0.811 121.916 122.820 -0.154 0.000 1.972 170 A HA -0.181 4.139 4.320 0.001 0.000 0.219 170 A C 2.084 179.623 177.584 -0.075 0.000 1.169 170 A CA 1.563 53.474 52.037 -0.210 0.000 0.635 170 A CB -0.471 18.303 19.000 -0.376 0.000 0.810 170 A HN 0.688 nan 8.150 nan 0.000 0.446 171 Q N -1.110 118.678 119.800 -0.021 0.000 2.172 171 Q HA -0.089 4.251 4.340 0.001 0.000 0.200 171 Q C 2.308 178.304 176.000 -0.008 0.000 0.964 171 Q CA 1.190 56.998 55.803 0.009 0.000 0.855 171 Q CB -0.121 28.638 28.738 0.035 0.000 0.918 171 Q HN 0.693 nan 8.270 nan 0.000 0.444 172 R N 0.863 121.351 120.500 -0.021 0.000 2.066 172 R HA -0.071 4.270 4.340 0.001 0.000 0.232 172 R C 2.088 178.368 176.300 -0.034 0.000 1.131 172 R CA 1.084 57.171 56.100 -0.022 0.000 0.955 172 R CB -0.147 30.140 30.300 -0.022 0.000 0.851 172 R HN 0.249 nan 8.270 nan 0.000 0.432 173 I N -0.324 120.215 120.570 -0.053 0.000 2.761 173 I HA 0.012 4.183 4.170 0.001 0.000 0.261 173 I C 0.605 176.689 176.117 -0.055 0.000 1.198 173 I CA 1.249 62.513 61.300 -0.060 0.000 1.482 173 I CB 0.270 38.221 38.000 -0.083 0.000 1.100 173 I HN 0.600 nan 8.210 nan 0.000 0.445 174 G N 1.617 110.389 108.800 -0.047 0.000 2.132 174 G HA2 -0.309 3.652 3.960 0.001 0.000 0.228 174 G HA3 -0.309 3.652 3.960 0.001 0.000 0.228 174 G C 0.266 175.145 174.900 -0.034 0.000 1.000 174 G CA 0.265 45.345 45.100 -0.035 0.000 0.693 174 G HN 0.398 nan 8.290 nan 0.000 0.515 175 M N 0.428 120.001 119.600 -0.044 0.000 2.363 175 M HA 0.596 5.076 4.480 0.001 0.000 0.343 175 M C 0.696 177.018 176.300 0.036 0.000 1.165 175 M CA -1.003 54.280 55.300 -0.028 0.000 1.046 175 M CB 0.797 33.354 32.600 -0.072 0.000 1.648 175 M HN 0.208 nan 8.290 nan 0.000 0.452 176 R N 3.355 123.900 120.500 0.074 0.000 2.421 176 R HA 0.155 4.496 4.340 0.001 0.000 0.305 176 R C -1.723 174.745 176.300 0.280 0.000 1.039 176 R CA 0.180 56.371 56.100 0.152 0.000 1.003 176 R CB 0.323 30.701 30.300 0.130 0.000 0.959 176 R HN 0.579 nan 8.270 nan 0.000 0.427 177 F N 3.445 123.462 119.950 0.111 0.000 2.508 177 F HA 0.313 4.840 4.527 0.001 0.000 0.325 177 F C -0.827 175.101 175.800 0.214 0.000 1.090 177 F CA -1.357 56.724 58.000 0.136 0.000 0.945 177 F CB 1.491 40.524 39.000 0.055 0.000 1.156 177 F HN 0.553 nan 8.300 nan 0.000 0.463 178 H N 3.805 122.811 119.070 -0.108 0.000 2.530 178 H HA 0.569 5.125 4.556 0.001 0.000 0.246 178 H C -0.330 174.662 175.328 -0.560 0.000 1.346 178 H CA -0.454 55.461 56.048 -0.222 0.000 1.424 178 H CB 0.795 30.553 29.762 -0.007 0.000 1.445 178 H HN 0.667 nan 8.280 nan 0.000 0.511 179 A N 2.256 124.522 122.820 -0.922 0.000 2.409 179 A HA 0.465 4.786 4.320 0.001 0.000 0.267 179 A C 0.077 177.540 177.584 -0.201 0.000 1.127 179 A CA -0.249 51.292 52.037 -0.827 0.000 0.795 179 A CB 0.243 18.764 19.000 -0.798 0.000 1.061 179 A HN 0.537 nan 8.150 nan 0.000 0.502 180 S N 1.896 117.597 115.700 0.001 0.000 2.525 180 S HA 0.461 4.931 4.470 0.001 0.000 0.290 180 S C 0.200 174.924 174.600 0.206 0.000 1.152 180 S CA -0.722 57.559 58.200 0.135 0.000 1.072 180 S CB 1.048 64.396 63.200 0.247 0.000 1.027 180 S HN 0.635 nan 8.310 nan 0.000 0.500 181 R N 2.383 122.991 120.500 0.181 0.000 2.287 181 R HA 0.325 4.665 4.340 0.001 0.000 0.327 181 R C 0.328 176.819 176.300 0.318 0.000 1.109 181 R CA -0.327 55.907 56.100 0.224 0.000 1.013 181 R CB 0.038 30.394 30.300 0.094 0.000 1.126 181 R HN 0.853 nan 8.270 nan 0.000 0.503 182 G N 1.511 110.582 108.800 0.451 0.000 2.503 182 G HA2 0.528 4.488 3.960 0.001 0.000 0.257 182 G HA3 0.528 4.488 3.960 0.001 0.000 0.257 182 G C -1.033 174.117 174.900 0.416 0.000 1.214 182 G CA -0.161 45.220 45.100 0.470 0.000 0.839 182 G HN 0.663 nan 8.290 nan 0.000 0.559 183 A N 1.226 124.252 122.820 0.344 0.000 2.520 183 A HA 0.797 5.117 4.320 0.001 0.000 0.298 183 A C -0.586 177.129 177.584 0.218 0.000 1.051 183 A CA -0.628 51.569 52.037 0.268 0.000 0.690 183 A CB 1.488 20.610 19.000 0.202 0.000 1.281 183 A HN 0.652 nan 8.150 nan 0.000 0.402 184 M N 1.420 121.136 119.600 0.193 0.000 2.433 184 M HA 0.510 4.990 4.480 0.001 0.000 0.290 184 M C -0.597 175.766 176.300 0.105 0.000 1.173 184 M CA -0.294 55.096 55.300 0.150 0.000 0.905 184 M CB 2.691 35.397 32.600 0.177 0.000 1.692 184 M HN 0.717 nan 8.290 nan 0.000 0.462 203 P HA -0.107 nan 4.420 nan 0.000 0.223 203 P C 0.754 178.060 177.300 0.010 0.000 1.144 203 P CA 1.202 64.314 63.100 0.019 0.000 0.783 203 P CB 0.055 31.765 31.700 0.017 0.000 0.771 204 D N -0.951 119.455 120.400 0.010 0.000 2.123 204 D HA -0.089 4.552 4.640 0.001 0.000 0.200 204 D C 1.926 178.221 176.300 -0.009 0.000 0.976 204 D CA 0.908 54.906 54.000 -0.002 0.000 0.831 204 D CB -0.257 40.543 40.800 -0.000 0.000 0.974 204 D HN 0.067 nan 8.370 nan 0.000 0.469 205 I N 1.260 121.835 120.570 0.008 0.000 2.127 205 I HA -0.225 3.945 4.170 0.001 0.000 0.241 205 I C 2.655 178.772 176.117 -0.000 0.000 1.075 205 I CA 0.858 62.166 61.300 0.013 0.000 1.334 205 I CB -1.177 36.855 38.000 0.052 0.000 1.040 205 I HN 0.042 nan 8.210 nan 0.000 0.405 206 L N 0.108 121.335 121.223 0.008 0.000 2.012 206 L HA -0.220 4.121 4.340 0.001 0.000 0.210 206 L C 2.873 179.727 176.870 -0.027 0.000 1.073 206 L CA 1.447 56.285 54.840 -0.003 0.000 0.748 206 L CB -0.624 41.442 42.059 0.011 0.000 0.891 206 L HN 0.213 nan 8.230 nan 0.000 0.431 207 R N -0.260 120.227 120.500 -0.022 0.000 2.070 207 R HA -0.192 4.149 4.340 0.001 0.000 0.233 207 R C 2.048 178.318 176.300 -0.051 0.000 1.137 207 R CA 1.741 57.823 56.100 -0.030 0.000 0.945 207 R CB -0.653 29.635 30.300 -0.020 0.000 0.845 207 R HN 0.287 nan 8.270 nan 0.000 0.430 208 D N 0.145 120.512 120.400 -0.055 0.000 2.123 208 D HA -0.127 4.514 4.640 0.001 0.000 0.196 208 D C 1.581 177.832 176.300 -0.081 0.000 0.992 208 D CA 1.559 55.514 54.000 -0.076 0.000 0.833 208 D CB -0.087 40.647 40.800 -0.110 0.000 0.954 208 D HN 0.098 nan 8.370 nan 0.000 0.455 209 T N -0.108 114.399 114.554 -0.078 0.000 2.746 209 T HA -0.196 4.155 4.350 0.001 0.000 0.267 209 T C 1.847 176.452 174.700 -0.158 0.000 1.039 209 T CA 1.447 63.493 62.100 -0.090 0.000 1.142 209 T CB -0.266 68.560 68.868 -0.069 0.000 0.866 209 T HN 0.309 nan 8.240 nan 0.000 0.444 210 Q N 0.725 120.417 119.800 -0.181 0.000 2.079 210 Q HA -0.106 4.234 4.340 0.001 0.000 0.200 210 Q C 2.496 178.364 176.000 -0.220 0.000 0.974 210 Q CA 1.142 56.767 55.803 -0.296 0.000 0.840 210 Q CB -0.050 28.575 28.738 -0.189 0.000 0.898 210 Q HN 0.417 nan 8.270 nan 0.000 0.430 211 R N 0.150 120.580 120.500 -0.116 0.000 2.080 211 R HA -0.173 4.168 4.340 0.001 0.000 0.236 211 R C 2.282 178.545 176.300 -0.061 0.000 1.137 211 R CA 1.609 57.665 56.100 -0.075 0.000 0.943 211 R CB -0.399 29.873 30.300 -0.047 0.000 0.846 211 R HN 0.330 nan 8.270 nan 0.000 0.431 212 L N 0.615 121.827 121.223 -0.018 0.000 2.012 212 L HA -0.231 4.109 4.340 0.001 0.000 0.210 212 L C 2.583 179.497 176.870 0.073 0.000 1.073 212 L CA 1.522 56.426 54.840 0.106 0.000 0.748 212 L CB -0.475 41.637 42.059 0.088 0.000 0.891 212 L HN 0.286 nan 8.230 nan 0.000 0.431 213 I N -0.299 120.229 120.570 -0.070 0.000 2.118 213 I HA -0.321 3.850 4.170 0.001 0.000 0.241 213 I C 2.507 178.616 176.117 -0.014 0.000 1.070 213 I CA 1.610 62.850 61.300 -0.100 0.000 1.327 213 I CB -0.475 37.280 38.000 -0.408 0.000 1.034 213 I HN 0.314 nan 8.210 nan 0.000 0.405 214 E N 0.170 120.325 120.200 -0.074 0.000 2.153 214 E HA -0.172 4.179 4.350 0.001 0.000 0.194 214 E C 2.144 178.721 176.600 -0.039 0.000 0.988 214 E CA 1.796 58.208 56.400 0.019 0.000 0.811 214 E CB -0.134 29.585 29.700 0.031 0.000 0.746 214 E HN 0.528 nan 8.360 nan 0.000 0.466 215 T N -0.301 114.173 114.554 -0.134 0.000 2.809 215 T HA -0.066 4.284 4.350 0.001 0.000 0.260 215 T C 1.154 175.591 174.700 -0.439 0.000 1.039 215 T CA 1.033 62.919 62.100 -0.357 0.000 1.141 215 T CB -0.098 68.404 68.868 -0.610 0.000 0.869 215 T HN 0.205 nan 8.240 nan 0.000 0.437 216 Y N -0.812 119.502 120.300 0.024 0.000 2.535 216 Y HA 0.344 4.894 4.550 0.001 0.000 0.264 216 Y C 0.957 176.868 175.900 0.019 0.000 1.087 216 Y CA -1.008 57.105 58.100 0.022 0.000 1.285 216 Y CB -0.290 38.181 38.460 0.019 0.000 1.200 216 Y HN 0.195 nan 8.280 nan 0.000 0.514 217 H N 1.924 121.048 119.070 0.089 0.000 3.046 217 H HA 0.141 4.697 4.556 0.001 0.000 0.303 217 H C -0.885 174.455 175.328 0.020 0.000 1.002 217 H CA -0.041 56.023 56.048 0.027 0.000 1.460 217 H CB 0.199 29.963 29.762 0.003 0.000 1.493 217 H HN 0.030 nan 8.280 nan 0.000 0.559 218 D N 3.553 123.635 120.400 -0.529 0.000 2.440 218 D HA 0.047 4.687 4.640 0.001 0.000 0.239 218 D C 0.453 176.471 176.300 -0.470 0.000 1.084 218 D CA -0.605 53.189 54.000 -0.343 0.000 0.843 218 D CB 0.733 41.436 40.800 -0.160 0.000 1.097 218 D HN 0.850 nan 8.370 nan 0.000 0.531 219 E N 1.903 121.942 120.200 -0.270 0.000 2.489 219 E HA 0.162 4.512 4.350 0.001 0.000 0.193 219 E C 0.977 177.528 176.600 -0.082 0.000 1.057 219 E CA -0.564 55.764 56.400 -0.121 0.000 0.866 219 E CB 0.222 29.955 29.700 0.055 0.000 0.916 219 E HN 0.332 nan 8.360 nan 0.000 0.500 220 G N 1.617 110.366 108.800 -0.084 0.000 2.483 220 G HA2 0.119 4.079 3.960 0.001 0.000 0.248 220 G HA3 0.119 4.079 3.960 0.001 0.000 0.248 220 G C -0.316 174.527 174.900 -0.093 0.000 1.248 220 G CA -0.656 44.406 45.100 -0.063 0.000 0.838 220 G HN 0.077 nan 8.290 nan 0.000 0.566 221 R N 0.511 120.918 120.500 -0.155 0.000 2.678 221 R HA 0.039 4.380 4.340 0.001 0.000 0.264 221 R C 0.014 176.143 176.300 -0.285 0.000 0.995 221 R CA 0.556 56.434 56.100 -0.371 0.000 1.098 221 R CB -0.310 29.616 30.300 -0.623 0.000 0.949 221 R HN 0.712 nan 8.270 nan 0.000 0.422 222 Y N -1.287 119.017 120.300 0.006 0.000 4.668 222 Y HA -0.295 4.255 4.550 0.001 0.000 0.234 222 Y C 0.396 176.299 175.900 0.005 0.000 1.056 222 Y CA 0.293 58.398 58.100 0.009 0.000 2.025 222 Y CB -2.575 35.888 38.460 0.005 0.000 1.613 222 Y HN 0.698 nan 8.280 nan 0.000 0.653 223 A N 0.652 123.510 122.820 