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 2aq7_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.011 0.000 1.140 1 M CA 0.000 55.308 55.300 0.013 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 K N 1.543 121.948 120.400 0.008 0.000 2.098 2 K HA 0.802 5.123 4.320 0.001 0.000 0.257 2 K C -0.409 176.193 176.600 0.003 0.000 0.999 2 K CA -0.650 55.639 56.287 0.004 0.000 0.924 2 K CB 1.542 34.041 32.500 -0.001 0.000 1.028 2 K HN 0.813 nan 8.250 nan 0.000 0.466 3 R N 0.171 120.672 120.500 0.001 0.000 2.486 3 R HA 0.451 4.791 4.340 0.001 0.000 0.286 3 R C -0.610 175.683 176.300 -0.012 0.000 0.999 3 R CA -0.539 55.561 56.100 -0.001 0.000 0.993 3 R CB 1.576 31.877 30.300 0.001 0.000 1.084 3 R HN 0.632 nan 8.270 nan 0.000 0.487 4 A N 2.148 124.957 122.820 -0.017 0.000 2.331 4 A HA 0.633 4.953 4.320 0.001 0.000 0.320 4 A C -0.550 177.013 177.584 -0.034 0.000 1.138 4 A CA -0.697 51.319 52.037 -0.035 0.000 0.790 4 A CB 1.206 20.178 19.000 -0.048 0.000 1.206 4 A HN 0.532 nan 8.150 nan 0.000 0.470 5 V N 0.103 119.993 119.914 -0.041 0.000 3.001 5 V HA 0.710 4.831 4.120 0.001 0.000 0.314 5 V C -0.692 175.378 176.094 -0.040 0.000 1.099 5 V CA -1.065 61.215 62.300 -0.034 0.000 0.989 5 V CB 1.769 33.574 31.823 -0.030 0.000 1.040 5 V HN 0.620 nan 8.190 nan 0.000 0.434 6 I N 3.608 124.167 120.570 -0.018 0.000 2.304 6 I HA 0.374 4.544 4.170 0.001 0.000 0.291 6 I C 1.207 177.383 176.117 0.097 0.000 1.018 6 I CA 0.270 61.569 61.300 -0.002 0.000 1.260 6 I CB 1.032 39.013 38.000 -0.031 0.000 1.390 6 I HN 1.038 nan 8.210 nan 0.000 0.475 7 T N 1.380 115.980 114.554 0.076 0.000 3.129 7 T HA 0.533 4.883 4.350 0.001 0.000 0.267 7 T C 0.508 175.346 174.700 0.229 0.000 1.018 7 T CA -0.319 61.850 62.100 0.117 0.000 0.903 7 T CB 0.318 69.207 68.868 0.034 0.000 1.067 7 T HN 0.782 nan 8.240 nan 0.000 0.549 8 G N 1.246 110.190 108.800 0.239 0.000 2.411 8 G HA2 0.518 4.478 3.960 0.001 0.000 0.295 8 G HA3 0.518 4.478 3.960 0.001 0.000 0.295 8 G C -2.111 172.782 174.900 -0.011 0.000 1.542 8 G CA -0.769 44.462 45.100 0.218 0.000 0.814 8 G HN 0.756 nan 8.290 nan 0.000 0.557 9 L N -1.548 119.645 121.223 -0.050 0.000 2.568 9 L HA 1.071 5.411 4.340 0.001 0.000 0.257 9 L C -0.071 176.752 176.870 -0.078 0.000 1.024 9 L CA -0.558 54.198 54.840 -0.141 0.000 0.854 9 L CB 1.744 43.615 42.059 -0.314 0.000 1.460 9 L HN 1.585 nan 8.230 nan 0.000 0.409 10 G N 0.396 109.142 108.800 -0.090 0.000 2.720 10 G HA2 0.753 4.713 3.960 0.001 0.000 0.295 10 G HA3 0.753 4.713 3.960 0.001 0.000 0.295 10 G C -2.188 172.671 174.900 -0.068 0.000 1.437 10 G CA -0.587 44.474 45.100 -0.064 0.000 0.886 10 G HN 1.036 nan 8.290 nan 0.000 0.509 11 I N 0.535 121.079 120.570 -0.043 0.000 2.743 11 I HA 0.572 4.742 4.170 0.001 0.000 0.292 11 I C -1.517 174.582 176.117 -0.030 0.000 1.343 11 I CA -0.870 60.403 61.300 -0.046 0.000 1.038 11 I CB 2.291 40.263 38.000 -0.047 0.000 1.311 11 I HN 0.371 nan 8.210 nan 0.000 0.426 12 V N 6.542 126.424 119.914 -0.054 0.000 2.419 12 V HA 0.626 4.746 4.120 0.001 0.000 0.287 12 V C -0.286 175.710 176.094 -0.163 0.000 1.017 12 V CA -0.202 62.039 62.300 -0.098 0.000 0.844 12 V CB 1.310 33.068 31.823 -0.107 0.000 1.011 12 V HN 0.813 nan 8.190 nan 0.000 0.429 13 S N 2.339 117.973 115.700 -0.110 0.000 2.697 13 S HA 0.459 4.929 4.470 0.001 0.000 0.289 13 S C 1.205 175.748 174.600 -0.094 0.000 1.149 13 S CA 0.098 58.244 58.200 -0.091 0.000 0.850 13 S CB 1.744 64.976 63.200 0.054 0.000 1.151 13 S HN 0.901 nan 8.310 nan 0.000 0.491 14 S N 0.658 116.311 115.700 -0.079 0.000 2.419 14 S HA -0.146 4.324 4.470 0.001 0.000 0.235 14 S C 1.522 176.096 174.600 -0.044 0.000 1.019 14 S CA 1.341 59.499 58.200 -0.071 0.000 0.982 14 S CB -1.181 61.990 63.200 -0.047 0.000 0.789 14 S HN 1.126 nan 8.310 nan 0.000 0.490 15 I N -2.345 118.204 120.570 -0.034 0.000 3.941 15 I HA 0.662 4.832 4.170 0.001 0.000 0.335 15 I C 0.548 176.646 176.117 -0.030 0.000 1.402 15 I CA -0.320 60.953 61.300 -0.045 0.000 1.112 15 I CB 0.138 38.080 38.000 -0.095 0.000 1.043 15 I HN 0.325 nan 8.210 nan 0.000 0.395 16 G N 0.957 109.746 108.800 -0.019 0.000 2.386 16 G HA2 0.044 4.004 3.960 0.001 0.000 0.302 16 G HA3 0.044 4.004 3.960 0.001 0.000 0.302 16 G C -0.829 174.062 174.900 -0.015 0.000 1.629 16 G CA -0.625 44.468 45.100 -0.012 0.000 0.917 16 G HN -0.011 nan 8.290 nan 0.000 0.676 17 N N -0.028 118.663 118.700 -0.015 0.000 2.336 17 N HA 0.098 4.839 4.740 0.001 0.000 0.189 17 N C 0.418 175.928 175.510 -0.001 0.000 1.113 17 N CA 0.708 53.748 53.050 -0.016 0.000 0.858 17 N CB 0.299 38.781 38.487 -0.008 0.000 0.970 17 N HN 0.810 nan 8.380 nan 0.000 0.471 18 N N -1.744 116.959 118.700 0.005 0.000 3.106 18 N HA -0.003 4.738 4.740 0.001 0.000 0.253 18 N C 0.412 175.935 175.510 0.022 0.000 1.506 18 N CA -0.666 52.391 53.050 0.012 0.000 0.876 18 N CB 0.457 38.953 38.487 0.015 0.000 1.452 18 N HN -0.160 nan 8.380 nan 0.000 0.542 19 Q N -1.081 118.737 119.800 0.029 0.000 2.224 19 Q HA -0.124 4.217 4.340 0.001 0.000 0.203 19 Q C 0.766 176.785 176.000 0.032 0.000 0.970 19 Q CA 1.557 57.387 55.803 0.045 0.000 0.865 19 Q CB -0.286 28.492 28.738 0.066 0.000 0.922 19 Q HN 0.649 nan 8.270 nan 0.000 0.445 20 Q N 1.291 121.102 119.800 0.019 0.000 2.020 20 Q HA -0.102 4.238 4.340 0.001 0.000 0.198 20 Q C 1.864 177.849 176.000 -0.025 0.000 0.974 20 Q CA 1.828 57.626 55.803 -0.008 0.000 0.829 20 Q CB 0.005 28.743 28.738 -0.001 0.000 0.894 20 Q HN 0.522 nan 8.270 nan 0.000 0.433 21 E N -0.114 120.078 120.200 -0.013 0.000 2.118 21 E HA -0.180 4.171 4.350 0.001 0.000 0.195 21 E C 1.973 178.558 176.600 -0.024 0.000 0.992 21 E CA 1.411 57.799 56.400 -0.020 0.000 0.804 21 E CB -0.065 29.628 29.700 -0.012 0.000 0.741 21 E HN 0.126 nan 8.360 nan 0.000 0.458 22 V N 1.652 121.565 119.914 -0.001 0.000 2.358 22 V HA -0.223 3.897 4.120 0.001 0.000 0.246 22 V C 2.289 178.376 176.094 -0.012 0.000 1.047 22 V CA 1.167 63.474 62.300 0.012 0.000 1.035 22 V CB -0.363 31.524 31.823 0.107 0.000 0.658 22 V HN 0.334 nan 8.190 nan 0.000 0.452 23 L N 0.075 121.285 121.223 -0.022 0.000 2.012 23 L HA -0.226 4.115 4.340 0.001 0.000 0.210 23 L C 2.606 179.397 176.870 -0.131 0.000 1.073 23 L CA 2.114 56.909 54.840 -0.074 0.000 0.748 23 L CB -0.585 41.358 42.059 -0.194 0.000 0.891 23 L HN 0.394 nan 8.230 nan 0.000 0.431 24 A N -1.014 121.735 122.820 -0.119 0.000 1.877 24 A HA -0.210 4.110 4.320 0.001 0.000 0.216 24 A C 2.374 179.893 177.584 -0.107 0.000 1.186 24 A CA 2.100 54.064 52.037 -0.122 0.000 0.620 24 A CB -0.695 18.254 19.000 -0.086 0.000 0.822 24 A HN 0.515 nan 8.150 nan 0.000 0.443 25 S N -0.152 115.498 115.700 -0.083 0.000 2.368 25 S HA -0.078 4.392 4.470 0.001 0.000 0.225 25 S C 1.832 176.380 174.600 -0.085 0.000 1.030 25 S CA 1.428 59.580 58.200 -0.080 0.000 0.999 25 S CB -0.455 62.696 63.200 -0.081 0.000 0.844 25 S HN 0.496 nan 8.310 nan 0.000 0.459 26 L N 0.918 122.096 121.223 -0.076 0.000 2.046 26 L HA -0.077 4.263 4.340 0.001 0.000 0.208 26 L C 2.745 179.634 176.870 0.032 0.000 1.077 26 L CA 1.217 56.053 54.840 -0.007 0.000 0.747 26 L CB -0.408 41.724 42.059 0.122 0.000 0.896 26 L HN 0.204 nan 8.230 nan 0.000 0.432 27 R N -0.204 120.211 120.500 -0.142 0.000 2.115 27 R HA -0.167 4.173 4.340 0.001 0.000 0.230 27 R C 2.033 178.245 176.300 -0.147 0.000 1.111 27 R CA 1.161 57.080 56.100 -0.302 0.000 0.976 27 R CB -0.088 29.890 30.300 -0.536 0.000 0.870 27 R HN 0.239 nan 8.270 nan 0.000 0.445 28 E N -0.187 119.947 120.200 -0.110 0.000 2.442 28 E HA -0.003 4.348 4.350 0.001 0.000 0.195 28 E C 0.678 177.251 176.600 -0.046 0.000 1.030 28 E CA 0.698 57.054 56.400 -0.074 0.000 0.869 28 E CB 0.201 29.858 29.700 -0.071 0.000 0.857 28 E HN 0.369 nan 8.360 nan 0.000 0.505 29 G N 1.655 110.432 108.800 -0.039 0.000 2.249 29 G HA2 -0.413 3.547 3.960 0.001 0.000 0.273 29 G HA3 -0.413 3.547 3.960 0.001 0.000 0.273 29 G C 0.120 174.998 174.900 -0.036 0.000 1.036 29 G CA 0.554 45.636 45.100 -0.029 0.000 0.824 29 G HN 0.394 nan 8.290 nan 0.000 0.504 30 R N 0.301 120.773 120.500 -0.046 0.000 