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 3c0p_1_A DATA FIRST_RESID 33 DATA SEQUENCE PWPASLAALA LDGKLRTDSN ATAAASTDFG NITSALPAAV LYPSSTADLV DATA SEQUENCE ALLSAANSTP GWPYTIAFRG RGHSLMGQAF APGGVVVNMA SLGDAAAPPR DATA SEQUENCE INVSADGRYV DAGGEQVWID VLRASLARGV APRSWTDYLY LTVGGTLSNA DATA SEQUENCE GISGQAFRHG PQISNVLEMD VITGHGEMVT CSKQLNADLF DAVLGGLGQF DATA SEQUENCE GVITRARIAV EPAPARARWV RLVYTDFAAF SADQERLTAP RXXXXXXSFG DATA SEQUENCE PMSYVEGSVF VNQSLATDLA NTGFFTDADV ARIVALAGER NATTVYSIEA DATA SEQUENCE TLNYDNATAA AAAVDQELAS VLGTLSYVEG FAFQRDVAYA AFLDRVHGEE DATA SEQUENCE VALNKLGLWR VPHPWLNMFV PRSRIADFDR GVFKGILQGT DIVGPLIVYP DATA SEQUENCE LNKSMWDDGM SAATPSEDVF YAVSLLFSSV APNDLARLQE QNRRILRFCD DATA SEQUENCE LAGIQYKTYL ARHTDRSDWV RHFGAAKWNR FVEMKNKYDP KRLLSPGQDI DATA SEQUENCE FN 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 33 P HA 0.000 nan 4.420 nan 0.000 0.216 33 P C 0.000 177.554 177.300 0.423 0.000 1.155 33 P CA 0.000 63.271 63.100 0.285 0.000 0.800 33 P CB 0.000 31.804 31.700 0.174 0.000 0.726 34 W N 1.783 123.135 121.300 0.086 0.000 2.520 34 W HA 0.538 5.198 4.660 -0.000 0.000 0.323 34 W C -2.091 174.486 176.519 0.097 0.000 1.062 34 W CA -1.541 55.871 57.345 0.111 0.000 1.215 34 W CB 0.330 29.847 29.460 0.094 0.000 1.340 34 W HN 0.168 nan 8.180 nan 0.000 0.516 35 P HA 0.172 nan 4.420 nan 0.000 0.271 35 P C 0.567 177.986 177.300 0.198 0.000 1.218 35 P CA 0.066 63.274 63.100 0.181 0.000 0.780 35 P CB 0.933 32.701 31.700 0.113 0.000 0.901 36 A N 2.163 125.067 122.820 0.140 0.000 1.892 36 A HA -0.236 4.087 4.320 0.004 0.000 0.218 36 A C 2.146 179.805 177.584 0.124 0.000 1.188 36 A CA 2.521 54.630 52.037 0.121 0.000 0.631 36 A CB -1.709 17.340 19.000 0.082 0.000 0.822 36 A HN 0.637 nan 8.150 nan 0.000 0.447 37 S N -0.681 115.083 115.700 0.106 0.000 2.402 37 S HA -0.100 4.373 4.470 0.004 0.000 0.229 37 S C 1.792 176.470 174.600 0.129 0.000 1.021 37 S CA 1.370 59.627 58.200 0.095 0.000 0.974 37 S CB -0.508 62.730 63.200 0.064 0.000 0.800 37 S HN 0.396 nan 8.310 nan 0.000 0.484 38 L N 2.007 123.330 121.223 0.167 0.000 2.072 38 L HA 0.296 4.638 4.340 0.004 0.000 0.205 38 L C 2.664 179.765 176.870 0.384 0.000 1.079 38 L CA 1.549 56.520 54.840 0.219 0.000 0.752 38 L CB -1.203 40.955 42.059 0.166 0.000 0.906 38 L HN 0.330 nan 8.230 nan 0.000 0.436 39 A N -0.562 122.515 122.820 0.428 0.000 1.930 39 A HA -0.069 4.254 4.320 0.004 0.000 0.217 39 A C 2.430 180.129 177.584 0.191 0.000 1.175 39 A CA 1.533 53.784 52.037 0.356 0.000 0.627 39 A CB -1.045 18.084 19.000 0.215 0.000 0.815 39 A HN 0.530 nan 8.150 nan 0.000 0.443 40 A N -0.080 122.834 122.820 0.156 0.000 1.933 40 A HA -0.064 4.258 4.320 0.004 0.000 0.218 40 A C 2.116 179.767 177.584 0.111 0.000 1.175 40 A CA 1.482 53.583 52.037 0.106 0.000 0.628 40 A CB -0.585 18.468 19.000 0.088 0.000 0.814 40 A HN 0.490 nan 8.150 nan 0.000 0.444 41 L N -0.965 120.345 121.223 0.145 0.000 2.083 41 L HA -0.191 4.151 4.340 0.004 0.000 0.209 41 L C 3.070 180.029 176.870 0.148 0.000 1.083 41 L CA 0.981 55.905 54.840 0.141 0.000 0.752 41 L CB -0.576 41.576 42.059 0.154 0.000 0.899 41 L HN 0.449 nan 8.230 nan 0.000 0.433 42 A N 0.219 123.148 122.820 0.181 0.000 1.898 42 A HA -0.139 4.183 4.320 0.004 0.000 0.216 42 A C 2.264 179.889 177.584 0.069 0.000 1.181 42 A CA 1.248 53.369 52.037 0.139 0.000 0.620 42 A CB -0.613 18.457 19.000 0.116 0.000 0.819 42 A HN 0.321 nan 8.150 nan 0.000 0.442 43 L N -0.296 120.959 121.223 0.053 0.000 2.017 43 L HA -0.197 4.145 4.340 0.004 0.000 0.208 43 L C 1.562 178.453 176.870 0.035 0.000 1.073 43 L CA 1.537 56.395 54.840 0.029 0.000 0.745 43 L CB -0.705 41.369 42.059 0.025 0.000 0.894 43 L HN 0.291 nan 8.230 nan 0.000 0.432 44 D N 0.193 120.623 120.400 0.050 0.000 2.392 44 D HA -0.002 4.641 4.640 0.004 0.000 0.228 44 D C 1.478 177.806 176.300 0.047 0.000 1.003 44 D CA 1.013 55.040 54.000 0.046 0.000 0.917 44 D CB -0.170 40.663 40.800 0.054 0.000 0.890 44 D HN 0.442 nan 8.370 nan 0.000 0.532 45 G N 0.831 109.663 108.800 0.054 0.000 2.176 45 G HA2 -0.390 3.573 3.960 0.004 0.000 0.252 45 G HA3 -0.390 3.573 3.960 0.004 0.000 0.252 45 G C 1.063 176.016 174.900 0.088 0.000 1.024 45 G CA 0.487 45.619 45.100 0.053 0.000 0.755 45 G HN 0.376 nan 8.290 nan 0.000 0.507 46 K N -1.189 119.285 120.400 0.124 0.000 2.262 46 K HA 0.251 4.574 4.320 0.004 0.000 0.200 46 K C 0.836 177.580 176.600 0.239 0.000 1.049 46 K CA 0.321 56.720 56.287 0.188 0.000 0.979 46 K CB 0.234 32.826 32.500 0.153 0.000 0.773 46 K HN 0.263 nan 8.250 nan 0.000 0.474 47 L N 2.449 123.783 121.223 0.184 0.000 2.264 47 L HA 0.278 4.621 4.340 0.004 0.000 0.287 47 L C -0.390 176.578 176.870 0.162 0.000 1.039 47 L CA 0.182 55.123 54.840 0.168 0.000 0.829 47 L CB 0.973 43.136 42.059 0.173 0.000 1.211 47 L HN 0.062 nan 8.230 nan 0.000 0.427 48 R N 1.432 122.049 120.500 0.195 0.000 2.460 48 R HA 0.429 4.772 4.340 0.004 0.000 0.303 48 R C 0.758 177.124 176.300 0.110 0.000 0.968 48 R CA -0.257 55.944 56.100 0.169 0.000 0.889 48 R CB 1.713 32.172 30.300 0.265 0.000 1.123 48 R HN 0.608 nan 8.270 nan 0.000 0.455 49 T N -3.405 111.194 114.554 0.074 0.000 3.040 49 T HA -0.001 4.351 4.350 0.004 0.000 0.266 49 T C 0.409 175.132 174.700 0.040 0.000 1.005 49 T CA -0.557 61.570 62.100 0.045 0.000 0.906 49 T CB -0.044 68.845 68.868 0.034 0.000 1.082 49 T HN 0.631 nan 8.240 nan 0.000 0.531 50 D N 2.636 123.065 120.400 0.048 0.000 2.449 50 D HA -0.017 4.626 4.640 0.004 0.000 0.236 50 D C 1.372 177.693 176.300 0.035 0.000 1.149 50 D CA 0.444 54.465 54.000 0.036 0.000 0.878 50 D CB 1.327 42.148 40.800 0.034 0.000 1.198 50 D HN 0.302 nan 8.370 nan 0.000 0.446 51 S N 2.255 117.968 115.700 0.022 0.000 2.419 51 S HA -0.275 4.198 4.470 0.004 0.000 0.235 51 S C 1.232 175.847 174.600 0.024 0.000 1.019 51 S CA 1.121 59.331 58.200 0.016 0.000 0.982 51 S CB -0.479 62.725 63.200 0.008 0.000 0.789 51 S HN 0.529 nan 8.310 nan 0.000 0.490 52 N N 2.798 121.518 118.700 0.032 0.000 2.106 52 N HA 0.133 4.876 4.740 0.004 0.000 0.188 52 N C 1.991 177.541 175.510 0.068 0.000 1.029 52 N CA 1.497 54.571 53.050 0.041 0.000 0.848 52 N CB -0.766 37.742 38.487 0.035 0.000 1.007 52 N HN 0.567 nan 8.380 nan 0.000 0.423 53 A N 0.377 123.254 122.820 0.096 0.000 1.841 53 A HA -0.140 4.182 4.320 0.004 0.000 0.214 53 A C 2.332 179.974 177.584 0.098 0.000 1.195 53 A CA 2.247 54.381 52.037 0.163 0.000 0.611 53 A CB -1.507 17.641 19.000 0.247 0.000 0.835 53 A HN 0.475 nan 8.150 nan 0.000 0.443 54 T N -1.718 112.869 114.554 0.055 0.000 2.803 54 T HA -0.028 4.324 4.350 0.004 0.000 0.269 54 T C 1.873 176.564 174.700 -0.015 0.000 1.052 54 T CA 1.871 63.977 62.100 0.009 0.000 1.136 54 T CB -0.597 68.269 68.868 -0.004 0.000 0.864 54 T HN 0.585 nan 8.240 nan 0.000 0.467 55 A N 1.829 124.649 122.820 -0.001 0.000 1.898 55 A HA 0.429 4.752 4.320 0.004 0.000 0.216 55 A C 2.842 180.422 177.584 -0.006 0.000 1.181 55 A CA 1.648 53.674 52.037 -0.018 0.000 0.620 55 A CB -1.355 17.642 19.000 -0.004 0.000 0.819 55 A HN 0.765 nan 8.150 nan 0.000 0.442 56 A N -0.393 122.448 122.820 0.035 0.000 1.972 56 A HA 0.243 4.566 4.320 0.004 0.000 0.219 56 A C 2.093 179.717 177.584 0.066 0.000 1.169 56 A CA 1.730 53.805 52.037 0.064 0.000 0.635 56 A CB -0.617 18.445 19.000 0.103 0.000 0.810 56 A HN 1.108 nan 8.150 nan 0.000 0.446 57 A N -0.098 122.747 122.820 0.042 0.000 2.415 57 A HA 0.361 4.683 4.320 0.004 0.000 0.248 57 A C 1.711 179.277 177.584 -0.030 0.000 1.299 57 A CA 0.897 52.965 52.037 0.052 0.000 0.899 57 A CB -0.504 18.514 19.000 0.029 0.000 0.997 57 A HN 0.796 nan 8.150 nan 0.000 0.506 58 S N -0.897 114.716 115.700 -0.145 0.000 2.524 58 S HA 0.151 4.624 4.470 0.004 0.000 0.215 58 S C 0.742 174.957 174.600 -0.641 0.000 0.986 58 S CA 0.563 58.485 58.200 -0.463 0.000 0.911 58 S CB -0.387 62.633 63.200 -0.300 0.000 0.805 58 S HN 0.631 nan 8.310 nan 0.000 0.501 59 T N 0.035 114.523 114.554 -0.111 0.000 2.901 59 T HA 0.731 5.083 4.350 0.004 0.000 0.293 59 T C -1.519 173.437 174.700 0.426 0.000 1.084 59 T CA -0.589 61.608 62.100 0.162 0.000 1.008 59 T CB 2.102 71.006 68.868 0.061 0.000 1.170 59 T HN 0.295 nan 8.240 nan 0.000 0.509 60 D N -0.359 120.250 120.400 0.349 0.000 2.732 60 D HA 0.343 4.985 4.640 0.004 0.000 0.292 60 D C 0.478 176.811 176.300 0.054 0.000 1.135 60 D CA -1.231 52.869 54.000 0.166 0.000 1.071 60 D CB 0.115 40.920 40.800 0.009 0.000 1.457 60 D HN 0.367 nan 8.370 nan 0.000 0.547 61 F N 0.684 120.522 119.950 -0.186 0.000 2.202 61 F HA 0.068 4.597 4.527 0.003 0.000 0.301 61 F C 2.097 177.769 175.800 -0.214 0.000 1.082 61 F CA 2.298 60.118 58.000 -0.299 0.000 1.313 61 F CB -0.401 38.259 39.000 -0.568 0.000 1.024 61 F HN 0.469 nan 8.300 nan 0.000 0.495 62 G N -0.213 108.475 108.800 -0.186 0.000 2.442 62 G HA2 -0.368 3.595 3.960 0.004 0.000 0.219 62 G HA3 -0.368 3.595 3.960 0.004 0.000 0.219 62 G C 0.930 175.647 174.900 -0.305 0.000 1.141 62 G CA 0.921 45.861 45.100 -0.268 0.000 0.763 62 G HN 0.642 nan 8.290 nan 0.000 0.554 63 N N -1.168 117.413 118.700 -0.198 0.000 2.725 63 N HA -0.176 4.566 4.740 0.004 0.000 0.249 63 N C 0.876 176.299 175.510 -0.144 0.000 1.103 63 N CA 0.559 53.502 53.050 -0.177 0.000 0.707 63 N CB -0.724 37.579 38.487 -0.307 0.000 1.043 63 N HN 0.463 nan 8.380 nan 0.000 0.553 64 I N -1.610 118.907 120.570 -0.089 0.000 3.812 64 I HA 0.058 4.230 4.170 0.004 0.000 0.292 64 I C 1.122 177.235 176.117 -0.007 0.000 1.206 64 I CA 0.466 61.726 61.300 -0.067 0.000 1.370 64 I CB 0.890 38.843 38.000 -0.078 0.000 1.328 64 I HN 0.172 nan 8.210 nan 0.000 0.453 65 T N 0.396 114.983 114.554 0.056 0.000 2.932 65 T HA 0.630 4.983 4.350 0.004 0.000 0.289 65 T C -0.668 174.182 174.700 0.250 0.000 1.039 65 T CA -0.392 61.788 62.100 0.132 0.000 1.024 65 T CB 1.290 70.256 68.868 0.162 0.000 1.090 65 T HN 0.275 nan 8.240 nan 0.000 0.496 66 S N 0.885 116.669 115.700 0.139 0.000 2.550 66 S HA 0.857 5.329 4.470 0.004 0.000 0.270 66 S C -1.313 173.121 174.600 -0.276 0.000 1.145 66 S CA -0.701 57.408 58.200 -0.152 0.000 0.852 66 S CB 1.459 64.570 63.200 -0.147 0.000 1.119 66 S HN 1.365 nan 8.310 nan 0.000 0.465 67 A N 1.903 124.333 122.820 -0.650 0.000 2.500 67 A HA 0.599 4.922 4.320 0.004 0.000 0.291 67 A C -1.181 176.173 177.584 -0.382 0.000 1.048 67 A CA -0.681 51.138 52.037 -0.363 0.000 0.791 67 A CB 0.725 19.635 19.000 -0.150 0.000 1.309 67 A HN 0.889 nan 8.150 nan 0.000 0.397 68 L N 4.517 125.618 121.223 -0.204 0.000 2.367 68 L HA 0.412 4.755 4.340 0.004 0.000 0.275 68 L C -1.714 175.104 176.870 -0.085 0.000 1.129 68 L CA -1.433 53.321 54.840 -0.144 0.000 0.839 68 L CB 1.253 43.259 42.059 -0.088 0.000 1.133 68 L HN 0.548 nan 8.230 nan 0.000 0.453 69 P HA 0.203 nan 4.420 nan 0.000 0.280 69 P C -0.232 177.057 177.300 -0.019 0.000 1.272 69 P CA -0.562 62.522 63.100 -0.027 0.000 0.819 69 P CB 1.643 33.327 31.700 -0.027 0.000 1.122 70 A N 0.605 123.418 122.820 -0.012 0.000 1.970 70 A HA 0.416 4.739 4.320 0.004 0.000 0.216 70 A C 1.069 178.618 177.584 -0.060 0.000 1.170 70 A CA 1.587 53.610 52.037 -0.023 0.000 0.645 70 A CB -0.708 18.282 19.000 -0.015 0.000 0.816 70 A HN 0.798 nan 8.150 nan 0.000 0.447 71 A N -2.228 120.544 122.820 -0.080 0.000 2.599 71 A HA 0.600 4.922 4.320 0.004 0.000 0.290 71 A C -1.468 176.082 177.584 -0.057 0.000 1.101 71 A CA -0.323 51.679 52.037 -0.058 0.000 0.674 71 A CB 0.785 19.732 19.000 -0.089 0.000 1.277 71 A HN 0.512 nan 8.150 nan 0.000 0.419 72 V N 0.828 120.717 119.914 -0.042 0.000 2.588 72 V HA 0.561 4.683 4.120 0.004 0.000 0.304 72 V C -1.013 174.970 176.094 -0.186 0.000 1.042 72 V CA -0.477 61.735 62.300 -0.146 0.000 0.877 72 V CB 1.492 33.197 31.823 -0.197 0.000 0.996 72 V HN 0.883 nan 8.190 nan 0.000 0.425 73 L N 5.348 126.436 121.223 -0.224 0.000 2.295 73 L HA 0.563 4.905 4.340 0.004 0.000 0.285 73 L C -1.127 175.591 176.870 -0.253 0.000 1.035 73 L CA 0.068 54.838 54.840 -0.118 0.000 0.806 73 L CB 0.931 42.982 42.059 -0.013 0.000 1.214 73 L HN 0.596 nan 8.230 nan 0.000 0.426 74 Y N 6.286 126.624 120.300 0.064 0.000 2.836 74 Y HA 0.385 4.941 4.550 0.009 0.000 0.359 74 Y C -2.028 173.905 175.900 0.056 0.000 1.060 74 Y CA -2.295 55.841 58.100 0.060 0.000 1.161 74 Y CB 0.021 38.512 38.460 0.052 0.000 1.225 74 Y HN 0.524 nan 8.280 nan 0.000 0.621 75 P HA 0.006 nan 4.420 nan 0.000 0.268 75 P C 0.493 177.851 177.300 0.097 0.000 1.205 75 P CA 0.278 63.441 63.100 0.104 0.000 0.771 75 P CB 1.855 33.599 31.700 0.074 0.000 0.858 76 S N 0.800 116.546 115.700 0.076 0.000 2.511 76 S HA 0.170 4.643 4.470 0.004 0.000 0.214 76 S C 0.696 175.320 174.600 0.039 0.000 0.997 76 S CA 0.138 58.374 58.200 0.059 0.000 0.908 76 S CB -0.291 62.941 63.200 0.053 0.000 0.803 76 S HN 0.713 nan 8.310 nan 0.000 0.504 77 S N 0.221 115.942 115.700 0.036 0.000 2.615 77 S HA 0.436 4.908 4.470 0.004 0.000 0.269 77 S C 0.666 175.275 174.600 0.015 0.000 1.161 77 S CA -0.001 58.211 58.200 0.020 0.000 0.817 77 S CB 0.703 63.914 63.200 0.018 0.000 1.131 77 S HN 0.292 nan 8.310 nan 0.000 0.467 78 T N -1.364 113.190 114.554 0.000 0.000 2.929 78 T HA 0.014 4.367 4.350 0.004 0.000 0.271 78 T C 1.978 176.677 174.700 -0.002 0.000 1.085 78 T CA 1.287 63.381 62.100 -0.010 0.000 1.125 78 T CB -0.909 67.944 68.868 -0.024 0.000 0.874 78 T HN 1.129 nan 8.240 nan 0.000 0.494 79 A N 2.348 125.172 122.820 0.006 0.000 1.933 79 A HA -0.123 4.200 4.320 0.004 0.000 0.218 79 A C 2.162 179.758 177.584 0.020 0.000 1.175 79 A CA 1.689 53.732 52.037 0.011 0.000 0.628 79 A CB -0.699 18.310 19.000 0.015 0.000 0.814 79 A HN 0.500 nan 8.150 nan 0.000 0.444 80 D N 0.023 120.440 120.400 0.029 0.000 2.178 80 D HA -0.078 4.564 4.640 0.004 0.000 0.202 80 D C 1.888 178.212 176.300 0.040 0.000 0.974 80 D CA 0.838 54.864 54.000 0.043 0.000 0.841 80 D CB -0.254 40.580 40.800 0.058 0.000 0.953 80 D HN 0.485 nan 8.370 nan 0.000 0.478 81 L N 0.262 121.502 121.223 0.029 0.000 2.109 81 L HA -0.092 4.250 4.340 0.004 0.000 0.207 81 L C 2.495 179.373 176.870 0.013 0.000 1.086 81 L CA 0.432 55.291 54.840 0.031 0.000 0.760 81 L CB -0.273 41.788 42.059 0.004 0.000 0.910 81 L HN -0.078 nan 8.230 nan 0.000 0.437 82 V N 0.285 120.200 119.914 0.001 0.000 2.343 82 V HA -0.288 3.835 4.120 0.004 0.000 0.247 82 V C 2.803 178.888 176.094 -0.015 0.000 1.051 82 V CA 1.798 64.093 62.300 -0.009 0.000 1.036 82 V CB -0.886 30.933 31.823 -0.006 0.000 0.654 82 V HN 0.468 nan 8.190 nan 0.000 0.451 83 A N 0.025 122.845 122.820 0.000 0.000 1.883 83 A HA -0.237 4.086 4.320 0.004 0.000 0.217 83 A C 2.191 179.758 177.584 -0.028 0.000 1.186 83 A CA 2.327 54.365 52.037 0.002 0.000 0.624 83 A CB -0.666 18.355 19.000 0.034 0.000 0.822 83 A HN 0.463 nan 8.150 nan 0.000 0.444 84 L N -0.228 120.984 121.223 -0.018 0.000 1.994 84 L HA -0.123 4.219 4.340 0.004 0.000 0.208 84 L C 2.323 179.078 176.870 -0.193 0.000 1.071 84 L CA 1.923 56.731 54.840 -0.053 0.000 0.745 84 L CB -0.532 41.539 42.059 0.020 0.000 0.892 84 L HN 0.404 nan 8.230 nan 0.000 0.431 85 L N -1.131 120.016 121.223 -0.127 0.000 2.093 85 L HA -0.154 4.188 4.340 0.004 0.000 0.208 85 L C 2.452 179.194 176.870 -0.214 0.000 1.085 85 L CA 1.184 55.920 54.840 -0.174 0.000 0.755 85 L CB -0.656 41.370 42.059 -0.056 0.000 0.904 85 L HN 0.247 nan 8.230 nan 0.000 0.435 86 S N -0.016 115.598 115.700 -0.143 0.000 2.368 86 S HA -0.131 4.342 4.470 0.004 0.000 0.224 86 S C 2.232 176.724 174.600 -0.179 0.000 1.029 86 S CA 1.092 59.223 58.200 -0.114 0.000 0.988 86 S CB -0.255 62.910 63.200 -0.057 0.000 0.838 86 S HN 0.488 nan 8.310 nan 0.000 0.462 87 A N 2.016 124.695 122.820 -0.234 0.000 1.851 87 A HA 0.016 4.339 4.320 0.004 0.000 0.216 87 A C 2.418 179.674 177.584 -0.547 0.000 1.195 87 A CA 1.912 53.786 52.037 -0.271 0.000 0.622 87 A CB -1.393 17.478 19.000 -0.215 0.000 0.831 87 A HN 0.528 nan 8.150 nan 0.000 0.444 88 A N 0.055 122.163 122.820 -1.186 0.000 1.948 88 A HA -0.276 4.046 4.320 0.004 0.000 0.220 88 A C 1.961 179.150 177.584 -0.658 0.000 1.177 88 A CA 2.419 53.423 52.037 -1.722 0.000 0.636 88 A CB -0.863 16.983 19.000 -1.924 0.000 0.815 88 A HN 0.683 nan 8.150 nan 0.000 0.449 89 N N -0.046 118.416 118.700 -0.398 0.000 2.244 89 N HA -0.131 4.612 4.740 0.004 0.000 0.183 89 N C 1.750 177.214 175.510 -0.078 0.000 1.016 89 N CA 2.048 55.000 53.050 -0.162 0.000 0.866 89 N CB -0.158 38.294 38.487 -0.057 0.000 0.980 89 N HN 0.487 nan 8.380 nan 0.000 0.430 90 S N -2.389 113.258 115.700 -0.089 0.000 2.486 90 S HA 0.098 4.570 4.470 0.004 0.000 0.220 90 S C 0.551 175.160 174.600 0.015 0.000 1.011 90 S CA -0.119 58.066 58.200 -0.025 0.000 0.921 90 S CB -0.427 62.762 63.200 -0.020 0.000 0.785 90 S HN 0.079 nan 8.310 nan 0.000 0.517 91 T N 5.198 119.773 114.554 0.035 0.000 2.738 91 T HA 0.380 4.732 4.350 0.004 0.000 0.294 91 T C -2.735 172.054 174.700 0.148 0.000 0.914 91 T CA -0.995 61.188 62.100 0.138 0.000 1.052 91 T CB 0.779 69.837 68.868 0.316 0.000 0.897 91 T HN 0.210 nan 8.240 nan 0.000 0.522 92 P HA 0.249 nan 4.420 nan 0.000 0.267 92 P C 1.058 178.410 177.300 0.086 0.000 1.205 92 P CA 0.590 63.736 63.100 0.078 0.000 0.765 92 P CB 0.437 32.168 31.700 0.052 0.000 0.828 93 G N 2.154 111.001 108.800 0.079 0.000 2.162 93 G HA2 -0.225 3.738 3.960 0.004 0.000 0.260 93 G HA3 -0.225 3.738 3.960 0.004 0.000 0.260 93 G C -0.019 174.910 174.900 0.048 0.000 0.976 93 G CA -0.509 44.618 45.100 0.045 0.000 0.655 93 G HN 0.636 nan 8.290 nan 0.000 0.533 