0.064 0.000 2.540 223 A HA 0.326 4.646 4.320 0.001 0.000 0.239 223 A C 1.267 178.885 177.584 0.056 0.000 1.061 223 A CA 0.379 52.429 52.037 0.023 0.000 0.758 223 A CB 0.199 19.152 19.000 -0.079 0.000 0.991 223 A HN 0.355 nan 8.150 nan 0.000 0.502 224 M N 1.461 121.096 119.600 0.057 0.000 2.509 224 M HA 0.279 4.759 4.480 0.001 0.000 0.250 224 M C 0.060 176.417 176.300 0.096 0.000 1.132 224 M CA 0.946 56.298 55.300 0.087 0.000 1.080 224 M CB -0.660 31.985 32.600 0.076 0.000 1.408 224 M HN 0.644 nan 8.290 nan 0.000 0.484 225 L N 0.449 121.685 121.223 0.023 0.000 2.464 225 L HA 0.490 4.830 4.340 0.001 0.000 0.266 225 L C -1.143 175.626 176.870 -0.168 0.000 0.965 225 L CA -0.435 54.401 54.840 -0.008 0.000 0.833 225 L CB 2.220 44.314 42.059 0.058 0.000 1.296 225 L HN 0.077 nan 8.230 nan 0.000 0.405 226 R N 2.829 123.179 120.500 -0.250 0.000 2.707 226 R HA 0.696 5.037 4.340 0.001 0.000 0.272 226 R C -1.670 174.601 176.300 -0.049 0.000 1.011 226 R CA -0.784 55.168 56.100 -0.246 0.000 0.893 226 R CB 2.778 32.740 30.300 -0.562 0.000 1.233 226 R HN 0.322 nan 8.270 nan 0.000 0.464 227 V N 1.717 121.819 119.914 0.313 0.000 2.769 227 V HA 0.638 4.758 4.120 0.001 0.000 0.312 227 V C -0.501 175.581 176.094 -0.020 0.000 1.058 227 V CA -0.747 61.585 62.300 0.053 0.000 0.952 227 V CB 1.941 33.786 31.823 0.038 0.000 1.019 227 V HN 0.539 nan 8.190 nan 0.000 0.445 228 V N 3.902 123.806 119.914 -0.017 0.000 2.925 228 V HA 0.677 4.797 4.120 0.001 0.000 0.311 228 V C -0.956 175.122 176.094 -0.026 0.000 1.104 228 V CA -0.467 61.827 62.300 -0.011 0.000 0.954 228 V CB 2.579 34.456 31.823 0.090 0.000 1.022 228 V HN 0.607 nan 8.190 nan 0.000 0.427 229 V N 5.338 125.210 119.914 -0.070 0.000 2.406 229 V HA 0.798 4.918 4.120 0.001 0.000 0.272 229 V C 0.582 176.693 176.094 0.028 0.000 1.043 229 V CA 0.460 62.740 62.300 -0.033 0.000 0.915 229 V CB 0.918 32.681 31.823 -0.100 0.000 0.988 229 V HN 1.296 nan 8.190 nan 0.000 0.466 230 A N 7.679 130.579 122.820 0.134 0.000 3.007 230 A HA 0.627 4.947 4.320 0.001 0.000 0.314 230 A C -2.723 175.040 177.584 0.299 0.000 1.153 230 A CA -1.248 50.883 52.037 0.157 0.000 0.780 230 A CB 0.832 19.803 19.000 -0.049 0.000 1.258 230 A HN 0.575 nan 8.150 nan 0.000 0.460 231 P HA 0.065 nan 4.420 nan 0.000 0.271 231 P C 1.266 178.675 177.300 0.181 0.000 1.216 231 P CA -0.090 63.132 63.100 0.204 0.000 0.776 231 P CB 1.195 32.969 31.700 0.124 0.000 0.881 232 C N 2.861 122.269 119.300 0.179 0.000 2.349 232 C HA -0.138 4.323 4.460 0.001 0.000 0.274 232 C C 1.372 176.479 174.990 0.196 0.000 1.178 232 C CA 2.225 61.309 59.018 0.109 0.000 1.769 232 C CB -1.107 26.480 27.740 -0.256 0.000 2.047 232 C HN 0.875 nan 8.230 nan 0.000 0.448 233 S N -3.149 112.602 115.700 0.086 0.000 2.587 233 S HA 0.414 4.884 4.470 0.001 0.000 0.269 233 S C -2.350 172.212 174.600 -0.062 0.000 1.154 233 S CA -0.682 57.543 58.200 0.042 0.000 0.824 233 S CB 1.071 64.385 63.200 0.189 0.000 1.118 233 S HN -0.038 nan 8.310 nan 0.000 0.462 234 P HA -0.001 nan 4.420 nan 0.000 0.217 234 P C 0.748 177.939 177.300 -0.182 0.000 1.148 234 P CA 1.259 64.218 63.100 -0.234 0.000 0.828 234 P CB -0.151 31.361 31.700 -0.314 0.000 0.783 235 F N -1.464 118.512 119.950 0.043 0.000 2.558 235 F HA 0.033 4.560 4.527 0.001 0.000 0.298 235 F C 2.483 178.321 175.800 0.064 0.000 1.119 235 F CA 0.892 58.928 58.000 0.060 0.000 1.451 235 F CB -1.182 37.869 39.000 0.085 0.000 1.091 235 F HN -0.069 nan 8.300 nan 0.000 0.563 236 S N -0.376 115.446 115.700 0.204 0.000 2.446 236 S HA 0.078 4.548 4.470 0.001 0.000 0.225 236 S C 0.596 175.261 174.600 0.109 0.000 1.016 236 S CA 0.593 58.881 58.200 0.147 0.000 0.943 236 S CB -0.385 62.885 63.200 0.116 0.000 0.786 236 S HN 0.041 nan 8.310 nan 0.000 0.508 237 V N -0.334 119.634 119.914 0.089 0.000 3.160 237 V HA 0.791 4.911 4.120 0.001 0.000 0.310 237 V C -0.061 176.082 176.094 0.082 0.000 1.181 237 V CA -0.641 61.707 62.300 0.080 0.000 1.047 237 V CB 1.170 33.038 31.823 0.074 0.000 1.068 237 V HN 0.283 nan 8.190 nan 0.000 0.441 238 S N 1.217 116.965 115.700 0.080 0.000 2.579 238 S HA 0.234 4.704 4.470 0.001 0.000 0.275 238 S C 1.078 175.731 174.600 0.089 0.000 1.345 238 S CA 0.249 58.501 58.200 0.087 0.000 1.031 238 S CB 0.635 63.879 63.200 0.074 0.000 0.892 238 S HN 1.173 nan 8.310 nan 0.000 0.529 239 R N 0.743 121.311 120.500 0.113 0.000 2.237 239 R HA -0.037 4.304 4.340 0.001 0.000 0.219 239 R C 0.448 176.782 176.300 0.057 0.000 1.080 239 R CA 1.209 57.365 56.100 0.094 0.000 0.995 239 R CB -0.559 29.832 30.300 0.152 0.000 0.875 239 R HN 0.558 nan 8.270 nan 0.000 0.462 240 D N 1.385 121.824 120.400 0.066 0.000 2.103 240 D HA -0.118 4.522 4.640 0.001 0.000 0.199 240 D C 1.916 178.258 176.300 0.070 0.000 0.978 240 D CA 0.731 54.767 54.000 0.059 0.000 0.829 240 D CB -0.154 40.678 40.800 0.054 0.000 0.981 240 D HN 0.121 nan 8.370 nan 0.000 0.464 241 L N 0.590 121.859 121.223 0.076 0.000 2.083 241 L HA -0.114 4.227 4.340 0.001 0.000 0.209 241 L C 1.889 178.839 176.870 0.133 0.000 1.083 241 L CA 1.240 56.134 54.840 0.090 0.000 0.752 241 L CB -0.461 41.649 42.059 0.085 0.000 0.899 241 L HN 0.018 nan 8.230 nan 0.000 0.433 242 M N -0.447 119.227 119.600 0.124 0.000 2.159 242 M HA -0.196 4.285 4.480 0.001 0.000 0.263 242 M C 2.307 178.822 176.300 0.358 0.000 1.063 242 M CA 1.497 56.923 55.300 0.209 0.000 1.110 242 M CB -0.993 31.584 32.600 -0.038 0.000 1.374 242 M HN 0.304 nan 8.290 nan 0.000 0.411 243 R N 0.112 120.718 120.500 0.178 0.000 2.061 243 R HA -0.130 4.211 4.340 0.001 0.000 0.230 243 R C 1.878 178.235 176.300 0.096 0.000 1.140 243 R CA 1.392 57.569 56.100 0.129 0.000 0.940 243 R CB -0.371 29.968 30.300 0.065 0.000 0.839 243 R HN 0.357 nan 8.270 nan 0.000 0.429 244 D N 0.794 121.244 120.400 0.083 0.000 2.126 244 D HA -0.215 4.425 4.640 0.001 0.000 0.190 244 D C 1.841 178.171 176.300 0.049 0.000 1.001 244 D CA 1.787 55.822 54.000 0.057 0.000 0.841 244 D CB -0.402 40.432 40.800 0.056 0.000 0.949 244 D HN 0.266 nan 8.370 nan 0.000 0.446 245 A N 1.320 124.196 122.820 0.092 0.000 1.892 245 A HA -0.165 4.155 4.320 0.001 0.000 0.218 245 A C 2.390 179.933 177.584 -0.067 0.000 1.188 245 A CA 2.933 55.011 52.037 0.069 0.000 0.631 245 A CB -0.911 18.225 19.000 0.227 0.000 0.822 245 A HN 0.279 nan 8.150 nan 0.000 0.447 246 A N -0.880 121.882 122.820 -0.096 0.000 1.865 246 A HA -0.080 4.240 4.320 0.001 0.000 0.217 246 A C 2.395 179.861 177.584 -0.197 0.000 1.191 246 A CA 2.071 53.910 52.037 -0.329 0.000 0.623 246 A CB -1.216 17.613 19.000 -0.285 0.000 0.826 246 A HN 0.943 nan 8.150 nan 0.000 0.444 247 V N -0.451 119.410 119.914 -0.089 0.000 2.427 247 V HA -0.152 3.968 4.120 0.001 0.000 0.248 247 V C 2.326 178.401 176.094 -0.031 0.000 1.051 247 V CA 2.170 64.436 62.300 -0.057 0.000 1.048 247 V CB -0.367 31.442 31.823 -0.023 0.000 0.666 247 V HN 0.544 nan 8.190 nan 0.000 0.456 248 L N 1.084 122.298 121.223 -0.014 0.000 2.046 248 L HA -0.014 4.326 4.340 0.001 0.000 0.208 248 L C 2.464 179.358 176.870 0.041 0.000 1.077 248 L CA 2.664 57.525 54.840 0.036 0.000 0.747 248 L CB -1.174 40.888 42.059 0.005 0.000 0.896 248 L HN 0.318 nan 8.230 nan 0.000 0.432 249 A N -0.652 122.127 122.820 -0.067 0.000 1.873 249 A HA -0.192 4.128 4.320 0.001 0.000 0.215 249 A C 2.322 179.870 177.584 -0.058 0.000 1.186 249 A CA 1.559 53.536 52.037 -0.100 0.000 0.616 249 A CB -0.532 18.342 19.000 -0.210 0.000 0.823 249 A HN 0.397 nan 8.150 nan 0.000 0.442 250 R N -0.078 120.368 120.500 -0.089 0.000 2.105 250 R HA -0.123 4.218 4.340 0.001 0.000 0.239 250 R C 2.038 178.313 176.300 -0.042 0.000 1.135 250 R CA 1.612 57.666 56.100 -0.077 0.000 0.967 250 R CB -0.616 29.628 30.300 -0.093 0.000 0.861 250 R HN 0.805 nan 8.270 nan 0.000 0.442 251 E N -1.265 118.932 120.200 -0.004 0.000 2.110 251 E HA -0.191 4.159 4.350 0.001 0.000 0.193 251 E C 0.683 177.224 176.600 -0.100 0.000 0.988 251 E CA 1.126 57.509 56.400 -0.029 0.000 0.804 251 E CB 0.048 29.776 29.700 0.047 0.000 0.745 251 E HN 0.403 nan 8.360 nan 0.000 0.458 252 Y N -1.326 118.917 120.300 -0.096 0.000 2.449 252 Y HA 0.279 4.830 4.550 0.001 0.000 0.254 252 Y C 1.262 177.091 175.900 -0.117 0.000 1.140 252 Y CA 0.473 58.512 58.100 -0.102 0.000 1.272 252 Y CB 1.461 39.844 38.460 -0.129 0.000 1.114 252 Y HN 0.164 nan 8.280 nan 0.000 0.525 253 G N 0.891 109.697 108.800 0.008 0.000 2.137 253 G HA2 -0.228 3.732 3.960 0.001 0.000 0.237 253 G HA3 -0.228 3.732 3.960 0.001 0.000 0.237 253 G C 0.110 174.972 174.900 -0.062 0.000 1.002 253 G CA 0.242 45.330 45.100 -0.021 0.000 0.702 253 G HN 0.416 nan 8.290 nan 0.000 0.515 254 V N -2.920 116.913 119.914 -0.135 0.000 3.211 254 V HA 0.957 5.077 4.120 0.001 0.000 0.319 254 V C 0.653 176.687 176.094 -0.100 0.000 1.096 254 V CA -0.075 62.103 62.300 -0.204 0.000 1.029 254 V CB 1.679 33.292 31.823 -0.351 0.000 1.137 254 V HN 0.519 nan 8.190 nan 0.000 0.453 255 S N 0.890 116.568 115.700 -0.036 0.000 2.687 255 S HA 0.761 5.231 4.470 0.001 0.000 0.283 255 S C -0.438 174.071 174.600 -0.152 0.000 1.170 255 S CA -0.619 57.575 58.200 -0.011 0.000 1.008 255 S CB 1.196 64.539 63.200 0.239 0.000 1.026 255 S HN 0.660 nan 8.310 nan 0.000 0.541 256 L N 1.676 122.732 121.223 -0.279 0.000 2.334 256 L HA 0.585 4.925 4.340 0.001 0.000 0.273 256 L C -0.122 176.490 176.870 -0.430 0.000 1.013 256 L CA -0.468 54.073 54.840 -0.498 0.000 0.816 256 L CB 1.446 42.855 42.059 -1.082 0.000 1.278 256 L HN 0.699 nan 8.230 nan 0.000 0.431 257 H N 0.924 119.723 119.070 -0.453 0.000 3.038 257 H HA 0.493 5.049 4.556 0.001 0.000 0.362 257 H C -1.781 173.304 175.328 -0.406 0.000 1.167 257 H CA -0.268 55.286 56.048 -0.823 0.000 1.197 257 H CB 2.576 31.460 29.762 -1.462 0.000 1.840 257 H HN 0.595 nan 8.280 nan 0.000 0.540 258 T N 1.932 115.997 114.554 -0.814 0.000 2.722 258 T HA 0.155 4.505 4.350 0.001 0.000 0.314 258 T C -1.685 172.720 174.700 -0.492 0.000 1.675 258 T CA -0.682 