2.442 30 R HA 0.458 4.798 4.340 0.001 0.000 0.291 30 R C 0.804 177.080 176.300 -0.039 0.000 1.069 30 R CA 0.391 56.468 56.100 -0.038 0.000 1.022 30 R CB 0.441 30.717 30.300 -0.040 0.000 0.976 30 R HN 0.267 nan 8.270 nan 0.000 0.443 31 S N 2.097 117.784 115.700 -0.021 0.000 2.565 31 S HA 0.278 4.748 4.470 0.001 0.000 0.274 31 S C 0.885 175.484 174.600 -0.002 0.000 1.309 31 S CA -0.246 57.946 58.200 -0.013 0.000 1.043 31 S CB 1.298 64.500 63.200 0.004 0.000 0.939 31 S HN 0.794 nan 8.310 nan 0.000 0.504 32 G N 3.701 112.501 108.800 -0.000 0.000 3.337 32 G HA2 0.233 4.193 3.960 0.001 0.000 0.246 32 G HA3 0.233 4.193 3.960 0.001 0.000 0.246 32 G C 0.061 174.992 174.900 0.052 0.000 1.131 32 G CA -0.223 44.883 45.100 0.011 0.000 0.773 32 G HN 0.600 nan 8.290 nan 0.000 0.544 33 I N 2.617 123.232 120.570 0.076 0.000 2.342 33 I HA 0.368 4.538 4.170 0.001 0.000 0.291 33 I C 0.519 176.739 176.117 0.171 0.000 1.010 33 I CA -0.514 60.867 61.300 0.135 0.000 1.308 33 I CB 0.486 38.553 38.000 0.112 0.000 1.400 33 I HN 0.049 nan 8.210 nan 0.000 0.488 34 T N 2.783 117.497 114.554 0.267 0.000 2.901 34 T HA 0.541 4.892 4.350 0.001 0.000 0.293 34 T C -0.426 174.422 174.700 0.246 0.000 1.084 34 T CA -0.746 61.516 62.100 0.270 0.000 1.008 34 T CB 1.794 70.842 68.868 0.301 0.000 1.170 34 T HN 0.225 nan 8.240 nan 0.000 0.509 35 F N 1.735 121.727 119.950 0.069 0.000 2.518 35 F HA 0.481 5.008 4.527 0.000 0.000 0.359 35 F C 0.544 176.246 175.800 -0.164 0.000 1.118 35 F CA 0.172 58.153 58.000 -0.032 0.000 1.287 35 F CB 0.713 39.705 39.000 -0.014 0.000 1.132 35 F HN 0.684 nan 8.300 nan 0.000 0.587 36 S N 4.841 119.708 115.700 -1.388 0.000 2.640 36 S HA 0.189 4.660 4.470 0.001 0.000 0.320 36 S C 0.459 174.245 174.600 -1.358 0.000 1.097 36 S CA -0.713 56.634 58.200 -1.421 0.000 1.092 36 S CB 1.336 63.217 63.200 -2.198 0.000 0.988 36 S HN 0.884 nan 8.310 nan 0.000 0.470 37 Q N 3.421 122.813 119.800 -0.680 0.000 2.119 37 Q HA -0.071 4.269 4.340 0.001 0.000 0.201 37 Q C 1.766 177.569 176.000 -0.329 0.000 0.972 37 Q CA 2.199 57.815 55.803 -0.312 0.000 0.847 37 Q CB -0.178 28.573 28.738 0.022 0.000 0.903 37 Q HN 0.908 nan 8.270 nan 0.000 0.433 38 E N -0.485 119.526 120.200 -0.315 0.000 2.058 38 E HA -0.208 4.142 4.350 0.001 0.000 0.194 38 E C 1.801 178.256 176.600 -0.242 0.000 0.997 38 E CA 1.362 57.654 56.400 -0.179 0.000 0.801 38 E CB -0.175 29.545 29.700 0.034 0.000 0.746 38 E HN 0.452 nan 8.360 nan 0.000 0.450 39 L N 0.490 121.462 121.223 -0.418 0.000 1.976 39 L HA -0.187 4.154 4.340 0.001 0.000 0.209 39 L C 2.869 179.591 176.870 -0.247 0.000 1.071 39 L CA 1.700 56.381 54.840 -0.266 0.000 0.746 39 L CB -0.626 41.228 42.059 -0.341 0.000 0.890 39 L HN 0.146 nan 8.230 nan 0.000 0.432 40 K N 0.455 120.582 120.400 -0.455 0.000 2.034 40 K HA -0.253 4.067 4.320 0.001 0.000 0.214 40 K C 1.690 178.104 176.600 -0.310 0.000 1.051 40 K CA 2.235 58.169 56.287 -0.588 0.000 0.931 40 K CB -0.097 31.926 32.500 -0.796 0.000 0.715 40 K HN 0.199 nan 8.250 nan 0.000 0.446 41 D N -0.051 120.185 120.400 -0.273 0.000 2.182 41 D HA -0.148 4.493 4.640 0.001 0.000 0.201 41 D C 1.942 178.073 176.300 -0.281 0.000 0.986 41 D CA 1.609 55.473 54.000 -0.227 0.000 0.847 41 D CB -0.322 40.358 40.800 -0.200 0.000 0.942 41 D HN 0.428 nan 8.370 nan 0.000 0.467 42 S N -0.791 114.699 115.700 -0.350 0.000 2.469 42 S HA 0.041 4.512 4.470 0.001 0.000 0.238 42 S C 1.788 176.227 174.600 -0.268 0.000 0.998 42 S CA 1.162 59.069 58.200 -0.489 0.000 0.957 42 S CB -0.080 62.821 63.200 -0.498 0.000 0.764 42 S HN 0.372 nan 8.310 nan 0.000 0.514 43 G N 0.416 109.127 108.800 -0.148 0.000 2.144 43 G HA2 -0.210 3.751 3.960 0.001 0.000 0.218 43 G HA3 -0.210 3.751 3.960 0.001 0.000 0.218 43 G C -0.026 174.883 174.900 0.015 0.000 0.988 43 G CA 0.083 45.146 45.100 -0.061 0.000 0.659 43 G HN 0.486 nan 8.290 nan 0.000 0.522 44 M N -0.650 118.978 119.600 0.046 0.000 2.163 44 M HA 0.442 4.922 4.480 0.001 0.000 0.305 44 M C 1.865 178.246 176.300 0.135 0.000 1.166 44 M CA 0.051 55.406 