94 W N 2.563 123.816 121.300 -0.078 0.000 2.534 94 W HA 0.295 4.955 4.660 -0.000 0.000 0.340 94 W C -1.279 175.143 176.519 -0.162 0.000 1.352 94 W CA -0.161 57.120 57.345 -0.107 0.000 1.305 94 W CB 0.573 30.000 29.460 -0.056 0.000 1.299 94 W HN 0.253 nan 8.180 nan 0.000 0.572 95 P HA 0.061 nan 4.420 nan 0.000 0.269 95 P C -1.164 175.760 177.300 -0.628 0.000 1.478 95 P CA 0.108 62.888 63.100 -0.533 0.000 1.045 95 P CB 0.048 31.388 31.700 -0.599 0.000 1.512 96 Y N 1.151 121.194 120.300 -0.428 0.000 2.369 96 Y HA 0.267 4.825 4.550 0.014 0.000 0.337 96 Y C 1.399 177.434 175.900 0.225 0.000 0.961 96 Y CA -0.818 57.192 58.100 -0.149 0.000 1.186 96 Y CB 0.686 38.935 38.460 -0.352 0.000 1.139 96 Y HN -0.155 nan 8.280 nan 0.000 0.494 97 T N 1.433 116.133 114.554 0.244 0.000 2.898 97 T HA 0.663 5.016 4.350 0.004 0.000 0.301 97 T C -0.172 174.602 174.700 0.123 0.000 1.049 97 T CA -0.438 61.759 62.100 0.162 0.000 1.095 97 T CB 0.788 69.710 68.868 0.089 0.000 0.976 97 T HN 0.451 nan 8.240 nan 0.000 0.539 98 I N 1.119 121.691 120.570 0.003 0.000 2.533 98 I HA 0.629 4.801 4.170 0.004 0.000 0.290 98 I C -0.048 175.821 176.117 -0.415 0.000 1.056 98 I CA -1.199 60.014 61.300 -0.145 0.000 1.057 98 I CB 1.917 39.839 38.000 -0.130 0.000 1.240 98 I HN 0.949 nan 8.210 nan 0.000 0.423 99 A N 5.371 127.925 122.820 -0.444 0.000 2.384 99 A HA 0.900 5.223 4.320 0.004 0.000 0.312 99 A C -1.413 175.800 177.584 -0.619 0.000 1.113 99 A CA -0.396 51.325 52.037 -0.528 0.000 0.779 99 A CB 1.006 19.910 19.000 -0.160 0.000 1.307 99 A HN 0.487 nan 8.150 nan 0.000 0.436 100 F N 0.840 120.814 119.950 0.040 0.000 2.366 100 F HA 0.469 4.997 4.527 0.002 0.000 0.366 100 F C 0.695 176.524 175.800 0.047 0.000 1.096 100 F CA -0.445 57.575 58.000 0.033 0.000 1.060 100 F CB 1.280 40.296 39.000 0.027 0.000 1.282 100 F HN 0.610 nan 8.300 nan 0.000 0.450 101 R N 1.940 122.543 120.500 0.171 0.000 2.242 101 R HA 0.373 4.716 4.340 0.004 0.000 0.334 101 R C 1.001 177.394 176.300 0.155 0.000 1.071 101 R CA 0.089 56.276 56.100 0.146 0.000 0.922 101 R CB 0.472 30.842 30.300 0.117 0.000 1.023 101 R HN 0.894 nan 8.270 nan 0.000 0.458 102 G N 3.095 111.994 108.800 0.165 0.000 2.670 102 G HA2 -0.102 3.860 3.960 0.004 0.000 0.215 102 G HA3 -0.102 3.860 3.960 0.004 0.000 0.215 102 G C 0.740 175.747 174.900 0.179 0.000 1.359 102 G CA 0.143 45.339 45.100 0.160 0.000 0.897 102 G HN 0.475 nan 8.290 nan 0.000 0.552 103 R N -0.003 120.634 120.500 0.229 0.000 2.572 103 R HA 0.242 4.584 4.340 0.004 0.000 0.370 103 R C 1.104 177.570 176.300 0.277 0.000 1.005 103 R CA 0.162 56.432 56.100 0.284 0.000 1.146 103 R CB 0.282 30.813 30.300 0.384 0.000 1.390 103 R HN 0.662 nan 8.270 nan 0.000 0.553 104 G N 1.509 110.434 108.800 0.208 0.000 2.305 104 G HA2 -0.305 3.658 3.960 0.004 0.000 0.287 104 G HA3 -0.305 3.658 3.960 0.004 0.000 0.287 104 G C 0.497 175.437 174.900 0.067 0.000 1.036 104 G CA 0.413 45.595 45.100 0.137 0.000 0.887 104 G HN 0.474 nan 8.290 nan 0.000 0.505 105 H N -0.058 119.071 119.070 0.098 0.000 2.543 105 H HA 0.172 4.731 4.556 0.004 0.000 0.269 105 H C 1.534 176.851 175.328 -0.018 0.000 1.005 105 H CA 0.787 56.834 56.048 -0.001 0.000 1.146 105 H CB 0.358 30.077 29.762 -0.071 0.000 1.353 105 H HN 0.449 nan 8.280 nan 0.000 0.595 106 S N 0.291 116.016 115.700 0.041 0.000 2.569 106 S HA 0.008 4.480 4.470 0.004 0.000 0.274 106 S C 1.663 176.233 174.600 -0.050 0.000 1.353 106 S CA -0.199 57.983 58.200 -0.030 0.000 1.023 106 S CB 0.870 63.999 63.200 -0.118 0.000 0.876 106 S HN 0.311 nan 8.310 nan 0.000 0.540 107 L N 0.836 122.017 121.223 -0.069 0.000 2.470 107 L HA 0.265 4.608 4.340 0.004 0.000 0.219 107 L C 0.741 177.545 176.870 -0.110 0.000 1.071 107 L CA 0.571 55.361 54.840 -0.083 0.000 0.850 107 L CB 0.039 42.065 42.059 -0.055 0.000 1.040 107 L HN 0.474 nan 8.230 nan 0.000 0.475 108 M N 0.163 119.684 119.600 -0.132 0.000 3.189 108 M HA 0.356 4.838 4.480 0.004 0.000 0.365 108 M C 0.725 176.908 176.300 -0.195 0.000 1.447 108 M CA -0.037 55.190 55.300 -0.122 0.000 0.739 108 M CB 0.319 32.867 32.600 -0.087 0.000 1.411 108 M HN 0.224 nan 8.290 nan 0.000 0.494 109 G N 0.988 109.508 108.800 -0.466 0.000 2.153 109 G HA2 -0.322 3.641 3.960 0.004 0.000 0.252 109 G HA3 -0.322 3.641 3.960 0.004 0.000 0.252 109 G C 0.702 175.199 174.900 -0.672 0.000 0.994 109 G CA 0.679 45.153 45.100 -1.043 0.000 0.698 109 G HN 0.491 nan 8.290 nan 0.000 0.521 110 Q N -0.419 119.156 119.800 -0.375 0.000 2.364 110 Q HA 0.343 4.685 4.340 0.004 0.000 0.209 110 Q C 2.568 178.477 176.000 -0.151 0.000 0.977 110 Q CA 1.762 57.466 55.803 -0.166 0.000 0.885 110 Q CB -0.041 28.659 28.738 -0.063 0.000 0.941 110 Q HN 0.986 nan 8.270 nan 0.000 0.464 111 A N -0.803 121.850 122.820 -0.278 0.000 2.465 111 A HA 0.246 4.568 4.320 0.004 0.000 0.255 111 A C -0.427 177.193 177.584 0.059 0.000 1.274 111 A CA -0.353 51.629 52.037 -0.093 0.000 0.920 111 A CB 0.241 19.224 19.000 -0.028 0.000 1.033 111 A HN 0.087 nan 8.150 nan 0.000 0.516 112 F N -0.482 119.473 119.950 0.008 0.000 2.380 112 F HA 0.635 5.165 4.527 0.005 0.000 0.321 112 F C 0.746 176.537 175.800 -0.016 0.000 1.103 112 F CA -1.688 56.310 58.000 -0.002 0.000 1.067 112 F CB 1.239 40.243 39.000 0.007 0.000 1.265 112 F HN 0.040 nan 8.300 nan 0.000 0.517 113 A N 2.145 125.082 122.820 0.195 0.000 3.082 113 A HA 0.575 4.897 4.320 0.004 0.000 0.328 113 A C -2.783 174.848 177.584 0.078 0.000 1.089 113 A CA -1.531 50.563 52.037 0.094 0.000 0.802 113 A CB -0.161 18.860 19.000 0.035 0.000 1.138 113 A HN 0.384 nan 8.150 nan 0.000 0.474 114 P HA 0.174 nan 4.420 nan 0.000 0.256 114 P C 1.219 178.549 177.300 0.050 0.000 1.173 114 P CA 2.194 65.324 63.100 0.050 0.000 0.768 114 P CB 0.527 32.266 31.700 0.064 0.000 0.758 115 G N 2.625 111.448 108.800 0.038 0.000 2.233 115 G HA2 -0.178 3.784 3.960 0.004 0.000 0.270 115 G HA3 -0.178 3.784 3.960 0.004 0.000 0.270 115 G C 0.608 175.590 174.900 0.136 0.000 1.011 115 G CA 0.180 45.319 45.100 0.065 0.000 0.762 115 G HN 0.832 nan 8.290 nan 0.000 0.511 116 G N -2.047 106.818 108.800 0.108 0.000 3.211 116 G HA2 0.709 4.672 3.960 0.004 0.000 0.167 116 G HA3 0.709 4.672 3.960 0.004 0.000 0.167 116 G C -0.775 174.140 174.900 0.025 0.000 1.212 116 G CA 0.065 45.257 45.100 0.153 0.000 0.928 116 G HN 0.885 nan 8.290 nan 0.000 0.607 117 V N 0.333 120.260 119.914 0.021 0.000 2.448 117 V HA 0.498 4.621 4.120 0.004 0.000 0.295 117 V C -0.502 175.566 176.094 -0.043 0.000 1.025 117 V CA -0.583 61.694 62.300 -0.037 0.000 0.859 117 V CB 1.495 33.304 31.823 -0.023 0.000 0.988 117 V HN 0.394 nan 8.190 nan 0.000 0.431 118 V N 5.861 125.741 119.914 -0.055 0.000 2.370 118 V HA 0.365 4.487 4.120 0.004 0.000 0.279 118 V C 0.007 176.052 176.094 -0.082 0.000 1.029 118 V CA -0.553 61.712 62.300 -0.059 0.000 0.870 118 V CB 1.923 33.731 31.823 -0.024 0.000 0.984 118 V HN 0.621 nan 8.190 nan 0.000 0.451 119 V N 5.236 125.126 119.914 -0.040 0.000 2.432 119 V HA 0.206 4.328 4.120 0.004 0.000 0.271 119 V C 0.819 176.910 176.094 -0.005 0.000 1.046 119 V CA -0.451 61.855 62.300 0.010 0.000 0.945 119 V CB 1.189 33.136 31.823 0.207 0.000 0.992 119 V HN 0.891 nan 8.190 nan 0.000 0.471 120 N N 5.989 124.609 118.700 -0.133 0.000 2.807 120 N HA 0.051 4.793 4.740 0.004 0.000 0.259 120 N C 1.228 176.756 175.510 0.031 0.000 1.149 120 N CA -0.489 52.505 53.050 -0.093 0.000 1.042 120 N CB 0.616 38.913 38.487 -0.316 0.000 1.367 120 N HN 0.566 nan 8.380 nan 0.000 0.516 121 M N 1.617 121.263 119.600 0.078 0.000 2.143 121 M HA -0.211 4.271 4.480 0.004 0.000 0.258 121 M C 2.097 178.439 176.300 0.071 0.000 1.071 121 M CA 1.179 56.527 55.300 0.080 0.000 1.088 121 M CB -1.527 31.126 32.600 0.089 0.000 1.360 121 M HN 0.561 nan 8.290 nan 0.000 0.404 122 A N -0.443 122.430 122.820 0.089 0.000 2.032 122 A HA -0.141 4.182 4.320 0.004 0.000 0.221 122 A C 2.424 180.063 177.584 0.092 0.000 1.165 122 A CA 2.028 54.117 52.037 0.087 0.000 0.645 122 A CB -0.801 18.265 19.000 0.110 0.000 0.807 122 A HN 0.532 nan 8.150 nan 0.000 0.453 123 S N -0.205 115.570 115.700 0.124 0.000 2.419 123 S HA -0.098 4.375 4.470 0.004 0.000 0.235 123 S C 1.608 176.259 174.600 0.085 0.000 1.019 123 S CA 1.238 59.520 58.200 0.137 0.000 0.982 123 S CB -0.425 62.900 63.200 0.209 0.000 0.789 123 S HN 0.582 nan 8.310 nan 0.000 0.490 124 L N 0.503 121.762 121.223 0.061 0.000 2.265 124 L HA -0.050 4.293 4.340 0.004 0.000 0.215 124 L C 2.106 178.988 176.870 0.020 0.000 1.117 124 L CA 0.968 55.828 54.840 0.033 0.000 0.782 124 L CB -0.431 41.635 42.059 0.012 0.000 0.914 124 L HN 0.398 nan 8.230 nan 0.000 0.441 125 G N -2.080 106.734 108.800 0.023 0.000 3.575 125 G HA2 -0.010 3.952 3.960 0.004 0.000 0.273 125 G HA3 -0.010 3.952 3.960 0.004 0.000 0.273 125 G C 0.683 175.594 174.900 0.018 0.000 1.053 125 G CA -0.257 44.849 45.100 0.011 0.000 0.803 125 G HN 0.146 nan 8.290 nan 0.000 0.528 126 D N 1.464 121.883 120.400 0.031 0.000 2.162 126 D HA 0.035 4.677 4.640 0.004 0.000 0.203 126 D C 1.867 178.178 176.300 0.020 0.000 0.967 126 D CA 0.495 54.513 54.000 0.030 0.000 0.840 126 D CB 0.151 40.975 40.800 0.041 0.000 0.972 126 D HN 0.290 nan 8.370 nan 0.000 0.482 127 A N 0.914 123.745 122.820 0.018 0.000 2.548 127 A HA 0.297 4.620 4.320 0.004 0.000 0.247 127 A C 1.415 179.003 177.584 0.007 0.000 1.067 127 A CA 0.518 52.562 52.037 0.013 0.000 0.757 127 A CB 0.404 19.412 19.000 0.013 0.000 0.996 127 A HN 0.174 nan 8.150 nan 0.000 0.504 128 A N 2.203 125.026 122.820 0.006 0.000 2.225 128 A HA 0.390 4.713 4.320 0.004 0.000 0.215 128 A C 1.098 178.682 177.584 -0.000 0.000 1.164 128 A CA 1.665 53.703 52.037 0.002 0.000 0.710 128 A CB -0.470 18.532 19.000 0.002 0.000 0.780 128 A HN 2.378 nan 8.150 nan 0.000 0.473 129 A N -0.670 122.151 122.820 0.001 0.000 2.594 129 A HA 0.593 4.916 4.320 0.004 0.000 0.296 129 A C -2.955 174.629 177.584 0.000 0.000 1.056 129 A CA -1.006 51.031 52.037 -0.001 0.000 0.693 129 A CB 0.471 19.470 19.000 -0.001 0.000 1.278 129 A HN 0.125 nan 8.150 nan 0.000 0.408 130 P HA 0.506 nan 4.420 nan 0.000 0.276 130 P C -2.637 174.659 177.300 -0.007 0.000 1.261 130 P CA -0.963 62.134 63.100 -0.004 0.000 0.800 130 P CB -0.201 31.497 31.700 -0.004 0.000 1.066 131 P HA 0.101 nan 4.420 nan 0.000 0.267 131 P C 0.367 177.656 177.300 -0.019 0.000 1.200 131 P CA -0.084 63.008 63.100 -0.014 0.000 0.772 131 P CB 0.820 32.512 31.700 -0.013 0.000 0.855 132 R N 1.367 121.851 120.500 -0.027 0.000 2.312 132 R HA 0.339 4.682 4.340 0.004 0.000 0.205 132 R C 0.439 176.708 176.300 -0.051 0.000 0.904 132 R CA 0.055 56.132 56.100 -0.038 0.000 1.052 132 R CB -0.013 30.261 30.300 -0.043 0.000 1.014 132 R HN 0.537 nan 8.270 nan 0.000 0.503 133 I N 1.791 122.335 120.570 -0.043 0.000 2.468 133 I HA 0.254 4.426 4.170 0.004 0.000 0.285 133 I C -0.873 175.231 176.117 -0.021 0.000 1.039 133 I CA -0.595 60.679 61.300 -0.044 0.000 1.074 133 I CB 1.860 39.828 38.000 -0.054 0.000 1.228 133 I HN -0.204 nan 8.210 nan 0.000 0.436 134 N N 5.913 124.610 118.700 -0.004 0.000 2.504 134 N HA 0.318 5.061 4.740 0.004 0.000 0.280 134 N C -0.735 174.789 175.510 0.023 0.000 1.052 134 N CA -0.400 52.655 53.050 0.008 0.000 0.887 134 N CB 2.967 41.464 38.487 0.017 0.000 1.323 134 N HN 0.156 nan 8.380 nan 0.000 0.509 135 V N 1.862 121.774 119.914 -0.004 0.000 2.508 135 V HA 0.085 4.208 4.120 0.004 0.000 0.281 135 V C 1.116 177.155 176.094 -0.092 0.000 1.041 135 V CA -0.532 61.748 62.300 -0.032 0.000 1.016 135 V CB 0.757 32.558 31.823 -0.036 0.000 0.984 135 V HN 0.759 nan 8.190 nan 0.000 0.478 136 S N 4.511 120.070 115.700 -0.234 0.000 2.566 136 S HA 0.229 4.702 4.470 0.004 0.000 0.280 136 S C 1.412 175.861 174.600 -0.252 0.000 1.343 136 S CA 0.039 58.006 58.200 -0.388 0.000 1.036 136 S CB 1.100 63.600 63.200 -1.168 0.000 0.866 136 S HN 1.105 nan 8.310 nan 0.000 0.526 137 A N 1.998 124.711 122.820 -0.178 0.000 1.940 137 A HA -0.133 4.190 4.320 0.004 0.000 0.219 137 A C 1.710 179.218 177.584 -0.126 0.000 1.176 137 A CA 1.727 53.695 52.037 -0.116 0.000 0.631 137 A CB -1.141 17.814 19.000 -0.075 0.000 0.814 137 A HN 1.016 nan 8.150 nan 0.000 0.446 138 D N -1.915 118.383 120.400 -0.170 0.000 2.349 138 D HA 0.258 4.901 4.640 0.004 0.000 0.224 138 D C 1.155 177.365 176.300 -0.150 0.000 1.029 138 D CA 0.821 54.738 54.000 -0.139 0.000 0.879 138 D CB -0.833 39.894 40.800 -0.122 0.000 0.906 138 D HN 0.796 nan 8.370 nan 0.000 0.528 139 G N 0.737 109.419 108.800 -0.198 0.000 2.198 139 G HA2 -0.348 3.615 3.960 0.004 0.000 0.260 139 G HA3 -0.348 3.615 3.960 0.004 0.000 0.260 139 G C 1.090 175.901 174.900 -0.148 0.000 1.025 139 G CA 0.286 45.292 45.100 -0.157 0.000 0.769 139 G HN 0.328 nan 8.290 nan 0.000 0.507 140 R N -1.280 119.082 120.500 -0.230 0.000 2.290 140 R HA 0.273 4.616 4.340 0.004 0.000 0.197 140 R C 0.776 177.077 176.300 0.000 0.000 0.913 140 R CA 1.410 57.447 56.100 -0.105 0.000 1.040 140 R CB 0.072 30.343 30.300 -0.049 0.000 0.992 140 R HN 0.911 nan 8.270 nan 0.000 0.500 141 Y N -4.374 115.915 120.300 -0.018 0.000 2.750 141 Y HA 0.598 5.151 4.550 0.004 0.000 0.335 141 Y C -1.458 174.430 175.900 -0.020 0.000 1.252 141 Y CA -1.739 56.348 58.100 -0.021 0.000 1.064 141 Y CB 0.976 39.423 38.460 -0.021 0.000 1.321 141 Y HN -0.296 nan 8.280 nan 0.000 0.451 142 V N 1.930 122.038 119.914 0.322 0.000 2.623 142 V HA 0.480 4.603 4.120 0.004 0.000 0.304 142 V C -1.569 174.616 176.094 0.151 0.000 1.054 142 V CA -0.494 61.919 62.300 0.187 0.000 0.882 142 V CB 1.668 33.532 31.823 0.068 0.000 1.002 142 V HN 0.861 nan 8.190 nan 0.000 0.424 143 D N 5.196 125.674 120.400 0.129 0.000 2.264 143 D HA 0.720 5.363 4.640 0.004 0.000 0.250 143 D C -0.097 176.184 176.300 -0.032 0.000 1.113 143 D CA 0.357 54.377 54.000 0.032 0.000 0.871 143 D CB 1.976 42.802 40.800 0.044 0.000 1.167 143 D HN 0.917 nan 8.370 nan 0.000 0.447 144 A N 1.526 124.294 122.820 -0.086 0.000 2.455 144 A HA 0.669 4.992 4.320 0.004 0.000 0.300 144 A C 0.274 177.776 177.584 -0.138 0.000 1.040 144 A CA -0.728 51.227 52.037 -0.137 0.000 0.697 144 A CB 1.573 20.429 19.000 -0.240 0.000 1.265 144 A HN 0.465 nan 8.150 nan 0.000 0.407 145 G N 0.256 108.983 108.800 -0.121 0.000 2.491 145 G HA2 0.411 4.374 3.960 0.004 0.000 0.242 145 G HA3 0.411 4.374 3.960 0.004 0.000 0.242 145 G C 1.087 175.907 174.900 -0.133 0.000 1.266 145 G CA 0.227 45.264 45.100 -0.105 0.000 0.844 145 G HN 1.491 nan 8.290 nan 0.000 0.571 146 G N 0.580 109.312 108.800 -0.113 0.000 2.479 146 G HA2 -0.165 3.797 3.960 0.004 0.000 0.220 146 G HA3 -0.165 3.797 3.960 0.004 0.000 0.220 146 G C 1.410 176.254 174.900 -0.093 0.000 1.115 146 G CA 1.193 46.226 45.100 -0.111 0.000 0.757 146 G HN 0.703 nan 8.290 nan 0.000 0.560 147 E N 0.365 120.521 120.200 -0.075 0.000 2.385 147 E HA 0.002 4.354 4.350 0.004 0.000 0.194 147 E C 0.582 177.145 176.600 -0.062 0.000 1.013 147 E CA 0.019 56.397 56.400 -0.037 0.000 0.866 147 E CB -0.299 29.397 29.700 -0.007 0.000 0.832 147 E HN 0.257 nan 8.360 nan 0.000 0.500 148 Q N 1.637 121.363 119.800 -0.123 0.000 2.361 148 Q HA 0.142 4.485 4.340 0.004 0.000 0.276 148 Q C 0.355 176.225 176.000 -0.216 0.000 1.022 148 Q CA 0.029 55.736 55.803 -0.159 0.000 0.898 148 Q CB 1.525 30.143 28.738 -0.199 0.000 1.246 148 Q HN 0.179 nan 8.270 nan 0.000 0.410 149 V N -0.876 118.937 119.914 -0.169 0.000 2.567 149 V HA 0.188 4.310 4.120 0.004 0.000 0.289 149 V C 0.735 176.716 176.094 -0.188 0.000 1.049 149 V CA -0.820 61.389 62.300 -0.152 0.000 0.969 149 V CB 0.676 32.422 31.823 -0.129 0.000 0.995 149 V HN 0.872 nan 8.190 nan 0.000 0.471 150 W N 2.116 123.376 121.300 -0.067 0.000 2.325 150 W HA -0.156 4.507 4.660 0.006 0.000 0.299 150 W C 2.079 178.571 176.519 -0.046 0.000 1.215 150 W CA 1.579 58.933 57.345 0.015 0.000 1.244 150 W CB -0.339 29.201 29.460 0.132 0.000 1.140 150 W HN 0.669 nan 8.180 nan 0.000 0.523 151 I N 0.746 121.268 120.570 -0.081 0.000 2.264 151 I HA -0.304 3.868 4.170 0.004 0.000 0.248 151 I C 1.710 177.721 176.117 -0.177 0.000 1.111 151 I CA 1.976 63.112 61.300 -0.274 0.000 1.382 151 I CB -0.572 36.977 38.000 -0.751 0.000 1.060 151 I HN -0.117 nan 8.210 nan 0.000 0.418 152 D N -0.371 119.928 120.400 -0.168 0.000 2.194 152 D HA -0.051 4.591 4.640 0.004 0.000 0.204 152 D C 2.413 178.679 176.300 -0.056 0.000 0.964 152 D CA 1.117 55.047 54.000 -0.116 0.000 0.846 152 D CB -0.154 40.572 40.800 -0.123 0.000 0.962 152 D HN 0.285 nan 8.370 nan 0.000 0.490 153 V N 1.405 121.295 119.914 -0.041 0.000 2.407 153 V HA -0.212 3.911 4.120 0.004 0.000 0.248 153 V C 2.447 178.615 176.094 0.123 0.000 1.055 153 V CA 1.021 63.318 62.300 -0.006 0.000 1.049 153 V CB -0.375 31.396 31.823 -0.086 0.000 0.662 153 V HN 0.138 nan 8.190 nan 0.000 0.455 154 L N 0.229 121.576 121.223 0.207 0.000 2.027 154 L HA -0.115 4.228 4.340 0.004 0.000 0.206 154 L C 2.557 179.473 176.870 0.076 0.000 1.074 154 L CA 1.890 56.864 54.840 0.223 0.000 0.745 154 L CB -0.629 41.475 42.059 0.075 0.000 0.898 154 L HN 0.148 nan 8.230 nan 0.000 0.433 155 R N -0.486 120.015 120.500 0.003 0.000 2.081 155 R HA -0.070 4.273 4.340 0.004 0.000 0.235 155 R C 2.241 178.542 176.300 0.002 0.000 1.131 155 R CA 1.287 57.376 56.100 -0.018 0.000 0.960 155 R CB -0.643 29.627 30.300 -0.051 0.000 0.856 155 R HN 0.530 nan 8.270 nan 0.000 0.436 156 A N 0.115 122.937 122.820 0.004 0.000 2.015 156 A HA -0.084 4.239 4.320 0.004 0.000 0.219 156 A C 2.070 179.666 