61.047 62.100 -0.619 0.000 1.003 258 T CB 0.900 69.537 68.868 -0.385 0.000 1.602 258 T HN 0.716 nan 8.240 nan 0.000 0.496 259 H N 1.086 120.067 119.070 -0.147 0.000 2.819 259 H HA 0.592 5.148 4.556 0.001 0.000 0.303 259 H C -0.427 174.948 175.328 0.079 0.000 1.058 259 H CA -0.168 55.883 56.048 0.005 0.000 1.471 259 H CB 0.755 30.604 29.762 0.146 0.000 1.480 259 H HN 0.213 nan 8.280 nan 0.000 0.517 260 L N 2.539 123.917 121.223 0.257 0.000 2.406 260 L HA 0.470 4.811 4.340 0.001 0.000 0.272 260 L C -0.236 176.746 176.870 0.186 0.000 0.980 260 L CA -0.217 54.738 54.840 0.192 0.000 0.831 260 L CB 1.145 43.286 42.059 0.137 0.000 1.253 260 L HN 0.863 nan 8.230 nan 0.000 0.406 261 A N 3.341 126.252 122.820 0.151 0.000 2.610 261 A HA -0.224 4.097 4.320 0.001 0.000 0.299 261 A C 1.422 179.083 177.584 0.128 0.000 1.487 261 A CA 1.363 53.475 52.037 0.125 0.000 0.743 261 A CB -1.842 17.202 19.000 0.072 0.000 1.070 261 A HN 0.936 nan 8.150 nan 0.000 0.439 262 E N 0.247 120.524 120.200 0.129 0.000 2.072 262 E HA -0.140 4.210 4.350 0.001 0.000 0.190 262 E C 1.062 177.637 176.600 -0.042 0.000 0.982 262 E CA 1.234 57.654 56.400 0.034 0.000 0.803 262 E CB -0.052 29.602 29.700 -0.077 0.000 0.755 262 E HN 1.000 nan 8.360 nan 0.000 0.453 263 N N -1.851 116.828 118.700 -0.035 0.000 3.102 263 N HA 0.035 4.775 4.740 0.001 0.000 0.299 263 N C 0.874 176.369 175.510 -0.026 0.000 1.482 263 N CA -0.330 52.683 53.050 -0.062 0.000 0.785 263 N CB 1.296 39.700 38.487 -0.138 0.000 1.680 263 N HN -0.177 nan 8.380 nan 0.000 0.594 264 V N 1.031 120.922 119.914 -0.038 0.000 2.407 264 V HA -0.226 3.894 4.120 0.001 0.000 0.248 264 V C 2.056 178.150 176.094 0.001 0.000 1.055 264 V CA 1.836 64.129 62.300 -0.013 0.000 1.049 264 V CB -1.146 30.666 31.823 -0.018 0.000 0.662 264 V HN 0.615 nan 8.190 nan 0.000 0.455 265 N N 0.028 118.709 118.700 -0.032 0.000 2.223 265 N HA -0.186 4.554 4.740 0.001 0.000 0.185 265 N C 1.399 176.914 175.510 0.008 0.000 1.016 265 N CA 1.329 54.377 53.050 -0.003 0.000 0.863 265 N CB -0.157 38.292 38.487 -0.063 0.000 0.983 265 N HN 0.502 nan 8.380 nan 0.000 0.429 266 D N 1.010 121.428 120.400 0.029 0.000 2.097 266 D HA -0.104 4.536 4.640 0.001 0.000 0.195 266 D C 1.776 178.211 176.300 0.225 0.000 0.989 266 D CA 0.561 54.660 54.000 0.165 0.000 0.827 266 D CB -0.148 40.775 40.800 0.204 0.000 0.966 266 D HN 0.149 nan 8.370 nan 0.000 0.456 267 I N 0.601 121.247 120.570 0.127 0.000 2.614 267 I HA -0.049 4.121 4.170 0.001 0.000 0.258 267 I C 1.842 178.028 176.117 0.115 0.000 1.189 267 I CA 0.545 61.907 61.300 0.104 0.000 1.462 267 I CB -0.458 37.575 38.000 0.055 0.000 1.092 267 I HN -0.058 nan 8.210 nan 0.000 0.442 268 A N -0.907 121.978 122.820 0.109 0.000 2.139 268 A HA -0.156 4.164 4.320 0.001 0.000 0.221 268 A C 0.897 178.613 177.584 0.221 0.000 1.159 268 A CA 1.552 53.658 52.037 0.115 0.000 0.662 268 A CB -0.600 18.446 19.000 0.076 0.000 0.796 268 A HN 0.555 nan 8.150 nan 0.000 0.463 278 P HA 0.042 nan 4.420 nan 0.000 0.215 278 P C 1.869 179.155 177.300 -0.024 0.000 1.157 278 P CA 1.921 65.001 63.100 -0.033 0.000 0.868 278 P CB -0.332 31.355 31.700 -0.020 0.000 0.788 279 A N -0.058 122.711 122.820 -0.086 0.000 1.908 279 A HA -0.265 4.056 4.320 0.001 0.000 0.218 279 A C 2.102 179.680 177.584 -0.010 0.000 1.181 279 A CA 1.890 53.853 52.037 -0.124 0.000 0.627 279 A CB -1.154 17.656 19.000 -0.318 0.000 0.818 279 A HN 0.228 nan 8.150 nan 0.000 0.445 280 E N -1.716 118.481 120.200 -0.005 0.000 2.015 280 E HA -0.194 4.156 4.350 0.001 0.000 0.191 280 E C 1.942 178.581 176.600 0.065 0.000 0.991 280 E CA 1.334 57.751 56.400 0.028 0.000 0.802 280 E CB -0.409 29.302 29.700 0.018 0.000 0.759 280 E HN 0.703 nan 8.360 nan 0.000 0.447 281 Y N 1.463 121.721 120.300 -0.070 0.000 2.283 281 Y HA -0.290 4.260 4.550 0.001 0.000 0.285 281 Y C 2.067 177.935 175.900 -0.053 0.000 1.176 281 Y CA 1.240 59.286 58.100 -0.090 0.000 1.229 281 Y CB -0.324 38.032 38.460 -0.174 0.000 0.975 281 Y HN 0.028 nan 8.280 nan 0.000 0.537 282 A N -0.187 122.626 122.820 -0.011 0.000 1.874 282 A HA -0.154 4.166 4.320 0.001 0.000 0.214 282 A C 2.226 179.871 177.584 0.102 0.000 1.189 282 A CA 1.386 53.439 52.037 0.027 0.000 0.615 282 A CB -0.814 18.271 19.000 0.142 0.000 0.830 282 A HN 0.579 nan 8.150 nan 0.000 0.443 283 E N -0.078 120.186 120.200 0.105 0.000 2.153 283 E HA -0.218 4.132 4.350 0.001 0.000 0.194 283 E C 0.855 177.483 176.600 0.046 0.000 0.988 283 E CA 1.343 57.804 56.400 0.102 0.000 0.811 283 E CB -0.139 29.616 29.700 0.091 0.000 0.746 283 E HN 0.548 nan 8.360 nan 0.000 0.466 284 D N 0.029 120.426 120.400 -0.007 0.000 2.317 284 D HA -0.058 4.582 4.640 0.001 0.000 0.211 284 D C 1.284 177.542 176.300 -0.070 0.000 0.966 284 D CA 0.359 54.337 54.000 -0.038 0.000 0.876 284 D CB 0.408 41.180 40.800 -0.046 0.000 0.927 284 D HN 0.258 nan 8.370 nan 0.000 0.519 285 L N -0.481 120.694 121.223 -0.080 0.000 2.640 285 L HA 0.185 4.525 4.340 0.001 0.000 0.230 285 L C 1.500 178.477 176.870 0.179 0.000 1.123 285 L CA 0.507 55.342 54.840 -0.009 0.000 0.900 285 L CB 0.038 42.008 42.059 -0.147 0.000 1.146 285 L HN 0.085 nan 8.230 nan 0.000 0.484 286 G N -0.916 107.959 108.800 0.125 0.000 2.176 286 G HA2 -0.300 3.661 3.960 0.001 0.000 0.253 286 G HA3 -0.300 3.661 3.960 0.001 0.000 0.253 286 G C -0.094 174.847 174.900 0.067 0.000 0.979 286 G CA -0.107 45.035 45.100 0.070 0.000 0.641 286 G HN 0.359 nan 8.290 nan 0.000 0.530 287 W N 1.176 122.465 121.300 -0.018 0.000 1.438 287 W HA 0.534 5.194 4.660 0.001 0.000 0.455 287 W C 0.676 177.242 176.519 0.079 0.000 0.656 287 W CA 0.251 57.607 57.345 0.019 0.000 2.049 287 W CB -0.107 29.389 29.460 0.061 0.000 1.683 287 W HN 0.752 nan 8.180 nan 0.000 0.228 288 V N -0.247 119.746 119.914 0.131 0.000 3.147 288 V HA 1.016 5.136 4.120 0.001 0.000 0.299 288 V C -0.061 176.046 176.094 0.022 0.000 1.302 288 V CA -0.704 61.654 62.300 0.098 0.000 1.015 288 V CB 1.418 33.334 31.823 0.155 0.000 1.086 288 V HN 0.626 nan 8.190 nan 0.000 0.437 289 G N 0.958 109.778 108.800 0.033 0.000 2.354 289 G HA2 0.050 4.010 3.960 0.001 0.000 0.582 289 G HA3 0.050 4.010 3.960 0.001 0.000 0.582 289 G C -0.194 174.788 174.900 0.137 0.000 1.316 289 G CA 0.005 45.125 45.100 0.033 0.000 0.995 289 G HN 1.336 nan 8.290 nan 0.000 0.573 290 H N -0.055 119.009 119.070 -0.010 0.000 2.489 290 H HA -0.046 4.510 4.556 0.001 0.000 0.293 290 H C 1.522 176.853 175.328 0.006 0.000 1.066 290 H CA 1.157 57.203 56.048 -0.003 0.000 1.305 290 H CB 0.326 30.084 29.762 -0.005 0.000 1.386 290 H HN 0.492 nan 8.280 nan 0.000 0.551 291 D N 0.456 120.917 120.400 0.102 0.000 2.395 291 D HA 0.088 4.728 4.640 0.001 0.000 0.226 291 D C 0.088 176.410 176.300 0.036 0.000 1.146 291 D CA 0.024 54.060 54.000 0.060 0.000 0.830 291 D CB -0.152 40.642 40.800 -0.009 0.000 0.958 291 D HN 0.029 nan 8.370 nan 0.000 0.501 292 V N 0.003 119.956 119.914 0.066 0.000 3.130 292 V HA 0.783 4.904 4.120 0.001 0.000 0.310 292 V C -1.442 174.749 176.094 0.161 0.000 1.158 292 V CA -1.184 61.118 62.300 0.003 0.000 1.029 292 V CB 2.264 34.030 31.823 -0.095 0.000 1.057 292 V HN 0.388 nan 8.190 nan 0.000 0.436 293 W N 1.740 122.907 121.300 -0.221 0.000 3.901 293 W HA 0.726 5.387 4.660 0.001 0.000 0.274 293 W C -2.032 174.405 176.519 -0.137 0.000 1.278 293 W CA -0.514 56.739 57.345 -0.154 0.000 1.235 293 W CB 0.382 29.764 29.460 -0.131 0.000 1.261 293 W HN 0.593 nan 8.180 nan 0.000 0.546 294 H N 3.087 122.235 119.070 0.130 0.000 2.469 294 H HA 0.748 5.305 4.556 0.001 0.000 0.342 294 H C 0.371 175.758 175.328 0.099 0.000 1.115 294 H CA -0.187 55.893 56.048 0.053 0.000 1.204 294 H CB 1.955 31.775 29.762 0.097 0.000 1.492 294 H HN 0.725 nan 8.280 nan 0.000 0.499 295 A N 2.724 125.528 122.820 -0.026 0.000 2.425 295 A HA 0.303 4.623 4.320 0.001 0.000 0.249 295 A C 0.160 177.682 177.584 -0.103 0.000 1.084 295 A CA 0.077 51.940 52.037 -0.289 0.000 0.781 295 A CB -0.141 18.165 19.000 -1.157 0.000 1.019 295 A HN 1.039 nan 8.150 nan 0.000 0.490 296 H N 0.159 119.314 119.070 0.141 0.000 4.642 296 H HA -0.247 4.309 4.556 0.001 0.000 0.072 296 H C 1.250 176.688 175.328 0.183 0.000 0.606 296 H CA 1.071 57.224 56.048 0.175 0.000 1.026 296 H CB -1.930 27.919 29.762 0.146 0.000 0.752 296 H HN 1.462 nan 8.280 nan 0.000 0.823 297 C N 0.614 120.101 119.300 0.312 0.000 4.259 297 C HA -0.061 4.400 4.460 0.001 0.000 0.294 297 C C 1.417 176.498 174.990 0.153 0.000 1.459 297 C CA 0.571 59.719 59.018 0.218 0.000 2.016 297 C CB -2.751 25.140 27.740 0.251 0.000 1.274 297 C HN 0.634 nan 8.230 nan 0.000 0.792 298 V N 0.801 120.811 119.914 0.160 0.000 2.614 298 V HA 0.458 4.578 4.120 0.001 0.000 0.291 298 V C 0.863 176.998 176.094 0.068 0.000 1.049 298 V CA 1.347 63.711 62.300 0.107 0.000 1.038 298 V CB 1.308 33.191 31.823 0.101 0.000 0.980 298 V HN 0.737 nan 8.190 nan 0.000 0.481 299 Q N 1.779 121.609 119.800 0.050 0.000 2.501 299 Q HA -0.173 4.167 4.340 0.001 0.000 0.275 299 Q C -0.468 175.536 176.000 0.008 0.000 1.074 299 Q CA 0.835 56.656 55.803 0.029 0.000 0.974 299 Q CB -1.350 27.404 28.738 0.026 0.000 1.307 299 Q HN 0.854 nan 8.270 nan 0.000 0.513 300 L N 1.493 122.714 121.223 -0.004 0.000 2.319 300 L HA 0.269 4.609 4.340 0.001 0.000 0.280 300 L C 0.353 177.172 176.870 -0.086 0.000 1.099 300 L CA 0.258 55.061 54.840 -0.061 0.000 0.828 300 L CB 0.830 42.845 42.059 -0.074 0.000 1.150 300 L HN 0.046 nan 8.230 nan 0.000 0.442 301 D N 3.042 123.376 120.400 -0.109 0.000 2.515 301 D HA -0.134 4.506 4.640 0.001 0.000 0.232 301 D C 0.409 176.643 176.300 -0.110 0.000 1.157 301 D CA 0.361 54.303 54.000 -0.097 0.000 0.871 301 D CB 1.006 41.742 40.800 -0.106 0.000 1.200 301 D HN 0.722 nan 8.370 nan 0.000 0.466 302 D N 2.179 122.533 120.400 -0.077 0.000 2.117 302 D HA -0.134 4.506 4.640 0.001 0.000 0.197 302 D C 1.783 178.032 176.300 -0.084 0.000 0.987 302 D CA 1.807 55.763 54.000 -0.073 0.000 0.829 302 