55.300 0.093 0.000 1.132 44 M CB 0.536 33.200 32.600 0.106 0.000 1.413 44 M HN 0.169 nan 8.290 nan 0.000 0.478 45 R N -0.543 119.966 120.500 0.015 0.000 2.206 45 R HA 0.131 4.471 4.340 0.001 0.000 0.198 45 R C 0.436 176.524 176.300 -0.354 0.000 0.986 45 R CA 0.122 56.138 56.100 -0.141 0.000 1.029 45 R CB 0.262 30.511 30.300 -0.085 0.000 0.966 45 R HN 0.557 nan 8.270 nan 0.000 0.487 46 S N 0.601 116.202 115.700 -0.165 0.000 2.474 46 S HA 0.100 4.571 4.470 0.001 0.000 0.276 46 S C -0.018 174.546 174.600 -0.060 0.000 1.227 46 S CA -0.465 57.646 58.200 -0.148 0.000 1.050 46 S CB 0.271 63.432 63.200 -0.065 0.000 0.939 46 S HN 0.346 nan 8.310 nan 0.000 0.490 47 H N 2.732 121.734 119.070 -0.114 0.000 2.512 47 H HA 0.321 4.877 4.556 0.001 0.000 0.276 47 H C 0.009 175.101 175.328 -0.393 0.000 1.126 47 H CA -0.573 55.299 56.048 -0.293 0.000 1.060 47 H CB 0.595 30.255 29.762 -0.170 0.000 1.646 47 H HN 0.464 nan 8.280 nan 0.000 0.571 48 V N -1.724 118.128 119.914 -0.103 0.000 2.914 48 V HA 0.637 4.757 4.120 0.001 0.000 0.314 48 V C -1.298 174.854 176.094 0.096 0.000 1.084 48 V CA -0.949 61.326 62.300 -0.041 0.000 0.963 48 V CB 2.174 34.051 31.823 0.090 0.000 1.025 48 V HN 0.384 nan 8.190 nan 0.000 0.432 49 W N 0.828 122.139 121.300 0.017 0.000 3.153 49 W HA 0.792 5.452 4.660 0.000 0.000 0.316 49 W C -0.309 176.228 176.519 0.031 0.000 1.255 49 W CA -1.669 55.691 57.345 0.026 0.000 1.192 49 W CB 0.822 30.293 29.460 0.020 0.000 1.400 49 W HN 1.028 nan 8.180 nan 0.000 0.568 50 G N 3.541 112.455 108.800 0.191 0.000 2.977 50 G HA2 0.326 4.286 3.960 0.001 0.000 0.306 50 G HA3 0.326 4.286 3.960 0.001 0.000 0.306 50 G C -0.364 174.422 174.900 -0.189 0.000 0.885 50 G CA -0.596 44.518 45.100 0.023 0.000 1.649 50 G HN 0.566 nan 8.290 nan 0.000 0.514 51 N N 1.034 119.540 118.700 -0.322 0.000 2.509 51 N HA 0.244 4.984 4.740 0.001 0.000 0.287 51 N C -0.248 175.083 175.510 -0.299 0.000 1.121 51 N CA -0.647 52.073 53.050 -0.551 0.000 0.977 51 N CB 1.957 39.986 38.487 -0.762 0.000 1.167 51 N HN -0.037 nan 8.380 nan 0.000 0.476 52 V N 1.590 121.309 119.914 -0.325 0.000 2.555 52 V HA 0.089 4.210 4.120 0.001 0.000 0.286 52 V C 0.566 176.576 176.094 -0.141 0.000 1.044 52 V CA -0.317 61.822 62.300 -0.268 0.000 1.026 52 V CB 0.410 31.953 31.823 -0.467 0.000 0.981 52 V HN 0.607 nan 8.190 nan 0.000 0.480 53 K N 5.894 126.241 120.400 -0.087 0.000 2.457 53 K HA 0.537 4.857 4.320 0.001 0.000 0.226 53 K C -1.078 175.516 176.600 -0.010 0.000 1.114 53 K CA -0.463 55.808 56.287 -0.027 0.000 1.089 53 K CB 0.963 33.457 32.500 -0.009 0.000 1.739 53 K HN 0.430 nan 8.250 nan 0.000 0.473 54 L N 0.807 122.034 121.223 0.007 0.000 2.493 54 L HA 0.351 4.691 4.340 0.001 0.000 0.265 54 L C -1.544 175.357 176.870 0.051 0.000 0.954 54 L CA -0.424 54.434 54.840 0.030 0.000 0.844 54 L CB 2.194 44.274 42.059 0.034 0.000 1.302 54 L HN 0.203 nan 8.230 nan 0.000 0.405 55 D N 2.086 122.512 120.400 0.044 0.000 2.352 55 D HA 0.204 4.844 4.640 0.001 0.000 0.245 55 D C 0.915 177.242 176.300 0.045 0.000 1.224 55 D CA 0.409 54.434 54.000 0.042 0.000 0.879 55 D CB 1.179 41.998 40.800 0.032 0.000 1.057 55 D HN 0.694 nan 8.370 nan 0.000 0.491 56 T N -0.162 114.423 114.554 0.051 0.000 3.129 56 T HA 0.033 4.383 4.350 0.001 0.000 0.251 56 T C 0.795 175.502 174.700 0.011 0.000 1.117 56 T CA -0.288 61.840 62.100 0.046 0.000 1.034 56 T CB -0.363 68.540 68.868 0.059 0.000 0.968 56 T HN 0.217 nan 8.240 nan 0.000 0.526 57 T N 2.386 116.943 114.554 0.006 0.000 2.867 57 T HA 0.433 4.783 4.350 0.001 0.000 0.297 57 T C 1.537 176.231 174.700 -0.010 0.000 0.989 57 T CA 0.701 62.794 62.100 -0.011 0.000 1.159 57 T CB 0.280 69.145 68.868 -0.005 0.000 0.928 57 T HN 0.690 nan 8.240 nan 0.000 0.538 58 G N 2.263 111.048 108.800 -0.026 0.000 2.199 58 G HA2 -0.233 3.727 3.960 0.001 0.000 0.254 58 G HA3 -0.233 3.727 3.960 0.001 0.000 0.254 58 G C 0.743 175.636 174.900 -0.012 0.000 0.982 58 G CA -0.014 45.073 45.100 -0.021 0.000 0.632 58 G HN 0.599 nan 8.290 nan 0.000 0.529 59 L