177.584 0.020 0.000 1.163 156 A CA 1.418 53.456 52.037 0.003 0.000 0.646 156 A CB -0.148 18.845 19.000 -0.010 0.000 0.806 156 A HN 0.197 nan 8.150 nan 0.000 0.448 157 S N -0.262 115.468 115.700 0.051 0.000 2.388 157 S HA 0.057 4.529 4.470 0.004 0.000 0.223 157 S C 1.754 176.393 174.600 0.064 0.000 1.034 157 S CA 0.869 59.109 58.200 0.067 0.000 0.963 157 S CB -0.340 62.934 63.200 0.124 0.000 0.827 157 S HN 0.519 nan 8.310 nan 0.000 0.481 158 L N 1.403 122.669 121.223 0.073 0.000 2.131 158 L HA -0.116 4.227 4.340 0.004 0.000 0.210 158 L C 2.699 179.588 176.870 0.031 0.000 1.092 158 L CA 1.053 55.930 54.840 0.062 0.000 0.759 158 L CB -0.686 41.406 42.059 0.054 0.000 0.903 158 L HN 0.322 nan 8.230 nan 0.000 0.435 159 A N -0.492 122.339 122.820 0.019 0.000 2.019 159 A HA -0.142 4.181 4.320 0.004 0.000 0.219 159 A C 2.082 179.668 177.584 0.004 0.000 1.164 159 A CA 1.237 53.278 52.037 0.007 0.000 0.644 159 A CB -0.235 18.765 19.000 0.000 0.000 0.805 159 A HN 0.233 nan 8.150 nan 0.000 0.449 160 R N -1.219 119.285 120.500 0.007 0.000 2.466 160 R HA 0.198 4.541 4.340 0.004 0.000 0.279 160 R C 1.099 177.399 176.300 0.000 0.000 0.976 160 R CA 0.530 56.628 56.100 -0.003 0.000 1.081 160 R CB -0.571 29.722 30.300 -0.012 0.000 1.215 160 R HN 0.750 nan 8.270 nan 0.000 0.546 161 G N 0.909 109.716 108.800 0.012 0.000 2.153 161 G HA2 -0.300 3.663 3.960 0.004 0.000 0.252 161 G HA3 -0.300 3.663 3.960 0.004 0.000 0.252 161 G C 0.284 175.197 174.900 0.021 0.000 0.994 161 G CA 0.710 45.819 45.100 0.013 0.000 0.698 161 G HN 0.321 nan 8.290 nan 0.000 0.521 162 V N -4.197 115.740 119.914 0.038 0.000 3.156 162 V HA 1.079 5.202 4.120 0.004 0.000 0.311 162 V C 0.025 176.189 176.094 0.117 0.000 1.208 162 V CA -0.527 61.804 62.300 0.052 0.000 1.063 162 V CB 1.874 33.709 31.823 0.020 0.000 1.098 162 V HN 2.118 nan 8.190 nan 0.000 0.452 163 A N 0.649 123.554 122.820 0.142 0.000 2.594 163 A HA 0.857 5.180 4.320 0.004 0.000 0.296 163 A C -3.348 174.340 177.584 0.173 0.000 1.056 163 A CA -1.212 50.983 52.037 0.263 0.000 0.693 163 A CB 1.157 20.441 19.000 0.474 0.000 1.278 163 A HN 0.721 nan 8.150 nan 0.000 0.408 164 P HA 0.157 nan 4.420 nan 0.000 0.269 164 P C 0.431 177.526 177.300 -0.341 0.000 1.211 164 P CA 0.152 63.074 63.100 -0.295 0.000 0.781 164 P CB 0.454 31.716 31.700 -0.730 0.000 0.877 165 R N -0.297 119.938 120.500 -0.440 0.000 2.237 165 R HA 0.182 4.525 4.340 0.004 0.000 0.195 165 R C 0.616 176.634 176.300 -0.470 0.000 0.956 165 R CA 0.476 56.298 56.100 -0.462 0.000 1.029 165 R CB 0.234 30.095 30.300 -0.732 0.000 0.972 165 R HN 0.341 nan 8.270 nan 0.000 0.493 166 S N -0.069 115.252 115.700 -0.631 0.000 2.502 166 S HA 0.474 4.947 4.470 0.004 0.000 0.304 166 S C -1.573 172.563 174.600 -0.774 0.000 1.097 166 S CA -0.826 57.092 58.200 -0.469 0.000 1.045 166 S CB 0.691 63.692 63.200 -0.332 0.000 1.019 166 S HN 0.191 nan 8.310 nan 0.000 0.481 167 W N 1.137 122.317 121.300 -0.200 0.000 3.349 167 W HA 0.626 5.288 4.660 0.003 0.000 0.325 167 W C 0.116 176.500 176.519 -0.224 0.000 1.198 167 W CA -0.682 56.477 57.345 -0.309 0.000 0.985 167 W CB 0.524 29.870 29.460 -0.190 0.000 1.556 167 W HN 0.634 nan 8.180 nan 0.000 0.610 168 T N -2.474 112.134 114.554 0.090 0.000 2.924 168 T HA 0.267 4.620 4.350 0.004 0.000 0.291 168 T C 0.117 174.897 174.700 0.134 0.000 1.045 168 T CA -0.633 61.526 62.100 0.099 0.000 1.015 168 T CB 1.760 70.660 68.868 0.052 0.000 1.103 168 T HN 0.291 nan 8.240 nan 0.000 0.496 169 D N -0.493 120.007 120.400 0.166 0.000 2.178 169 D HA -0.033 4.610 4.640 0.004 0.000 0.201 169 D C -0.041 176.335 176.300 0.128 0.000 0.980 169 D CA 1.567 55.644 54.000 0.129 0.000 0.842 169 D CB -0.099 40.798 40.800 0.162 0.000 0.948 169 D HN 0.601 nan 8.370 nan 0.000 0.472 170 Y N 0.507 120.826 120.300 0.032 0.000 2.341 170 Y HA 0.292 4.844 4.550 0.003 0.000 0.338 170 Y C 0.585 176.527 175.900 0.071 0.000 0.965 170 Y CA -0.683 57.449 58.100 0.052 0.000 1.108 170 Y CB 0.996 39.493 38.460 0.062 0.000 1.180 170 Y HN -0.278 nan 8.280 nan 0.000 0.458 171 L N 5.622 126.700 121.223 -0.241 0.000 2.558 171 L HA 0.042 4.384 4.340 0.004 0.000 0.225 171 L C -0.157 176.551 176.870 -0.270 0.000 1.128 171 L CA 0.211 54.947 54.840 -0.172 0.000 0.868 171 L CB -0.161 41.766 42.059 -0.219 0.000 1.006 171 L HN 0.643 nan 8.230 nan 0.000 0.454 172 Y N 1.808 121.659 120.300 -0.748 0.000 2.903 172 Y HA 0.405 4.956 4.550 0.003 0.000 0.387 172 Y C 0.085 175.946 175.900 -0.065 0.000 1.189 172 Y CA -0.146 57.724 58.100 -0.384 0.000 1.856 172 Y CB -0.456 37.766 38.460 -0.396 0.000 1.917 172 Y HN 0.006 nan 8.280 nan 0.000 0.448 173 L N -0.238 121.079 121.223 0.158 0.000 2.350 173 L HA 0.594 4.937 4.340 0.004 0.000 0.260 173 L C 0.300 177.349 176.870 0.298 0.000 1.015 173 L CA -1.266 53.737 54.840 0.272 0.000 0.821 173 L CB 2.344 44.586 42.059 0.306 0.000 1.370 173 L HN 0.132 nan 8.230 nan 0.000 0.416 174 T N -2.215 112.479 114.554 0.234 0.000 2.899 174 T HA 0.317 4.670 4.350 0.004 0.000 0.284 174 T C 1.079 175.830 174.700 0.085 0.000 1.004 174 T CA -0.744 61.407 62.100 0.084 0.000 1.043 174 T CB 1.710 70.621 68.868 0.072 0.000 1.013 174 T HN 0.239 nan 8.240 nan 0.000 0.518 175 V N 2.341 122.106 119.914 -0.247 0.000 2.295 175 V HA -0.015 4.107 4.120 0.004 0.000 0.246 175 V C 2.879 179.010 176.094 0.063 0.000 1.049 175 V CA 2.445 64.578 62.300 -0.280 0.000 1.024 175 V CB -1.442 30.059 31.823 -0.537 0.000 0.648 175 V HN 1.125 nan 8.190 nan 0.000 0.447 176 G N -0.377 108.430 108.800 0.012 0.000 2.422 176 G HA2 -0.112 3.851 3.960 0.004 0.000 0.218 176 G HA3 -0.112 3.851 3.960 0.004 0.000 0.218 176 G C 1.577 176.554 174.900 0.130 0.000 1.140 176 G CA 0.910 46.040 45.100 0.050 0.000 0.775 176 G HN 0.589 nan 8.290 nan 0.000 0.545 177 G N 0.665 109.566 108.800 0.167 0.000 2.404 177 G HA2 -0.148 3.814 3.960 0.004 0.000 0.215 177 G HA3 -0.148 3.814 3.960 0.004 0.000 0.215 177 G C 2.020 177.064 174.900 0.239 0.000 1.174 177 G CA 2.147 47.368 45.100 0.202 0.000 0.780 177 G HN 0.549 nan 8.290 nan 0.000 0.537 178 T N -0.277 114.467 114.554 0.317 0.000 2.904 178 T HA 0.081 4.433 4.350 0.004 0.000 0.267 178 T C 2.413 177.279 174.700 0.277 0.000 1.059 178 T CA 0.810 63.097 62.100 0.313 0.000 1.137 178 T CB -0.278 68.796 68.868 0.344 0.000 0.879 178 T HN 0.158 nan 8.240 nan 0.000 0.467 179 L N 1.046 122.429 121.223 0.267 0.000 2.275 179 L HA 0.032 4.374 4.340 0.004 0.000 0.215 179 L C 2.795 179.772 176.870 0.178 0.000 1.119 179 L CA 0.822 55.775 54.840 0.189 0.000 0.790 179 L CB -0.467 41.676 42.059 0.139 0.000 0.919 179 L HN 0.309 nan 8.230 nan 0.000 0.443 180 S N -0.586 115.233 115.700 0.198 0.000 2.522 180 S HA -0.013 4.460 4.470 0.004 0.000 0.227 180 S C 1.447 176.210 174.600 0.272 0.000 0.986 180 S CA 0.507 58.837 58.200 0.216 0.000 0.929 180 S CB -0.036 63.282 63.200 0.198 0.000 0.769 180 S HN 0.471 nan 8.310 nan 0.000 0.529 181 N N 0.176 119.053 118.700 0.294 0.000 2.638 181 N HA 0.360 5.102 4.740 0.004 0.000 0.220 181 N C 1.132 176.969 175.510 0.544 0.000 1.031 181 N CA 1.093 54.378 53.050 0.392 0.000 1.062 181 N CB 0.393 39.048 38.487 0.280 0.000 1.406 181 N HN 0.337 nan 8.380 nan 0.000 0.495 182 A N -0.795 122.311 122.820 0.476 0.000 3.134 182 A HA 0.386 4.709 4.320 0.004 0.000 0.200 182 A C 0.180 177.888 177.584 0.206 0.000 1.506 182 A CA 0.793 53.046 52.037 0.360 0.000 1.391 182 A CB -0.456 18.853 19.000 0.515 0.000 1.156 182 A HN 0.562 nan 8.150 nan 0.000 0.432 183 G N 0.634 109.623 108.800 0.315 0.000 2.940 183 G HA2 0.235 4.197 3.960 0.004 0.000 0.273 183 G HA3 0.235 4.197 3.960 0.004 0.000 0.273 183 G C -0.321 174.642 174.900 0.104 0.000 1.030 183 G CA 0.268 45.459 45.100 0.153 0.000 1.066 183 G HN 2.017 nan 8.290 nan 0.000 0.466 184 I N -1.322 119.386 120.570 0.229 0.000 2.689 184 I HA 0.980 5.153 4.170 0.004 0.000 0.299 184 I C -0.084 176.200 176.117 0.280 0.000 1.059 184 I CA -0.864 60.584 61.300 0.248 0.000 1.055 184 I CB 2.423 40.654 38.000 0.385 0.000 1.243 184 I HN 0.586 nan 8.210 nan 0.000 0.425 185 S N 2.184 118.034 115.700 0.251 0.000 2.755 185 S HA 0.544 5.017 4.470 0.004 0.000 0.286 185 S C 0.675 175.248 174.600 -0.045 0.000 1.207 185 S CA 0.003 58.311 58.200 0.180 0.000 0.892 185 S CB 0.827 64.165 63.200 0.229 0.000 1.240 185 S HN 1.055 nan 8.310 nan 0.000 0.525 186 G N 0.211 108.815 108.800 -0.327 0.000 2.708 186 G HA2 -0.001 3.962 3.960 0.004 0.000 0.210 186 G HA3 -0.001 3.962 3.960 0.004 0.000 0.210 186 G C 0.645 175.501 174.900 -0.073 0.000 1.141 186 G CA 0.699 45.349 45.100 -0.750 0.000 0.788 186 G HN 0.545 nan 8.290 nan 0.000 0.531 187 Q N -0.113 119.754 119.800 0.111 0.000 2.396 187 Q HA 0.432 4.775 4.340 0.004 0.000 0.209 187 Q C 2.550 178.464 176.000 -0.144 0.000 0.906 187 Q CA 0.595 56.433 55.803 0.058 0.000 0.927 187 Q CB 0.119 28.973 28.738 0.195 0.000 1.069 187 Q HN 0.315 nan 8.270 nan 0.000 0.523 188 A N 0.883 123.689 122.820 -0.023 0.000 2.024 188 A HA -0.196 4.127 4.320 0.004 0.000 0.220 188 A C 1.804 179.305 177.584 -0.138 0.000 1.164 188 A CA 1.425 53.422 52.037 -0.066 0.000 0.643 188 A CB -0.963 18.090 19.000 0.088 0.000 0.806 188 A HN 0.598 nan 8.150 nan 0.000 0.451 189 F N 1.130 120.981 119.950 -0.164 0.000 2.216 189 F HA -0.126 4.403 4.527 0.004 0.000 0.300 189 F C 1.954 177.411 175.800 -0.571 0.000 1.085 189 F CA 1.376 59.217 58.000 -0.265 0.000 1.326 189 F CB -0.284 38.576 39.000 -0.233 0.000 1.027 189 F HN 0.317 nan 8.300 nan 0.000 0.497 190 R N -1.410 118.091 120.500 -1.664 0.000 2.373 190 R HA 0.185 4.528 4.340 0.004 0.000 0.221 190 R C 0.804 176.369 176.300 -1.224 0.000 0.893 190 R CA 0.378 55.344 56.100 -1.891 0.000 1.049 190 R CB -0.534 28.476 30.300 -2.150 0.000 1.119 190 R HN 0.342 nan 8.270 nan 0.000 0.535 191 H N 0.378 119.095 119.070 -0.588 0.000 3.058 191 H HA 0.292 4.851 4.556 0.004 0.000 0.266 191 H C 0.614 175.753 175.328 -0.315 0.000 1.135 191 H CA 0.619 56.452 56.048 -0.359 0.000 1.174 191 H CB 1.429 31.014 29.762 -0.295 0.000 1.581 191 H HN 0.428 nan 8.280 nan 0.000 0.553 192 G N 2.470 111.107 108.800 -0.272 0.000 2.829 192 G HA2 -0.202 3.760 3.960 0.004 0.000 0.628 192 G HA3 -0.202 3.760 3.960 0.004 0.000 0.628 192 G C -2.662 171.995 174.900 -0.405 0.000 1.412 192 G CA -0.585 44.289 45.100 -0.378 0.000 0.864 192 G HN 0.068 nan 8.290 nan 0.000 0.544 193 P HA 0.119 nan 4.420 nan 0.000 0.274 193 P C 0.751 177.845 177.300 -0.343 0.000 1.260 193 P CA 0.082 62.882 63.100 -0.502 0.000 0.793 193 P CB 0.440 31.620 31.700 -0.867 0.000 1.048 194 Q N -0.036 119.617 119.800 -0.246 0.000 2.181 194 Q HA -0.130 4.212 4.340 0.004 0.000 0.205 194 Q C 1.896 177.822 176.000 -0.123 0.000 0.980 194 Q CA 1.478 57.158 55.803 -0.206 0.000 0.862 194 Q CB -0.672 27.935 28.738 -0.218 0.000 0.905 194 Q HN 0.550 nan 8.270 nan 0.000 0.429 195 I N -2.803 117.688 120.570 -0.132 0.000 2.916 195 I HA -0.061 4.111 4.170 0.004 0.000 0.267 195 I C 1.352 177.389 176.117 -0.134 0.000 1.263 195 I CA 0.803 62.040 61.300 -0.106 0.000 1.471 195 I CB 0.027 37.986 38.000 -0.069 0.000 1.089 195 I HN -0.131 nan 8.210 nan 0.000 0.468 196 S N 0.972 116.560 115.700 -0.186 0.000 2.556 196 S HA 0.194 4.666 4.470 0.004 0.000 0.216 196 S C 0.793 175.344 174.600 -0.081 0.000 0.970 196 S CA -0.153 57.961 58.200 -0.143 0.000 0.912 196 S CB -0.249 62.812 63.200 -0.233 0.000 0.790 196 S HN 0.531 nan 8.310 nan 0.000 0.504 197 N N 1.597 120.250 118.700 -0.078 0.000 2.541 197 N HA 0.214 4.957 4.740 0.004 0.000 0.297 197 N C -1.187 174.324 175.510 0.001 0.000 1.503 197 N CA 0.150 53.168 53.050 -0.054 0.000 0.919 197 N CB 1.596 40.011 38.487 -0.121 0.000 1.305 197 N HN 0.052 nan 8.380 nan 0.000 0.501 198 V N 1.719 121.665 119.914 0.053 0.000 2.444 198 V HA 0.262 4.385 4.120 0.004 0.000 0.294 198 V C 0.998 177.211 176.094 0.198 0.000 1.022 198 V CA -0.494 61.871 62.300 0.109 0.000 0.850 198 V CB 2.143 34.025 31.823 0.098 0.000 0.992 198 V HN 0.075 nan 8.190 nan 0.000 0.426 199 L N 3.214 124.477 121.223 0.065 0.000 2.162 199 L HA 0.248 4.591 4.340 0.004 0.000 0.205 199 L C 0.953 177.754 176.870 -0.114 0.000 1.086 199 L CA 1.189 56.005 54.840 -0.040 0.000 0.778 199 L CB -0.297 41.665 42.059 -0.162 0.000 0.928 199 L HN 0.947 nan 8.230 nan 0.000 0.446 200 E N -2.341 117.853 120.200 -0.011 0.000 2.422 200 E HA 0.575 4.927 4.350 0.004 0.000 0.280 200 E C -1.229 175.431 176.600 0.100 0.000 1.091 200 E CA -0.732 55.656 56.400 -0.020 0.000 0.849 200 E CB 1.269 30.863 29.700 -0.178 0.000 1.353 200 E HN -0.103 nan 8.360 nan 0.000 0.449 201 M N 0.593 120.261 119.600 0.113 0.000 2.622 201 M HA 0.413 4.895 4.480 0.004 0.000 0.276 201 M C -1.827 174.476 176.300 0.005 0.000 1.265 201 M CA -0.992 54.342 55.300 0.057 0.000 0.850 201 M CB 2.516 35.165 32.600 0.083 0.000 1.720 201 M HN 0.434 nan 8.290 nan 0.000 0.465 202 D N 1.661 122.044 120.400 -0.028 0.000 2.256 202 D HA 0.610 5.252 4.640 0.004 0.000 0.240 202 D C -1.247 175.018 176.300 -0.059 0.000 1.062 202 D CA -0.063 53.911 54.000 -0.043 0.000 0.832 202 D CB 2.145 42.915 40.800 -0.050 0.000 1.135 202 D HN 0.175 nan 8.370 nan 0.000 0.484 203 V N 3.063 122.940 119.914 -0.062 0.000 2.789 203 V HA 0.465 4.588 4.120 0.004 0.000 0.311 203 V C 0.022 176.068 176.094 -0.079 0.000 1.073 203 V CA -0.808 61.439 62.300 -0.088 0.000 0.921 203 V CB 2.385 34.150 31.823 -0.097 0.000 1.009 203 V HN 0.382 nan 8.190 nan 0.000 0.426 204 I N 3.717 124.227 120.570 -0.099 0.000 2.359 204 I HA 0.313 4.485 4.170 0.004 0.000 0.284 204 I C 0.913 177.006 176.117 -0.040 0.000 1.018 204 I CA -0.279 60.983 61.300 -0.063 0.000 1.173 204 I CB 1.794 39.749 38.000 -0.075 0.000 1.326 204 I HN 0.824 nan 8.210 nan 0.000 0.462 205 T N 1.655 116.215 114.554 0.009 0.000 2.701 205 T HA 0.097 4.449 4.350 0.004 0.000 0.303 205 T C 1.491 176.211 174.700 0.032 0.000 1.030 205 T CA -0.005 62.128 62.100 0.055 0.000 1.010 205 T CB 1.049 70.022 68.868 0.174 0.000 1.007 205 T HN 0.698 nan 8.240 nan 0.000 0.532 206 G N -1.106 107.684 108.800 -0.016 0.000 2.625 206 G HA2 -0.113 3.850 3.960 0.004 0.000 0.214 206 G HA3 -0.113 3.850 3.960 0.004 0.000 0.214 206 G C 1.247 176.032 174.900 -0.192 0.000 1.132 206 G CA 0.156 45.185 45.100 -0.119 0.000 0.782 206 G HN 0.890 nan 8.290 nan 0.000 0.538 207 H N -0.188 118.878 119.070 -0.008 0.000 2.553 207 H HA 0.158 4.716 4.556 0.004 0.000 0.265 207 H C 2.230 177.528 175.328 -0.050 0.000 0.964 207 H CA 0.528 56.553 56.048 -0.038 0.000 1.156 207 H CB 0.435 30.186 29.762 -0.017 0.000 1.411 207 H HN 0.408 nan 8.280 nan 0.000 0.558 208 G N 1.363 110.195 108.800 0.053 0.000 2.157 208 G HA2 -0.279 3.683 3.960 0.004 0.000 0.248 208 G HA3 -0.279 3.683 3.960 0.004 0.000 0.248 208 G C 0.258 175.172 174.900 0.022 0.000 0.979 208 G CA 0.390 45.496 45.100 0.010 0.000 0.650 208 G HN 0.507 nan 8.290 nan 0.000 0.529 209 E N 0.057 120.290 120.200 0.055 0.000 2.259 209 E HA 0.552 4.905 4.350 0.004 0.000 0.281 209 E C 0.505 177.115 176.600 0.018 0.000 1.027 209 E CA -0.903 55.519 56.400 0.036 0.000 0.838 209 E CB 0.386 30.119 29.700 0.055 0.000 1.066 209 E HN 0.228 nan 8.360 nan 0.000 0.401 210 M N 5.344 124.944 119.600 0.001 0.000 2.146 210 M HA 0.229 4.711 4.480 0.004 0.000 0.352 210 M C -1.859 174.434 176.300 -0.012 0.000 1.343 210 M CA -0.305 54.987 55.300 -0.013 0.000 1.115 210 M CB 0.854 33.443 32.600 -0.017 0.000 1.657 210 M HN 0.257 nan 8.290 nan 0.000 0.471 211 V N 4.387 124.289 119.914 -0.020 0.000 2.638 211 V HA 0.530 4.653 4.120 0.004 0.000 0.306 211 V C -0.261 175.815 176.094 -0.030 0.000 1.052 211 V CA -0.792 61.496 62.300 -0.019 0.000 0.885 211 V CB 2.207 34.024 31.823 -0.009 0.000 0.999 211 V HN 0.826 nan 8.190 nan 0.000 0.424 212 T N 4.086 118.621 114.554 -0.032 0.000 2.799 212 T HA 0.568 4.920 4.350 0.004 0.000 0.286 212 T C -0.188 174.485 174.700 -0.044 0.000 0.973 212 T CA -0.282 61.794 62.100 -0.039 0.000 1.035 212 T CB 0.633 69.471 68.868 -0.049 0.000 0.932 212 T HN 1.028 nan 8.240 nan 0.000 0.469 213 C N 1.781 121.064 119.300 -0.029 0.000 3.080 213 C HA 1.017 5.480 4.460 0.004 0.000 0.307 213 C C 0.012 174.882 174.990 -0.200 0.000 1.311 213 C CA -0.901 58.089 59.018 -0.047 0.000 1.533 213 C CB 1.028 28.801 27.740 0.054 0.000 1.970 213 C HN 1.005 nan 8.230 nan 0.000 0.467 214 S N -0.006 115.386 115.700 -0.513 0.000 2.694 214 S HA 0.462 4.935 4.470 0.004 0.000 0.273 214 S C 0.045 174.060 174.600 -0.974 0.000 1.180 214 S CA -0.604 56.861 58.200 -1.225 0.000 0.864 214 S CB 0.747 63.559 63.200 -0.647 0.000 1.198 214 S HN 0.730 nan 8.310 nan 0.000 0.499 215 K N 0.122 120.026 120.400 -0.827 0.000 2.283 215 K HA 0.085 4.407 4.320 0.004 0.000 0.202 215 K C 1.099 177.580 176.600 -0.198 0.000 1.048 215 K CA 1.353 57.438 56.287 -0.337 0.000 0.948 215 K CB -0.412 31.977 32.500 -0.185 0.000 0.742 215 K HN 0.531 nan 8.250 nan 0.000 0.458 216 Q N -0.649 119.019 119.800 -0.220 0.000 2.247 216 Q HA 0.186 4.528 4.340 0.004 0.000 0.211 216 Q C -0.704 175.225 176.000 -0.118 0.000 0.861 216 Q CA -0.002 55.720 55.803 -0.135 0.000 0.949 216 Q CB 0.730 29.398 28.738 -0.116 0.000 1.115 216 Q HN -0.015 nan 8.270 nan 0.000 0.507 217 L N 0.453 121.587 121.223 -0.149 0.000 2.482 217 L HA 0.391 4.733 4.340 0.004 0.000 0.269 217 L C -1.163 175.657 176.870 -0.084 0.000 0.967 217 L CA -0.019 54.758 54.840 -0.104 0.000 0.851 217 L CB 0.996 42.991 42.059 -0.107 0.000 1.242 217 L HN 0.258 nan 8.230 nan 0.000 0.404 218 N N 2.994 121.670 