D CB -0.030 40.740 40.800 -0.051 0.000 0.961 302 D HN 0.486 nan 8.370 nan 0.000 0.460 303 A N 0.573 123.345 122.820 -0.081 0.000 1.877 303 A HA -0.024 4.296 4.320 0.001 0.000 0.216 303 A C 2.397 179.903 177.584 -0.130 0.000 1.186 303 A CA 1.975 53.964 52.037 -0.080 0.000 0.620 303 A CB -1.314 17.648 19.000 -0.063 0.000 0.822 303 A HN 0.304 nan 8.150 nan 0.000 0.443 304 G N 0.144 108.828 108.800 -0.194 0.000 2.469 304 G HA2 -0.257 3.703 3.960 0.001 0.000 0.219 304 G HA3 -0.257 3.703 3.960 0.001 0.000 0.219 304 G C 1.521 176.150 174.900 -0.452 0.000 1.150 304 G CA 1.239 46.114 45.100 -0.375 0.000 0.763 304 G HN 0.498 nan 8.290 nan 0.000 0.561 305 I N 1.177 121.587 120.570 -0.267 0.000 2.226 305 I HA -0.101 4.069 4.170 0.001 0.000 0.245 305 I C 3.086 179.168 176.117 -0.059 0.000 1.100 305 I CA 1.016 62.225 61.300 -0.152 0.000 1.374 305 I CB -0.497 37.450 38.000 -0.089 0.000 1.057 305 I HN 0.258 nan 8.210 nan 0.000 0.413 306 G N 1.024 109.789 108.800 -0.058 0.000 2.422 306 G HA2 -0.252 3.709 3.960 0.001 0.000 0.218 306 G HA3 -0.252 3.709 3.960 0.001 0.000 0.218 306 G C 1.631 176.549 174.900 0.029 0.000 1.146 306 G CA 0.586 45.680 45.100 -0.009 0.000 0.769 306 G HN 0.246 nan 8.290 nan 0.000 0.547 307 L N 0.023 121.248 121.223 0.004 0.000 1.976 307 L HA 0.127 4.467 4.340 0.001 0.000 0.209 307 L C 2.635 179.661 176.870 0.259 0.000 1.071 307 L CA 1.638 56.530 54.840 0.086 0.000 0.746 307 L CB -0.850 41.228 42.059 0.033 0.000 0.890 307 L HN 0.309 nan 8.230 nan 0.000 0.432 308 F N -0.396 119.581 119.950 0.044 0.000 2.161 308 F HA -0.284 4.244 4.527 0.001 0.000 0.300 308 F C 2.491 178.332 175.800 0.069 0.000 1.089 308 F CA 0.413 58.456 58.000 0.072 0.000 1.282 308 F CB -0.520 38.524 39.000 0.072 0.000 1.010 308 F HN 0.331 nan 8.300 nan 0.000 0.485 309 A N 0.726 123.691 122.820 0.241 0.000 1.883 309 A HA -0.216 4.105 4.320 0.001 0.000 0.217 309 A C 2.170 179.826 177.584 0.121 0.000 1.186 309 A CA 1.625 53.745 52.037 0.139 0.000 0.624 309 A CB -0.652 18.398 19.000 0.083 0.000 0.822 309 A HN 0.307 nan 8.150 nan 0.000 0.444 310 R N -1.733 118.841 120.500 0.123 0.000 2.062 310 R HA -0.059 4.281 4.340 0.001 0.000 0.229 310 R C 2.302 178.685 176.300 0.137 0.000 1.128 310 R CA 1.593 57.757 56.100 0.108 0.000 0.960 310 R CB -0.730 29.620 30.300 0.085 0.000 0.855 310 R HN 0.501 nan 8.270 nan 0.000 0.432 311 T N -0.573 114.078 114.554 0.162 0.000 3.118 311 T HA 0.042 4.393 4.350 0.001 0.000 0.260 311 T C 1.070 175.914 174.700 0.240 0.000 1.139 311 T CA 0.894 63.090 62.100 0.161 0.000 1.085 311 T CB -0.237 68.721 68.868 0.151 0.000 0.934 311 T HN 0.577 nan 8.240 nan 0.000 0.518 312 G N 1.543 110.476 108.800 0.222 0.000 2.198 312 G HA2 -0.238 3.722 3.960 0.001 0.000 0.260 312 G HA3 -0.238 3.722 3.960 0.001 0.000 0.260 312 G C 0.156 175.135 174.900 0.131 0.000 1.025 312 G CA 0.497 45.699 45.100 0.169 0.000 0.769 312 G HN 0.606 nan 8.290 nan 0.000 0.507 313 T N 0.699 115.295 114.554 0.069 0.000 2.851 313 T HA 0.537 4.887 4.350 0.001 0.000 0.298 313 T C 1.102 175.742 174.700 -0.100 0.000 0.977 313 T CA 0.482 62.513 62.100 -0.115 0.000 1.126 313 T CB 1.570 70.118 68.868 -0.534 0.000 0.916 313 T HN 0.927 nan 8.240 nan 0.000 0.529 314 G N 0.882 109.684 108.800 0.002 0.000 2.477 314 G HA2 0.566 4.527 3.960 0.001 0.000 0.304 314 G HA3 0.566 4.527 3.960 0.001 0.000 0.304 314 G C -1.029 173.992 174.900 0.202 0.000 1.175 314 G CA -0.473 44.687 45.100 0.098 0.000 0.907 314 G HN 0.697 nan 8.290 nan 0.000 0.509 315 V N -0.063 119.984 119.914 0.222 0.000 2.709 315 V HA 0.754 4.874 4.120 0.001 0.000 0.308 315 V C -0.223 176.026 176.094 0.259 0.000 1.062 315 V CA -0.640 61.834 62.300 0.290 0.000 0.901 315 V CB 1.669 33.655 31.823 0.272 0.000 1.003 315 V HN 1.271 nan 8.190 nan 0.000 0.425 316 A N 5.327 128.336 122.820 0.315 0.000 2.341 316 A HA 0.451 4.771 4.320 0.001 0.000 0.326 316 A C -0.100 177.606 177.584 0.204 0.000 1.402 316 A CA -0.399 51.782 52.037 0.240 0.000 0.957 316 A CB -0.323 18.878 19.000 0.335 0.000 1.151 316 A HN 1.101 nan 8.150 nan 0.000 0.533 317 H N 1.784 120.912 119.070 0.097 0.000 2.767 317 H HA 0.253 4.810 4.556 0.001 0.000 0.316 317 H C -0.857 174.537 175.328 0.111 0.000 1.059 317 H CA -0.181 55.932 56.048 0.109 0.000 1.461 317 H CB 0.568 30.386 29.762 0.092 0.000 1.475 317 H HN 0.593 nan 8.280 nan 0.000 0.531 318 C N 9.480 128.801 119.300 0.035 0.000 3.003 318 C HA 0.166 4.627 4.460 0.001 0.000 0.241 318 C C -1.026 173.907 174.990 -0.096 0.000 1.224 318 C CA -1.213 57.793 59.018 -0.021 0.000 1.560 318 C CB 0.352 28.224 27.740 0.221 0.000 1.768 318 C HN 0.782 nan 8.230 nan 0.000 0.440 319 P HA -0.161 nan 4.420 nan 0.000 0.214 319 P C 1.438 178.702 177.300 -0.059 0.000 1.169 319 P CA 1.891 64.876 63.100 -0.192 0.000 0.908 319 P CB 0.147 31.702 31.700 -0.242 0.000 0.791 320 C N -0.303 118.960 119.300 -0.063 0.000 2.413 320 C HA -0.093 4.367 4.460 0.001 0.000 0.276 320 C C 3.343 178.317 174.990 -0.027 0.000 1.248 320 C CA 1.720 60.717 59.018 -0.036 0.000 1.742 320 C CB -1.990 25.731 27.740 -0.031 0.000 2.017 320 C HN 0.379 nan 8.230 nan 0.000 0.481 321 S N 1.128 116.825 115.700 -0.005 0.000 2.368 321 S HA -0.154 4.317 4.470 0.001 0.000 0.225 321 S C 1.709 176.267 174.600 -0.071 0.000 1.030 321 S CA 1.708 59.903 58.200 -0.009 0.000 0.999 321 S CB -0.429 62.837 63.200 0.109 0.000 0.844 321 S HN 0.624 nan 8.310 nan 0.000 0.459 322 N N 0.893 119.574 118.700 -0.031 0.000 2.289 322 N HA -0.001 4.740 4.740 0.001 0.000 0.184 322 N C 1.652 177.123 175.510 -0.065 0.000 1.016 322 N CA 1.252 54.268 53.050 -0.057 0.000 0.872 322 N CB -0.366 38.147 38.487 0.043 0.000 0.973 322 N HN 0.523 nan 8.380 nan 0.000 0.433 323 M N -0.177 119.395 119.600 -0.048 0.000 2.191 323 M HA 0.043 4.524 4.480 0.001 0.000 0.262 323 M C 2.193 178.452 176.300 -0.069 0.000 1.083 323 M CA 0.760 56.030 55.300 -0.049 0.000 1.154 323 M CB -0.105 32.475 32.600 -0.033 0.000 1.344 323 M HN -0.036 nan 8.290 nan 0.000 0.431 324 R N 0.681 121.137 120.500 -0.073 0.000 2.127 324 R HA -0.143 4.197 4.340 0.001 0.000 0.238 324 R C 1.386 177.604 176.300 -0.136 0.000 1.134 324 R CA 1.352 57.403 56.100 -0.082 0.000 0.975 324 R CB -0.044 30.218 30.300 -0.064 0.000 0.865 324 R HN 0.264 nan 8.270 nan 0.000 0.447 325 L N -0.025 121.082 121.223 -0.193 0.000 2.616 325 L HA 0.309 4.649 4.340 0.001 0.000 0.229 325 L C 0.509 177.258 176.870 -0.202 0.000 1.110 325 L CA 0.923 55.599 54.840 -0.274 0.000 0.884 325 L CB 0.184 41.993 42.059 -0.417 0.000 1.115 325 L HN 0.272 nan 8.230 nan 0.000 0.481 326 A N -0.994 121.740 122.820 -0.144 0.000 2.800 326 A HA -0.219 4.101 4.320 0.001 0.000 0.292 326 A C 1.701 179.215 177.584 -0.117 0.000 1.474 326 A CA 0.821 52.793 52.037 -0.109 0.000 0.744 326 A CB -2.150 16.793 19.000 -0.094 0.000 1.044 326 A HN 0.289 nan 8.150 nan 0.000 0.489 327 S N -1.015 114.609 115.700 -0.127 0.000 2.478 327 S HA 0.470 4.941 4.470 0.001 0.000 0.222 327 S C 1.346 175.908 174.600 -0.063 0.000 1.008 327 S CA 1.342 59.469 58.200 -0.122 0.000 0.928 327 S CB 0.293 63.388 63.200 -0.175 0.000 0.781 327 S HN 2.587 nan 8.310 nan 0.000 0.518 328 G N 0.826 109.602 108.800 -0.040 0.000 2.353 328 G HA2 0.008 3.969 3.960 0.001 0.000 0.615 328 G HA3 0.008 3.969 3.960 0.001 0.000 0.615 328 G C -1.421 173.494 174.900 0.025 0.000 1.280 328 G CA -1.067 44.026 45.100 -0.011 0.000 1.000 328 G HN 0.180 nan 8.290 nan 0.000 0.516 329 I N 1.751 122.341 120.570 0.033 0.000 2.328 329 I HA 0.545 4.715 4.170 0.001 0.000 0.287 329 I C 1.034 177.229 176.117 0.130 0.000 1.012 329 I CA -0.544 60.797 61.300 0.069 0.000 1.195 329 I CB 1.307 39.290 38.000 -0.029 0.000 1.350 329 I HN 0.923 nan 8.210 nan 0.000 0.464 330 A N 9.297 132.193 122.820 0.126 0.000 2.498 330 A HA 0.292 4.613 4.320 0.001 0.000 0.239 330 A C -1.860 175.770 177.584 0.076 0.000 1.068 330 A CA -0.949 51.127 52.037 0.065 0.000 0.766 330 A CB -0.333 18.652 19.000 -0.025 0.000 1.003 330 A HN 0.564 nan 8.150 nan 0.000 0.497 331 P HA 0.082 nan 4.420 nan 0.000 0.237 331 P C 0.952 178.170 177.300 -0.136 0.000 1.723 331 P CA -0.061 62.997 63.100 -0.071 0.000 0.882 331 P CB -0.123 31.516 31.700 -0.103 0.000 1.810 332 V N 0.205 120.039 119.914 -0.133 0.000 2.317 332 V HA -0.276 3.844 4.120 0.001 0.000 0.251 332 V C 2.726 178.757 176.094 -0.105 0.000 1.065 332 V CA 1.846 64.056 62.300 -0.150 0.000 1.049 332 V CB -0.902 30.784 31.823 -0.229 0.000 0.651 332 V HN 0.274 nan 8.190 nan 0.000 0.450 333 K N 0.763 121.089 120.400 -0.125 0.000 1.987 333 K HA -0.247 4.074 4.320 0.001 0.000 0.216 333 K C 2.259 178.765 176.600 -0.158 0.000 1.051 333 K CA 2.262 58.469 56.287 -0.134 0.000 0.942 333 K CB -0.578 31.802 32.500 -0.200 0.000 0.722 333 K HN 0.468 nan 8.250 nan 0.000 0.444 334 K N 0.187 120.438 120.400 -0.247 0.000 2.044 334 K HA -0.173 4.147 4.320 0.001 0.000 0.210 334 K C 2.356 178.892 176.600 -0.106 0.000 1.049 334 K CA 2.032 58.206 56.287 -0.189 0.000 0.927 334 K CB -0.124 32.236 32.500 -0.233 0.000 0.713 334 K HN 0.138 nan 8.250 nan 0.000 0.443 335 M N -0.153 119.395 119.600 -0.087 0.000 2.065 335 M HA -0.218 4.263 4.480 0.001 0.000 0.259 335 M C 2.438 178.729 176.300 -0.015 0.000 1.071 335 M CA 1.844 57.126 55.300 -0.030 0.000 1.109 335 M CB -0.367 32.230 32.600 -0.004 0.000 1.313 335 M HN 0.082 nan 8.290 nan 0.000 0.408 336 R N 0.526 121.010 120.500 -0.025 0.000 2.103 336 R HA -0.163 4.178 4.340 0.001 0.000 0.242 336 R C 1.897 178.187 176.300 -0.017 0.000 1.142 336 R CA 1.516 57.608 56.100 -0.014 0.000 0.960 336 R CB -0.679 29.610 30.300 -0.017 0.000 0.858 336 R HN 0.198 nan 8.270 nan 0.000 0.439 337 L N -0.243 120.960 121.223 -0.032 0.000 2.083 337 L HA -0.003 4.338 4.340 0.001 0.000 0.209 337 L C 2.010 178.868 176.870 -0.020 0.000 1.083 337 L CA 2.092 56.914 54.840 -0.030 0.000 0.752 337 L CB -0.840 41.190 42.059 -0.049 0.000 0.899 337 L HN 0.308 nan 8.230 nan 0.000 0.433 338 A N -1.791 121.018 