N 0.386 121.607 121.223 -0.004 0.000 2.270 59 L HA 0.475 4.815 4.340 0.001 0.000 0.210 59 L C 1.436 178.321 176.870 0.025 0.000 1.104 59 L CA 1.002 55.859 54.840 0.029 0.000 0.804 59 L CB -0.044 42.049 42.059 0.058 0.000 0.937 59 L HN 0.445 nan 8.230 nan 0.000 0.450 60 I N -0.895 119.638 120.570 -0.062 0.000 2.474 60 I HA 0.194 4.365 4.170 0.001 0.000 0.294 60 I C -0.374 175.640 176.117 -0.172 0.000 1.005 60 I CA -1.043 60.152 61.300 -0.176 0.000 1.113 60 I CB 1.591 39.341 38.000 -0.416 0.000 1.289 60 I HN -0.150 nan 8.210 nan 0.000 0.436 61 D N 4.081 124.385 120.400 -0.160 0.000 2.488 61 D HA -0.047 4.593 4.640 0.001 0.000 0.238 61 D C 1.228 177.427 176.300 -0.168 0.000 1.138 61 D CA 0.144 54.067 54.000 -0.128 0.000 0.873 61 D CB 0.952 41.695 40.800 -0.096 0.000 1.183 61 D HN 0.482 nan 8.370 nan 0.000 0.458 62 R N 3.633 124.048 120.500 -0.142 0.000 2.134 62 R HA -0.239 4.101 4.340 0.001 0.000 0.248 62 R C 1.252 177.419 176.300 -0.222 0.000 1.143 62 R CA 1.855 57.853 56.100 -0.170 0.000 0.957 62 R CB -0.154 30.068 30.300 -0.129 0.000 0.867 62 R HN 0.342 nan 8.270 nan 0.000 0.441 63 K N -0.402 119.894 120.400 -0.174 0.000 2.432 63 K HA 0.034 4.354 4.320 0.001 0.000 0.196 63 K C 1.699 178.215 176.600 -0.140 0.000 1.038 63 K CA 0.906 57.089 56.287 -0.173 0.000 0.986 63 K CB 0.323 32.779 32.500 -0.074 0.000 0.782 63 K HN 0.076 nan 8.250 nan 0.000 0.485 64 V N -0.133 119.687 119.914 -0.157 0.000 2.492 64 V HA -0.097 4.024 4.120 0.001 0.000 0.241 64 V C 1.877 177.843 176.094 -0.213 0.000 1.041 64 V CA 0.850 63.070 62.300 -0.134 0.000 1.057 64 V CB 0.321 31.986 31.823 -0.264 0.000 0.711 64 V HN 0.063 nan 8.190 nan 0.000 0.468 65 V N 2.291 122.016 119.914 -0.315 0.000 2.809 65 V HA -0.180 3.940 4.120 0.001 0.000 0.256 65 V C 2.761 178.632 176.094 -0.372 0.000 1.080 65 V CA 2.051 64.150 62.300 -0.334 0.000 1.102 65 V CB -0.618 31.023 31.823 -0.302 0.000 0.705 65 V HN 0.707 nan 8.190 nan 0.000 0.475 66 R N -1.028 119.167 120.500 -0.509 0.000 2.193 66 R HA -0.131 4.210 4.340 0.001 0.000 0.229 66 R C 1.789 177.564 176.300 -0.876 0.000 1.110 66 R CA 2.006 57.627 56.100 -0.799 0.000 0.988 66 R CB -0.698 28.910 30.300 -1.153 0.000 0.871 66 R HN 0.481 nan 8.270 nan 0.000 0.458 67 F N 0.986 120.689 119.950 -0.411 0.000 2.789 67 F HA 0.323 4.851 4.527 0.001 0.000 0.300 67 F C 0.922 176.566 175.800 -0.260 0.000 1.132 67 F CA 0.099 57.949 58.000 -0.250 0.000 1.404 67 F CB 0.098 39.013 39.000 -0.141 0.000 1.114 67 F HN -0.104 nan 8.300 nan 0.000 0.584 68 M N 0.030 119.521 119.600 -0.182 0.000 2.300 68 M HA 0.299 4.779 4.480 0.001 0.000 0.348 68 M C 0.513 176.619 176.300 -0.323 0.000 1.151 68 M CA -0.622 54.559 55.300 -0.199 0.000 1.046 68 M CB 1.657 34.137 32.600 -0.200 0.000 1.647 68 M HN 0.005 nan 8.290 nan 0.000 0.451 69 S N 0.405 115.957 115.700 -0.247 0.000 2.686 69 S HA 0.264 4.734 4.470 0.001 0.000 0.270 69 S C 0.397 174.910 174.600 -0.144 0.000 1.194 69 S CA -0.641 57.461 58.200 -0.164 0.000 0.990 69 S CB 0.926 64.121 63.200 -0.009 0.000 1.029 69 S HN 0.661 nan 8.310 nan 0.000 0.560 70 D N 1.001 121.323 120.400 -0.130 0.000 2.144 70 D HA -0.007 4.633 4.640 0.001 0.000 0.199 70 D C 2.196 178.170 176.300 -0.543 0.000 0.984 70 D CA 1.753 55.496 54.000 -0.429 0.000 0.834 70 D CB -0.899 39.657 40.800 -0.406 0.000 0.955 70 D HN 0.674 nan 8.370 nan 0.000 0.465 71 A N 0.359 123.059 122.820 -0.199 0.000 1.908 71 A HA -0.182 4.139 4.320 0.001 0.000 0.218 71 A C 2.423 179.996 177.584 -0.017 0.000 1.181 71 A CA 1.951 53.963 52.037 -0.041 0.000 0.627 71 A CB -0.552 18.466 19.000 0.031 0.000 0.818 71 A HN 0.175 nan 8.150 nan 0.000 0.445 72 S N -0.353 115.320 115.700 -0.045 0.000 2.368 72 S HA -0.060 4.411 4.470 0.001 0.000 0.224 72 S C 1.803 176.424 174.600 0.034 0.000 1.029 72 S CA 1.276 59.482 58.200 0.011 0.000 0.988 72 S CB -0.454 62.736 63.200 -0.017 0.000 0.838 72 S HN 0.541 nan 8.310 nan 0.000 0.462 73 I N 0.501 121.013 120.570 -0.095 0.000 2.163 73 I HA -0.232 3.938 4.170 0.001 0.000 0.243 73 I C 2.095 