118.700 -0.039 0.000 2.725 218 N HA -0.255 4.488 4.740 0.004 0.000 0.251 218 N C 1.219 176.736 175.510 0.013 0.000 1.031 218 N CA 0.688 53.737 53.050 -0.002 0.000 0.720 218 N CB -0.474 38.013 38.487 -0.001 0.000 0.930 218 N HN 0.818 nan 8.380 nan 0.000 0.543 219 A N 0.415 123.237 122.820 0.004 0.000 1.986 219 A HA -0.273 4.049 4.320 0.004 0.000 0.220 219 A C 1.910 179.550 177.584 0.092 0.000 1.171 219 A CA 2.237 54.303 52.037 0.049 0.000 0.640 219 A CB -0.413 18.600 19.000 0.021 0.000 0.811 219 A HN 0.715 nan 8.150 nan 0.000 0.451 220 D N -0.072 120.365 120.400 0.061 0.000 2.116 220 D HA -0.206 4.436 4.640 0.004 0.000 0.193 220 D C 1.626 177.922 176.300 -0.007 0.000 0.998 220 D CA 1.432 55.468 54.000 0.060 0.000 0.836 220 D CB -0.551 40.317 40.800 0.113 0.000 0.951 220 D HN 0.365 nan 8.370 nan 0.000 0.449 221 L N -1.066 120.112 121.223 -0.074 0.000 2.072 221 L HA 0.060 4.402 4.340 0.004 0.000 0.205 221 L C 2.047 178.796 176.870 -0.201 0.000 1.079 221 L CA 1.214 55.807 54.840 -0.412 0.000 0.752 221 L CB -0.765 41.014 42.059 -0.466 0.000 0.906 221 L HN 0.051 nan 8.230 nan 0.000 0.436 222 F N 0.867 120.710 119.950 -0.178 0.000 2.043 222 F HA -0.297 4.232 4.527 0.004 0.000 0.297 222 F C 2.249 178.003 175.800 -0.078 0.000 1.121 222 F CA 2.301 60.235 58.000 -0.111 0.000 1.199 222 F CB -0.523 38.432 39.000 -0.075 0.000 0.968 222 F HN 0.232 nan 8.300 nan 0.000 0.478 223 D N 0.282 120.691 120.400 0.014 0.000 2.117 223 D HA -0.158 4.484 4.640 0.004 0.000 0.197 223 D C 2.377 178.621 176.300 -0.093 0.000 0.987 223 D CA 1.501 55.472 54.000 -0.048 0.000 0.829 223 D CB -0.786 40.043 40.800 0.048 0.000 0.961 223 D HN 0.396 nan 8.370 nan 0.000 0.460 224 A N 0.787 123.485 122.820 -0.204 0.000 1.877 224 A HA -0.143 4.180 4.320 0.004 0.000 0.216 224 A C 2.573 180.078 177.584 -0.133 0.000 1.186 224 A CA 1.337 53.128 52.037 -0.409 0.000 0.620 224 A CB -0.788 17.607 19.000 -1.009 0.000 0.822 224 A HN 0.148 nan 8.150 nan 0.000 0.443 225 V N 0.305 120.155 119.914 -0.106 0.000 2.358 225 V HA -0.112 4.011 4.120 0.004 0.000 0.246 225 V C 1.234 177.381 176.094 0.089 0.000 1.047 225 V CA 0.827 63.179 62.300 0.087 0.000 1.035 225 V CB -0.826 30.970 31.823 -0.045 0.000 0.658 225 V HN 0.467 nan 8.190 nan 0.000 0.452 226 L N 1.405 122.595 121.223 -0.055 0.000 2.530 226 L HA 0.357 4.699 4.340 0.004 0.000 0.273 226 L C 1.362 178.323 176.870 0.152 0.000 1.141 226 L CA 0.809 55.628 54.840 -0.034 0.000 0.905 226 L CB -0.358 41.565 42.059 -0.227 0.000 1.202 226 L HN 0.477 nan 8.230 nan 0.000 0.473 227 G N 2.632 111.575 108.800 0.237 0.000 2.148 227 G HA2 -0.264 3.698 3.960 0.004 0.000 0.254 227 G HA3 -0.264 3.698 3.960 0.004 0.000 0.254 227 G C 0.853 176.038 174.900 0.475 0.000 0.981 227 G CA 0.168 45.489 45.100 0.367 0.000 0.670 227 G HN 0.875 nan 8.290 nan 0.000 0.528 228 G N -0.055 109.019 108.800 0.455 0.000 2.848 228 G HA2 0.365 4.328 3.960 0.004 0.000 0.208 228 G HA3 0.365 4.328 3.960 0.004 0.000 0.208 228 G C 1.145 176.318 174.900 0.454 0.000 1.152 228 G CA 0.562 46.044 45.100 0.637 0.000 0.789 228 G HN 1.452 nan 8.290 nan 0.000 0.531 229 L N -0.984 120.450 121.223 0.352 0.000 3.737 229 L HA -0.235 4.108 4.340 0.004 0.000 0.418 229 L C 1.599 178.567 176.870 0.164 0.000 1.216 229 L CA 0.195 55.186 54.840 0.252 0.000 0.915 229 L CB -1.940 40.276 42.059 0.261 0.000 1.834 229 L HN 0.554 nan 8.230 nan 0.000 0.943 230 G N -0.685 108.216 108.800 0.168 0.000 2.283 230 G HA2 -0.322 3.641 3.960 0.004 0.000 0.280 230 G HA3 -0.322 3.641 3.960 0.004 0.000 0.280 230 G C 0.797 175.727 174.900 0.050 0.000 1.029 230 G CA 0.743 45.948 45.100 0.175 0.000 0.840 230 G HN 0.557 nan 8.290 nan 0.000 0.505 231 Q N -1.533 118.136 119.800 -0.219 0.000 2.402 231 Q HA 0.231 4.573 4.340 0.004 0.000 0.206 231 Q C 1.819 177.396 176.000 -0.704 0.000 0.919 231 Q CA 0.821 56.304 55.803 -0.533 0.000 0.923 231 Q CB 0.073 28.313 28.738 -0.830 0.000 1.048 231 Q HN 0.700 nan 8.270 nan 0.000 0.515 232 F N -0.571 119.371 119.950 -0.014 0.000 2.717 232 F HA 0.457 4.987 4.527 0.005 0.000 0.297 232 F C 1.196 176.973 175.800 -0.040 0.000 1.113 232 F CA 0.299 58.266 58.000 -0.055 0.000 1.319 232 F CB 0.829 39.743 39.000 -0.144 0.000 1.097 232 F HN -0.039 nan 8.300 nan 0.000 0.595 233 G N -0.349 108.525 108.800 0.122 0.000 2.320 233 G HA2 0.346 4.308 3.960 0.004 0.000 0.297 233 G HA3 0.346 4.308 3.960 0.004 0.000 0.297 233 G C -2.178 172.652 174.900 -0.117 0.000 1.344 233 G CA -0.662 44.463 45.100 0.043 0.000 0.851 233 G HN -0.084 nan 8.290 nan 0.000 0.567 234 V N 0.599 120.264 119.914 -0.415 0.000 2.472 234 V HA 0.700 4.822 4.120 0.004 0.000 0.290 234 V C 0.138 176.002 176.094 -0.384 0.000 1.037 234 V CA -0.961 60.862 62.300 -0.794 0.000 0.908 234 V CB 1.069 32.011 31.823 -1.467 0.000 0.985 234 V HN 0.612 nan 8.190 nan 0.000 0.454 235 I N 6.556 126.954 120.570 -0.286 0.000 2.337 235 I HA 0.234 4.407 4.170 0.004 0.000 0.291 235 I C 1.411 177.433 176.117 -0.159 0.000 1.046 235 I CA 0.194 61.397 61.300 -0.163 0.000 1.324 235 I CB 1.562 39.505 38.000 -0.096 0.000 1.409 235 I HN 0.874 nan 8.210 nan 0.000 0.494 236 T N 2.716 117.192 114.554 -0.130 0.000 3.015 236 T HA 0.173 4.525 4.350 0.004 0.000 0.250 236 T C 0.735 175.383 174.700 -0.086 0.000 1.057 236 T CA -0.086 61.949 62.100 -0.107 0.000 1.066 236 T CB 0.316 69.128 68.868 -0.092 0.000 0.959 236 T HN 0.557 nan 8.240 nan 0.000 0.488 237 R N 0.192 120.644 120.500 -0.080 0.000 2.566 237 R HA 0.656 4.998 4.340 0.004 0.000 0.271 237 R C -2.270 173.991 176.300 -0.065 0.000 1.071 237 R CA -0.552 55.504 56.100 -0.074 0.000 0.915 237 R CB 1.857 32.120 30.300 -0.061 0.000 1.228 237 R HN 0.246 nan 8.270 nan 0.000 0.449 238 A N 3.742 126.516 122.820 -0.076 0.000 2.359 238 A HA 0.520 4.843 4.320 0.004 0.000 0.303 238 A C -1.139 176.406 177.584 -0.065 0.000 1.066 238 A CA -0.759 51.246 52.037 -0.053 0.000 0.730 238 A CB 1.506 20.473 19.000 -0.055 0.000 1.211 238 A HN 0.745 nan 8.150 nan 0.000 0.439 239 R N 2.601 123.061 120.500 -0.067 0.000 2.205 239 R HA 0.559 4.901 4.340 0.004 0.000 0.342 239 R C -1.168 175.097 176.300 -0.059 0.000 1.058 239 R CA -0.062 55.961 56.100 -0.127 0.000 0.904 239 R CB -0.140 29.979 30.300 -0.302 0.000 1.089 239 R HN 0.646 nan 8.270 nan 0.000 0.471 240 I N 3.717 124.287 120.570 -0.001 0.000 2.353 240 I HA 0.350 4.522 4.170 0.004 0.000 0.293 240 I C 0.483 176.641 176.117 0.069 0.000 0.992 240 I CA -0.804 60.520 61.300 0.039 0.000 1.268 240 I CB 1.884 39.919 38.000 0.058 0.000 1.387 240 I HN 0.660 nan 8.210 nan 0.000 0.478 241 A N 6.468 129.309 122.820 0.035 0.000 2.462 241 A HA 0.534 4.857 4.320 0.004 0.000 0.243 241 A C -0.026 177.553 177.584 -0.009 0.000 1.076 241 A CA -0.217 51.841 52.037 0.035 0.000 0.773 241 A CB 0.292 19.287 19.000 -0.008 0.000 1.010 241 A HN 0.683 nan 8.150 nan 0.000 0.493 242 V N 0.145 120.064 119.914 0.009 0.000 3.141 242 V HA 0.943 5.066 4.120 0.004 0.000 0.312 242 V C -0.619 175.458 176.094 -0.029 0.000 1.157 242 V CA -0.593 61.697 62.300 -0.016 0.000 1.041 242 V CB 1.724 33.558 31.823 0.018 0.000 1.071 242 V HN 1.136 nan 8.190 nan 0.000 0.441 243 E N 0.823 121.007 120.200 -0.027 0.000 2.416 243 E HA 0.680 5.033 4.350 0.004 0.000 0.273 243 E C -3.197 173.398 176.600 -0.009 0.000 0.935 243 E CA -2.535 53.847 56.400 -0.030 0.000 0.784 243 E CB 2.112 31.774 29.700 -0.062 0.000 1.301 243 E HN 0.461 nan 8.360 nan 0.000 0.454 244 P HA 0.054 nan 4.420 nan 0.000 0.265 244 P C -0.916 176.369 177.300 -0.025 0.000 1.193 244 P CA 0.199 63.290 63.100 -0.015 0.000 0.765 244 P CB 0.667 32.354 31.700 -0.020 0.000 0.823 245 A N 6.015 128.833 122.820 -0.003 0.000 2.451 245 A HA 0.369 4.691 4.320 0.004 0.000 0.266 245 A C -1.750 175.768 177.584 -0.109 0.000 1.119 245 A CA -1.001 51.032 52.037 -0.006 0.000 0.786 245 A CB -0.851 18.200 19.000 0.086 0.000 1.061 245 A HN 0.407 nan 8.150 nan 0.000 0.503 246 P HA 0.310 nan 4.420 nan 0.000 0.274 246 P C 0.578 177.722 177.300 -0.260 0.000 1.231 246 P CA 0.129 63.023 63.100 -0.343 0.000 0.790 246 P CB 1.522 32.884 31.700 -0.563 0.000 0.951 247 A N 3.411 126.098 122.820 -0.223 0.000 1.911 247 A HA 0.060 4.383 4.320 0.004 0.000 0.212 247 A C 1.161 178.630 177.584 -0.193 0.000 1.189 247 A CA 0.889 52.831 52.037 -0.159 0.000 0.639 247 A CB -0.118 18.791 19.000 -0.152 0.000 0.839 247 A HN 0.571 nan 8.150 nan 0.000 0.449 248 R N -2.314 117.925 120.500 -0.434 0.000 2.905 248 R HA 0.727 5.069 4.340 0.004 0.000 0.260 248 R C -1.277 174.779 176.300 -0.407 0.000 1.086 248 R CA -0.287 55.549 56.100 -0.440 0.000 0.978 248 R CB 1.935 31.841 30.300 -0.656 0.000 1.215 248 R HN 0.260 nan 8.270 nan 0.000 0.480 249 A N 1.390 124.126 122.820 -0.140 0.000 2.375 249 A HA 0.497 4.819 4.320 0.004 0.000 0.295 249 A C -1.113 176.559 177.584 0.146 0.000 1.066 249 A CA -0.670 51.345 52.037 -0.036 0.000 0.722 249 A CB 1.419 20.304 19.000 -0.192 0.000 1.206 249 A HN 0.529 nan 8.150 nan 0.000 0.435 250 R N 2.096 122.753 120.500 0.262 0.000 2.248 250 R HA 0.353 4.696 4.340 0.004 0.000 0.328 250 R C -1.319 175.126 176.300 0.241 0.000 1.067 250 R CA -0.401 55.861 56.100 0.269 0.000 0.924 250 R CB 0.190 30.608 30.300 0.196 0.000 1.013 250 R HN 0.683 nan 8.270 nan 0.000 0.454 251 W N 7.452 128.796 121.300 0.074 0.000 2.361 251 W HA 0.479 5.142 4.660 0.004 0.000 0.314 251 W C -1.296 175.383 176.519 0.267 0.000 1.041 251 W CA -1.122 56.287 57.345 0.107 0.000 1.241 251 W CB 0.953 30.522 29.460 0.182 0.000 1.279 251 W HN 0.414 nan 8.180 nan 0.000 0.436 252 V N 4.337 124.545 119.914 0.491 0.000 2.914 252 V HA 0.738 4.860 4.120 0.004 0.000 0.314 252 V C -0.882 175.273 176.094 0.102 0.000 1.084 252 V CA -1.393 61.088 62.300 0.302 0.000 0.963 252 V CB 2.187 34.125 31.823 0.192 0.000 1.025 252 V HN 0.510 nan 8.190 nan 0.000 0.432 253 R N 2.849 123.359 120.500 0.017 0.000 2.561 253 R HA 0.742 5.085 4.340 0.004 0.000 0.297 253 R C -1.781 174.668 176.300 0.247 0.000 0.969 253 R CA -0.804 55.283 56.100 -0.021 0.000 0.879 253 R CB 2.023 32.040 30.300 -0.471 0.000 1.178 253 R HN 0.627 nan 8.270 nan 0.000 0.445 254 L N 3.434 124.802 121.223 0.241 0.000 2.346 254 L HA 0.563 4.905 4.340 0.004 0.000 0.276 254 L C -0.232 176.851 176.870 0.355 0.000 1.006 254 L CA -0.961 53.963 54.840 0.140 0.000 0.817 254 L CB 1.685 43.735 42.059 -0.016 0.000 1.272 254 L HN 0.335 nan 8.230 nan 0.000 0.421 255 V N 3.388 123.474 119.914 0.286 0.000 2.483 255 V HA 0.545 4.667 4.120 0.004 0.000 0.295 255 V C -0.811 175.286 176.094 0.005 0.000 1.035 255 V CA -0.585 61.873 62.300 0.264 0.000 0.896 255 V CB 1.715 33.692 31.823 0.256 0.000 0.986 255 V HN 0.574 nan 8.190 nan 0.000 0.447 256 Y N 1.005 121.421 120.300 0.193 0.000 2.581 256 Y HA 0.490 5.043 4.550 0.004 0.000 0.345 256 Y C 0.969 176.960 175.900 0.151 0.000 1.036 256 Y CA -0.668 57.548 58.100 0.194 0.000 1.042 256 Y CB 2.551 41.198 38.460 0.311 0.000 1.289 256 Y HN 0.642 nan 8.280 nan 0.000 0.471 257 T N -4.108 110.625 114.554 0.298 0.000 2.975 257 T HA 0.105 4.458 4.350 0.004 0.000 0.257 257 T C -0.354 174.558 174.700 0.354 0.000 1.003 257 T CA -0.023 62.211 62.100 0.223 0.000 0.932 257 T CB 0.205 69.114 68.868 0.068 0.000 1.087 257 T HN 0.447 nan 8.240 nan 0.000 0.512 258 D N 0.656 121.281 120.400 0.375 0.000 2.392 258 D HA 0.294 4.937 4.640 0.004 0.000 0.228 258 D C 0.407 176.832 176.300 0.210 0.000 1.074 258 D CA -1.364 52.813 54.000 0.294 0.000 0.838 258 D CB 0.811 41.744 40.800 0.222 0.000 1.067 258 D HN 0.016 nan 8.370 nan 0.000 0.511 259 F N 4.321 124.249 119.950 -0.037 0.000 2.171 259 F HA -0.094 4.435 4.527 0.004 0.000 0.300 259 F C 1.980 177.717 175.800 -0.105 0.000 1.090 259 F CA 1.753 59.533 58.000 -0.365 0.000 1.293 259 F CB -0.069 38.711 39.000 -0.367 0.000 1.013 259 F HN 0.487 nan 8.300 nan 0.000 0.486 260 A N 0.421 123.232 122.820 -0.016 0.000 1.883 260 A HA -0.136 4.187 4.320 0.004 0.000 0.217 260 A C 2.431 179.926 177.584 -0.148 0.000 1.186 260 A CA 2.071 54.066 52.037 -0.070 0.000 0.624 260 A CB -1.597 17.434 19.000 0.052 0.000 0.822 260 A HN 0.501 nan 8.150 nan 0.000 0.444 261 A N -1.256 121.536 122.820 -0.047 0.000 1.898 261 A HA 0.032 4.355 4.320 0.004 0.000 0.216 261 A C 2.036 179.468 177.584 -0.253 0.000 1.181 261 A CA 1.553 53.593 52.037 0.004 0.000 0.620 261 A CB -0.709 18.442 19.000 0.252 0.000 0.819 261 A HN 0.744 nan 8.150 nan 0.000 0.442 262 F N 2.348 121.882 119.950 -0.694 0.000 2.046 262 F HA -0.240 4.289 4.527 0.004 0.000 0.297 262 F C 2.720 178.079 175.800 -0.735 0.000 1.123 262 F CA 2.310 59.630 58.000 -1.134 0.000 1.199 262 F CB -0.639 37.804 39.000 -0.928 0.000 0.972 262 F HN 0.300 nan 8.300 nan 0.000 0.474 263 S N 0.804 115.920 115.700 -0.973 0.000 2.383 263 S HA -0.090 4.382 4.470 0.004 0.000 0.227 263 S C 2.279 176.625 174.600 -0.423 0.000 1.026 263 S CA 0.795 58.518 58.200 -0.794 0.000 0.981 263 S CB -1.365 61.371 63.200 -0.773 0.000 0.818 263 S HN 0.517 nan 8.310 nan 0.000 0.472 264 A N 2.304 124.928 122.820 -0.327 0.000 1.902 264 A HA -0.122 4.200 4.320 0.004 0.000 0.217 264 A C 1.948 179.430 177.584 -0.170 0.000 1.181 264 A CA 1.788 53.720 52.037 -0.176 0.000 0.623 264 A CB -0.901 18.037 19.000 -0.104 0.000 0.818 264 A HN 0.472 nan 8.150 nan 0.000 0.443 265 D N -0.615 119.658 120.400 -0.211 0.000 2.144 265 D HA -0.102 4.541 4.640 0.004 0.000 0.200 265 D C 2.226 178.408 176.300 -0.196 0.000 0.978 265 D CA 1.151 55.076 54.000 -0.125 0.000 0.833 265 D CB -0.337 40.470 40.800 0.012 0.000 0.961 265 D HN 0.590 nan 8.370 nan 0.000 0.470 266 Q N 0.258 119.841 119.800 -0.361 0.000 2.124 266 Q HA -0.133 4.209 4.340 0.004 0.000 0.202 266 Q C 1.966 177.780 176.000 -0.310 0.000 0.977 266 Q CA 0.943 56.526 55.803 -0.368 0.000 0.850 266 Q CB -0.012 28.430 28.738 -0.493 0.000 0.901 266 Q HN 0.430 nan 8.270 nan 0.000 0.429 267 E N 0.337 120.386 120.200 -0.251 0.000 2.106 267 E HA -0.166 4.186 4.350 0.004 0.000 0.192 267 E C 2.030 178.545 176.600 -0.141 0.000 0.984 267 E CA 0.511 56.796 56.400 -0.192 0.000 0.806 267 E CB -0.025 29.603 29.700 -0.121 0.000 0.750 267 E HN 0.175 nan 8.360 nan 0.000 0.458 268 R N 0.766 121.196 120.500 -0.115 0.000 2.081 268 R HA -0.108 4.235 4.340 0.004 0.000 0.235 268 R C 2.290 178.549 176.300 -0.069 0.000 1.131 268 R CA 0.968 57.028 56.100 -0.067 0.000 0.960 268 R CB -0.134 30.143 30.300 -0.039 0.000 0.856 268 R HN 0.172 nan 8.270 nan 0.000 0.436 269 L N -0.080 121.072 121.223 -0.117 0.000 2.201 269 L HA -0.093 4.249 4.340 0.004 0.000 0.212 269 L C 1.975 178.698 176.870 -0.244 0.000 1.105 269 L CA 1.621 56.377 54.840 -0.140 0.000 0.775 269 L CB -0.217 41.739 42.059 -0.172 0.000 0.913 269 L HN 0.385 nan 8.230 nan 0.000 0.440 270 T N -3.688 110.664 114.554 -0.336 0.000 3.092 270 T HA 0.421 4.773 4.350 0.004 0.000 0.258 270 T C 0.617 175.394 174.700 0.129 0.000 1.031 270 T CA -0.042 61.813 62.100 -0.409 0.000 0.925 270 T CB 0.138 68.560 68.868 -0.744 0.000 1.036 270 T HN 0.131 nan 8.240 nan 0.000 0.544 271 A N 2.703 125.570 122.820 0.079 0.000 2.388 271 A HA 0.621 4.943 4.320 0.004 0.000 0.257 271 A C -2.490 175.135 177.584 0.069 0.000 1.095 271 A CA -1.467 50.623 52.037 0.087 0.000 0.791 271 A CB -0.092 18.907 19.000 -0.002 0.000 1.029 271 A HN 0.263 nan 8.150 nan 0.000 0.489 272 P HA 0.240 nan 4.420 nan 0.000 0.271 272 P C -0.046 177.057 177.300 -0.328 0.000 1.216 272 P CA 0.024 62.796 63.100 -0.546 0.000 0.776 272 P CB 0.599 32.061 31.700 -0.396 0.000 0.881 281 F N 1.563 121.510 119.950 -0.004 0.000 2.629 281 F HA 0.739 5.269 4.527 0.005 0.000 0.316 281 F C 1.255 177.092 175.800 0.061 0.000 1.081 281 F CA -0.005 58.020 58.000 0.043 0.000 0.954 281 F CB 1.367 40.392 39.000 0.041 0.000 1.337 281 F HN 0.776 nan 8.300 nan 0.000 0.474 282 G N 0.866 109.847 108.800 0.301 0.000 2.593 282 G HA2 0.218 4.180 3.960 0.004 0.000 0.279 282 G HA3 0.218 4.180 3.960 0.004 0.000 0.279 282 G C -1.761 173.253 174.900 0.190 0.000 1.329 282 G CA -0.543 44.669 45.100 0.186 0.000 1.036 282 G HN 0.492 nan 8.290 nan 0.000 0.555 283 P HA 0.063 nan 4.420 nan 0.000 0.230 283 P C 0.608 177.995 177.300 0.146 0.000 1.168 283 P CA 0.288 63.461 63.100 0.122 0.000 0.793 283 P CB 0.235 31.985 31.700 0.085 0.000 0.851 284 M N 0.553 120.258 119.600 0.174 0.000 2.260 284 M HA 0.025 4.508 4.480 0.004 0.000 0.348 284 M C 1.322 177.791 176.300 0.281 0.000 1.342 284 M CA 0.628 56.046 55.300 0.197 0.000 1.040 284 M CB -0.288 32.406 32.600 0.156 0.000 1.810 284 M HN -0.136 nan 8.290 nan 0.000 0.453 285 S N 2.305 118.135 115.700 0.217 0.000 2.478 285 S HA 0.061 4.534 4.470 0.004 0.000 0.222 285 S C -0.052 174.750 174.600 0.336 0.000 1.008 285 S CA 0.266 58.590 58.200 0.207 0.000 0.928 285 S CB 0.091 63.362 63.200 0.119 0.000 0.781 285 S HN 0.701 nan 8.310 nan 0.000 0.518 286 Y N 0.264 120.678 120.300 0.190 0.000 2.482 286 Y HA 0.544 5.096 4.550 0.004 0.000 0.334 286 Y C -2.044 173.926 175.900 0.116 0.000 1.091 286 Y CA -0.893 57.323 58.100 0.194 0.000 1.027 286 Y CB 1.288 39.791 38.460 0.071 0.000 1.306 286 Y HN -0.215 nan 8.280 nan 0.000 0.446 287 V N 6.173 125.899 119.914 -0.313 0.000 2.567 287 V HA 0.443 4.566 4.120 0.004 0.000 0.298 287 V C -0.828 174.861 176.094 -0.675 0.000 1.047 287 V CA -0.602 61.458 62.300 -0.400 0.000 0.880 287 V CB 1.611 33.143 31.823 -0.485 0.000 1.009 287 V HN 0.904 nan 8.190 nan 0.000 0.429 288 E N 1.906 121.802 120.200 -0.507 0.000 2.440 288 E HA 0.871 5.224 4.350 0.004 0.000 0.263 