122.820 -0.018 0.000 2.119 338 A HA 0.345 4.666 4.320 0.001 0.000 0.216 338 A C 1.794 179.385 177.584 0.012 0.000 1.152 338 A CA 0.972 53.007 52.037 -0.004 0.000 0.708 338 A CB -0.496 18.501 19.000 -0.004 0.000 0.805 338 A HN 0.634 nan 8.150 nan 0.000 0.460 339 G N -1.621 107.186 108.800 0.012 0.000 2.179 339 G HA2 -0.097 3.864 3.960 0.001 0.000 0.220 339 G HA3 -0.097 3.864 3.960 0.001 0.000 0.220 339 G C 0.441 175.358 174.900 0.029 0.000 0.990 339 G CA 0.308 45.418 45.100 0.015 0.000 0.646 339 G HN 1.651 nan 8.290 nan 0.000 0.517 340 V N 1.170 121.116 119.914 0.053 0.000 2.521 340 V HA 0.602 4.723 4.120 0.001 0.000 0.286 340 V C -1.790 174.336 176.094 0.054 0.000 1.034 340 V CA -1.462 60.891 62.300 0.089 0.000 1.045 340 V CB 0.840 32.761 31.823 0.163 0.000 0.974 340 V HN 0.082 nan 8.190 nan 0.000 0.480 341 P HA 0.190 nan 4.420 nan 0.000 0.266 341 P C -0.891 176.421 177.300 0.019 0.000 1.215 341 P CA 0.254 63.351 63.100 -0.005 0.000 0.763 341 P CB 0.652 32.326 31.700 -0.043 0.000 0.806 342 V N 4.350 124.270 119.914 0.011 0.000 2.417 342 V HA 0.711 4.831 4.120 0.001 0.000 0.291 342 V C 0.789 176.888 176.094 0.009 0.000 1.024 342 V CA -0.251 62.069 62.300 0.034 0.000 0.861 342 V CB 1.693 33.541 31.823 0.043 0.000 0.985 342 V HN 0.687 nan 8.190 nan 0.000 0.436 343 G N 3.075 111.882 108.800 0.012 0.000 2.644 343 G HA2 0.731 4.692 3.960 0.001 0.000 0.307 343 G HA3 0.731 4.692 3.960 0.001 0.000 0.307 343 G C -1.738 173.186 174.900 0.041 0.000 1.250 343 G CA -0.679 44.401 45.100 -0.033 0.000 0.996 343 G HN 0.521 nan 8.290 nan 0.000 0.489 344 L N -0.195 121.034 121.223 0.009 0.000 2.342 344 L HA 0.876 5.217 4.340 0.001 0.000 0.271 344 L C 0.268 177.148 176.870 0.017 0.000 1.008 344 L CA -0.322 54.533 54.840 0.024 0.000 0.818 344 L CB 2.064 44.127 42.059 0.006 0.000 1.296 344 L HN 0.816 nan 8.230 nan 0.000 0.427 345 G N 2.143 110.956 108.800 0.021 0.000 2.682 345 G HA2 0.454 4.414 3.960 0.001 0.000 0.300 345 G HA3 0.454 4.414 3.960 0.001 0.000 0.300 345 G C -0.475 174.424 174.900 -0.002 0.000 1.391 345 G CA -0.127 45.002 45.100 0.049 0.000 0.990 345 G HN 0.544 nan 8.290 nan 0.000 0.501 346 V N 0.971 120.852 119.914 -0.056 0.000 3.052 346 V HA 0.175 4.295 4.120 0.001 0.000 0.254 346 V C 0.958 176.966 176.094 -0.143 0.000 1.100 346 V CA 1.957 64.189 62.300 -0.114 0.000 1.112 346 V CB -0.981 30.750 31.823 -0.153 0.000 0.738 346 V HN 1.024 nan 8.190 nan 0.000 0.469 347 D N -1.113 119.177 120.400 -0.183 0.000 10.579 347 D HA -0.087 4.554 4.640 0.001 0.000 0.361 347 D C 0.299 176.448 176.300 -0.252 0.000 3.052 347 D CA 1.129 55.066 54.000 -0.105 0.000 2.480 347 D CB -0.837 40.091 40.800 0.214 0.000 1.162 347 D HN 0.655 nan 8.370 nan 0.000 0.997 348 G N 0.067 108.890 108.800 0.039 0.000 2.391 348 G HA2 0.288 4.248 3.960 0.001 0.000 0.234 348 G HA3 0.288 4.248 3.960 0.001 0.000 0.234 348 G C 0.942 175.923 174.900 0.135 0.000 1.284 348 G CA 0.424 45.634 45.100 0.184 0.000 0.873 348 G HN 0.421 nan 8.290 nan 0.000 0.549 349 S N 1.362 117.142 115.700 0.134 0.000 2.660 349 S HA 0.081 4.552 4.470 0.001 0.000 0.228 349 S C 2.115 176.833 174.600 0.196 0.000 0.966 349 S CA 0.508 58.790 58.200 0.137 0.000 0.940 349 S CB 0.258 63.544 63.200 0.144 0.000 0.773 349 S HN 0.844 nan 8.310 nan 0.000 0.535 350 A N 1.318 124.318 122.820 0.301 0.000 2.220 350 A HA 0.224 4.544 4.320 0.001 0.000 0.211 350 A C 1.351 179.276 177.584 0.568 0.000 1.176 350 A CA 0.356 52.652 52.037 0.431 0.000 0.834 350 A CB 0.115 19.434 19.000 0.532 0.000 0.868 350 A HN 0.437 nan 8.150 nan 0.000 0.488 351 S N -1.320 114.629 115.700 0.416 0.000 2.327 351 S HA 0.455 4.926 4.470 0.001 0.000 0.203 351 S C -0.283 174.361 174.600 0.074 0.000 1.326 351 S CA -0.044 58.254 58.200 0.164 0.000 1.248 351 S CB -0.368 62.790 63.200 -0.070 0.000 1.199 351 S HN 0.539 nan 8.310 nan 0.000 0.422 352 N N 0.810 119.558 118.700 0.079 0.000 2.676 352 N HA 0.112 4.853 4.740 0.001 0.000 0.301 352 N C -0.545 174.984 175.510 0.032 0.000 0.746 352 N CA -0.058 53.013 53.050 0.035 0.000 1.211 352 N CB 0.411 38.910 38.487 0.021 0.000 1.549 352 N HN 0.184 nan 8.380 nan 0.000 1.309 353 D N 0.492 120.922 120.400 0.051 0.000 2.501 353 D HA 0.280 4.920 4.640 0.001 0.000 0.226 353 D C 0.106 176.439 176.300 0.055 0.000 1.198 353 D CA 0.043 54.089 54.000 0.077 0.000 0.830 353 D CB 0.699 41.562 40.800 0.105 0.000 1.014 353 D HN 0.333 nan 8.370 nan 0.000 0.496 354 G N -0.247 108.571 108.800 0.030 0.000 2.511 354 G HA2 0.547 4.508 3.960 0.001 0.000 0.316 354 G HA3 0.547 4.508 3.960 0.001 0.000 0.316 354 G C -0.144 174.763 174.900 0.012 0.000 1.210 354 G CA -0.586 44.528 45.100 0.023 0.000 0.969 354 G HN 0.064 nan 8.290 nan 0.000 0.492 355 A N -0.173 122.659 122.820 0.021 0.000 2.843 355 A HA 0.403 4.723 4.320 0.001 0.000 0.248 355 A C 0.222 177.825 177.584 0.032 0.000 0.904 355 A CA -0.244 51.808 52.037 0.025 0.000 1.091 355 A CB 0.416 19.469 19.000 0.089 0.000 1.208 355 A HN 0.399 nan 8.150 nan 0.000 0.476 356 Q N 0.814 120.626 119.800 0.020 0.000 2.423 356 Q HA 0.252 4.593 4.340 0.001 0.000 0.235 356 Q C 0.861 176.879 176.000 0.029 0.000 1.100 356 Q CA -0.337 55.483 55.803 0.029 0.000 0.908 356 Q CB 0.851 29.601 28.738 0.021 0.000 1.312 356 Q HN 0.622 nan 8.270 nan 0.000 0.497 357 M N 3.548 123.176 119.600 0.046 0.000 2.088 357 M HA -0.213 4.267 4.480 0.001 0.000 0.256 357 M C 1.722 178.042 176.300 0.034 0.000 1.071 357 M CA 1.872 57.198 55.300 0.043 0.000 1.097 357 M CB -0.829 31.811 32.600 0.067 0.000 1.315 357 M HN 0.496 nan 8.290 nan 0.000 0.406 358 V N 0.071 120.018 119.914 0.054 0.000 2.490 358 V HA -0.188 3.933 4.120 0.001 0.000 0.250 358 V C 2.132 178.211 176.094 -0.025 0.000 1.061 358 V CA 2.072 64.377 62.300 0.008 0.000 1.064 358 V CB -1.065 30.750 31.823 -0.014 0.000 0.670 358 V HN 0.532 nan 8.190 nan 0.000 0.461 359 A N -0.292 122.520 122.820 -0.014 0.000 1.898 359 A HA -0.207 4.113 4.320 0.001 0.000 0.216 359 A C 2.098 179.660 177.584 -0.038 0.000 1.181 359 A CA 1.886 53.906 52.037 -0.029 0.000 0.620 359 A CB -0.656 18.334 19.000 -0.018 0.000 0.819 359 A HN 0.645 nan 8.150 nan 0.000 0.442 360 E N -0.144 120.037 120.200 -0.031 0.000 2.110 360 E HA -0.106 4.245 4.350 0.001 0.000 0.193 360 E C 1.838 178.406 176.600 -0.053 0.000 0.988 360 E CA 1.351 57.722 56.400 -0.047 0.000 0.804 360 E CB -0.308 29.367 29.700 -0.042 0.000 0.745 360 E HN 0.288 nan 8.360 nan 0.000 0.458 361 V N 0.579 120.469 119.914 -0.041 0.000 2.427 361 V HA -0.212 3.908 4.120 0.001 0.000 0.248 361 V C 2.520 178.573 176.094 -0.067 0.000 1.051 361 V CA 2.096 64.370 62.300 -0.043 0.000 1.048 361 V CB -0.548 31.252 31.823 -0.038 0.000 0.666 361 V HN 0.264 nan 8.190 nan 0.000 0.456 362 R N 0.043 120.494 120.500 -0.082 0.000 2.075 362 R HA -0.210 4.130 4.340 0.001 0.000 0.232 362 R C 2.382 178.631 176.300 -0.085 0.000 1.126 362 R CA 1.714 57.746 56.100 -0.112 0.000 0.963 362 R CB -0.284 29.953 30.300 -0.105 0.000 0.858 362 R HN 0.416 nan 8.270 nan 0.000 0.435 363 Q N 0.485 120.248 119.800 -0.061 0.000 2.181 363 Q HA -0.083 4.257 4.340 0.001 0.000 0.205 363 Q C 1.765 177.750 176.000 -0.024 0.000 0.980 363 Q CA 2.039 57.814 55.803 -0.046 0.000 0.862 363 Q CB -0.275 28.433 28.738 -0.050 0.000 0.905 363 Q HN 0.487 nan 8.270 nan 0.000 0.429 364 A N 0.089 122.897 122.820 -0.020 0.000 1.877 364 A HA -0.153 4.167 4.320 0.001 0.000 0.216 364 A C 2.087 179.712 177.584 0.069 0.000 1.186 364 A CA 1.421 53.498 52.037 0.067 0.000 0.620 364 A CB -0.933 18.116 19.000 0.081 0.000 0.822 364 A HN 0.498 nan 8.150 nan 0.000 0.443 365 L N -1.035 120.183 121.223 -0.009 0.000 2.017 365 L HA -0.169 4.171 4.340 0.001 0.000 0.208 365 L C 2.314 179.170 176.870 -0.023 0.000 1.073 365 L CA 1.390 56.205 54.840 -0.040 0.000 0.745 365 L CB -0.258 41.703 42.059 -0.162 0.000 0.894 365 L HN 0.290 nan 8.230 nan 0.000 0.432 366 L N -0.504 120.695 121.223 -0.040 0.000 2.017 366 L HA -0.248 4.092 4.340 0.001 0.000 0.208 366 L C 2.337 179.207 176.870 -0.001 0.000 1.073 366 L CA 1.647 56.474 54.840 -0.022 0.000 0.745 366 L CB -1.291 40.751 42.059 -0.030 0.000 0.894 366 L HN 0.338 nan 8.230 nan 0.000 0.432 367 L N -0.891 120.341 121.223 0.016 0.000 2.046 367 L HA -0.206 4.134 4.340 0.001 0.000 0.208 367 L C 2.468 179.355 176.870 0.027 0.000 1.077 367 L CA 1.693 56.547 54.840 0.024 0.000 0.747 367 L CB -0.683 41.416 42.059 0.066 0.000 0.896 367 L HN 0.405 nan 8.230 nan 0.000 0.432 368 Q N -0.007 119.847 119.800 0.090 0.000 2.170 368 Q HA -0.182 4.158 4.340 0.001 0.000 0.203 368 Q C 2.245 178.310 176.000 0.109 0.000 0.976 368 Q CA 1.366 57.261 55.803 0.154 0.000 0.858 368 Q CB -0.148 28.700 28.738 0.184 0.000 0.907 368 Q HN 0.581 nan 8.270 nan 0.000 0.433 369 R N -0.498 120.036 120.500 0.057 0.000 2.062 369 R HA -0.026 4.315 4.340 0.001 0.000 0.229 369 R C 2.284 178.572 176.300 -0.019 0.000 1.128 369 R CA 0.971 57.097 56.100 0.043 0.000 0.960 369 R CB -0.522 29.805 30.300 0.045 0.000 0.855 369 R HN 0.048 nan 8.270 nan 0.000 0.432 370 V N 0.760 120.645 119.914 -0.049 0.000 2.867 370 V HA -0.093 4.027 4.120 0.001 0.000 0.260 370 V C 1.713 177.701 176.094 -0.177 0.000 1.099 370 V CA 2.058 64.310 62.300 -0.081 0.000 1.122 370 V CB -0.056 31.727 31.823 -0.066 0.000 0.708 370 V HN 0.535 nan 8.190 nan 0.000 0.490 371 G N -1.625 106.993 108.800 -0.304 0.000 2.608 371 G HA2 -0.003 3.958 3.960 0.001 0.000 0.210 371 G HA3 -0.003 3.958 3.960 0.001 0.000 0.210 371 G C 0.857 175.182 174.900 -0.957 0.000 1.139 371 G CA 0.486 45.161 45.100 -0.707 0.000 0.812 371 G HN 0.552 nan 8.290 nan 0.000 0.529 372 F N 0.184 120.139 119.950 0.008 0.000 2.856 372 F HA 0.512 5.040 4.527 0.001 0.000 0.338 372 F C 0.896 176.703 175.800 0.010 0.000 1.100 372 F CA -0.431 57.572 58.000 0.007 0.000 1.150 372 F CB 1.176 40.177 39.000 0.003 0.000 1.101 372 F HN 0.323 nan 8.300 nan 0.000 0.548 373 G N 1.110 109.978 108.800 0.113 0.000 2.402 373 G HA2 0.029 