178.278 176.117 0.110 0.000 1.085 73 I CA 1.390 62.646 61.300 -0.073 0.000 1.347 73 I CB -0.432 37.427 38.000 -0.234 0.000 1.044 73 I HN 0.260 nan 8.210 nan 0.000 0.408 74 Y N 0.746 121.087 120.300 0.068 0.000 2.181 74 Y HA -0.180 4.370 4.550 0.001 0.000 0.288 74 Y C 2.648 178.588 175.900 0.067 0.000 1.146 74 Y CA 0.711 58.843 58.100 0.054 0.000 1.164 74 Y CB -1.398 37.072 38.460 0.017 0.000 0.982 74 Y HN 0.129 nan 8.280 nan 0.000 0.515 75 A N -0.314 122.644 122.820 0.229 0.000 1.902 75 A HA -0.210 4.110 4.320 0.001 0.000 0.217 75 A C 2.211 179.891 177.584 0.160 0.000 1.181 75 A CA 1.478 53.602 52.037 0.146 0.000 0.623 75 A CB -1.362 17.708 19.000 0.116 0.000 0.818 75 A HN 0.425 nan 8.150 nan 0.000 0.443 76 F N 0.693 120.699 119.950 0.093 0.000 2.075 76 F HA -0.159 4.368 4.527 0.001 0.000 0.297 76 F C 1.952 177.844 175.800 0.152 0.000 1.113 76 F CA 1.894 59.991 58.000 0.163 0.000 1.218 76 F CB -0.299 38.765 39.000 0.107 0.000 0.984 76 F HN 0.142 nan 8.300 nan 0.000 0.472 77 L N -0.524 120.910 121.223 0.351 0.000 2.042 77 L HA -0.254 4.086 4.340 0.001 0.000 0.210 77 L C 2.499 179.397 176.870 0.047 0.000 1.076 77 L CA 1.516 56.477 54.840 0.203 0.000 0.749 77 L CB -1.035 41.158 42.059 0.223 0.000 0.893 77 L HN 0.103 nan 8.230 nan 0.000 0.432 78 S N -0.419 115.303 115.700 0.038 0.000 2.382 78 S HA -0.225 4.245 4.470 0.001 0.000 0.228 78 S C 1.913 176.440 174.600 -0.122 0.000 1.027 78 S CA 1.611 59.792 58.200 -0.031 0.000 0.991 78 S CB -0.238 62.950 63.200 -0.021 0.000 0.823 78 S HN 0.373 nan 8.310 nan 0.000 0.469 79 M N 1.307 120.782 119.600 -0.208 0.000 2.200 79 M HA -0.076 4.405 4.480 0.001 0.000 0.265 79 M C 1.973 177.958 176.300 -0.525 0.000 1.066 79 M CA 1.339 56.366 55.300 -0.455 0.000 1.127 79 M CB -0.122 32.057 32.600 -0.702 0.000 1.379 79 M HN 0.231 nan 8.290 nan 0.000 0.420 80 E N 0.006 119.994 120.200 -0.353 0.000 2.038 80 E HA -0.283 4.068 4.350 0.001 0.000 0.195 80 E C 2.015 178.528 176.600 -0.145 0.000 1.000 80 E CA 1.853 58.130 56.400 -0.205 0.000 0.803 80 E CB -0.222 29.436 29.700 -0.070 0.000 0.750 80 E HN 0.658 nan 8.360 nan 0.000 0.448 81 Q N -0.006 119.735 119.800 -0.099 0.000 2.112 81 Q HA -0.201 4.139 4.340 0.001 0.000 0.206 81 Q C 2.208 178.171 176.000 -0.063 0.000 0.987 81 Q CA 1.514 57.284 55.803 -0.054 0.000 0.858 81 Q CB -0.212 28.507 28.738 -0.033 0.000 0.905 81 Q HN 0.252 nan 8.270 nan 0.000 0.420 82 A N 0.410 123.163 122.820 -0.111 0.000 1.930 82 A HA -0.158 4.162 4.320 0.001 0.000 0.217 82 A C 1.946 179.493 177.584 -0.062 0.000 1.175 82 A CA 1.062 53.054 52.037 -0.075 0.000 0.627 82 A CB -0.354 18.595 19.000 -0.085 0.000 0.815 82 A HN 0.220 nan 8.150 nan 0.000 0.443 83 I N 0.222 120.678 120.570 -0.191 0.000 2.179 83 I HA -0.214 3.957 4.170 0.001 0.000 0.242 83 I C 2.883 178.961 176.117 -0.064 0.000 1.088 83 I CA 1.300 62.474 61.300 -0.209 0.000 1.357 83 I CB -0.791 36.926 38.000 -0.472 0.000 1.051 83 I HN 0.309 nan 8.210 nan 0.000 0.409 84 A N -0.274 122.519 122.820 -0.045 0.000 1.873 84 A HA -0.274 4.047 4.320 0.001 0.000 0.215 84 A C 2.143 179.745 177.584 0.031 0.000 1.186 84 A CA 2.105 54.146 52.037 0.007 0.000 0.616 84 A CB -1.012 17.993 19.000 0.008 0.000 0.823 84 A HN 0.434 nan 8.150 nan 0.000 0.442 85 D N -0.235 120.190 120.400 0.040 0.000 2.221 85 D HA -0.028 4.612 4.640 0.001 0.000 0.204 85 D C 1.751 178.124 176.300 0.122 0.000 0.982 85 D CA 1.363 55.417 54.000 0.090 0.000 0.857 85 D CB -0.123 40.752 40.800 0.125 0.000 0.934 85 D HN 0.356 nan 8.370 nan 0.000 0.475 86 A N -0.875 122.003 122.820 0.096 0.000 2.169 86 A HA 0.412 4.732 4.320 0.001 0.000 0.212 86 A C 1.853 179.485 177.584 0.080 0.000 1.153 86 A CA 0.976 53.074 52.037 0.101 0.000 0.756 86 A CB -0.427 18.620 19.000 0.079 0.000 0.813 86 A HN 0.437 nan 8.150 nan 0.000 0.471 87 G N -1.548 107.292 108.800 0.067 0.000 2.147 87 G HA2 -0.159 3.802 3.960 0.001 0.000 0.244 87 G HA3 -0.159 3.802 3.960 0.001 0.000 0.244 87 G C -0.235 174.712 174.900 0.079 0.000 1.005 87 G CA 0.252 45.389 45.100 0.061 