288 E C -0.330 176.308 176.600 0.064 0.000 0.938 288 E CA -0.863 55.289 56.400 -0.413 0.000 0.831 288 E CB 2.962 32.371 29.700 -0.484 0.000 1.456 288 E HN 0.788 nan 8.360 nan 0.000 0.427 289 G N -0.258 108.704 108.800 0.270 0.000 2.692 289 G HA2 0.561 4.524 3.960 0.004 0.000 0.291 289 G HA3 0.561 4.524 3.960 0.004 0.000 0.291 289 G C -1.382 173.708 174.900 0.317 0.000 1.423 289 G CA -0.380 44.986 45.100 0.444 0.000 0.843 289 G HN 0.279 nan 8.290 nan 0.000 0.486 290 S N -1.394 114.419 115.700 0.188 0.000 2.546 290 S HA 0.721 5.194 4.470 0.004 0.000 0.274 290 S C -0.854 173.479 174.600 -0.445 0.000 1.121 290 S CA -0.570 57.523 58.200 -0.179 0.000 0.887 290 S CB 2.081 65.104 63.200 -0.296 0.000 1.094 290 S HN 0.694 nan 8.310 nan 0.000 0.474 291 V N 2.558 122.056 119.914 -0.694 0.000 2.495 291 V HA 0.587 4.710 4.120 0.004 0.000 0.298 291 V C -1.508 174.069 176.094 -0.861 0.000 1.031 291 V CA -0.539 61.314 62.300 -0.745 0.000 0.871 291 V CB 0.975 32.253 31.823 -0.908 0.000 0.988 291 V HN 0.814 nan 8.190 nan 0.000 0.432 292 F N 3.868 123.613 119.950 -0.343 0.000 2.445 292 F HA 0.548 5.078 4.527 0.004 0.000 0.348 292 F C 0.243 175.906 175.800 -0.228 0.000 1.125 292 F CA -0.969 56.900 58.000 -0.218 0.000 0.983 292 F CB 1.828 40.723 39.000 -0.174 0.000 1.198 292 F HN 0.407 nan 8.300 nan 0.000 0.436 293 V N 0.604 120.513 119.914 -0.008 0.000 2.686 293 V HA 0.225 4.347 4.120 0.004 0.000 0.295 293 V C 1.124 177.218 176.094 -0.000 0.000 1.055 293 V CA -0.528 61.761 62.300 -0.019 0.000 1.050 293 V CB 1.076 32.908 31.823 0.016 0.000 0.984 293 V HN 0.826 nan 8.190 nan 0.000 0.482 294 N N 2.458 121.144 118.700 -0.024 0.000 2.061 294 N HA -0.259 4.484 4.740 0.004 0.000 0.193 294 N C 1.682 177.186 175.510 -0.010 0.000 1.030 294 N CA 2.191 55.226 53.050 -0.024 0.000 0.856 294 N CB -0.335 38.135 38.487 -0.029 0.000 1.023 294 N HN 0.952 nan 8.380 nan 0.000 0.424 295 Q N -0.028 119.771 119.800 -0.001 0.000 2.248 295 Q HA -0.066 4.277 4.340 0.004 0.000 0.208 295 Q C 0.738 176.746 176.000 0.013 0.000 0.984 295 Q CA 1.812 57.617 55.803 0.004 0.000 0.875 295 Q CB -0.281 28.461 28.738 0.007 0.000 0.910 295 Q HN 0.507 nan 8.270 nan 0.000 0.433 296 S N -1.805 113.911 115.700 0.027 0.000 2.843 296 S HA 0.174 4.647 4.470 0.004 0.000 0.249 296 S C 0.934 175.560 174.600 0.044 0.000 1.047 296 S CA -0.318 57.906 58.200 0.040 0.000 1.042 296 S CB 0.108 63.345 63.200 0.062 0.000 0.936 296 S HN 0.256 nan 8.310 nan 0.000 0.531 297 L N 2.666 123.898 121.223 0.014 0.000 1.956 297 L HA 0.050 4.392 4.340 0.004 0.000 0.216 297 L C 2.635 179.460 176.870 -0.075 0.000 1.073 297 L CA 2.568 57.394 54.840 -0.025 0.000 0.762 297 L CB -1.331 40.687 42.059 -0.067 0.000 0.889 297 L HN 0.443 nan 8.230 nan 0.000 0.433 298 A N -1.823 120.956 122.820 -0.067 0.000 1.883 298 A HA -0.252 4.071 4.320 0.004 0.000 0.217 298 A C 2.265 179.825 177.584 -0.040 0.000 1.186 298 A CA 2.606 54.598 52.037 -0.075 0.000 0.624 298 A CB -1.345 17.626 19.000 -0.049 0.000 0.822 298 A HN 0.578 nan 8.150 nan 0.000 0.444 299 T N 0.158 114.712 114.554 0.001 0.000 2.708 299 T HA -0.123 4.229 4.350 0.004 0.000 0.266 299 T C 1.503 176.243 174.700 0.067 0.000 1.037 299 T CA 1.563 63.683 62.100 0.034 0.000 1.146 299 T CB -0.427 68.469 68.868 0.046 0.000 0.865 299 T HN 0.484 nan 8.240 nan 0.000 0.435 300 D N 1.035 121.494 120.400 0.099 0.000 2.144 300 D HA 0.027 4.669 4.640 0.004 0.000 0.200 300 D C 2.147 178.557 176.300 0.184 0.000 0.978 300 D CA 0.597 54.722 54.000 0.209 0.000 0.833 300 D CB -0.358 40.659 40.800 0.361 0.000 0.961 300 D HN 0.314 nan 8.370 nan 0.000 0.470 301 L N 0.657 121.838 121.223 -0.071 0.000 2.046 301 L HA -0.123 4.220 4.340 0.004 0.000 0.208 301 L C 2.520 179.434 176.870 0.073 0.000 1.077 301 L CA 1.125 55.846 54.840 -0.199 0.000 0.747 301 L CB -0.401 41.382 42.059 -0.460 0.000 0.896 301 L HN -0.022 nan 8.230 nan 0.000 0.432 302 A N 0.112 122.955 122.820 0.038 0.000 1.930 302 A HA -0.171 4.152 4.320 0.004 0.000 0.217 302 A C 1.837 179.482 177.584 0.101 0.000 1.175 302 A CA 1.616 53.694 52.037 0.068 0.000 0.627 302 A CB -0.508 18.513 19.000 0.035 0.000 0.815 302 A HN 0.426 nan 8.150 nan 0.000 0.443 303 N N 0.205 118.977 118.700 0.119 0.000 2.571 303 N HA -0.073 4.669 4.740 0.004 0.000 0.189 303 N C 1.559 177.168 175.510 0.164 0.000 1.154 303 N CA 1.385 54.516 53.050 0.134 0.000 0.907 303 N CB -0.497 38.074 38.487 0.140 0.000 0.977 303 N HN 0.740 nan 8.380 nan 0.000 0.449 304 T N -3.504 111.166 114.554 0.193 0.000 2.951 304 T HA 0.072 4.425 4.350 0.004 0.000 0.268 304 T C 1.625 176.412 174.700 0.144 0.000 1.073 304 T CA 1.018 63.240 62.100 0.202 0.000 1.134 304 T CB -0.223 68.773 68.868 0.214 0.000 0.884 304 T HN 0.245 nan 8.240 nan 0.000 0.479 305 G N 0.276 109.137 108.800 0.101 0.000 2.162 305 G HA2 -0.295 3.668 3.960 0.004 0.000 0.260 305 G HA3 -0.295 3.668 3.960 0.004 0.000 0.260 305 G C 0.330 175.207 174.900 -0.038 0.000 0.976 305 G CA 0.412 45.541 45.100 0.048 0.000 0.655 305 G HN 0.566 nan 8.290 nan 0.000 0.533 306 F N -0.103 119.689 119.950 -0.263 0.000 2.490 306 F HA 0.592 5.122 4.527 0.004 0.000 0.280 306 F C 0.979 176.494 175.800 -0.474 0.000 1.030 306 F CA -0.314 57.370 58.000 -0.527 0.000 1.367 306 F CB 0.333 38.846 39.000 -0.812 0.000 1.131 306 F HN -0.017 nan 8.300 nan 0.000 0.632 307 F N 1.610 121.583 119.950 0.039 0.000 2.399 307 F HA 0.298 4.828 4.527 0.004 0.000 0.342 307 F C 1.003 176.731 175.800 -0.121 0.000 1.106 307 F CA -0.855 57.083 58.000 -0.104 0.000 1.196 307 F CB 0.375 39.257 39.000 -0.196 0.000 1.163 307 F HN -0.122 nan 8.300 nan 0.000 0.547 308 T N -1.947 112.662 114.554 0.092 0.000 2.847 308 T HA 0.157 4.509 4.350 0.004 0.000 0.279 308 T C 0.855 175.570 174.700 0.025 0.000 0.984 308 T CA -0.812 61.306 62.100 0.029 0.000 0.988 308 T CB 0.929 69.807 68.868 0.017 0.000 1.040 308 T HN 0.541 nan 8.240 nan 0.000 0.528 309 D N 0.606 121.010 120.400 0.008 0.000 2.218 309 D HA -0.086 4.556 4.640 0.004 0.000 0.204 309 D C 2.224 178.518 176.300 -0.011 0.000 0.976 309 D CA 1.402 55.399 54.000 -0.005 0.000 0.853 309 D CB -0.315 40.483 40.800 -0.004 0.000 0.939 309 D HN 0.738 nan 8.370 nan 0.000 0.481 310 A N 1.364 124.187 122.820 0.004 0.000 1.898 310 A HA -0.166 4.157 4.320 0.004 0.000 0.216 310 A C 1.843 179.436 177.584 0.015 0.000 1.181 310 A CA 1.339 53.383 52.037 0.011 0.000 0.620 310 A CB -0.171 18.842 19.000 0.022 0.000 0.819 310 A HN 0.009 nan 8.150 nan 0.000 0.442 311 D N -0.047 120.366 120.400 0.022 0.000 2.117 311 D HA -0.108 4.535 4.640 0.004 0.000 0.197 311 D C 2.094 178.277 176.300 -0.194 0.000 0.987 311 D CA 1.453 55.437 54.000 -0.026 0.000 0.829 311 D CB -0.558 40.179 40.800 -0.106 0.000 0.961 311 D HN 0.212 nan 8.370 nan 0.000 0.460 312 V N 1.669 121.467 119.914 -0.194 0.000 2.287 312 V HA -0.264 3.858 4.120 0.004 0.000 0.248 312 V C 2.594 178.604 176.094 -0.140 0.000 1.053 312 V CA 1.906 64.066 62.300 -0.234 0.000 1.027 312 V CB -0.884 30.852 31.823 -0.145 0.000 0.646 312 V HN 0.193 nan 8.190 nan 0.000 0.447 313 A N -0.115 122.665 122.820 -0.067 0.000 1.908 313 A HA -0.252 4.071 4.320 0.004 0.000 0.218 313 A C 2.371 179.958 177.584 0.005 0.000 1.181 313 A CA 2.008 54.027 52.037 -0.030 0.000 0.627 313 A CB -0.515 18.478 19.000 -0.012 0.000 0.818 313 A HN 0.528 nan 8.150 nan 0.000 0.445 314 R N -0.681 119.843 120.500 0.040 0.000 2.096 314 R HA -0.022 4.321 4.340 0.004 0.000 0.235 314 R C 1.959 178.415 176.300 0.261 0.000 1.127 314 R CA 1.577 57.767 56.100 0.150 0.000 0.968 314 R CB -0.439 29.942 30.300 0.135 0.000 0.861 314 R HN 0.592 nan 8.270 nan 0.000 0.440 315 I N 0.024 120.678 120.570 0.140 0.000 2.353 315 I HA -0.210 3.963 4.170 0.004 0.000 0.248 315 I C 2.137 178.196 176.117 -0.097 0.000 1.119 315 I CA 0.874 62.174 61.300 0.000 0.000 1.417 315 I CB -0.137 37.698 38.000 -0.275 0.000 1.078 315 I HN -0.042 nan 8.210 nan 0.000 0.421 316 V N 1.102 120.959 119.914 -0.095 0.000 2.407 316 V HA -0.270 3.852 4.120 0.004 0.000 0.248 316 V C 2.704 178.771 176.094 -0.044 0.000 1.055 316 V CA 1.965 64.215 62.300 -0.084 0.000 1.049 316 V CB -0.921 30.858 31.823 -0.073 0.000 0.662 316 V HN 0.485 nan 8.190 nan 0.000 0.455 317 A N -0.098 122.718 122.820 -0.006 0.000 1.898 317 A HA -0.163 4.160 4.320 0.004 0.000 0.216 317 A C 2.144 179.730 177.584 0.005 0.000 1.181 317 A CA 1.883 53.928 52.037 0.013 0.000 0.620 317 A CB -0.538 18.489 19.000 0.046 0.000 0.819 317 A HN 0.456 nan 8.150 nan 0.000 0.442 318 L N 0.028 121.249 121.223 -0.002 0.000 2.012 318 L HA -0.116 4.227 4.340 0.004 0.000 0.210 318 L C 2.611 179.422 176.870 -0.098 0.000 1.073 318 L CA 2.391 57.180 54.840 -0.085 0.000 0.748 318 L CB -0.884 40.981 42.059 -0.323 0.000 0.891 318 L HN 0.335 nan 8.230 nan 0.000 0.431 319 A N -0.447 122.312 122.820 -0.103 0.000 1.908 319 A HA -0.095 4.228 4.320 0.004 0.000 0.218 319 A C 2.356 179.911 177.584 -0.047 0.000 1.181 319 A CA 1.693 53.681 52.037 -0.082 0.000 0.627 319 A CB -1.662 17.284 19.000 -0.090 0.000 0.818 319 A HN 0.561 nan 8.150 nan 0.000 0.445 320 G N -0.592 108.186 108.800 -0.037 0.000 2.422 320 G HA2 -0.194 3.769 3.960 0.004 0.000 0.218 320 G HA3 -0.194 3.769 3.960 0.004 0.000 0.218 320 G C 1.415 176.307 174.900 -0.013 0.000 1.146 320 G CA 0.994 46.081 45.100 -0.021 0.000 0.769 320 G HN 0.665 nan 8.290 nan 0.000 0.547 321 E N 0.018 120.210 120.200 -0.013 0.000 2.077 321 E HA -0.068 4.285 4.350 0.004 0.000 0.193 321 E C 2.558 179.156 176.600 -0.005 0.000 0.989 321 E CA 0.572 56.970 56.400 -0.004 0.000 0.800 321 E CB 0.006 29.707 29.700 0.002 0.000 0.746 321 E HN 0.134 nan 8.360 nan 0.000 0.452 322 R N 0.590 121.082 120.500 -0.014 0.000 2.297 322 R HA 0.036 4.379 4.340 0.004 0.000 0.197 322 R C 0.437 176.739 176.300 0.003 0.000 0.943 322 R CA 0.185 56.283 56.100 -0.004 0.000 1.038 322 R CB -0.655 29.640 30.300 -0.008 0.000 0.957 322 R HN 0.151 nan 8.270 nan 0.000 0.484 323 N N 0.278 118.975 118.700 -0.004 0.000 2.740 323 N HA -0.190 4.553 4.740 0.004 0.000 0.248 323 N C -1.104 174.406 175.510 0.001 0.000 1.062 323 N CA 0.772 53.821 53.050 -0.002 0.000 0.704 323 N CB -0.879 37.611 38.487 0.004 0.000 0.968 323 N HN 0.363 nan 8.380 nan 0.000 0.547 324 A N -0.283 122.533 122.820 -0.006 0.000 2.366 324 A HA 0.509 4.832 4.320 0.004 0.000 0.272 324 A C 1.539 179.112 177.584 -0.019 0.000 1.135 324 A CA 0.279 52.315 52.037 -0.002 0.000 0.804 324 A CB 0.345 19.338 19.000 -0.011 0.000 1.064 324 A HN 0.676 nan 8.150 nan 0.000 0.499 325 T N -1.163 113.386 114.554 -0.009 0.000 3.081 325 T HA 0.236 4.588 4.350 0.004 0.000 0.255 325 T C 0.596 175.267 174.700 -0.049 0.000 1.113 325 T CA 0.908 62.996 62.100 -0.020 0.000 1.082 325 T CB -0.575 68.290 68.868 -0.005 0.000 0.939 325 T HN 1.191 nan 8.240 nan 0.000 0.506 326 T N -0.998 113.503 114.554 -0.088 0.000 2.923 326 T HA 0.681 5.034 4.350 0.004 0.000 0.311 326 T C -1.242 173.218 174.700 -0.401 0.000 1.183 326 T CA -0.764 61.188 62.100 -0.247 0.000 1.020 326 T CB 2.015 70.706 68.868 -0.296 0.000 1.165 326 T HN -0.005 nan 8.240 nan 0.000 0.482 327 V N 2.323 121.939 119.914 -0.496 0.000 2.680 327 V HA 0.655 4.777 4.120 0.004 0.000 0.309 327 V C -1.432 174.302 176.094 -0.600 0.000 1.052 327 V CA -0.910 61.154 62.300 -0.395 0.000 0.908 327 V CB 1.682 33.415 31.823 -0.150 0.000 1.001 327 V HN 0.953 nan 8.190 nan 0.000 0.431 328 Y N 1.323 121.609 120.300 -0.024 0.000 2.485 328 Y HA 0.722 5.275 4.550 0.004 0.000 0.345 328 Y C 0.289 176.206 175.900 0.027 0.000 0.998 328 Y CA -0.726 57.189 58.100 -0.308 0.000 1.059 328 Y CB 2.287 40.135 38.460 -1.019 0.000 1.234 328 Y HN 0.531 nan 8.280 nan 0.000 0.461 329 S N 2.812 118.654 115.700 0.237 0.000 2.614 329 S HA 0.630 5.102 4.470 0.004 0.000 0.288 329 S C -1.170 173.773 174.600 0.571 0.000 1.137 329 S CA -0.537 57.963 58.200 0.499 0.000 0.992 329 S CB 0.396 63.939 63.200 0.572 0.000 1.026 329 S HN 0.591 nan 8.310 nan 0.000 0.486 330 I N 3.605 124.554 120.570 0.632 0.000 2.428 330 I HA 0.378 4.550 4.170 0.004 0.000 0.289 330 I C 0.395 176.696 176.117 0.306 0.000 1.019 330 I CA -0.286 61.296 61.300 0.470 0.000 1.351 330 I CB 1.289 39.515 38.000 0.376 0.000 1.412 330 I HN 0.655 nan 8.210 nan 0.000 0.513 331 E N 5.821 126.179 120.200 0.262 0.000 2.165 331 E HA 0.727 5.080 4.350 0.004 0.000 0.266 331 E C -1.582 175.234 176.600 0.360 0.000 0.889 331 E CA -0.611 55.963 56.400 0.289 0.000 0.756 331 E CB 1.736 31.660 29.700 0.375 0.000 1.131 331 E HN 0.732 nan 8.360 nan 0.000 0.411 332 A N 2.819 125.852 122.820 0.355 0.000 2.587 332 A HA 0.760 5.082 4.320 0.004 0.000 0.293 332 A C -0.681 177.051 177.584 0.246 0.000 1.087 332 A CA -0.536 51.700 52.037 0.332 0.000 0.692 332 A CB 1.900 21.008 19.000 0.180 0.000 1.291 332 A HN 0.619 nan 8.150 nan 0.000 0.407 333 T N -1.311 113.322 114.554 0.132 0.000 2.883 333 T HA 0.755 5.107 4.350 0.004 0.000 0.296 333 T C -1.093 173.624 174.700 0.027 0.000 1.117 333 T CA -0.634 61.430 62.100 -0.061 0.000 1.006 333 T CB 1.282 69.806 68.868 -0.574 0.000 1.191 333 T HN 0.666 nan 8.240 nan 0.000 0.508 334 L N 2.361 123.604 121.223 0.034 0.000 2.406 334 L HA 0.462 4.804 4.340 0.004 0.000 0.270 334 L C -0.744 176.195 176.870 0.114 0.000 0.982 334 L CA -1.009 53.882 54.840 0.085 0.000 0.843 334 L CB 1.704 43.821 42.059 0.097 0.000 1.225 334 L HN 0.673 nan 8.230 nan 0.000 0.412 335 N N 3.307 122.034 118.700 0.045 0.000 2.529 335 N HA 0.445 5.188 4.740 0.004 0.000 0.278 335 N C -1.001 174.565 175.510 0.093 0.000 1.146 335 N CA 0.038 53.066 53.050 -0.035 0.000 0.980 335 N CB 1.200 39.563 38.487 -0.207 0.000 1.124 335 N HN 0.440 nan 8.380 nan 0.000 0.458 336 Y N -2.095 118.147 120.300 -0.097 0.000 2.656 336 Y HA 0.477 5.029 4.550 0.005 0.000 0.334 336 Y C -1.056 174.808 175.900 -0.059 0.000 1.179 336 Y CA -1.426 56.638 58.100 -0.061 0.000 1.050 336 Y CB 0.640 39.083 38.460 -0.028 0.000 1.308 336 Y HN 0.438 nan 8.280 nan 0.000 0.456 337 D N -0.840 119.588 120.400 0.047 0.000 2.478 337 D HA 0.243 4.886 4.640 0.004 0.000 0.263 337 D C -0.391 175.937 176.300 0.046 0.000 1.153 337 D CA -0.821 53.158 54.000 -0.036 0.000 1.038 337 D CB 0.538 41.337 40.800 -0.002 0.000 1.120 337 D HN 0.544 nan 8.370 nan 0.000 0.564 338 N N -0.500 118.205 118.700 0.010 0.000 2.416 338 N HA 0.193 4.935 4.740 0.004 0.000 0.215 338 N C -0.209 175.341 175.510 0.067 0.000 1.208 338 N CA -0.058 53.020 53.050 0.046 0.000 0.834 338 N CB -0.251 38.242 38.487 0.011 0.000 1.072 338 N HN 0.526 nan 8.380 nan 0.000 0.472 339 A N 0.243 123.113 122.820 0.084 0.000 2.429 339 A HA 0.129 4.452 4.320 0.004 0.000 0.242 339 A C 1.717 179.337 177.584 0.060 0.000 1.088 339 A CA 0.128 52.202 52.037 0.061 0.000 0.784 339 A CB 0.178 19.213 19.000 0.057 0.000 1.038 339 A HN 0.392 nan 8.150 nan 0.000 0.501 340 T N -1.741 112.836 114.554 0.039 0.000 2.867 340 T HA 0.024 4.377 4.350 0.004 0.000 0.268 340 T C 1.398 176.114 174.700 0.026 0.000 1.057 340 T CA 1.611 63.730 62.100 0.032 0.000 1.136 340 T CB -0.267 68.614 68.868 0.021 0.000 0.874 340 T HN 1.039 nan 8.240 nan 0.000 0.466 341 A N 0.626 123.459 122.820 0.021 0.000 2.220 341 A HA 0.775 5.098 4.320 0.004 0.000 0.211 341 A C 2.589 180.169 177.584 -0.007 0.000 1.176 341 A CA 0.833 52.874 52.037 0.006 0.000 0.834 341 A CB -0.820 18.182 19.000 0.003 0.000 0.868 341 A HN 0.633 nan 8.150 nan 0.000 0.488 342 A N 0.850 123.681 122.820 0.018 0.000 1.881 342 A HA -0.077 4.245 4.320 0.004 0.000 0.219 342 A C 2.525 180.012 177.584 -0.160 0.000 1.215 342 A CA 2.720 54.755 52.037 -0.003 0.000 0.648 342 A CB -1.328 17.782 19.000 0.184 0.000 0.832 342 A HN 1.224 nan 8.150 nan 0.000 0.455 343 A N -0.473 122.287 122.820 -0.100 0.000 1.869 343 A HA -0.008 4.314 4.320 0.004 0.000 0.218 343 A C 2.594 180.089 177.584 -0.148 0.000 1.203 343 A CA 3.171 55.117 52.037 -0.152 0.000 0.638 343 A CB -1.343 17.641 19.000 -0.027 0.000 0.831 343 A HN 1.418 nan 8.150 nan 0.000 0.450 344 A N -0.698 122.073 122.820 -0.081 0.000 1.933 344 A HA 0.172 4.495 4.320 0.004 0.000 0.218 344 A C 2.483 180.021 177.584 -0.076 0.000 1.175 344 A CA 2.180 54.179 52.037 -0.063 0.000 0.628 344 A CB -0.949 18.030 19.000 -0.035 0.000 0.814 344 A HN 1.169 nan 8.150 nan 0.000 0.444 345 A N -0.596 122.170 122.820 -0.089 0.000 1.898 345 A HA 0.038 4.361 4.320 0.004 0.000 0.216 345 A C 2.208 179.724 177.584 -0.115 0.000 1.181 345 A CA 1.657 53.645 52.037 -0.081 0.000 0.620 345 A CB -0.853 18.108 19.000 -0.064 0.000 0.819 345 A HN 0.366 nan 8.150 nan 0.000 0.442 346 V N 0.748 120.533 119.914 -0.216 0.000 2.343 346 V HA -0.249 3.873 4.120 0.004 0.000 0.247 346 V C 2.181 178.192 176.094 -0.139 0.000 1.051 346 V CA 2.260 64.408 62.300 -0.252 0.000 1.036 346 V CB -0.814 30.670 31.823 -0.565 0.000 0.654 346 V HN 0.502 nan 8.190 nan 0.000 0.451 347 D N -0.241 120.086 120.400 -0.121 0.000 2.104 347 D HA -0.204 4.438 4.640 0.004 0.000 0.194 347 D C 2.339 178.617 176.300 -0.036 0.000 0.994 347 D CA 1.455 55.417 54.000 -0.062 0.000 0.830 347 D CB -0.236 40.533 40.800 -0.051 0.000 0.959 347 D HN 0.549 nan 8.370 nan 0.000 0.452 348 Q N 0.271 120.048 119.800 -0.038 0.000 2.050 348 Q HA -0.184 4.158 4.340 0.004 0.000 0.202 348 Q C 2.163 178.157 176.000 -0.010 0.000 0.980 348 Q CA 1.301 57.092 55.803 -0.020 0.000 0.840 348 Q CB -0.121 28.605 28.738 -0.021 0.000 0.898 348 Q HN 0.314 nan 8.270 nan 0.000 0.424 349 E N 0.774 120.963 120.200 -0.018 0.000 2.058 349 E HA -0.231 4.122 4.350 0.004 0.000 0.194 349 E C 1.872 178.481 176.600 0.015 0.000 0.997 349 E CA 0.966 57.365 56.400 -0.001 0.000 0.801 349 E CB -0.137 29.557 29.700 -0.009 0.000 0.746 349 E HN 0.198 nan 8.360 nan 0.000 0.450 350 L N 0.650 121.879 121.223 0.009 0.000 1.994 350 L HA -0.082 4.261 4.340 0.004 0.000 0.208 350 L C 2.314 179.211 176.870 0.045 0.000 1.071 350 L CA 2.347 57.206 54.840 0.032 0.000 0.745 350 L CB -1.069 41.005 42.059 0.025 0.000 0.892 350 L HN 0.246 nan 8.230 nan 0.000 0.431 351 A N -1.561 121.278 122.820 0.032 0.000 1.948 351 A HA -0.291 4.031 4.320 0.004 0.000 0.220 351 A C 2.546 180.159 177.584 0.048 0.000 1.177 351 A CA 2.260 54.322 52.037 0.041 0.000 0.636 351 A CB -1.219 17.795 19.000 0.022 0.000 0.815 351 A HN 0.586 nan 8.150 nan 0.000 0.449 352 S N -0.826 114.896 115.700 0.037 0.000 2.348 352 S HA -0.126 4.347 4.470 0.004 0.000 0.221 352 S C 1.931 176.562 174.600 0.051 0.000 1.033 352 S CA 1.663 59.885 58.200 0.036 0.000 1.010 352 S CB -0.589 62.626 63.200 0.026 0.000 0.891 352 S HN 0.314 nan 8.310 nan 0.000 0.442 353 V N 2.443 122.392 119.914 0.059 0.000 2.255 353 V HA -0.164 3.958 4.120 0.004 0.000 0.247 353 V C 2.467 178.625 176.094 0.107 0.000 1.051 353 V CA 2.035 64.379 62.300 0.074 0.000 1.018 353 V CB -0.802 31.066 31.823 0.075 0.000 0.641 353 V HN 0.507 nan 8.190 nan 0.000 0.445 354 L N 0.513 121.816 121.223 0.134 0.000 2.187 354 L HA -0.119 4.223 4.340 0.004 0.000 0.213 354 L C 2.499 179.487 176.870 0.197 0.000 1.100 354 L CA 1.483 56.463 54.840 0.233 0.000 0.765 354 L CB -1.049 41.158 42.059 0.247 0.000 0.904 354 L HN 0.506 nan 8.230 nan 0.000 0.437 355 G N -0.617 108.248 108.800 0.107 0.000 2.509 355 G HA2 -0.206 3.756 3.960 0.004 0.000 0.218 355 G HA3 -0.206 3.756 3.960 0.004 0.000 0.218 355 G C 1.565 176.489 174.900 0.038 0.000 1.124 355 G CA 1.083 46.216 45.100 0.054 0.000 0.776 355 G HN 0.472 nan 8.290 nan 0.000 0.547 356 T N -1.472 113.119 114.554 0.061 0.000 3.107 356 T HA 0.430 4.783 4.350 0.004 0.000 0.249 356 T C 0.935 175.673 174.700 0.063 0.000 1.096 356 T CA -0.302 61.827 62.100 0.048 0.000 1.012 356 T CB -0.010 68.886 68.868 0.047 0.000 0.977 356 T HN 0.074 nan 8.240 nan 0.000 0.527 357 L N 0.526 121.809 121.223 0.100 0.000 2.416 357 L HA 0.539 4.881 4.340 0.004 0.000 0.263 357 L C 0.602 177.492 176.870 0.034 0.000 1.065 357 L CA -0.956 53.975 54.840 0.152 0.000 0.798 357 L CB 1.307 43.580 42.059 0.356 0.000 1.267 357 L HN -0.002 nan 8.230 nan 0.000 0.467 358 S N -1.256 114.519 115.700 0.124 0.000 2.809 358 S HA 0.206 4.679 4.470 0.004 0.000 0.248 358 S C -0.380 174.204 174.600 -0.028 0.000 1.071 358 S CA -0.589 57.624 58.200 0.023 0.000 1.059 358 S CB -0.240 63.032 63.200 0.119 0.000 0.923 358 S HN 0.449 nan 8.310 nan 0.000 0.516 359 Y N -0.092 120.117 120.300 -0.151 0.000 2.385 359 Y HA 0.518 5.071 4.550 0.004 0.000 0.346 359 Y C 0.330 176.061 175.900 -0.282 0.000 1.270 359 Y CA -1.280 56.381 58.100 -0.733 0.000 1.472 359 Y CB -0.218 37.848 38.460 -0.656 0.000 1.354 359 Y HN -0.122 nan 8.280 nan 0.000 0.611 360 V N 2.145 121.999 119.914 -0.099 0.000 2.540 360 V HA -0.097 4.025 4.120 0.004 0.000 0.297 360 V C 0.609 176.827 176.094 0.207 0.000 1.024 360 V CA -0.263 62.043 62.300 0.009 0.000 1.105 360 V CB 0.053 31.796 31.823 -0.133 0.000 0.938 360 V HN 0.881 nan 8.190 nan 0.000 0.482 361 E N 3.960 124.203 120.200 0.071 0.000 2.820 361 E HA 0.084 4.437 4.350 0.004 0.000 0.251 361 E C 1.289 178.014 176.600 0.209 0.000 0.944 361 E CA 0.877 57.318 56.400 0.068 0.000 0.955 361 E CB -0.128 29.587 29.700 0.024 0.000 0.904 361 E HN 1.086 nan 8.360 nan 0.000 0.513 362 G N 4.054 112.939 108.800 0.142 0.000 2.179 362 G HA2 -0.297 3.665 3.960 0.004 0.000 0.260 362 G HA3 -0.297 3.665 3.960 0.004 0.000 0.260 362 G C 0.129 174.855 174.900 -0.291 0.000 0.977 362 G CA 0.176 45.242 45.100 -0.055 0.000 0.641 362 G HN 0.552 nan 8.290 nan 0.000 0.533 363 F N 1.697 121.659 119.950 0.019 0.000 2.732 363 F HA 0.669 5.198 4.527 0.004 0.000 0.312 363 F C 0.853 176.484 175.800 -0.282 0.000 1.240 363 F CA 0.034 57.969 58.000 -0.108 0.000 1.211 363 F CB 0.879 39.979 39.000 0.167 0.000 1.331 363 F HN 0.398 nan 8.300 nan 0.000 0.537 364 A N 0.946 123.454 122.820 -0.521 0.000 2.330 364 A HA 0.791 5.113 4.320 0.004 0.000 0.313 364 A C -1.235 176.027 177.584 -0.538 0.000 1.124 364 A CA -0.360 51.403 52.037 -0.457 0.000 0.774 364 A CB 0.486 19.235 19.000 -0.419 0.000 1.198 364 A HN 0.290 nan 8.150 nan 0.000 0.465 365 F N 1.151 121.159 119.950 0.097 0.000 2.493 365 F HA 0.493 5.023 4.527 0.004 0.000 0.329 365 F C 0.467 176.403 175.800 0.226 0.000 1.126 365 F CA -0.260 57.859 58.000 0.197 0.000 0.937 365 F CB 2.181 41.431 39.000 0.417 0.000 1.146 365 F HN 0.579 nan 8.300 nan 0.000 0.442 366 Q N 3.325 123.271 119.800 0.242 0.000 2.348 366 Q HA 0.776 5.118 4.340 0.004 0.000 0.271 366 Q C -0.793 175.219 176.000 0.020 0.000 1.067 366 Q CA -1.221 54.688 55.803 0.177 0.000 0.839 366 Q CB 3.248 32.047 28.738 0.102 0.000 1.354 366 Q HN 0.632 nan 8.270 nan 0.000 0.447 367 R N 0.469 120.984 120.500 0.026 0.000 2.740 367 R HA 0.420 4.763 4.340 0.004 0.000 0.273 367 R C -1.725 174.658 176.300 0.138 0.000 0.998 367 R CA -0.763 55.288 56.100 -0.082 0.000 0.900 367 R CB 2.041 32.087 30.300 -0.424 0.000 1.223 367 R HN 0.622 nan 8.270 nan 0.000 0.466 368 D N 1.441 121.919 120.400 0.130 0.000 2.696 368 D HA 0.462 5.104 4.640 0.004 0.000 0.251 368 D C -1.119 175.290 176.300 0.182 0.000 1.188 368 D CA -0.551 53.567 54.000 0.196 0.000 0.876 368 D CB 1.710 42.614 40.800 0.174 0.000 1.334 368 D HN 0.337 nan 8.370 nan 0.000 0.540 369 V N 0.496 120.537 119.914 0.212 0.000 3.167 369 V HA 0.958 5.080 4.120 0.004 0.000 0.310 369 V C -0.329 175.823 176.094 0.097 0.000 1.207 369 V CA -1.093 61.311 62.300 0.172 0.000 1.059 369 V CB 1.175 33.167 31.823 0.281 0.000 1.079 369 V HN 0.634 nan 8.190 nan 0.000 0.446 370 A N 0.208 123.070 122.820 0.070 0.000 2.407 370 A HA 0.490 4.813 4.320 0.004 0.000 0.248 370 A C 0.492 178.120 177.584 0.074 0.000 1.082 370 A CA 0.105 52.163 52.037 0.035 0.000 0.785 370 A CB -0.214 18.798 19.000 0.021 0.000 1.020 370 A HN 1.369 nan 8.150 nan 0.000 0.489 371 Y N 2.503 122.747 120.300 -0.092 0.000 2.114 371 Y HA -0.256 4.297 4.550 0.005 0.000 0.282 371 Y C 2.394 178.239 175.900 -0.092 0.000 1.165 371 Y CA 2.445 60.490 58.100 -0.091 0.000 1.148 371 Y CB -0.701 37.697 38.460 -0.103 0.000 0.972 371 Y HN 0.678 nan 8.280 nan 0.000 0.504 372 A N 0.136 122.854 122.820 -0.171 0.000 1.972 372 A HA -0.060 4.262 4.320 0.004 0.000 0.219 372 A C 2.461 179.889 177.584 -0.260 0.000 1.169 372 A CA 1.836 53.684 52.037 -0.313 0.000 0.635 372 A CB -1.401 17.492 19.000 -0.178 0.000 0.810 372 A HN 0.594 nan 8.150 nan 0.000 0.446 373 A N -1.092 121.654 122.820 -0.123 0.000 1.930 373 A HA -0.010 4.313 4.320 0.004 0.000 0.217 373 A C 2.021 179.529 177.584 -0.126 0.000 1.175 373 A CA 1.555 53.550 52.037 -0.070 0.000 0.627 373 A CB -0.661 18.357 19.000 0.030 0.000 0.815 373 A HN 0.713 nan 8.150 nan 0.000 0.443 374 F N 0.655 120.425 119.950 -0.300 0.000 2.113 374 F HA -0.085 4.445 4.527 0.005 0.000 0.297 374 F C 1.855 177.303 175.800 -0.588 0.000 1.103 374 F CA 1.582 59.254 58.000 -0.547 0.000 1.248 374 F CB -0.344 38.279 39.000 -0.629 0.000 0.999 374 F HN 0.121 nan 8.300 nan 0.000 0.475 375 L N -0.071 120.710 121.223 -0.737 0.000 2.127 375 L HA -0.210 4.133 4.340 0.004 0.000 0.211 375 L C 1.248 177.714 176.870 -0.674 0.000 1.089 375 L CA 1.804 56.110 54.840 -0.891 0.000 0.757 375 L CB -0.651 40.749 42.059 -1.098 0.000 0.899 375 L HN 0.146 nan 8.230 nan 0.000 0.434 376 D N -0.562 119.554 120.400 -0.474 0.000 2.388 376 D HA -0.014 4.628 4.640 0.004 0.000 0.221 376 D C 1.915 178.128 176.300 -0.144 0.000 1.133 376 D CA -0.118 53.727 54.000 -0.257 0.000 0.831 376 D CB 0.271 40.958 40.800 -0.188 0.000 0.962 376 D HN 0.182 nan 8.370 nan 0.000 0.502 377 R N -0.720 119.623 120.500 -0.262 0.000 2.139 377 R HA -0.117 4.225 4.340 0.004 0.000 0.243 377 R C 1.290 177.600 176.300 0.017 0.000 1.145 377 R CA 1.272 57.306 56.100 -0.109 0.000 0.976 377 R CB -0.753 29.418 30.300 -0.215 0.000 0.866 377 R HN 0.097 nan 8.270 nan 0.000 0.449 378 V N 1.204 121.136 119.914 0.030 0.000 2.871 378 V HA -0.165 3.957 4.120 0.004 0.000 0.256 378 V C 2.301 178.477 176.094 0.136 0.000 1.082 378 V CA 1.846 64.234 62.300 0.147 0.000 1.105 378 V CB -0.795 31.192 31.823 0.273 0.000 0.713 378 V HN 0.476 nan 8.190 nan 0.000 0.473 379 H N 1.520 120.593 119.070 0.007 0.000 2.352 379 H HA -0.130 4.429 4.556 0.004 0.000 0.299 379 H C 2.219 177.469 175.328 -0.130 0.000 1.097 379 H CA 1.966 57.944 56.048 -0.117 0.000 1.311 379 H CB -0.525 29.162 29.762 -0.125 0.000 1.377 379 H HN 0.338 nan 8.280 nan 0.000 0.504 380 G N -0.031 108.705 108.800 -0.106 0.000 2.442 380 G HA2 -0.264 3.699 3.960 0.004 0.000 0.219 380 G HA3 -0.264 3.699 3.960 0.004 0.000 0.219 380 G C 1.578 176.391 174.900 -0.144 0.000 1.141 380 G CA 0.868 45.889 45.100 -0.132 0.000 0.763 380 G HN 0.558 nan 8.290 nan 0.000 0.554 381 E N -0.047 120.113 120.200 -0.067 0.000 2.072 381 E HA -0.095 4.257 4.350 0.004 0.000 0.191 381 E C 2.265 178.798 176.600 -0.111 0.000 0.985 381 E CA 0.916 57.318 56.400 0.004 0.000 0.801 381 E CB -0.094 29.689 29.700 0.138 0.000 0.750 381 E HN 0.645 nan 8.360 nan 0.000 0.452 382 E N 0.731 120.675 120.200 -0.426 0.000 2.017 382 E HA -0.192 4.160 4.350 0.004 0.000 0.193 382 E C 2.190 178.407 176.600 -0.637 0.000 0.997 382 E CA 1.454 57.242 56.400 -1.020 0.000 0.804 382 E CB 0.094 28.952 29.700 -1.404 0.000 0.757 382 E HN 0.020 nan 8.360 nan 0.000 0.448 383 V N 1.739 121.305 119.914 -0.580 0.000 2.250 383 V HA -0.362 3.761 4.120 0.004 0.000 0.250 383 V C 2.498 178.478 176.094 -0.190 0.000 1.060 383 V CA 2.119 64.190 62.300 -0.382 0.000 1.030 383 V CB -1.188 30.404 31.823 -0.386 0.000 0.643 383 V HN 0.504 nan 8.190 nan 0.000 0.445 384 A N 0.140 122.876 122.820 -0.141 0.000 1.837 384 A HA -0.232 4.091 4.320 0.004 0.000 0.216 384 A C 2.198 179.793 177.584 0.018 0.000 1.210 384 A CA 2.384 54.397 52.037 -0.039 0.000 0.632 384 A CB -0.914 18.082 19.000 -0.007 0.000 0.843 384 A HN 0.488 nan 8.150 nan 0.000 0.448 385 L N -0.474 120.796 121.223 0.078 0.000 2.137 385 L HA -0.265 4.078 4.340 0.004 0.000 0.213 385 L C 2.502 179.494 176.870 0.203 0.000 1.085 385 L CA 1.810 56.763 54.840 0.187 0.000 0.760 385 L CB -0.758 41.518 42.059 0.362 0.000 0.893 385 L HN 0.614 nan 8.230 nan 0.000 0.434 386 N N 0.469 119.256 118.700 0.145 0.000 2.244 386 N HA -0.213 4.529 4.740 0.004 0.000 0.183 386 N C 1.758 177.324 175.510 0.094 0.000 1.016 386 N CA 1.140 54.285 53.050 0.159 0.000 0.866 386 N CB 0.039 38.536 38.487 0.016 0.000 0.980 386 N HN 0.028 nan 8.380 nan 0.000 0.430 387 K N 0.387 120.815 120.400 0.046 0.000 2.148 387 K HA 0.104 4.426 4.320 0.004 0.000 0.204 387 K C 1.369 177.999 176.600 0.049 0.000 1.050 387 K CA 1.000 57.309 56.287 0.036 0.000 0.942 387 K CB -0.229 32.281 32.500 0.015 0.000 0.724 387 K HN 0.276 nan 8.250 nan 0.000 0.446 388 L N -0.529 120.732 121.223 0.063 0.000 2.599 388 L HA 0.191 4.534 4.340 0.004 0.000 0.230 388 L C 0.946 177.858 176.870 0.070 0.000 1.141 388 L CA 0.370 55.248 54.840 0.062 0.000 0.877 388 L CB -0.446 41.655 42.059 0.069 0.000 1.009 388 L HN 0.473 nan 8.230 nan 0.000 0.447 389 G N 0.780 109.632 108.800 0.087 0.000 2.198 389 G HA2 -0.285 3.678 3.960 0.004 0.000 0.260 389 G HA3 -0.285 3.678 3.960 0.004 0.000 0.260 389 G C 0.489 175.444 174.900 0.091 0.000 1.025 389 G CA 0.241 45.391 45.100 0.084 0.000 0.769 389 G HN 0.399 nan 8.290 nan 0.000 0.507 390 L N -1.454 119.853 121.223 0.141 0.000 2.857 390 L HA 0.322 4.665 4.340 0.004 0.000 0.249 390 L C 1.931 178.943 176.870 0.236 0.000 1.172 390 L CA -0.507 54.419 54.840 0.143 0.000 0.980 390 L CB -0.021 42.124 42.059 0.143 0.000 1.299 390 L HN 0.525 nan 8.230 nan 0.000 0.535 391 W N 1.173 122.523 121.300 0.083 0.000 2.728 391 W HA 0.110 4.771 4.660 0.002 0.000 0.270 391 W C 0.694 177.281 176.519 0.114 0.000 1.150 391 W CA -0.047 57.390 57.345 0.154 0.000 1.518 391 W CB 0.535 30.083 29.460 0.146 0.000 1.069 391 W HN -0.075 nan 8.180 nan 0.000 0.590 392 R N 2.114 122.687 120.500 0.121 0.000 4.138 392 R HA 0.146 4.488 4.340 0.004 0.000 0.206 392 R C -0.198 175.980 176.300 -0.204 0.000 1.667 392 R CA -0.072 55.992 56.100 -0.060 0.000 1.481 392 R CB 0.051 30.398 30.300 0.079 0.000 1.388 392 R HN -0.113 nan 8.270 nan 0.000 0.776 393 V N -2.000 117.642 119.914 -0.452 0.000 3.141 393 V HA 0.658 4.780 4.120 0.004 0.000 0.312 393 V C -2.763 172.826 176.094 -0.842 0.000 1.157 393 V CA -3.506 58.504 62.300 -0.483 0.000 1.041 393 V CB 2.282 33.898 31.823 -0.345 0.000 1.071 393 V HN 0.117 nan 8.190 nan 0.000 0.441 394 P HA 0.269 nan 4.420 nan 0.000 0.265 394 P C -1.105 175.760 177.300 -0.725 0.000 1.193 394 P CA 0.599 63.375 63.100 -0.541 0.000 0.765 394 P CB -0.141 31.391 31.700 -0.281 0.000 0.823 395 H N 3.726 122.529 119.070 -0.445 0.000 2.530 395 H HA 0.215 4.773 4.556 0.004 0.000 0.246 395 H C -1.881 173.296 175.328 -0.251 0.000 1.346 395 H CA -1.848 53.898 56.048 -0.504 0.000 1.424 395 H CB 0.530 29.535 29.762 -1.262 0.000 1.445 395 H HN 0.314 nan 8.280 nan 0.000 0.511 396 P HA -0.039 nan 4.420 nan 0.000 0.220 396 P C -0.596 176.979 177.300 0.460 0.000 1.806 396 P CA -0.325 62.882 63.100 0.178 0.000 0.976 396 P CB -0.146 31.611 31.700 0.094 0.000 1.952 397 W N 1.615 123.015 121.300 0.167 0.000 2.170 397 W HA 0.261 4.924 4.660 0.006 0.000 0.336 397 W C 0.385 176.981 176.519 0.129 0.000 1.283 397 W CA -0.339 57.102 57.345 0.159 0.000 1.224 397 W CB 0.022 29.541 29.460 0.098 0.000 1.132 397 W HN 0.089 nan 8.180 nan 0.000 0.571 398 L N 5.217 126.623 121.223 0.304 0.000 2.342 398 L HA 0.420 4.763 4.340 0.004 0.000 0.276 398 L C -0.790 176.134 176.870 0.090 0.000 0.997 398 L CA -0.392 54.563 54.840 0.191 0.000 0.838 398 L CB 0.321 42.531 42.059 0.251 0.000 1.224 398 L HN 0.264 nan 8.230 nan 0.000 0.416 399 N N 7.543 126.281 118.700 0.064 0.000 2.354 399 N HA 0.735 5.477 4.740 0.004 0.000 0.287 399 N C -1.021 174.461 175.510 -0.047 0.000 1.016 399 N CA -0.338 52.724 53.050 0.020 0.000 0.871 399 N CB 2.061 40.598 38.487 0.084 0.000 1.299 399 N HN 0.687 nan 8.380 nan 0.000 0.482 400 M N -0.728 118.785 119.600 -0.146 0.000 2.644 400 M HA 0.562 5.045 4.480 0.004 0.000 0.273 400 M C -1.841 174.289 176.300 -0.283 0.000 1.253 400 M CA -0.849 54.329 55.300 -0.202 0.000 0.852 400 M CB 1.813 34.359 32.600 -0.090 0.000 1.708 400 M HN -0.032 nan 8.290 nan 0.000 0.471 401 F N 1.158 121.089 119.950 -0.032 0.000 2.427 401 F HA 0.711 5.241 4.527 0.004 0.000 0.346 401 F C -0.386 175.375 175.800 -0.065 0.000 1.120 401 F CA -1.002 56.939 58.000 -0.098 0.000 1.033 401 F CB 2.041 40.821 39.000 -0.367 0.000 1.126 401 F HN 0.302 nan 8.300 nan 0.000 0.462 402 V N 5.555 125.574 119.914 0.175 0.000 2.487 402 V HA 0.412 4.535 4.120 0.004 0.000 0.298 402 V C -2.151 174.055 176.094 0.187 0.000 1.028 402 V CA -2.176 60.173 62.300 0.083 0.000 0.860 402 V CB 1.870 33.588 31.823 -0.175 0.000 0.991 402 V HN 0.499 nan 8.190 nan 0.000 0.427 403 P HA 0.052 nan 4.420 nan 0.000 0.266 403 P C 0.645 178.065 177.300 0.199 0.000 1.195 403 P CA -0.059 63.145 63.100 0.172 0.000 0.768 403 P CB 1.008 32.760 31.700 0.086 0.000 0.838 404 R N 2.994 123.646 120.500 0.253 0.000 2.103 404 R HA -0.163 4.180 4.340 0.004 0.000 0.242 404 R C 1.996 178.389 176.300 0.154 0.000 1.142 404 R CA 2.536 58.802 56.100 0.276 0.000 0.960 404 R CB -0.770 29.674 30.300 0.240 0.000 0.858 404 R HN 0.630 nan 8.270 nan 0.000 0.439 405 S N -0.154 115.614 115.700 0.114 0.000 2.469 405 S HA -0.048 4.425 4.470 0.004 0.000 0.238 405 S C 1.338 175.985 174.600 0.079 0.000 0.998 405 S CA 0.670 58.920 58.200 0.083 0.000 0.957 405 S CB 0.030 63.266 63.200 0.061 0.000 0.764 405 S HN 0.281 nan 8.310 nan 0.000 0.514 406 R N -0.429 120.123 120.500 0.086 0.000 2.543 406 R HA 0.436 4.778 4.340 0.004 0.000 0.323 406 R C 1.144 177.507 176.300 0.106 0.000 1.002 406 R CA -0.190 55.965 56.100 0.092 0.000 1.106 406 R CB -0.857 29.497 30.300 0.091 0.000 1.280 406 R HN 0.425 nan 8.270 nan 0.000 0.549 407 I N 1.460 122.067 120.570 0.061 0.000 2.315 407 I HA -0.131 4.041 4.170 0.004 0.000 0.248 407 I C 1.966 178.131 176.117 0.080 0.000 1.117 407 I CA 1.284 62.584 61.300 -0.001 0.000 1.404 407 I CB -0.074 37.729 38.000 -0.328 0.000 1.071 407 I HN 0.161 nan 8.210 nan 0.000 0.419 408 A N -0.293 122.618 122.820 0.152 0.000 1.933 408 A HA -0.198 4.124 4.320 0.004 0.000 0.218 408 A C 2.006 179.582 177.584 -0.014 0.000 1.175 408 A CA 1.974 54.076 52.037 0.108 0.000 0.628 408 A CB -0.760 18.357 19.000 0.196 0.000 0.814 408 A HN 0.446 nan 8.150 nan 0.000 0.444 409 D N -1.231 119.209 120.400 0.067 0.000 2.144 409 D HA -0.096 4.547 4.640 0.004 0.000 0.200 409 D C 1.589 177.967 176.300 0.131 0.000 0.978 409 D CA 0.954 55.015 54.000 0.102 0.000 0.833 409 D CB -0.390 40.488 40.800 0.131 0.000 0.961 409 D HN 0.474 nan 8.370 nan 0.000 0.470 410 F N 1.626 121.563 119.950 -0.022 0.000 2.134 410 F HA -0.205 4.325 4.527 0.004 0.000 0.299 410 F C 2.018 177.566 175.800 -0.420 0.000 1.097 410 F CA 1.654 59.595 58.000 -0.098 0.000 1.264 410 F CB -0.065 38.853 39.000 -0.136 0.000 1.001 410 F HN -0.156 nan 8.300 nan 0.000 0.479 411 D N -0.297 119.935 120.400 -0.279 0.000 2.104 411 D