3.990 3.960 0.001 0.000 0.666 373 G HA3 0.029 3.990 3.960 0.001 0.000 0.666 373 G C -2.329 172.619 174.900 0.080 0.000 1.402 373 G CA -0.785 44.368 45.100 0.089 0.000 0.920 373 G HN -0.207 nan 8.290 nan 0.000 0.651 374 P HA -0.041 nan 4.420 nan 0.000 0.227 374 P C 0.466 177.817 177.300 0.086 0.000 1.145 374 P CA 1.996 65.138 63.100 0.070 0.000 0.769 374 P CB 0.111 31.845 31.700 0.056 0.000 0.769 375 D N -2.406 118.044 120.400 0.083 0.000 2.620 375 D HA 0.201 4.841 4.640 0.001 0.000 0.260 375 D C 1.294 177.643 176.300 0.082 0.000 1.367 375 D CA -0.346 53.704 54.000 0.083 0.000 0.805 375 D CB -0.595 40.245 40.800 0.067 0.000 1.096 375 D HN -0.037 nan 8.370 nan 0.000 0.488 376 A N 0.480 123.360 122.820 0.101 0.000 2.070 376 A HA 0.102 4.422 4.320 0.001 0.000 0.220 376 A C 1.096 178.731 177.584 0.085 0.000 1.159 376 A CA 0.822 52.929 52.037 0.116 0.000 0.656 376 A CB -0.221 18.905 19.000 0.210 0.000 0.800 376 A HN 0.445 nan 8.150 nan 0.000 0.453 377 M N -0.191 119.454 119.600 0.075 0.000 2.325 377 M HA 0.297 4.778 4.480 0.001 0.000 0.285 377 M C -0.723 175.606 176.300 0.049 0.000 1.119 377 M CA -0.355 54.977 55.300 0.053 0.000 0.959 377 M CB 1.949 34.578 32.600 0.048 0.000 1.737 377 M HN 0.269 nan 8.290 nan 0.000 0.486 378 T N 0.965 115.549 114.554 0.050 0.000 2.881 378 T HA 0.691 5.041 4.350 0.001 0.000 0.278 378 T C 1.021 175.737 174.700 0.027 0.000 0.982 378 T CA -0.088 62.058 62.100 0.077 0.000 0.989 378 T CB 1.525 70.447 68.868 0.089 0.000 1.058 378 T HN 0.751 nan 8.240 nan 0.000 0.529 379 A N 0.764 123.619 122.820 0.059 0.000 1.902 379 A HA -0.057 4.264 4.320 0.001 0.000 0.217 379 A C 2.524 180.118 177.584 0.018 0.000 1.181 379 A CA 1.465 53.492 52.037 -0.017 0.000 0.623 379 A CB -0.841 18.235 19.000 0.127 0.000 0.818 379 A HN 0.893 nan 8.150 nan 0.000 0.443 380 R N -0.446 120.087 120.500 0.056 0.000 2.115 380 R HA -0.098 4.242 4.340 0.001 0.000 0.230 380 R C 2.067 178.384 176.300 0.028 0.000 1.111 380 R CA 1.547 57.672 56.100 0.043 0.000 0.976 380 R CB -0.167 30.163 30.300 0.051 0.000 0.870 380 R HN 0.718 nan 8.270 nan 0.000 0.445 381 E N -0.325 119.891 120.200 0.026 0.000 2.072 381 E HA -0.114 4.236 4.350 0.001 0.000 0.190 381 E C 1.956 178.565 176.600 0.016 0.000 0.982 381 E CA 0.960 57.372 56.400 0.021 0.000 0.803 381 E CB -0.044 29.670 29.700 0.024 0.000 0.755 381 E HN 0.347 nan 8.360 nan 0.000 0.453 382 A N 1.080 123.903 122.820 0.005 0.000 1.933 382 A HA -0.165 4.155 4.320 0.001 0.000 0.218 382 A C 2.111 179.696 177.584 0.002 0.000 1.175 382 A CA 0.990 53.028 52.037 -0.000 0.000 0.628 382 A CB -0.384 18.593 19.000 -0.039 0.000 0.814 382 A HN 0.135 nan 8.150 nan 0.000 0.444 383 L N -0.300 120.925 121.223 0.002 0.000 2.056 383 L HA -0.086 4.254 4.340 0.001 0.000 0.207 383 L C 2.340 179.220 176.870 0.016 0.000 1.078 383 L CA 2.274 57.121 54.840 0.011 0.000 0.749 383 L CB -0.605 41.465 42.059 0.019 0.000 0.901 383 L HN 0.611 nan 8.230 nan 0.000 0.433 384 E N -0.472 119.737 120.200 0.015 0.000 2.077 384 E HA -0.224 4.126 4.350 0.001 0.000 0.193 384 E C 2.318 178.920 176.600 0.003 0.000 0.989 384 E CA 1.265 57.671 56.400 0.010 0.000 0.800 384 E CB -0.099 29.608 29.700 0.010 0.000 0.746 384 E HN 0.509 nan 8.360 nan 0.000 0.452 385 I N 0.777 121.352 120.570 0.009 0.000 2.226 385 I HA -0.262 3.908 4.170 0.001 0.000 0.245 385 I C 2.427 178.544 176.117 -0.001 0.000 1.100 385 I CA 1.099 62.405 61.300 0.010 0.000 1.374 385 I CB -0.282 37.740 38.000 0.038 0.000 1.057 385 I HN 0.172 nan 8.210 nan 0.000 0.413 386 A N 0.084 122.907 122.820 0.005 0.000 2.119 386 A HA -0.108 4.212 4.320 0.001 0.000 0.217 386 A C 2.094 179.675 177.584 -0.005 0.000 1.153 386 A CA 1.913 53.951 52.037 0.001 0.000 0.692 386 A CB -0.680 18.327 19.000 0.013 0.000 0.799 386 A HN 0.558 nan 8.150 nan 0.000 0.458 387 T N -2.800 111.752 114.554 -0.003 0.000 3.571 387 T HA 0.215 4.565 4.350 0.001 0.000 0.217 387 T C 1.736 176.420 174.700 -0.027 0.000 0.925 387 T CA 0.475 62.572 62.100 -0.004 0.000 1.376 387 T CB -0.733 68.147 68.868 0.020 0.000 1.375 387 T HN 0.081 nan 8.240 nan 0.000 0.404 388 L N 1.615 122.826 121.223 -0.021 0.000 2.042 388 L HA 0.069 4.409 4.340 0.001 0.000 0.210 388 L C 3.128 179.962 176.870 -0.061 0.000 1.076 388 L CA 1.706 56.525 54.840 -0.035 0.000 0.749 388 L CB -1.196 40.850 42.059 -0.023 0.000 0.893 388 L HN 0.627 nan 8.230 nan 0.000 0.432 389 G N -0.289 108.479 108.800 -0.054 0.000 2.442 389 G HA2 -0.193 3.767 3.960 0.001 0.000 0.219 389 G HA3 -0.193 3.767 3.960 0.001 0.000 0.219 389 G C 1.577 176.402 174.900 -0.125 0.000 1.141 389 G CA 0.790 45.848 45.100 -0.070 0.000 0.763 389 G HN 0.501 nan 8.290 nan 0.000 0.554 390 G N 0.969 109.689 108.800 -0.132 0.000 2.402 390 G HA2 0.104 4.064 3.960 0.001 0.000 0.216 390 G HA3 0.104 4.064 3.960 0.001 0.000 0.216 390 G C 2.049 176.789 174.900 -0.267 0.000 1.162 390 G CA 1.426 46.398 45.100 -0.213 0.000 0.777 390 G HN 0.607 nan 8.290 nan 0.000 0.539 391 A N 1.029 123.740 122.820 -0.182 0.000 1.865 391 A HA -0.054 4.266 4.320 0.001 0.000 0.217 391 A C 2.393 179.867 177.584 -0.182 0.000 1.191 391 A CA 2.029 53.966 52.037 -0.167 0.000 0.623 391 A CB -0.370 18.573 19.000 -0.095 0.000 0.826 391 A HN 0.218 nan 8.150 nan 0.000 0.444 392 K N -0.398 119.908 120.400 -0.157 0.000 2.009 392 K HA -0.094 4.226 4.320 0.001 0.000 0.210 392 K C 1.999 178.484 176.600 -0.191 0.000 1.049 392 K CA 1.441 57.639 56.287 -0.148 0.000 0.929 392 K CB -0.994 31.431 32.500 -0.124 0.000 0.714 392 K HN 0.328 nan 8.250 nan 0.000 0.440 393 V N 1.382 121.136 119.914 -0.267 0.000 2.568 393 V HA -0.203 3.918 4.120 0.001 0.000 0.253 393 V C 2.088 177.795 176.094 -0.644 0.000 1.072 393 V CA 1.223 63.290 62.300 -0.389 0.000 1.084 393 V CB -0.291 31.233 31.823 -0.498 0.000 0.676 393 V HN 0.133 nan 8.190 nan 0.000 0.469 394 L N -0.426 120.418 121.223 -0.633 0.000 2.509 394 L HA 0.228 4.569 4.340 0.001 0.000 0.222 394 L C 1.196 177.958 176.870 -0.181 0.000 1.123 394 L CA 0.923 55.386 54.840 -0.628 0.000 0.856 394 L CB -1.386 40.272 42.059 -0.668 0.000 0.985 394 L HN 0.631 nan 8.230 nan 0.000 0.456 395 N N 0.460 119.081 118.700 -0.132 0.000 2.814 395 N HA -0.189 4.551 4.740 0.001 0.000 0.247 395 N C -0.396 175.113 175.510 -0.002 0.000 1.089 395 N CA 0.080 53.116 53.050 -0.024 0.000 0.682 395 N CB -0.346 38.172 38.487 0.052 0.000 0.970 395 N HN 0.280 nan 8.380 nan 0.000 0.554 396 R N 0.551 121.026 120.500 -0.041 0.000 2.686 396 R HA 0.221 4.562 4.340 0.001 0.000 0.283 396 R C -0.266 176.010 176.300 -0.041 0.000 0.978 396 R CA -0.599 55.488 56.100 -0.020 0.000 0.897 396 R CB 1.107 31.402 30.300 -0.008 0.000 1.192 396 R HN 0.250 nan 8.270 nan 0.000 0.457 397 D N 0.933 121.312 120.400 -0.035 0.000 2.535 397 D HA -0.046 4.594 4.640 0.001 0.000 0.229 397 D C -0.034 176.247 176.300 -0.031 0.000 1.238 397 D CA -0.042 53.938 54.000 -0.035 0.000 0.824 397 D CB 0.428 41.209 40.800 -0.031 0.000 1.045 397 D HN 0.582 nan 8.370 nan 0.000 0.500 398 D N 0.752 121.131 120.400 -0.034 0.000 2.407 398 D HA 0.087 4.728 4.640 0.001 0.000 0.208 398 D C 1.162 177.493 176.300 0.052 0.000 1.083 398 D CA -0.199 53.788 54.000 -0.021 0.000 0.844 398 D CB 0.497 41.215 40.800 -0.137 0.000 0.967 398 D HN 0.497 nan 8.370 nan 0.000 0.506 399 I N -5.555 115.033 120.570 0.030 0.000 3.108 399 I HA 0.752 4.922 4.170 0.001 0.000 0.312 399 I C 0.921 177.047 176.117 0.016 0.000 1.095 399 I CA -0.648 60.676 61.300 0.041 0.000 1.000 399 I CB 2.309 40.326 38.000 0.028 0.000 1.229 399 I HN -0.078 nan 8.210 nan 0.000 0.454 400 G N 1.597 110.412 108.800 0.026 0.000 2.176 400 G HA2 0.145 4.106 3.960 0.001 0.000 0.232 400 G HA3 0.145 4.106 3.960 0.001 0.000 0.232 400 G C -0.036 174.882 174.900 0.030 0.000 0.986 400 G CA 0.049 45.159 45.100 0.015 0.000 0.643 400 G HN 1.672 nan 8.290 nan 0.000 0.522 401 A N -0.432 122.414 122.820 0.044 0.000 2.566 401 A HA 0.710 5.031 4.320 0.001 0.000 0.297 401 A C -1.025 176.590 177.584 0.052 0.000 1.059 401 A CA -0.613 51.450 52.037 0.042 0.000 0.691 401 A CB 1.219 20.236 19.000 0.028 0.000 1.282 401 A HN 0.761 nan 8.150 nan 0.000 0.401 402 L N 3.060 124.308 121.223 0.042 0.000 2.328 402 L HA 0.446 4.786 4.340 0.001 0.000 0.280 402 L C 0.456 177.335 176.870 0.015 0.000 1.111 402 L CA 0.594 55.451 54.840 0.027 0.000 0.909 402 L CB -0.907 41.151 42.059 -0.001 0.000 1.277 402 L HN 0.854 nan 8.230 nan 0.000 0.433 403 K N 2.291 122.707 120.400 0.027 0.000 2.555 403 K HA 0.661 4.981 4.320 0.001 0.000 0.279 403 K C -3.080 173.542 176.600 0.037 0.000 0.986 403 K CA -2.083 54.219 56.287 0.024 0.000 0.880 403 K CB 1.410 33.925 32.500 0.024 0.000 1.474 403 K HN -0.128 nan 8.250 nan 0.000 0.433 404 P HA -0.003 nan 4.420 nan 0.000 0.261 404 P C 0.464 177.804 177.300 0.066 0.000 1.183 404 P CA 1.793 64.920 63.100 0.045 0.000 0.761 404 P CB 0.377 32.100 31.700 0.038 0.000 0.785 405 G N 1.865 110.719 108.800 0.091 0.000 2.175 405 G HA2 -0.207 3.754 3.960 0.001 0.000 0.244 405 G HA3 -0.207 3.754 3.960 0.001 0.000 0.244 405 G C 0.172 175.221 174.900 0.248 0.000 0.982 405 G CA -0.380 44.816 45.100 0.159 0.000 0.641 405 G HN 0.370 nan 8.290 nan 0.000 0.527 406 M N 0.621 120.335 119.600 0.190 0.000 2.494 406 M HA 0.729 5.210 4.480 0.001 0.000 0.300 406 M C 0.926 177.396 176.300 0.283 0.000 1.189 406 M CA -0.451 54.987 55.300 0.229 0.000 0.982 406 M CB 0.924 33.598 32.600 0.123 0.000 1.534 406 M HN 0.600 nan 8.290 nan 0.000 0.488 407 A N 1.006 124.011 122.820 0.308 0.000 2.477 407 A HA 0.502 4.822 4.320 0.001 0.000 0.246 407 A C 0.451 178.095 177.584 0.100 0.000 1.078 407 A CA -0.254 51.914 52.037 0.219 0.000 0.770 407 A CB -0.154 19.002 19.000 0.259 0.000 1.011 407 A HN 0.881 nan 8.150 nan 0.000 0.494 408 A N 3.395 126.230 122.820 0.024 0.000 3.030 408 A HA 0.411 4.731 4.320 0.001 0.000 0.273 408 A C -0.650 176.992 177.584 0.097 0.000 1.841 408 A CA -0.110 51.976 52.037 0.081 0.000 1.479 408 A CB -0.770 18.242 19.000 0.021 0.000 1.048 408 A HN 0.627 nan 8.150 nan 0.000 0.612 409 D N 1.440 121.922 120.400 0.136 0.000 2.471 409 D HA 0.612 5.253 4.640 0.001 0.000 0.245 409 D C -0.489 175.913 176.300 0.170 0.000 1.116 409 D CA 0.173 54.208 54.000 0.058 0.000 0.853 409 D CB 1.027 41.856 40.800 0.049 0.000 1.123 409 D HN 0.413 nan 8.370 nan 0.000 0.540 410 F N 0.062 120.014 119.950 0.003 0.000 2.662 410 F HA 0.895 5.422 4.527 0.001 0.000 0.312 410 F C -1.392 174.410 175.800 0.003 0.000 1.113 410 F CA -1.432 56.575 58.000 0.012 0.000 0.951 410 F CB 1.117 40.119 39.000 0.003 0.000 1.344 410 F HN 0.261 nan 8.300 nan 0.000 0.462 411 A N 1.026 123.990 122.820 0.240 0.000 2.380 411 A HA 0.982 5.302 4.320 0.001 0.000 0.315 411 A C -1.342 176.297 177.584 0.091 0.000 1.101 411 A CA -0.483 51.579 52.037 0.041 0.000 0.771 411 A CB 1.282 20.303 19.000 0.035 0.000 1.287 411 A HN 1.853 nan 8.150 nan 0.000 0.436 412 A N 0.874 123.600 122.820 -0.156 0.000 2.374 412 A HA 0.798 5.118 4.320 0.001 0.000 0.305 412 A C -1.369 176.061 177.584 -0.258 0.000 1.053 412 A CA -0.353 51.683 52.037 -0.002 0.000 0.726 412 A CB 0.593 19.717 19.000 0.206 0.000 1.229 412 A HN 0.703 nan 8.150 nan 0.000 0.431 413 F N 0.989 121.090 119.950 0.253 0.000 2.495 413 F HA 0.382 4.909 4.527 0.000 0.000 0.327 413 F C 0.222 176.061 175.800 0.065 0.000 1.103 413 F CA -0.613 57.507 58.000 0.199 0.000 0.949 413 F CB 1.918 41.023 39.000 0.175 0.000 1.142 413 F HN 0.541 nan 8.300 nan 0.000 0.457 414 D N 3.406 123.901 120.400 0.159 0.000 2.352 414 D HA 0.165 4.806 4.640 0.001 0.000 0.245 414 D C 0.764 177.013 176.300 -0.085 0.000 1.224 414 D CA 0.174 54.040 54.000 -0.224 0.000 0.879 414 D CB 0.844 41.573 40.800 -0.120 0.000 1.057 414 D HN 0.562 nan 8.370 nan 0.000 0.491 415 L N 3.440 124.498 121.223 -0.275 0.000 2.622 415 L HA 0.031 4.372 4.340 0.001 0.000 0.233 415 L C 1.962 178.802 176.870 -0.051 0.000 1.156 415 L CA 0.380 55.031 54.840 -0.315 0.000 0.866 415 L CB -0.043 41.811 42.059 -0.342 0.000 0.980 415 L HN 0.184 nan 8.230 nan 0.000 0.448 416 R N -0.669 119.816 120.500 -0.024 0.000 2.317 416 R HA 0.075 4.415 4.340 0.001 0.000 0.208 416 R C 0.385 176.734 176.300 0.082 0.000 0.914 416 R CA -0.083 56.028 56.100 0.019 0.000 1.060 416 R CB 0.109 30.399 30.300 -0.016 0.000 1.015 416 R HN 0.438 nan 8.270 nan 0.000 0.498 417 Q N 0.565 120.465 119.800 0.165 0.000 2.421 417 Q HA 0.039 4.379 4.340 0.001 0.000 0.255 417 Q C -1.774 174.295 176.000 0.115 0.000 1.013 417 Q CA -1.548 54.341 55.803 0.144 0.000 0.895 417 Q CB 0.544 29.387 28.738 0.175 0.000 1.271 417 Q HN -0.131 nan 8.270 nan 0.000 0.460 418 P HA -0.204 nan 4.420 nan 0.000 0.218 418 P C 1.028 178.328 177.300 0.001 0.000 1.148 418 P CA 1.174 64.290 63.100 0.027 0.000 0.822 418 P CB 0.032 31.738 31.700 0.010 0.000 0.784 419 L N -5.095 116.093 121.223 -0.059 0.000 2.201 419 L HA -0.000 4.340 4.340 0.001 0.000 0.212 419 L C 1.878 178.622 176.870 -0.210 0.000 1.105 419 L CA 1.873 56.607 54.840 -0.176 0.000 0.775 419 L CB -1.760 40.111 42.059 -0.312 0.000 0.913 419 L HN -0.149 nan 8.230 nan 0.000 0.440 420 F N 0.878 120.832 119.950 0.007 0.000 2.776 420 F HA 0.459 4.986 4.527 0.001 0.000 0.300 420 F C 1.752 177.544 175.800 -0.013 0.000 1.116 420 F CA -0.186 57.814 58.000 0.001 0.000 1.375 420 F CB -0.098 38.900 39.000 -0.002 0.000 1.109 420 F HN 0.090 nan 8.300 nan 0.000 0.585 421 A N 0.548 123.450 122.820 0.136 0.000 2.545 421 A HA 0.368 4.688 4.320 0.001 0.000 0.253 421 A C 1.468 179.082 177.584 0.051 0.000 1.074 421 A CA 0.866 52.946 52.037 0.071 0.000 0.760 421 A CB -0.833 18.194 19.000 0.045 0.000 1.005 421 A HN 0.849 nan 8.150 nan 0.000 0.506 422 G N 0.985 109.791 108.800 0.011 0.000 2.176 422 G HA2 0.042 4.003 3.960 0.001 0.000 0.253 422 G HA3 0.042 4.003 3.960 0.001 0.000 0.253 422 G C 0.764 175.670 174.900 0.010 0.000 0.979 422 G CA 0.705 45.810 45.100 0.009 0.000 0.641 422 G HN 2.133 nan 8.290 nan 0.000 0.530 423 A N -0.161 122.670 122.820 0.017 0.000 2.503 423 A HA 0.692 5.012 4.320 0.001 0.000 0.263 423 A C 1.700 179.275 177.584 -0.015 0.000 1.258 423 A CA 0.452 52.538 52.037 0.081 0.000 0.936 423 A CB -0.059 19.049 19.000 0.180 0.000 1.070 423 A HN 0.574 nan 8.150 nan 0.000 0.522 424 L N -0.331 120.773 121.223 -0.199 0.000 2.650 424 L HA -0.023 4.317 4.340 0.001 0.000 0.235 424 L C 1.495 178.251 176.870 -0.190 0.000 1.149 424 L CA 0.369 55.101 54.840 -0.181 0.000 0.887 424 L CB -0.742 41.214 42.059 -0.172 0.000 1.021 424 L HN 0.551 nan 8.230 nan 0.000 0.441 425 H N -1.156 117.917 119.070 0.004 0.000 2.462 425 H HA -0.028 4.529 4.556 0.001 0.000 0.292 425 H C 0.470 175.795 175.328 -0.005 0.000 1.049 425 H CA 0.798 56.843 56.048 -0.006 0.000 1.334 425 H CB 0.191 29.942 29.762 -0.018 0.000 1.404 425 H HN 0.129 nan 8.280 nan 0.000 0.544 426 D N -1.622 118.837 120.400 0.099 0.000 2.752 426 D HA 0.100 4.741 4.640 0.001 0.000 0.242 426 D C -2.214 174.121 176.300 0.058 0.000 1.295 426 D CA -1.778 52.264 54.000 0.069 0.000 0.846 426 D CB 0.575 41.420 40.800 0.074 0.000 1.454 426 D HN -0.109 nan 8.370 nan 0.000 0.535 427 P HA -0.187 nan 4.420 nan 0.000 0.216 427 P C 1.671 178.966 177.300 -0.009 0.000 1.154 427 P CA 0.795 63.866 63.100 -0.048 0.000 0.865 427 P CB 0.487 32.126 31.700 -0.103 0.000 0.789 428 V N 0.030 119.958 119.914 0.023 0.000 2.287 428 V HA -0.285 3.835 4.120 0.001 0.000 0.248 428 V C 2.464 178.613 176.094 0.090 0.000 1.053 428 V CA 2.400 64.726 62.300 0.044 0.000 1.027 428 V CB -1.790 30.062 31.823 0.049 0.000 0.646 428 V HN 0.132 nan 8.190 nan 0.000 0.447 429 A N -0.151 122.756 122.820 0.144 0.000 1.930 429 A HA -0.007 4.313 4.320 0.001 0.000 0.217 429 A C 2.416 180.219 177.584 0.366 0.000 1.175 429 A CA 1.746 53.948 52.037 0.274 0.000 0.627 429 A CB -0.747 18.432 19.000 0.299 0.000 0.815 429 A HN 0.577 nan 8.150 nan 0.000 0.443 430 A N -0.281 122.708 122.820 0.282 0.000 1.978 430 A HA -0.109 4.211 4.320 0.001 0.000 0.220 430 A C 2.060 179.865 177.584 0.367 0.000 1.170 430 A CA 1.726 53.972 52.037 0.349 0.000 0.636 430 A CB -0.611 18.610 19.000 0.369 0.000 0.810 430 A HN 0.726 nan 8.150 nan 0.000 0.448 431 L N -0.311 121.077 121.223 0.275 0.000 2.127 431 L HA -0.132 4.209 4.340 0.001 0.000 0.211 431 L C 2.141 179.010 176.870 -0.001 0.000 1.089 431 L CA 1.985 56.907 54.840 0.137 0.000 0.757 431 L CB -0.184 41.821 42.059 -0.091 0.000 0.899 431 L HN 0.177 nan 8.230 nan 0.000 0.434 432 V N -2.030 117.886 119.914 0.003 0.000 2.795 432 V HA -0.058 4.062 4.120 0.001 0.000 0.243 432 V C 1.996 177.981 176.094 -0.182 0.000 1.069 432 V CA 1.030 63.248 62.300 -0.137 0.000 1.089 432 V CB -0.551 31.121 31.823 -0.251 0.000 0.756 432 V HN 0.259 nan 8.190 nan 0.000 0.471 433 F N -0.054 119.903 119.950 0.011 0.000 2.367 433 F HA 0.010 4.538 4.527 0.001 0.000 0.298 433 F C 1.659 177.447 175.800 -0.019 0.000 1.094 433 F CA 0.375 58.379 58.000 0.007 0.000 1.409 433 F CB -0.268 38.749 39.000 0.029 0.000 1.064 433 F HN 0.161 nan 8.300 nan 0.000 0.528 434 C N -0.112 119.254 119.300 0.111 0.000 2.411 434 C HA 0.699 5.159 4.460 0.001 0.000 0.358 434 C C 0.916 175.843 174.990 -0.106 0.000 1.349 434 C CA -1.506 57.493 59.018 -0.031 0.000 2.326 434 C CB 0.347 27.980 27.740 -0.178 0.000 2.166 434 C HN 0.355 nan 8.230 nan 0.000 0.609 435 A N 2.775 125.507 122.820 -0.146 0.000 2.531 435 A HA 0.379 4.699 4.320 0.001 0.000 0.236 435 A C -1.972 175.508 177.584 -0.172 0.000 1.062 435 A CA -0.414 51.545 52.037 -0.129 0.000 0.760 435 A CB -0.629 18.300 19.000 -0.117 0.000 0.995 435 A HN 0.760 nan 8.150 nan 0.000 0.501 436 P HA 0.048 nan 4.420 nan 0.000 0.263 436 P C -0.195 177.064 177.300 -0.069 0.000 1.195 436 P CA 0.344 63.390 63.100 -0.090 0.000 0.762 436 P CB 0.805 32.478 31.700 -0.045 0.000 0.799 437 S N 2.824 118.499 115.700 -0.042 0.000 2.565 437 S HA 0.231 4.702 4.470 0.001 0.000 0.290 437 S C 0.033 174.810 174.600 0.295 0.000 1.150 437 S CA -0.660 57.600 58.200 0.099 0.000 1.058 437 S CB 0.492 63.806 63.200 0.190 0.000 1.032 437 S HN 0.276 nan 8.310 nan 0.000 0.510 438 Q N 1.795 121.738 119.800 0.240 0.000 2.317 438 Q HA 0.288 4.628 4.340 0.001 0.000 0.229 438 Q C 0.460 176.592 176.000 0.220 0.000 0.984 438 Q CA -0.225 55.694 55.803 0.194 0.000 0.911 438 Q CB 0.849 29.636 28.738 0.082 0.000 1.217 438 Q HN 0.884 nan 8.270 nan 0.000 0.501 439 T N -2.912 111.633 114.554 -0.015 0.000 2.874 439 T HA 0.549 4.900 4.350 0.001 0.000 0.281 439 T C 0.773 175.378 174.700 -0.157 0.000 0.994 439 T CA -0.185 61.713 62.100 -0.337 0.000 1.015 439 T CB 1.142 69.742 68.868 -0.446 0.000 1.028 439 T HN 0.560 nan 8.240 nan 0.000 0.523 440 A N 0.274 123.016 122.820 -0.130 0.000 1.942 440 A HA 0.409 4.729 4.320 0.001 0.000 0.209 440 A C -0.035 177.294 177.584 -0.426 0.000 1.214 440 A CA 0.177 52.137 52.037 -0.128 0.000 0.686 440 A CB -0.187 18.936 19.000 0.204 0.000 0.871 440 A HN 0.802 nan 8.150 nan 0.000 0.460 441 Y N -1.068 119.164 120.300 -0.114 0.000 2.457 441 Y HA 0.539 5.090 4.550 0.001 0.000 0.343 441 Y C -0.557 175.210 175.900 -0.221 0.000 0.994 441 Y CA -0.631 57.385 58.100 -0.141 0.000 1.031 441 Y CB 2.338 40.735 38.460 -0.104 0.000 1.246 441 Y HN -0.103 nan 8.280 nan 0.000 0.449 442 T N 3.032 117.529 114.554 -0.095 0.000 2.881 442 T HA 0.557 4.908 4.350 0.001 0.000 0.291 442 T C -1.142 173.390 174.700 -0.280 0.000 0.990 442 T CA -0.616 61.365 62.100 -0.198 0.000 0.976 442 T CB 1.056 69.837 68.868 -0.146 0.000 0.970 442 T HN 0.292 nan 8.240 nan 0.000 0.438 443 V N 3.986 123.586 119.914 -0.524 0.000 2.495 443 V HA 0.661 4.781 4.120 0.001 0.000 0.298 443 V C -0.462 175.413 176.094 -0.365 0.000 1.031 443 V CA -0.683 61.279 62.300 -0.563 0.000 0.871 443 V CB 1.944 33.078 31.823 -1.149 0.000 0.988 443 V HN 0.706 nan 8.190 nan 0.000 0.432 444 V N 4.150 123.940 119.914 -0.207 0.000 2.525 444 V HA 0.487 4.607 4.120 0.001 0.000 0.299 444 V C 0.519 176.568 176.094 -0.076 0.000 1.034 