0.000 0.713 87 G HN 0.339 nan 8.290 nan 0.000 0.515 88 L N 1.132 122.412 121.223 0.096 0.000 2.307 88 L HA 0.774 5.115 4.340 0.001 0.000 0.282 88 L C 0.592 177.596 176.870 0.223 0.000 1.051 88 L CA -0.526 54.411 54.840 0.162 0.000 0.804 88 L CB 1.631 43.787 42.059 0.162 0.000 1.197 88 L HN 0.135 nan 8.230 nan 0.000 0.431 89 S N 4.432 120.285 115.700 0.256 0.000 2.607 89 S HA 0.504 4.974 4.470 0.001 0.000 0.303 89 S C -1.792 172.919 174.600 0.184 0.000 1.086 89 S CA -0.985 57.350 58.200 0.224 0.000 0.995 89 S CB 1.859 65.124 63.200 0.108 0.000 1.084 89 S HN 0.421 nan 8.310 nan 0.000 0.507 90 P HA -0.226 nan 4.420 nan 0.000 0.216 90 P C 1.453 178.557 177.300 -0.327 0.000 1.157 90 P CA 1.267 64.118 63.100 -0.415 0.000 0.880 90 P CB -0.012 31.564 31.700 -0.206 0.000 0.791 91 E N -0.369 119.754 120.200 -0.129 0.000 2.273 91 E HA -0.197 4.154 4.350 0.001 0.000 0.198 91 E C 1.714 178.284 176.600 -0.050 0.000 1.002 91 E CA 1.810 58.161 56.400 -0.082 0.000 0.828 91 E CB -1.012 28.669 29.700 -0.032 0.000 0.747 91 E HN 0.264 nan 8.360 nan 0.000 0.491 92 A N 0.649 123.468 122.820 -0.002 0.000 1.956 92 A HA 0.041 4.361 4.320 0.001 0.000 0.212 92 A C 1.815 179.478 177.584 0.131 0.000 1.188 92 A CA 0.747 52.837 52.037 0.087 0.000 0.675 92 A CB -0.357 18.736 19.000 0.156 0.000 0.845 92 A HN 0.434 nan 8.150 nan 0.000 0.455 93 Y N -1.296 119.046 120.300 0.070 0.000 2.483 93 Y HA 0.435 4.985 4.550 0.001 0.000 0.258 93 Y C 0.693 176.627 175.900 0.057 0.000 1.083 93 Y CA -0.539 57.620 58.100 0.099 0.000 1.283 93 Y CB -0.132 38.457 38.460 0.215 0.000 1.178 93 Y HN 0.149 nan 8.280 nan 0.000 0.515 94 Q N 2.175 121.662 119.800 -0.522 0.000 2.259 94 Q HA 0.189 4.529 4.340 0.001 0.000 0.249 94 Q C -0.355 175.453 176.000 -0.321 0.000 0.914 94 Q CA -0.356 55.201 55.803 -0.409 0.000 0.904 94 Q CB 0.562 28.995 28.738 -0.509 0.000 1.213 94 Q HN 0.396 nan 8.270 nan 0.000 0.428 95 N N 1.771 120.172 118.700 -0.499 0.000 2.735 95 N HA -0.189 4.551 4.740 0.001 0.000 0.248 95 N C -1.195 174.077 175.510 -0.396 0.000 1.083 95 N CA 0.730 53.257 53.050 -0.871 0.000 0.703 95 N CB -1.129 37.086 38.487 -0.453 0.000 1.005 95 N HN 0.567 nan 8.380 nan 0.000 0.550 96 N N 0.126 118.704 118.700 -0.202 0.000 2.524 96 N HA 0.334 5.075 4.740 0.001 0.000 0.261 96 N C -1.894 173.664 175.510 0.080 0.000 0.998 96 N CA -1.855 51.188 53.050 -0.012 0.000 0.915 96 N CB 1.534 40.024 38.487 0.004 0.000 1.187 96 N HN -0.186 nan 8.380 nan 0.000 0.507 97 P HA -0.074 nan 4.420 nan 0.000 0.218 97 P C 0.440 177.774 177.300 0.056 0.000 1.146 97 P CA 1.216 64.382 63.100 0.109 0.000 0.813 97 P CB 0.320 32.069 31.700 0.081 0.000 0.778 98 R N -1.061 119.455 120.500 0.026 0.000 2.391 98 R HA 0.211 4.551 4.340 0.001 0.000 0.249 98 R C -0.366 175.902 176.300 -0.053 0.000 0.957 98 R CA 0.023 56.112 56.100 -0.019 0.000 1.093 98 R CB 0.335 30.614 30.300 -0.035 0.000 1.156 98 R HN 0.079 nan 8.270 nan 0.000 0.526 99 V N 0.332 120.243 119.914 -0.005 0.000 2.483 99 V HA 0.555 4.675 4.120 0.001 0.000 0.297 99 V C 0.324 176.447 176.094 0.048 0.000 1.027 99 V CA -0.753 61.544 62.300 -0.005 0.000 0.855 99 V CB 1.684 33.560 31.823 0.088 0.000 0.995 99 V HN 0.324 nan 8.190 nan 0.000 0.424 100 G N 3.676 112.473 108.800 -0.006 0.000 3.042 100 G HA2 0.815 4.775 3.960 0.001 0.000 0.278 100 G HA3 0.815 4.775 3.960 0.001 0.000 0.278 100 G C -1.668 173.262 174.900 0.051 0.000 1.371 100 G CA -0.655 44.452 45.100 0.013 0.000 1.009 100 G HN 0.575 nan 8.290 nan 0.000 0.523 101 L N 0.191 121.407 121.223 -0.012 0.000 2.505 101 L HA 0.635 4.976 4.340 0.001 0.000 0.266 101 L C -1.614 175.167 176.870 -0.148 0.000 0.954 101 L CA -0.630 54.210 54.840 -0.001 0.000 0.852 101 L CB 1.677 43.766 42.059 0.051 0.000 1.282 101 L HN 0.499 nan 8.230 nan 0.000 0.403 102 I N 4.946 125.433 120.570 -0.139 0.000 2.476 102 I HA 0.650 4.821 4.170 0.001 0.000 0.281 102 I C -0.417 175.663 176.117 -0.062 0.000 1.040 102 I CA -0.212 60.978 61.300 -0.184 0.000 1.094 102 I CB 1.814 39.680 38.000 -0.224 0.000 