HA -0.203 4.439 4.640 0.004 0.000 0.194 411 D C 2.283 178.377 176.300 -0.345 0.000 0.994 411 D CA 1.688 55.430 54.000 -0.430 0.000 0.830 411 D CB -0.116 40.032 40.800 -1.086 0.000 0.959 411 D HN 0.240 nan 8.370 nan 0.000 0.452 412 R N -0.575 119.758 120.500 -0.279 0.000 2.075 412 R HA 0.023 4.365 4.340 0.004 0.000 0.232 412 R C 2.511 178.610 176.300 -0.334 0.000 1.126 412 R CA 1.293 57.270 56.100 -0.203 0.000 0.963 412 R CB -0.466 29.774 30.300 -0.100 0.000 0.858 412 R HN 0.273 nan 8.270 nan 0.000 0.435 413 G N -0.301 108.170 108.800 -0.547 0.000 2.464 413 G HA2 -0.077 3.886 3.960 0.004 0.000 0.217 413 G HA3 -0.077 3.886 3.960 0.004 0.000 0.217 413 G C 1.278 175.506 174.900 -1.121 0.000 1.138 413 G CA 0.355 44.813 45.100 -1.071 0.000 0.793 413 G HN 0.105 nan 8.290 nan 0.000 0.539 414 V N -0.214 119.057 119.914 -1.071 0.000 2.735 414 V HA 0.203 4.326 4.120 0.004 0.000 0.234 414 V C 2.212 177.996 176.094 -0.517 0.000 1.121 414 V CA 0.503 62.233 62.300 -0.950 0.000 1.160 414 V CB -0.714 30.217 31.823 -1.487 0.000 0.908 414 V HN 0.182 nan 8.190 nan 0.000 0.495 415 F N 1.324 121.113 119.950 -0.268 0.000 2.146 415 F HA -0.018 4.511 4.527 0.004 0.000 0.298 415 F C 2.149 177.877 175.800 -0.121 0.000 1.096 415 F CA 1.173 59.099 58.000 -0.123 0.000 1.275 415 F CB -0.641 38.346 39.000 -0.021 0.000 1.008 415 F HN 0.109 nan 8.300 nan 0.000 0.480 416 K N -0.723 119.680 120.400 0.006 0.000 2.374 416 K HA 0.245 4.567 4.320 0.004 0.000 0.196 416 K C 1.591 178.130 176.600 -0.101 0.000 1.023 416 K CA 0.466 56.738 56.287 -0.025 0.000 1.103 416 K CB 0.294 32.787 32.500 -0.012 0.000 0.848 416 K HN 0.329 nan 8.250 nan 0.000 0.528 417 G N 0.947 109.633 108.800 -0.190 0.000 2.542 417 G HA2 0.054 4.017 3.960 0.004 0.000 0.208 417 G HA3 0.054 4.017 3.960 0.004 0.000 0.208 417 G C 1.115 175.893 174.900 -0.203 0.000 1.976 417 G CA -0.370 44.597 45.100 -0.220 0.000 0.722 417 G HN -0.029 nan 8.290 nan 0.000 0.798 418 I N 0.677 121.075 120.570 -0.287 0.000 2.185 418 I HA -0.182 3.991 4.170 0.004 0.000 0.246 418 I C 2.440 178.471 176.117 -0.143 0.000 1.088 418 I CA 0.937 62.101 61.300 -0.227 0.000 1.347 418 I CB -0.107 37.717 38.000 -0.295 0.000 1.041 418 I HN 0.063 nan 8.210 nan 0.000 0.415 419 L N 0.019 121.177 121.223 -0.108 0.000 2.478 419 L HA 0.000 4.343 4.340 0.004 0.000 0.223 419 L C 1.133 177.999 176.870 -0.006 0.000 1.140 419 L CA 1.084 55.917 54.840 -0.012 0.000 0.842 419 L CB -0.849 41.269 42.059 0.098 0.000 0.953 419 L HN 0.220 nan 8.230 nan 0.000 0.452 420 Q N -0.131 119.648 119.800 -0.035 0.000 2.352 420 Q HA 0.356 4.698 4.340 0.004 0.000 0.260 420 Q C 1.229 177.212 176.000 -0.029 0.000 0.976 420 Q CA 0.849 56.636 55.803 -0.026 0.000 0.881 420 Q CB 0.501 29.217 28.738 -0.037 0.000 1.235 420 Q HN 0.385 nan 8.270 nan 0.000 0.419 421 G N 1.575 110.365 108.800 -0.018 0.000 2.157 421 G HA2 -0.257 3.705 3.960 0.004 0.000 0.248 421 G HA3 -0.257 3.705 3.960 0.004 0.000 0.248 421 G C 0.237 175.127 174.900 -0.016 0.000 0.979 421 G CA 0.499 45.587 45.100 -0.019 0.000 0.650 421 G HN 0.804 nan 8.290 nan 0.000 0.529 422 T N -2.060 112.490 114.554 -0.006 0.000 2.924 422 T HA 0.639 4.991 4.350 0.004 0.000 0.291 422 T C -1.155 173.560 174.700 0.024 0.000 1.045 422 T CA -0.615 61.485 62.100 -0.000 0.000 1.015 422 T CB 2.725 71.587 68.868 -0.009 0.000 1.103 422 T HN -0.036 nan 8.240 nan 0.000 0.496 423 D N 1.699 122.117 120.400 0.029 0.000 2.317 423 D HA 0.407 5.050 4.640 0.004 0.000 0.234 423 D C -0.293 176.055 176.300 0.079 0.000 1.112 423 D CA -0.144 53.884 54.000 0.046 0.000 0.840 423 D CB 1.220 42.042 40.800 0.036 0.000 1.078 423 D HN 0.519 nan 8.370 nan 0.000 0.486 424 I N 2.078 122.709 120.570 0.101 0.000 2.339 424 I HA 0.208 4.380 4.170 0.004 0.000 0.290 424 I C -0.253 175.942 176.117 0.130 0.000 0.994 424 I CA -0.840 60.549 61.300 0.148 0.000 1.191 424 I CB 1.756 39.851 38.000 0.159 0.000 1.343 424 I HN -0.081 nan 8.210 nan 0.000 0.458 425 V N 5.575 125.579 119.914 0.150 0.000 2.378 425 V HA 0.889 5.012 4.120 0.004 0.000 0.288 425 V C 0.240 176.418 176.094 0.139 0.000 1.016 425 V CA -0.416 61.965 62.300 0.135 0.000 0.840 425 V CB 1.052 32.952 31.823 0.129 0.000 0.994 425 V HN 1.052 nan 8.190 nan 0.000 0.431 426 G N 6.231 115.090 108.800 0.099 0.000 2.453 426 G HA2 0.115 4.077 3.960 0.004 0.000 0.665 426 G HA3 0.115 4.077 3.960 0.004 0.000 0.665 426 G C -3.318 171.542 174.900 -0.067 0.000 1.411 426 G CA -0.891 44.235 45.100 0.044 0.000 0.889 426 G HN 0.566 nan 8.290 nan 0.000 0.651 427 P HA 0.489 nan 4.420 nan 0.000 0.275 427 P C -0.259 176.864 177.300 -0.295 0.000 1.228 427 P CA -0.327 62.668 63.100 -0.175 0.000 0.786 427 P CB 1.084 32.722 31.700 -0.104 0.000 0.927 428 L N 3.662 124.699 121.223 -0.311 0.000 2.324 428 L HA 0.472 4.814 4.340 0.004 0.000 0.274 428 L C 0.254 176.993 176.870 -0.217 0.000 1.012 428 L CA -0.569 54.099 54.840 -0.286 0.000 0.859 428 L CB 0.719 42.600 42.059 -0.296 0.000 1.224 428 L HN 0.245 nan 8.230 nan 0.000 0.429 429 I N 3.537 124.048 120.570 -0.099 0.000 2.392 429 I HA 0.530 4.703 4.170 0.004 0.000 0.295 429 I C -0.435 175.770 176.117 0.146 0.000 0.985 429 I CA -0.772 60.560 61.300 0.053 0.000 1.221 429 I CB 2.089 40.155 38.000 0.111 0.000 1.366 429 I HN 0.185 nan 8.210 nan 0.000 0.467 430 V N 7.016 127.098 119.914 0.280 0.000 2.711 430 V HA 0.498 4.620 4.120 0.004 0.000 0.304 430 V C -1.380 174.997 176.094 0.470 0.000 1.097 430 V CA -0.682 61.820 62.300 0.336 0.000 0.906 430 V CB 1.725 33.815 31.823 0.445 0.000 1.015 430 V HN 0.696 nan 8.190 nan 0.000 0.427 431 Y N 3.891 124.348 120.300 0.262 0.000 2.565 431 Y HA 0.824 5.377 4.550 0.004 0.000 0.330 431 Y C -3.240 172.485 175.900 -0.291 0.000 1.150 431 Y CA -2.559 55.547 58.100 0.009 0.000 1.055 431 Y CB 1.881 40.298 38.460 -0.072 0.000 1.337 431 Y HN 0.426 nan 8.280 nan 0.000 0.457 432 P HA 0.429 nan 4.420 nan 0.000 0.277 432 P C -1.085 175.977 177.300 -0.396 0.000 1.240 432 P CA -0.133 62.425 63.100 -0.903 0.000 0.798 432 P CB 2.286 33.368 31.700 -1.029 0.000 0.979 433 L N 2.085 122.992 121.223 -0.527 0.000 2.371 433 L HA 0.470 4.812 4.340 0.004 0.000 0.262 433 L C 0.213 176.746 176.870 -0.563 0.000 1.006 433 L CA -0.888 53.691 54.840 -0.436 0.000 0.818 433 L CB 1.996 43.696 42.059 -0.599 0.000 1.354 433 L HN 0.250 nan 8.230 nan 0.000 0.415 434 N N 1.524 120.078 118.700 -0.243 0.000 2.437 434 N HA 0.150 4.893 4.740 0.004 0.000 0.259 434 N C 0.366 175.853 175.510 -0.039 0.000 0.983 434 N CA -0.333 52.638 53.050 -0.131 0.000 0.937 434 N CB 2.373 40.910 38.487 0.083 0.000 1.122 434 N HN 0.572 nan 8.380 nan 0.000 0.499 435 K N 1.403 121.749 120.400 -0.090 0.000 2.211 435 K HA -0.154 4.169 4.320 0.004 0.000 0.204 435 K C 1.576 178.318 176.600 0.237 0.000 1.047 435 K CA 1.359 57.725 56.287 0.131 0.000 0.935 435 K CB 0.135 32.728 32.500 0.155 0.000 0.728 435 K HN 0.555 nan 8.250 nan 0.000 0.452 436 S N 0.073 115.869 115.700 0.161 0.000 2.440 436 S HA -0.132 4.340 4.470 0.004 0.000 0.238 436 S C 1.648 176.343 174.600 0.157 0.000 1.010 436 S CA 0.934 59.224 58.200 0.148 0.000 0.972 436 S CB -0.122 63.154 63.200 0.126 0.000 0.774 436 S HN 0.239 nan 8.310 nan 0.000 0.501 437 M N -0.362 119.346 119.600 0.180 0.000 2.495 437 M HA 0.333 4.816 4.480 0.004 0.000 0.237 437 M C -0.816 175.470 176.300 -0.023 0.000 1.131 437 M CA -0.135 55.194 55.300 0.048 0.000 1.032 437 M CB -0.976 31.579 32.600 -0.074 0.000 1.513 437 M HN 0.389 nan 8.290 nan 0.000 0.488 438 W N 0.742 122.053 121.300 0.020 0.000 2.478 438 W HA 0.317 4.980 4.660 0.004 0.000 0.318 438 W C 0.017 176.566 176.519 0.049 0.000 1.062 438 W CA -0.861 56.507 57.345 0.039 0.000 1.210 438 W CB 0.654 30.150 29.460 0.060 0.000 1.325 438 W HN -0.079 nan 8.180 nan 0.000 0.496 439 D N 2.364 122.899 120.400 0.224 0.000 2.396 439 D HA -0.000 4.642 4.640 0.004 0.000 0.225 439 D C 0.594 177.013 176.300 0.198 0.000 1.121 439 D CA 0.063 54.165 54.000 0.170 0.000 0.853 439 D CB 0.839 41.709 40.800 0.117 0.000 1.043 439 D HN 0.434 nan 8.370 nan 0.000 0.500 440 D N 1.921 122.427 120.400 0.177 0.000 2.392 440 D HA -0.009 4.633 4.640 0.004 0.000 0.228 440 D C 1.870 178.259 176.300 0.149 0.000 1.003 440 D CA 0.752 54.849 54.000 0.161 0.000 0.917 440 D CB 0.150 41.022 40.800 0.118 0.000 0.890 440 D HN 0.584 nan 8.370 nan 0.000 0.532 441 G N -0.487 108.393 108.800 0.134 0.000 2.511 441 G HA2 -0.019 3.944 3.960 0.004 0.000 0.217 441 G HA3 -0.019 3.944 3.960 0.004 0.000 0.217 441 G C 0.824 175.801 174.900 0.128 0.000 1.133 441 G CA -0.065 45.105 45.100 0.117 0.000 0.792 441 G HN 0.218 nan 8.290 nan 0.000 0.539 442 M N 0.195 119.882 119.600 0.145 0.000 2.114 442 M HA 0.194 4.676 4.480 0.004 0.000 0.293 442 M C 1.787 178.234 176.300 0.246 0.000 1.201 442 M CA -0.287 55.102 55.300 0.148 0.000 1.107 442 M CB 1.104 33.777 32.600 0.123 0.000 1.405 442 M HN -0.051 nan 8.290 nan 0.000 0.486 443 S N 0.450 116.338 115.700 0.314 0.000 2.453 443 S HA 0.068 4.540 4.470 0.004 0.000 0.231 443 S C 0.711 175.644 174.600 0.555 0.000 1.005 443 S CA 0.344 58.853 58.200 0.515 0.000 0.949 443 S CB -0.323 63.306 63.200 0.715 0.000 0.774 443 S HN 0.745 nan 8.310 nan 0.000 0.510 444 A N 1.470 124.563 122.820 0.456 0.000 2.540 444 A HA 0.554 4.876 4.320 0.004 0.000 0.239 444 A C 0.315 178.100 177.584 0.334 0.000 1.061 444 A CA 0.040 52.356 52.037 0.465 0.000 0.758 444 A CB -0.012 19.317 19.000 0.548 0.000 0.991 444 A HN 0.431 nan 8.150 nan 0.000 0.502 445 A N 2.482 125.424 122.820 0.203 0.000 2.317 445 A HA 0.823 5.145 4.320 0.004 0.000 0.327 445 A C 0.315 177.769 177.584 -0.218 0.000 1.178 445 A CA 0.193 52.195 52.037 -0.058 0.000 0.817 445 A CB 0.802 19.565 19.000 -0.394 0.000 1.189 445 A HN 1.812 nan 8.150 nan 0.000 0.489 446 T N -0.088 114.234 114.554 -0.387 0.000 2.864 446 T HA 0.756 5.108 4.350 0.004 0.000 0.299 446 T C -3.150 171.143 174.700 -0.678 0.000 1.166 446 T CA -1.755 59.856 62.100 -0.815 0.000 1.007 446 T CB 1.247 69.350 68.868 -1.276 0.000 1.219 446 T HN 0.313 nan 8.240 nan 0.000 0.506 447 P HA 0.169 nan 4.420 nan 0.000 0.271 447 P C 0.970 178.087 177.300 -0.305 0.000 1.233 447 P CA -0.351 62.462 63.100 -0.479 0.000 0.789 447 P CB 0.422 31.863 31.700 -0.431 0.000 0.951 448 S N -1.451 114.160 115.700 -0.148 0.000 2.470 448 S HA -0.006 4.466 4.470 0.004 0.000 0.225 448 S C 0.546 175.145 174.600 -0.001 0.000 1.006 448 S CA 0.223 58.383 58.200 -0.066 0.000 0.934 448 S CB -0.569 62.603 63.200 -0.047 0.000 0.778 448 S HN 0.417 nan 8.310 nan 0.000 0.517 449 E N 1.562 121.778 120.200 0.027 0.000 2.404 449 E HA 0.056 4.408 4.350 0.004 0.000 0.261 449 E C 0.109 176.776 176.600 0.112 0.000 1.074 449 E CA -0.120 56.323 56.400 0.072 0.000 0.917 449 E CB 0.375 30.127 29.700 0.087 0.000 0.965 449 E HN 0.231 nan 8.360 nan 0.000 0.433 450 D N 0.472 120.912 120.400 0.066 0.000 2.178 450 D HA -0.068 4.574 4.640 0.004 0.000 0.201 450 D C 0.114 176.404 176.300 -0.016 0.000 0.980 450 D CA 0.997 55.022 54.000 0.042 0.000 0.842 450 D CB 0.274 41.089 40.800 0.025 0.000 0.948 450 D HN 0.015 nan 8.370 nan 0.000 0.472 451 V N 1.158 121.064 119.914 -0.015 0.000 2.588 451 V HA 0.423 4.546 4.120 0.004 0.000 0.304 451 V C -0.647 175.432 176.094 -0.026 0.000 1.042 451 V CA -0.944 61.272 62.300 -0.140 0.000 0.877 451 V CB 1.719 33.482 31.823 -0.099 0.000 0.996 451 V HN -0.001 nan 8.190 nan 0.000 0.425 452 F N 2.749 122.620 119.950 -0.131 0.000 2.613 452 F HA 0.815 5.344 4.527 0.004 0.000 0.310 452 F C -1.591 174.149 175.800 -0.100 0.000 1.085 452 F CA -1.556 56.408 58.000 -0.061 0.000 0.945 452 F CB 1.218 40.120 39.000 -0.165 0.000 1.298 452 F HN 0.322 nan 8.300 nan 0.000 0.455 453 Y N 1.687 122.079 120.300 0.153 0.000 2.323 453 Y HA 0.674 5.227 4.550 0.004 0.000 0.331 453 Y C 0.413 176.386 175.900 0.122 0.000 1.092 453 Y CA -0.951 57.173 58.100 0.039 0.000 1.150 453 Y CB 1.708 40.168 38.460 0.000 0.000 1.200 453 Y HN 0.984 nan 8.280 nan 0.000 0.472 454 A N 3.060 125.890 122.820 0.017 0.000 2.328 454 A HA 0.633 4.956 4.320 0.004 0.000 0.284 454 A C -0.984 176.512 177.584 -0.147 0.000 1.160 454 A CA -0.471 51.540 52.037 -0.043 0.000 0.818 454 A CB 0.093 18.816 19.000 -0.462 0.000 1.087 454 A HN 0.537 nan 8.150 nan 0.000 0.504 455 V N 2.789 122.647 119.914 -0.093 0.000 2.443 455 V HA 0.436 4.558 4.120 0.004 0.000 0.293 455 V C -0.131 175.934 176.094 -0.048 0.000 1.021 455 V CA -0.311 61.958 62.300 -0.053 0.000 0.848 455 V CB 1.671 33.391 31.823 -0.172 0.000 0.998 455 V HN 0.843 nan 8.190 nan 0.000 0.424 456 S N 6.316 121.997 115.700 -0.030 0.000 2.669 456 S HA 0.586 5.059 4.470 0.004 0.000 0.315 456 S C -0.450 174.028 174.600 -0.203 0.000 1.106 456 S CA -0.467 57.677 58.200 -0.094 0.000 1.107 456 S CB 0.778 63.925 63.200 -0.088 0.000 0.990 456 S HN 0.548 nan 8.310 nan 0.000 0.471 457 L N 4.401 125.473 121.223 -0.251 0.000 2.287 457 L HA 0.414 4.756 4.340 0.004 0.000 0.280 457 L C -0.293 176.085 176.870 -0.819 0.000 1.055 457 L CA -0.351 54.154 54.840 -0.558 0.000 0.863 457 L CB 0.233 42.020 42.059 -0.454 0.000 1.245 457 L HN 0.494 nan 8.230 nan 0.000 0.432 458 L N 3.878 124.558 121.223 -0.906 0.000 2.536 458 L HA 0.281 4.624 4.340 0.004 0.000 0.242 458 L C -0.218 176.375 176.870 -0.461 0.000 1.280 458 L CA -0.332 53.769 54.840 -1.231 0.000 1.221 458 L CB -0.845 40.384 42.059 -1.384 0.000 1.449 458 L HN 0.384 nan 8.230 nan 0.000 0.405 459 F N -0.019 119.984 119.950 0.088 0.000 2.529 459 F HA 0.104 4.633 4.527 0.004 0.000 0.365 459 F C 1.146 177.165 175.800 0.366 0.000 1.102 459 F CA 0.392 58.516 58.000 0.207 0.000 1.271 459 F CB 0.559 39.653 39.000 0.157 0.000 1.120 459 F HN 0.144 nan 8.300 nan 0.000 0.579 460 S N 1.164 117.112 115.700 0.414 0.000 2.473 460 S HA 0.232 4.704 4.470 0.004 0.000 0.307 460 S C -0.016 174.647 174.600 0.104 0.000 1.094 460 S CA -0.752 57.598 58.200 0.250 0.000 1.070 460 S CB 1.549 64.884 63.200 0.224 0.000 1.019 460 S HN 0.575 nan 8.310 nan 0.000 0.480 461 S N 3.379 119.062 115.700 -0.029 0.000 4.120 461 S HA 0.108 4.581 4.470 0.004 0.000 0.196 461 S C 1.401 175.962 174.600 -0.065 0.000 1.447 461 S CA -0.624 57.546 58.200 -0.050 0.000 0.939 461 S CB -1.101 62.038 63.200 -0.101 0.000 1.496 461 S HN 0.628 nan 8.310 nan 0.000 0.460 462 V N 1.623 121.529 119.914 -0.014 0.000 2.379 462 V HA 0.206 4.329 4.120 0.004 0.000 0.245 462 V C 1.500 177.588 176.094 -0.010 0.000 1.044 462 V CA 0.990 63.286 62.300 -0.007 0.000 1.036 462 V CB -1.698 30.148 31.823 0.038 0.000 0.664 462 V HN 0.729 nan 8.190 nan 0.000 0.453 463 A N 1.507 124.325 122.820 -0.004 0.000 2.325 463 A HA 0.485 4.808 4.320 0.004 0.000 0.260 463 A C -1.038 176.532 177.584 -0.024 0.000 1.133 463 A CA -0.487 51.545 52.037 -0.008 0.000 0.801 463 A CB -0.944 18.053 19.000 -0.005 0.000 1.092 463 A HN 0.443 nan 8.150 nan 0.000 0.504 464 P HA -0.058 nan 4.420 nan 0.000 0.316 464 P C -0.231 177.046 177.300 -0.039 0.000 1.413 464 P CA -0.086 62.996 63.100 -0.030 0.000 0.828 464 P CB 0.041 31.727 31.700 -0.024 0.000 1.787 465 N N 1.005 119.682 118.700 -0.039 0.000 2.950 465 N HA -0.074 4.668 4.740 0.004 0.000 0.313 465 N C 0.192 175.674 175.510 -0.045 0.000 1.213 465 N CA 0.631 53.654 53.050 -0.045 0.000 1.184 465 N CB -0.904 37.559 38.487 -0.040 0.000 1.454 465 N HN 0.390 nan 8.380 nan 0.000 0.532 466 D N 0.112 120.483 120.400 -0.048 0.000 2.369 466 D HA -0.017 4.625 4.640 0.004 0.000 0.211 466 D C 1.546 177.809 176.300 -0.063 0.000 1.077 466 D CA -0.276 53.694 54.000 -0.050 0.000 0.842 466 D CB 0.285 41.062 40.800 -0.038 0.000 0.947 466 D HN 0.176 nan 8.370 nan 0.000 0.509 467 L N 0.619 121.803 121.223 -0.066 0.000 2.046 467 L HA 0.105 4.448 4.340 0.004 0.000 0.208 467 L C 2.123 178.949 176.870 -0.073 0.000 1.077 467 L CA 2.064 56.860 54.840 -0.073 0.000 0.747 467 L CB -0.950 41.062 42.059 -0.078 0.000 0.896 467 L HN 0.074 nan 8.230 nan 0.000 0.432 468 A N -0.234 122.547 122.820 -0.066 0.000 1.902 468 A HA -0.258 4.064 4.320 0.004 0.000 0.217 468 A C 2.552 180.091 177.584 -0.076 0.000 1.181 468 A CA 1.829 53.828 52.037 -0.063 0.000 0.623 468 A CB -0.692 18.276 19.000 -0.053 0.000 0.818 468 A HN 0.539 nan 8.150 nan 0.000 0.443 469 R N -0.332 120.119 120.500 -0.081 0.000 2.083 469 R HA -0.099 4.244 4.340 0.004 0.000 0.237 469 R C 2.011 178.228 176.300 -0.139 0.000 1.137 469 R CA 1.742 57.783 56.100 -0.098 0.000 0.951 469 R CB -0.441 29.804 30.300 -0.092 0.000 0.851 469 R HN 0.513 nan 8.270 nan 0.000 0.434 470 L N 0.563 121.691 121.223 -0.158 0.000 2.046 470 L HA -0.209 4.134 4.340 0.004 0.000 0.208 470 L C 2.716 179.470 176.870 -0.194 0.000 1.077 470 L CA 1.559 56.254 54.840 -0.242 0.000 0.747 470 L CB -0.408 41.529 42.059 -0.204 0.000 0.896 470 L HN 0.350 nan 8.230 nan 0.000 0.432 471 Q N -0.513 119.217 119.800 -0.118 0.000 2.084 471 Q HA -0.260 4.083 4.340 0.004 0.000 0.202 471 Q C 2.119 178.066 176.000 -0.088 0.000 0.978 471 Q CA 1.586 57.338 55.803 -0.084 0.000 0.844 471 Q CB -0.076 28.624 28.738 -0.064 0.000 0.898 471 Q HN 0.324 nan 8.270 nan 0.000 0.426 472 E N 1.120 121.264 120.200 -0.093 0.000 2.106 472 E HA -0.219 4.133 4.350 0.004 0.000 0.192 472 E C 1.876 178.416 176.600 -0.101 0.000 0.984 472 E CA 1.247 57.597 56.400 -0.084 0.000 0.806 472 E CB -0.011 29.643 29.700 -0.076 0.000 0.750 472 E HN 0.310 nan 8.360 nan 0.000 0.458 473 Q N -0.152 119.562 119.800 -0.143 0.000 2.084 473 Q HA -0.180 4.163 4.340 0.004 0.000 0.202 473 Q C 1.539 