444 V CA -0.660 61.574 62.300 -0.111 0.000 0.863 444 V CB 1.301 33.082 31.823 -0.071 0.000 0.999 444 V HN 1.036 nan 8.190 nan 0.000 0.423 445 N N 3.224 121.898 118.700 -0.044 0.000 2.754 445 N HA -0.224 4.516 4.740 0.001 0.000 0.248 445 N C 1.101 176.571 175.510 -0.067 0.000 1.093 445 N CA 0.734 53.760 53.050 -0.040 0.000 0.699 445 N CB -0.534 37.940 38.487 -0.022 0.000 1.016 445 N HN 1.542 nan 8.380 nan 0.000 0.552 446 G N 0.058 108.818 108.800 -0.067 0.000 2.184 446 G HA2 -0.348 3.613 3.960 0.001 0.000 0.264 446 G HA3 -0.348 3.613 3.960 0.001 0.000 0.264 446 G C -0.077 174.779 174.900 -0.073 0.000 0.975 446 G CA 1.037 46.100 45.100 -0.062 0.000 0.642 446 G HN 0.585 nan 8.290 nan 0.000 0.536 447 K N 0.592 120.939 120.400 -0.088 0.000 2.244 447 K HA 0.589 4.910 4.320 0.001 0.000 0.260 447 K C 0.252 176.788 176.600 -0.106 0.000 0.951 447 K CA -0.792 55.447 56.287 -0.080 0.000 0.826 447 K CB 1.619 34.082 32.500 -0.061 0.000 1.108 447 K HN -0.009 nan 8.250 nan 0.000 0.433 448 V N 5.473 125.338 119.914 -0.081 0.000 2.421 448 V HA -0.021 4.099 4.120 0.001 0.000 0.271 448 V C 0.997 177.055 176.094 -0.060 0.000 1.031 448 V CA 0.054 62.312 62.300 -0.069 0.000 1.032 448 V CB 0.957 32.782 31.823 0.005 0.000 1.009 448 V HN 0.710 nan 8.190 nan 0.000 0.477 449 V N 5.578 125.441 119.914 -0.085 0.000 2.949 449 V HA 0.122 4.242 4.120 0.001 0.000 0.245 449 V C 0.509 176.560 176.094 -0.073 0.000 1.086 449 V CA 0.645 62.901 62.300 -0.075 0.000 1.097 449 V CB 0.982 32.755 31.823 -0.084 0.000 0.762 449 V HN 0.585 nan 8.190 nan 0.000 0.470 450 V N 1.241 121.104 119.914 -0.084 0.000 2.487 450 V HA 0.515 4.636 4.120 0.001 0.000 0.298 450 V C -0.312 175.702 176.094 -0.134 0.000 1.028 450 V CA -0.650 61.586 62.300 -0.106 0.000 0.860 450 V CB 1.910 33.661 31.823 -0.120 0.000 0.991 450 V HN 0.344 nan 8.190 nan 0.000 0.427 451 R N 3.396 123.790 120.500 -0.178 0.000 2.476 451 R HA 0.406 4.746 4.340 0.001 0.000 0.305 451 R C -0.010 176.047 176.300 -0.404 0.000 0.965 451 R CA -0.345 55.580 56.100 -0.292 0.000 0.867 451 R CB 0.929 31.185 30.300 -0.073 0.000 1.176 451 R HN 0.863 nan 8.270 nan 0.000 0.447 452 E N 2.630 122.367 120.200 -0.772 0.000 2.440 452 E HA -0.268 4.082 4.350 0.001 0.000 0.246 452 E C 0.427 176.874 176.600 -0.256 0.000 1.165 452 E CA 0.928 57.053 56.400 -0.459 0.000 0.726 452 E CB -1.033 28.526 29.700 -0.235 0.000 1.271 452 E HN 1.188 nan 8.360 nan 0.000 0.397 453 G N -0.066 108.576 108.800 -0.263 0.000 2.176 453 G HA2 -0.352 3.609 3.960 0.001 0.000 0.253 453 G HA3 -0.352 3.609 3.960 0.001 0.000 0.253 453 G C 0.203 175.035 174.900 -0.113 0.000 0.979 453 G CA 0.588 45.599 45.100 -0.147 0.000 0.641 453 G HN 0.286 nan 8.290 nan 0.000 0.530 454 R N -0.681 119.744 120.500 -0.125 0.000 2.664 454 R HA 0.651 4.992 4.340 0.001 0.000 0.286 454 R C -0.434 175.816 176.300 -0.083 0.000 0.967 454 R CA -1.129 54.920 56.100 -0.087 0.000 0.933 454 R CB 1.739 31.996 30.300 -0.072 0.000 1.146 454 R HN 0.130 nan 8.270 nan 0.000 0.468 455 L N 2.053 123.237 121.223 -0.064 0.000 2.418 455 L HA 0.141 4.481 4.340 0.001 0.000 0.274 455 L C 0.666 177.506 176.870 -0.050 0.000 1.135 455 L CA 0.740 55.545 54.840 -0.059 0.000 0.870 455 L CB 1.088 43.116 42.059 -0.052 0.000 1.154 455 L HN 0.915 nan 8.230 nan 0.000 0.462 456 A N 2.369 125.159 122.820 -0.049 0.000 2.252 456 A HA 0.068 4.388 4.320 0.001 0.000 0.213 456 A C 1.548 179.113 177.584 -0.031 0.000 1.188 456 A CA 0.695 52.710 52.037 -0.037 0.000 0.863 456 A CB -0.457 18.524 19.000 -0.031 0.000 0.893 456 A HN 0.807 nan 8.150 nan 0.000 0.495 457 T N -1.773 112.759 114.554 -0.036 0.000 3.100 457 T HA 0.428 4.778 4.350 0.001 0.000 0.253 457 T C 0.194 174.878 174.700 -0.027 0.000 1.118 457 T CA 0.709 62.789 62.100 -0.032 0.000 1.058 457 T CB -0.698 68.147 68.868 -0.038 0.000 0.953 457 T HN 0.869 nan 8.240 nan 0.000 0.515 458 L N -3.234 117.972 121.223 -0.028 0.000 2.947 458 L HA 0.643 4.984 4.340 0.001 0.000 0.267 458 L C -1.913 174.944 176.870 -0.023 0.000 1.004 458 L CA -1.285 53.542 54.840 -0.023 0.000 0.937 458 L CB 0.832 42.877 42.059 -0.024 0.000 1.496 458 L HN -0.211 nan 8.230 nan 0.000 0.409 459 D N 0.995 121.385 120.400 -0.017 0.000 2.383 459 D HA 0.251 4.892 4.640 0.001 0.000 0.245 459 D C 0.749 177.039 176.300 -0.016 0.000 1.263 459 D CA -0.034 53.957 54.000 -0.016 0.000 0.936 459 D CB 0.920 41.714 40.800 -0.011 0.000 1.053 459 D HN 0.698 nan 8.370 nan 0.000 0.507 460 L N 6.699 127.908 121.223 -0.022 0.000 2.017 460 L HA 0.042 4.382 4.340 0.001 0.000 0.208 460 L C -0.947 175.912 176.870 -0.018 0.000 1.073 460 L CA 1.673 56.499 54.840 -0.024 0.000 0.745 460 L CB -1.099 40.940 42.059 -0.034 0.000 0.894 460 L HN 0.369 nan 8.230 nan 0.000 0.432 461 P HA -0.195 nan 4.420 nan 0.000 0.217 461 P C -1.385 175.914 177.300 -0.001 0.000 1.162 461 P CA 2.574 65.668 63.100 -0.010 0.000 0.901 461 P CB -1.340 30.354 31.700 -0.009 0.000 0.793 462 P HA -0.072 nan 4.420 nan 0.000 0.222 462 P C 1.509 178.820 177.300 0.018 0.000 1.147 462 P CA 1.155 64.260 63.100 0.008 0.000 0.790 462 P CB -0.324 31.379 31.700 0.005 0.000 0.780 463 V N 1.103 121.026 119.914 0.015 0.000 2.323 463 V HA -0.205 3.916 4.120 0.001 0.000 0.244 463 V C 2.689 178.817 176.094 0.056 0.000 1.041 463 V CA 1.930 64.248 62.300 0.030 0.000 1.025 463 V CB -1.202 30.629 31.823 0.012 0.000 0.656 463 V HN 0.069 nan 8.190 nan 0.000 0.451 464 I N -0.177 120.407 120.570 0.024 0.000 2.493 464 I HA -0.165 4.006 4.170 0.001 0.000 0.254 464 I C 2.233 178.396 176.117 0.076 0.000 1.160 464 I CA 1.979 63.294 61.300 0.025 0.000 1.445 464 I CB -0.718 37.259 38.000 -0.038 0.000 1.086 464 I HN 0.429 nan 8.210 nan 0.000 0.433 465 E N 1.118 121.347 120.200 0.049 0.000 2.077 465 E HA -0.311 4.039 4.350 0.001 0.000 0.193 465 E C 2.321 178.958 176.600 0.062 0.000 0.989 465 E CA 1.088 57.515 56.400 0.045 0.000 0.800 465 E CB -0.129 29.585 29.700 0.024 0.000 0.746 465 E HN 0.443 nan 8.360 nan 0.000 0.452 466 R N -0.049 120.491 120.500 0.066 0.000 2.075 466 R HA -0.158 4.183 4.340 0.001 0.000 0.232 466 R C 2.160 178.512 176.300 0.085 0.000 1.126 466 R CA 2.237 58.373 56.100 0.061 0.000 0.963 466 R CB -0.977 29.353 30.300 0.049 0.000 0.858 466 R HN 0.390 nan 8.270 nan 0.000 0.435 467 H N 0.211 119.293 119.070 0.020 0.000 2.289 467 H HA -0.094 4.462 4.556 0.001 0.000 0.296 467 H C 1.447 176.800 175.328 0.041 0.000 1.091 467 H CA 2.496 58.560 56.048 0.028 0.000 1.274 467 H CB -0.094 29.681 29.762 0.021 0.000 1.364 467 H HN 0.282 nan 8.280 nan 0.000 0.490 468 N N 0.028 118.854 118.700 0.211 0.000 2.244 468 N HA -0.094 4.647 4.740 0.001 0.000 0.183 468 N C 1.898 177.465 175.510 0.095 0.000 1.016 468 N CA 1.045 54.185 53.050 0.150 0.000 0.866 468 N CB -0.390 38.172 38.487 0.125 0.000 0.980 468 N HN 0.527 nan 8.380 nan 0.000 0.430 469 A N 1.160 124.019 122.820 0.065 0.000 1.897 469 A HA 0.024 4.345 4.320 0.001 0.000 0.215 469 A C 2.380 180.003 177.584 0.065 0.000 1.181 469 A CA 0.639 52.706 52.037 0.050 0.000 0.620 469 A CB -0.582 18.432 19.000 0.023 0.000 0.821 469 A HN 0.155 nan 8.150 nan 0.000 0.443 470 L N -0.695 120.543 121.223 0.025 0.000 2.046 470 L HA -0.195 4.146 4.340 0.001 0.000 0.208 470 L C 3.142 180.009 176.870 -0.004 0.000 1.077 470 L CA 1.033 55.871 54.840 -0.002 0.000 0.747 470 L CB -0.608 41.421 42.059 -0.050 0.000 0.896 470 L HN 0.449 nan 8.230 nan 0.000 0.432 471 A N -0.688 122.115 122.820 -0.028 0.000 1.873 471 A HA -0.316 4.004 4.320 0.001 0.000 0.218 471 A C 2.306 179.914 177.584 0.039 0.000 1.193 471 A CA 2.032 54.065 52.037 -0.007 0.000 0.629 471 A CB -1.053 17.960 19.000 0.022 0.000 0.826 471 A HN 0.523 nan 8.150 nan 0.000 0.447 472 H N 0.058 119.125 119.070 -0.005 0.000 2.319 472 H HA -0.076 4.481 4.556 0.001 0.000 0.299 472 H C 2.225 177.542 175.328 -0.018 0.000 1.092 472 H CA 1.915 57.960 56.048 -0.005 0.000 1.302 472 H CB -0.318 29.443 29.762 -0.001 0.000 1.373 472 H HN 0.397 nan 8.280 nan 0.000 0.497 473 A N 0.934 123.828 122.820 0.122 0.000 2.125 473 A HA -0.092 4.229 4.320 0.001 0.000 0.219 473 A C 2.486 180.043 177.584 -0.044 0.000 1.156 473 A CA 1.096 53.163 52.037 0.049 0.000 0.671 473 A CB -0.574 18.464 19.000 0.064 0.000 0.794 473 A HN 0.422 nan 8.150 nan 0.000 0.459 474 L N -0.495 120.707 121.223 -0.037 0.000 2.044 474 L HA -0.019 4.321 4.340 0.001 0.000 0.205 474 L C 2.302 179.125 176.870 -0.077 0.000 1.075 474 L CA 1.814 56.640 54.840 -0.023 0.000 0.747 474 L CB -0.505 41.571 42.059 0.028 0.000 0.903 474 L HN 0.118 nan 8.230 nan 0.000 0.435 475 V N -0.226 119.618 119.914 -0.116 0.000 2.667 475 V HA -0.149 3.972 4.120 0.001 0.000 0.252 475 V C 2.628 178.598 176.094 -0.205 0.000 1.065 475 V CA 1.365 63.576 62.300 -0.149 0.000 1.083 475 V CB -0.628 31.099 31.823 -0.160 0.000 0.692 475 V HN 0.476 nan 8.190 nan 0.000 0.468 476 E N 0.730 120.775 120.200 -0.259 0.000 2.072 476 E HA -0.184 4.167 4.350 0.001 0.000 0.191 476 E C 2.321 178.799 176.600 -0.202 0.000 0.985 476 E CA 1.501 57.765 56.400 -0.226 0.000 0.801 476 E CB -0.108 29.483 29.700 -0.181 0.000 0.750 476 E HN 0.533 nan 8.360 nan 0.000 0.452 477 A N 1.214 123.875 122.820 -0.264 0.000 1.877 477 A HA -0.083 4.237 4.320 0.001 0.000 0.216 477 A C 2.419 179.652 177.584 -0.585 0.000 1.186 477 A CA 2.089 53.862 52.037 -0.438 0.000 0.620 477 A CB -0.695 17.955 19.000 -0.583 0.000 0.822 477 A HN 0.309 nan 8.150 nan 0.000 0.443 478 A N -0.658 121.871 122.820 -0.486 0.000 2.019 478 A HA -0.036 4.284 4.320 0.001 0.000 0.219 478 A C 1.695 179.230 177.584 -0.081 0.000 1.164 478 A CA 0.932 52.879 52.037 -0.151 0.000 0.644 478 A CB -0.257 18.756 19.000 0.021 0.000 0.805 478 A HN 0.562 nan 8.150 nan 0.000 0.449 479 R N 0.000 120.428 120.500 -0.121 0.000 2.786 479 R HA 0.000 4.340 4.340 0.001 0.000 0.208 479 R CA 0.000 56.052 56.100 -0.080 0.000 0.921 479 R CB 0.000 30.248 30.300 -0.087 0.000 0.687 479 R HN 0.000 nan 8.270 nan 0.000 0.535