177.452 176.000 -0.146 0.000 0.978 473 Q CA 1.647 57.346 55.803 -0.173 0.000 0.844 473 Q CB -0.080 28.494 28.738 -0.274 0.000 0.898 473 Q HN 0.245 nan 8.270 nan 0.000 0.426 474 N N 0.388 119.009 118.700 -0.130 0.000 2.188 474 N HA -0.115 4.627 4.740 0.004 0.000 0.184 474 N C 1.623 177.104 175.510 -0.050 0.000 1.018 474 N CA 1.094 54.110 53.050 -0.057 0.000 0.858 474 N CB -0.198 38.284 38.487 -0.009 0.000 0.989 474 N HN 0.271 nan 8.380 nan 0.000 0.426 475 R N 0.644 121.111 120.500 -0.055 0.000 2.096 475 R HA 0.004 4.347 4.340 0.004 0.000 0.235 475 R C 2.239 178.517 176.300 -0.036 0.000 1.127 475 R CA 0.782 56.857 56.100 -0.042 0.000 0.968 475 R CB -0.137 30.138 30.300 -0.041 0.000 0.861 475 R HN 0.220 nan 8.270 nan 0.000 0.440 476 R N 1.017 121.488 120.500 -0.050 0.000 2.092 476 R HA -0.084 4.259 4.340 0.004 0.000 0.231 476 R C 2.122 178.408 176.300 -0.023 0.000 1.119 476 R CA 1.255 57.331 56.100 -0.041 0.000 0.970 476 R CB -0.139 30.120 30.300 -0.070 0.000 0.864 476 R HN 0.179 nan 8.270 nan 0.000 0.440 477 I N 0.755 121.292 120.570 -0.056 0.000 2.202 477 I HA -0.301 3.872 4.170 0.004 0.000 0.242 477 I C 2.156 178.271 176.117 -0.003 0.000 1.091 477 I CA 1.164 62.427 61.300 -0.060 0.000 1.368 477 I CB -0.182 37.766 38.000 -0.086 0.000 1.058 477 I HN 0.234 nan 8.210 nan 0.000 0.410 478 L N 0.158 121.349 121.223 -0.052 0.000 2.083 478 L HA -0.207 4.135 4.340 0.004 0.000 0.209 478 L C 2.761 179.629 176.870 -0.004 0.000 1.083 478 L CA 1.261 56.040 54.840 -0.102 0.000 0.752 478 L CB -0.585 41.434 42.059 -0.067 0.000 0.899 478 L HN 0.231 nan 8.230 nan 0.000 0.433 479 R N 0.025 120.536 120.500 0.017 0.000 2.075 479 R HA -0.222 4.121 4.340 0.004 0.000 0.232 479 R C 2.428 178.740 176.300 0.020 0.000 1.126 479 R CA 1.625 57.739 56.100 0.023 0.000 0.963 479 R CB -0.355 29.953 30.300 0.014 0.000 0.858 479 R HN 0.259 nan 8.270 nan 0.000 0.435 480 F N 0.684 120.586 119.950 -0.080 0.000 2.126 480 F HA -0.263 4.267 4.527 0.004 0.000 0.299 480 F C 2.008 177.774 175.800 -0.057 0.000 1.096 480 F CA 1.491 59.435 58.000 -0.094 0.000 1.255 480 F CB -0.640 38.259 39.000 -0.168 0.000 0.997 480 F HN 0.043 nan 8.300 nan 0.000 0.479 481 C N 0.991 120.117 119.300 -0.290 0.000 2.446 481 C HA -0.147 4.316 4.460 0.004 0.000 0.277 481 C C 2.523 177.450 174.990 -0.106 0.000 1.275 481 C CA 1.126 59.984 59.018 -0.266 0.000 1.727 481 C CB -1.138 26.610 27.740 0.013 0.000 2.010 481 C HN 0.526 nan 8.230 nan 0.000 0.486 482 D N 1.012 121.420 120.400 0.013 0.000 2.097 482 D HA -0.096 4.546 4.640 0.004 0.000 0.195 482 D C 2.050 178.300 176.300 -0.083 0.000 0.989 482 D CA 1.148 55.159 54.000 0.018 0.000 0.827 482 D CB -0.511 40.312 40.800 0.039 0.000 0.966 482 D HN 0.437 nan 8.370 nan 0.000 0.456 483 L N 0.527 121.671 121.223 -0.131 0.000 2.191 483 L HA -0.092 4.250 4.340 0.004 0.000 0.212 483 L C 2.221 178.978 176.870 -0.187 0.000 1.103 483 L CA 0.877 55.636 54.840 -0.136 0.000 0.769 483 L CB -0.261 41.730 42.059 -0.112 0.000 0.908 483 L HN -0.032 nan 8.230 nan 0.000 0.438 484 A N -0.588 122.036 122.820 -0.326 0.000 2.251 484 A HA 0.297 4.620 4.320 0.004 0.000 0.209 484 A C 1.685 179.162 177.584 -0.180 0.000 1.187 484 A CA 0.643 52.490 52.037 -0.315 0.000 0.823 484 A CB -0.346 18.290 19.000 -0.606 0.000 0.846 484 A HN 0.486 nan 8.150 nan 0.000 0.486 485 G N -0.422 108.296 108.800 -0.136 0.000 2.160 485 G HA2 -0.229 3.734 3.960 0.004 0.000 0.251 485 G HA3 -0.229 3.734 3.960 0.004 0.000 0.251 485 G C 0.047 174.913 174.900 -0.056 0.000 1.008 485 G CA 0.278 45.329 45.100 -0.082 0.000 0.724 485 G HN 0.500 nan 8.290 nan 0.000 0.514 486 I N 0.897 121.447 120.570 -0.033 0.000 2.379 486 I HA 0.118 4.291 4.170 0.004 0.000 0.290 486 I C 0.671 176.822 176.117 0.056 0.000 1.063 486 I CA -0.274 61.056 61.300 0.049 0.000 1.351 486 I CB 1.007 39.084 38.000 0.128 0.000 1.410 486 I HN 0.014 nan 8.210 nan 0.000 0.505 487 Q N 7.387 127.172 119.800 -0.024 0.000 3.184 487 Q HA 0.088 4.431 4.340 0.004 0.000 0.288 487 Q C -0.558 175.358 176.000 -0.141 0.000 1.412 487 Q CA -0.109 55.609 55.803 -0.142 0.000 0.991 487 Q CB -0.552 28.114 28.738 -0.119 0.000 1.688 487 Q HN 0.518 nan 8.270 nan 0.000 0.554 488 Y N -1.143 119.127 120.300 -0.051 0.000 2.289 488 Y HA 0.571 5.123 4.550 0.004 0.000 0.332 488 Y C 0.064 175.920 175.900 -0.073 0.000 1.324 488 Y CA -0.951 57.119 58.100 -0.050 0.000 1.478 488 Y CB 0.874 39.327 38.460 -0.012 0.000 1.378 488 Y HN -0.182 nan 8.280 nan 0.000 0.558 489 K N 1.515 121.990 120.400 0.126 0.000 2.471 489 K HA 0.270 4.593 4.320 0.004 0.000 0.252 489 K C -0.870 175.853 176.600 0.204 0.000 0.938 489 K CA -0.529 55.783 56.287 0.043 0.000 0.796 489 K CB 1.811 34.275 32.500 -0.060 0.000 1.161 489 K HN 0.977 nan 8.250 nan 0.000 0.425 490 T N -0.488 114.246 114.554 0.301 0.000 2.904 490 T HA 0.419 4.772 4.350 0.004 0.000 0.290 490 T C -0.307 174.521 174.700 0.213 0.000 1.018 490 T CA -0.362 61.866 62.100 0.214 0.000 1.075 490 T CB 0.773 69.760 68.868 0.197 0.000 0.986 490 T HN 0.429 nan 8.240 nan 0.000 0.523 491 Y N 1.951 122.192 120.300 -0.097 0.000 2.512 491 Y HA 0.488 5.041 4.550 0.005 0.000 0.348 491 Y C 0.392 176.282 175.900 -0.018 0.000 0.990 491 Y CA -2.194 55.854 58.100 -0.086 0.000 1.033 491 Y CB 1.042 39.270 38.460 -0.385 0.000 1.259 491 Y HN 0.783 nan 8.280 nan 0.000 0.461 492 L N 2.157 123.103 121.223 -0.461 0.000 4.625 492 L HA -0.281 4.062 4.340 0.004 0.000 0.428 492 L C -0.074 176.705 176.870 -0.152 0.000 1.129 492 L CA 1.008 55.631 54.840 -0.362 0.000 0.978 492 L CB -1.735 40.095 42.059 -0.381 0.000 2.043 492 L HN 0.697 nan 8.230 nan 0.000 0.847 493 A N 0.433 123.165 122.820 -0.147 0.000 2.337 493 A HA 0.858 5.181 4.320 0.004 0.000 0.331 493 A C 0.103 177.498 177.584 -0.315 0.000 1.137 493 A CA -0.486 51.410 52.037 -0.236 0.000 0.807 493 A CB 1.269 20.078 19.000 -0.319 0.000 1.250 493 A HN 0.330 nan 8.150 nan 0.000 0.468 494 R N 0.662 120.964 120.500 -0.330 0.000 2.637 494 R HA 0.724 5.066 4.340 0.004 0.000 0.291 494 R C -1.473 174.504 176.300 -0.539 0.000 0.963 494 R CA -0.527 55.474 56.100 -0.165 0.000 0.901 494 R CB 0.695 31.064 30.300 0.115 0.000 1.160 494 R HN 0.715 nan 8.270 nan 0.000 0.457 495 H N 0.313 119.052 119.070 -0.551 0.000 2.457 495 H HA 0.267 4.825 4.556 0.004 0.000 0.335 495 H C 0.247 175.488 175.328 -0.144 0.000 1.115 495 H CA -0.454 55.259 56.048 -0.559 0.000 1.219 495 H CB 2.116 31.219 29.762 -1.099 0.000 1.471 495 H HN 0.888 nan 8.280 nan 0.000 0.491 496 T N -1.892 112.667 114.554 0.007 0.000 3.144 496 T HA 0.064 4.417 4.350 0.004 0.000 0.249 496 T C 0.153 174.891 174.700 0.064 0.000 1.089 496 T CA -0.208 61.932 62.100 0.066 0.000 0.989 496 T CB -0.237 68.648 68.868 0.029 0.000 0.992 496 T HN 0.494 nan 8.240 nan 0.000 0.540 497 D N 0.140 120.561 120.400 0.035 0.000 2.757 497 D HA 0.449 5.091 4.640 0.004 0.000 0.249 497 D C 0.998 177.302 176.300 0.007 0.000 1.168 497 D CA -0.841 53.167 54.000 0.013 0.000 0.870 497 D CB 1.888 42.671 40.800 -0.028 0.000 1.411 497 D HN -0.158 nan 8.370 nan 0.000 0.525 498 R N 2.273 122.788 120.500 0.026 0.000 2.113 498 R HA -0.193 4.150 4.340 0.004 0.000 0.244 498 R C 1.729 177.934 176.300 -0.160 0.000 1.142 498 R CA 2.621 58.704 56.100 -0.028 0.000 0.953 498 R CB -0.914 29.376 30.300 -0.017 0.000 0.860 498 R HN 0.480 nan 8.270 nan 0.000 0.438 499 S N -0.272 115.347 115.700 -0.135 0.000 2.419 499 S HA -0.140 4.332 4.470 0.004 0.000 0.235 499 S C 1.454 175.923 174.600 -0.219 0.000 1.019 499 S CA 1.392 59.491 58.200 -0.169 0.000 0.982 499 S CB -0.344 62.791 63.200 -0.108 0.000 0.789 499 S HN 0.371 nan 8.310 nan 0.000 0.490 500 D N 0.547 120.801 120.400 -0.244 0.000 2.123 500 D HA -0.005 4.637 4.640 0.004 0.000 0.200 500 D C 1.440 177.393 176.300 -0.579 0.000 0.976 500 D CA 0.859 54.620 54.000 -0.399 0.000 0.831 500 D CB -0.380 40.176 40.800 -0.406 0.000 0.974 500 D HN 0.613 nan 8.370 nan 0.000 0.469 501 W N 0.976 121.983 121.300 -0.487 0.000 2.388 501 W HA -0.124 4.539 4.660 0.004 0.000 0.294 501 W C 2.390 178.679 176.519 -0.383 0.000 1.212 501 W CA 0.207 57.276 57.345 -0.461 0.000 1.271 501 W CB -0.179 29.057 29.460 -0.373 0.000 1.126 501 W HN -0.200 nan 8.180 nan 0.000 0.535 502 V N 0.398 120.083 119.914 -0.382 0.000 2.358 502 V HA -0.282 3.841 4.120 0.004 0.000 0.246 502 V C 2.115 178.138 176.094 -0.119 0.000 1.047 502 V CA 1.780 63.819 62.300 -0.435 0.000 1.035 502 V CB -0.719 30.774 31.823 -0.550 0.000 0.658 502 V HN 0.150 nan 8.190 nan 0.000 0.452 503 R N -1.156 119.242 120.500 -0.169 0.000 2.115 503 R HA -0.119 4.224 4.340 0.004 0.000 0.230 503 R C 2.397 178.600 176.300 -0.161 0.000 1.111 503 R CA 1.150 57.158 56.100 -0.154 0.000 0.976 503 R CB -0.458 29.725 30.300 -0.196 0.000 0.870 503 R HN 0.653 nan 8.270 nan 0.000 0.445 504 H N 0.142 119.035 119.070 -0.294 0.000 2.270 504 H HA -0.133 4.426 4.556 0.005 0.000 0.299 504 H C 1.555 176.743 175.328 -0.233 0.000 1.077 504 H CA 1.894 57.732 56.048 -0.349 0.000 1.294 504 H CB -0.031 29.404 29.762 -0.546 0.000 1.371 504 H HN 0.095 nan 8.280 nan 0.000 0.491 505 F N 0.347 120.329 119.950 0.053 0.000 2.206 505 F HA 0.160 4.689 4.527 0.004 0.000 0.298 505 F C 1.610 177.424 175.800 0.024 0.000 1.090 505 F CA 1.245 59.280 58.000 0.059 0.000 1.323 505 F CB -0.219 38.923 39.000 0.238 0.000 1.028 505 F HN 0.470 nan 8.300 nan 0.000 0.492 506 G N -0.842 108.086 108.800 0.213 0.000 2.770 506 G HA2 0.193 4.156 3.960 0.004 0.000 0.686 506 G HA3 0.193 4.156 3.960 0.004 0.000 0.686 506 G C 0.534 175.568 174.900 0.224 0.000 1.180 506 G CA -0.621 44.556 45.100 0.129 0.000 0.767 506 G HN 0.438 nan 8.290 nan 0.000 0.646 507 A N 1.369 124.286 122.820 0.161 0.000 1.884 507 A HA 0.167 4.489 4.320 0.004 0.000 0.219 507 A C 2.955 180.693 177.584 0.257 0.000 1.197 507 A CA 3.762 55.929 52.037 0.217 0.000 0.637 507 A CB -0.893 18.187 19.000 0.132 0.000 0.827 507 A HN 2.545 nan 8.150 nan 0.000 0.450 508 A N -0.683 122.241 122.820 0.174 0.000 1.898 508 A HA -0.146 4.176 4.320 0.004 0.000 0.216 508 A C 2.144 179.824 177.584 0.159 0.000 1.181 508 A CA 2.049 54.171 52.037 0.142 0.000 0.620 508 A CB -0.440 18.619 19.000 0.098 0.000 0.819 508 A HN 0.564 nan 8.150 nan 0.000 0.442 509 K N -1.114 119.402 120.400 0.194 0.000 2.148 509 K HA -0.160 4.163 4.320 0.004 0.000 0.204 509 K C 1.930 178.664 176.600 0.224 0.000 1.050 509 K CA 1.220 57.632 56.287 0.208 0.000 0.942 509 K CB -0.289 32.363 32.500 0.254 0.000 0.724 509 K HN 0.776 nan 8.250 nan 0.000 0.446 510 W N 1.642 123.002 121.300 0.100 0.000 2.379 510 W HA -0.206 4.457 4.660 0.004 0.000 0.307 510 W C 1.119 177.703 176.519 0.108 0.000 1.200 510 W CA 1.205 58.582 57.345 0.052 0.000 1.297 510 W CB -0.312 29.220 29.460 0.120 0.000 1.140 510 W HN 0.141 nan 8.180 nan 0.000 0.507 511 N N 0.875 119.572 118.700 -0.005 0.000 2.149 511 N HA -0.226 4.517 4.740 0.004 0.000 0.188 511 N C 1.886 177.315 175.510 -0.134 0.000 1.019 511 N CA 1.795 54.773 53.050 -0.119 0.000 0.857 511 N CB -0.795 37.709 38.487 0.028 0.000 0.997 511 N HN 0.330 nan 8.380 nan 0.000 0.426 512 R N -0.398 120.075 120.500 -0.044 0.000 2.075 512 R HA -0.060 4.282 4.340 0.004 0.000 0.232 512 R C 2.031 178.294 176.300 -0.062 0.000 1.126 512 R CA 0.795 56.875 56.100 -0.033 0.000 0.963 512 R CB -0.391 29.928 30.300 0.032 0.000 0.858 512 R HN 0.103 nan 8.270 nan 0.000 0.435 513 F N 0.774 120.572 119.950 -0.253 0.000 2.134 513 F HA -0.195 4.335 4.527 0.004 0.000 0.299 513 F C 2.008 177.687 175.800 -0.202 0.000 1.097 513 F CA 1.437 59.291 58.000 -0.243 0.000 1.264 513 F CB -0.214 38.474 39.000 -0.519 0.000 1.001 513 F HN -0.186 nan 8.300 nan 0.000 0.479 514 V N 0.092 119.822 119.914 -0.307 0.000 2.358 514 V HA -0.302 3.821 4.120 0.004 0.000 0.246 514 V C 2.347 178.291 176.094 -0.250 0.000 1.047 514 V CA 2.166 64.281 62.300 -0.308 0.000 1.035 514 V CB -0.777 30.799 31.823 -0.412 0.000 0.658 514 V HN 0.405 nan 8.190 nan 0.000 0.452 515 E N -0.106 119.969 120.200 -0.209 0.000 2.058 515 E HA -0.264 4.089 4.350 0.004 0.000 0.194 515 E C 2.218 178.685 176.600 -0.222 0.000 0.997 515 E CA 1.611 57.902 56.400 -0.182 0.000 0.801 515 E CB -0.095 29.522 29.700 -0.139 0.000 0.746 515 E HN 0.357 nan 8.360 nan 0.000 0.450 516 M N 0.573 120.033 119.600 -0.232 0.000 2.374 516 M HA -0.081 4.401 4.480 0.004 0.000 0.264 516 M C 2.067 178.301 176.300 -0.109 0.000 1.067 516 M CA 1.150 56.291 55.300 -0.265 0.000 1.103 516 M CB -0.591 31.725 32.600 -0.473 0.000 1.402 516 M HN -0.027 nan 8.290 nan 0.000 0.444 517 K N 1.051 121.378 120.400 -0.121 0.000 2.076 517 K HA -0.004 4.319 4.320 0.004 0.000 0.204 517 K C 1.465 177.883 176.600 -0.303 0.000 1.051 517 K CA 1.132 57.277 56.287 -0.236 0.000 0.949 517 K CB -0.091 31.934 32.500 -0.792 0.000 0.726 517 K HN 0.214 nan 8.250 nan 0.000 0.443 518 N N 0.624 119.149 118.700 -0.292 0.000 2.520 518 N HA -0.117 4.625 4.740 0.004 0.000 0.185 518 N C 1.272 176.654 175.510 -0.214 0.000 1.068 518 N CA 0.776 53.686 53.050 -0.233 0.000 0.911 518 N CB 0.137 38.514 38.487 -0.184 0.000 0.961 518 N HN 0.318 nan 8.380 nan 0.000 0.446 519 K N -0.383 119.831 120.400 -0.311 0.000 2.168 519 K HA 0.030 4.353 4.320 0.004 0.000 0.201 519 K C 0.807 177.123 176.600 -0.473 0.000 1.049 519 K CA 0.565 56.574 56.287 -0.463 0.000 0.974 519 K CB 0.193 32.215 32.500 -0.796 0.000 0.792 519 K HN 0.009 nan 8.250 nan 0.000 0.463 520 Y N -0.514 119.756 120.300 -0.050 0.000 2.481 520 Y HA 0.197 4.750 4.550 0.004 0.000 0.258 520 Y C -0.028 175.722 175.900 -0.250 0.000 1.103 520 Y CA -0.215 57.845 58.100 -0.067 0.000 1.287 520 Y CB 0.747 39.233 38.460 0.044 0.000 1.108 520 Y HN 0.042 nan 8.280 nan 0.000 0.529 521 D N -0.216 120.083 120.400 -0.168 0.000 3.118 521 D HA 0.158 4.801 4.640 0.004 0.000 0.286 521 D C -2.280 173.847 176.300 -0.288 0.000 1.255 521 D CA -1.598 52.244 54.000 -0.263 0.000 0.748 521 D CB 0.678 41.364 40.800 -0.191 0.000 1.332 521 D HN -0.117 nan 8.370 nan 0.000 0.575 522 P HA -0.154 nan 4.420 nan 0.000 0.221 522 P C 0.809 178.017 177.300 -0.153 0.000 1.145 522 P CA 0.738 63.719 63.100 -0.198 0.000 0.795 522 P CB 0.318 31.951 31.700 -0.111 0.000 0.775 523 K N -0.753 119.560 120.400 -0.145 0.000 2.487 523 K HA 0.066 4.388 4.320 0.004 0.000 0.192 523 K C 0.171 176.733 176.600 -0.062 0.000 1.027 523 K CA -0.182 56.057 56.287 -0.079 0.000 1.054 523 K CB -0.113 32.351 32.500 -0.060 0.000 0.824 523 K HN -0.167 nan 8.250 nan 0.000 0.510 524 R N 0.370 120.798 120.500 -0.120 0.000 3.264 524 R HA -0.159 4.184 4.340 0.004 0.000 0.251 524 R C 0.245 176.538 176.300 -0.012 0.000 0.971 524 R CA 0.292 56.344 56.100 -0.080 0.000 0.658 524 R CB -2.370 27.930 30.300 -0.001 0.000 1.095 524 R HN 0.254 nan 8.270 nan 0.000 0.443 525 L N -1.183 120.019 121.223 -0.034 0.000 2.575 525 L HA 0.238 4.581 4.340 0.004 0.000 0.228 525 L C 0.743 177.598 176.870 -0.025 0.000 1.075 525 L CA -0.116 54.731 54.840 0.011 0.000 0.867 525 L CB 0.116 42.192 42.059 0.029 0.000 1.097 525 L HN 0.120 nan 8.230 nan 0.000 0.485 526 L N 0.511 121.697 121.223 -0.062 0.000 2.349 526 L HA 0.155 4.498 4.340 0.004 0.000 0.275 526 L C 0.605 177.425 176.870 -0.084 0.000 1.115 526 L CA -0.248 54.533 54.840 -0.098 0.000 0.820 526 L CB 0.954 43.002 42.059 -0.019 0.000 1.135 526 L HN 0.125 nan 8.230 nan 0.000 0.445 527 S N 2.264 117.874 115.700 -0.150 0.000 3.447 527 S HA -0.101 4.372 4.470 0.004 0.000 0.371 527 S C -1.251 173.347 174.600 -0.003 0.000 0.951 527 S CA 0.279 58.435 58.200 -0.073 0.000 1.269 527 S CB -0.910 62.285 63.200 -0.008 0.000 0.919 527 S HN 0.700 nan 8.310 nan 0.000 0.516 528 P HA -0.072 nan 4.420 nan 0.000 0.225 528 P C 1.617 178.962 177.300 0.075 0.000 1.148 528 P CA 1.388 64.523 63.100 0.059 0.000 0.779 528 P CB -0.283 31.455 31.700 0.063 0.000 0.780 529 G N 0.252 109.088 108.800 0.059 0.000 2.509 529 G HA2 -0.196 3.767 3.960 0.004 0.000 0.218 529 G HA3 -0.196 3.767 3.960 0.004 0.000 0.218 529 G C 1.564 176.506 174.900 0.069 0.000 1.124 529 G CA 0.222 45.356 45.100 0.056 0.000 0.776 529 G HN 0.244 nan 8.290 nan 0.000 0.547 530 Q N 0.259 120.111 119.800 0.087 0.000 2.378 530 Q HA -0.008 4.334 4.340 0.004 0.000 0.205 530 Q C 0.517 176.669 176.000 0.253 0.000 0.954 530 Q CA 0.671 56.566 55.803 0.154 0.000 0.901 530 Q CB 0.132 28.907 28.738 0.062 0.000 0.981 530 Q HN 0.420 nan 8.270 nan 0.000 0.483 531 D N -0.717 119.786 120.400 0.173 0.000 2.837 531 D HA -0.210 4.432 4.640 0.004 0.000 0.230 531 D C 0.691 177.102 176.300 0.185 0.000 1.152 531 D CA 0.540 54.666 54.000 0.211 0.000 0.736 531 D CB -1.347 39.614 40.800 0.268 0.000 1.084 531 D HN 0.359 nan 8.370 nan 0.000 0.429 532 I N -1.356 119.145 120.570 -0.116 0.000 2.364 532 I HA -0.110 4.063 4.170 0.004 0.000 0.241 532 I C 1.660 177.511 176.117 -0.445 0.000 1.082 532 I CA 0.817 61.770 61.300 -0.577 0.000 1.401 532 I CB -0.131 37.370 38.000 -0.831 0.000 1.126 532 I HN -0.100 nan 8.210 nan 0.000 0.429 533 F N 0.533 120.518 119.950 0.059 0.000 2.654 533 F HA 0.254 4.783 4.527 0.004 0.000 0.303 533 F C 0.160 176.002 175.800 0.069 0.000 1.099 533 F CA -0.409 57.642 58.000 0.085 0.000 1.270 533 F CB -0.279 38.739 39.000 0.031 0.000 1.024 533 F HN 0.030 nan 8.300 nan 0.000 0.548 534 N N 0.000 118.805 118.700 0.176 0.000 1.763 534 N HA 0.000 4.743 4.740 0.004 0.000 0.220 534 N CA 0.000 53.133 53.050 0.138 0.000 0.885 534 N CB 0.000 38.559 38.487 0.120 0.000 1.341 534 N HN 0.000 nan 8.380 nan 0.000 0.667