1.219 102 I HN 0.710 nan 8.210 nan 0.000 0.450 103 A N 4.298 127.107 122.820 -0.018 0.000 2.547 103 A HA 0.952 5.272 4.320 0.001 0.000 0.297 103 A C -0.719 176.891 177.584 0.045 0.000 1.056 103 A CA -0.418 51.627 52.037 0.013 0.000 0.688 103 A CB 1.821 20.826 19.000 0.009 0.000 1.282 103 A HN 0.742 nan 8.150 nan 0.000 0.400 104 G N -0.192 108.638 108.800 0.051 0.000 2.788 104 G HA2 0.811 4.771 3.960 0.001 0.000 0.293 104 G HA3 0.811 4.771 3.960 0.001 0.000 0.293 104 G C -0.515 174.419 174.900 0.057 0.000 1.392 104 G CA 0.178 45.316 45.100 0.063 0.000 0.810 104 G HN 1.788 nan 8.290 nan 0.000 0.508 105 S N -1.800 113.937 115.700 0.061 0.000 2.634 105 S HA 0.679 5.149 4.470 0.001 0.000 0.296 105 S C 1.071 175.708 174.600 0.063 0.000 1.104 105 S CA 0.151 58.385 58.200 0.058 0.000 0.920 105 S CB 1.638 64.875 63.200 0.060 0.000 1.111 105 S HN 1.403 nan 8.310 nan 0.000 0.493 106 G N -0.250 108.584 108.800 0.058 0.000 2.430 106 G HA2 0.315 4.275 3.960 0.001 0.000 0.216 106 G HA3 0.315 4.275 3.960 0.001 0.000 0.216 106 G C 0.867 175.823 174.900 0.095 0.000 1.146 106 G CA 0.408 45.551 45.100 0.071 0.000 0.793 106 G HN 1.121 nan 8.290 nan 0.000 0.537 107 G N -1.424 107.433 108.800 0.094 0.000 3.274 107 G HA2 0.462 4.422 3.960 0.001 0.000 0.250 107 G HA3 0.462 4.422 3.960 0.001 0.000 0.250 107 G C 1.017 175.965 174.900 0.081 0.000 1.024 107 G CA 0.877 46.038 45.100 0.101 0.000 0.840 107 G HN 1.147 nan 8.290 nan 0.000 0.522 108 G N 0.358 109.202 108.800 0.074 0.000 2.543 108 G HA2 -0.169 3.791 3.960 0.001 0.000 0.286 108 G HA3 -0.169 3.791 3.960 0.001 0.000 0.286 108 G C 0.307 175.252 174.900 0.076 0.000 1.153 108 G CA 0.609 45.751 45.100 0.070 0.000 0.968 108 G HN 1.343 nan 8.290 nan 0.000 0.544 109 S N 1.663 117.417 115.700 0.089 0.000 2.389 109 S HA 0.641 5.112 4.470 0.001 0.000 0.201 109 S C -1.125 173.529 174.600 0.090 0.000 1.422 109 S CA -0.005 58.263 58.200 0.114 0.000 1.216 109 S CB 1.637 64.960 63.200 0.205 0.000 1.130 109 S HN 0.308 nan 8.310 nan 0.000 0.465 110 P HA -0.179 nan 4.420 nan 0.000 0.216 110 P C 1.524 178.777 177.300 -0.079 0.000 1.154 110 P CA 0.952 64.037 63.100 -0.024 0.000 0.865 110 P CB 0.124 31.789 31.700 -0.058 0.000 0.789 111 R N -0.963 119.464 120.500 -0.122 0.000 2.080 111 R HA -0.142 4.198 4.340 0.001 0.000 0.236 111 R C 1.997 178.158 176.300 -0.231 0.000 1.137 111 R CA 1.814 57.759 56.100 -0.258 0.000 0.943 111 R CB -1.006 29.082 30.300 -0.355 0.000 0.846 111 R HN 0.111 nan 8.270 nan 0.000 0.431 112 F N 0.523 120.491 119.950 0.029 0.000 2.456 112 F HA -0.011 4.516 4.527 0.000 0.000 0.298 112 F C 2.659 178.550 175.800 0.151 0.000 1.104 112 F CA 0.436 58.499 58.000 0.105 0.000 1.435 112 F CB -0.049 38.971 39.000 0.034 0.000 1.078 112 F HN 0.086 nan 8.300 nan 0.000 0.546 113 Q N 0.352 120.280 119.800 0.214 0.000 2.061 113 Q HA -0.144 4.196 4.340 0.001 0.000 0.204 113 Q C 2.562 178.619 176.000 0.095 0.000 0.984 113 Q CA 1.517 57.401 55.803 0.135 0.000 0.846 113 Q CB -0.762 28.023 28.738 0.078 0.000 0.902 113 Q HN 0.273 nan 8.270 nan 0.000 0.421 114 V N 0.664 120.605 119.914 0.045 0.000 2.453 114 V HA -0.202 3.918 4.120 0.001 0.000 0.247 114 V C 2.045 178.168 176.094 0.047 0.000 1.048 114 V CA 1.521 63.830 62.300 0.016 0.000 1.049 114 V CB -0.761 31.029 31.823 -0.055 0.000 0.672 114 V HN 0.264 nan 8.190 nan 0.000 0.457 115 F N 2.210 122.131 119.950 -0.048 0.000 2.134 115 F HA -0.061 4.467 4.527 0.000 0.000 0.299 115 F C 2.169 177.998 175.800 0.047 0.000 1.097 115 F CA 1.780 59.770 58.000 -0.018 0.000 1.264 115 F CB -0.818 38.144 39.000 -0.065 0.000 1.001 115 F HN 0.134 nan 8.300 nan 0.000 0.479 116 G N -0.002 108.864 108.800 0.111 0.000 2.459 116 G HA2 -0.281 3.679 3.960 0.001 0.000 0.217 116 G HA3 -0.281 3.679 3.960 0.001 0.000 0.217 116 G C 1.836 176.672 174.900 -0.107 0.000 1.183 116 G CA 1.120 46.226 45.100 0.010 0.000 0.776 116 G HN 0.648 nan 8.290 nan 0.000 0.552 117 A N 1.079 123.871 122.820 -0.047 0.000 1.865 117 A HA -0.089 4.231 4.320 0.001 0.000 0.217 117 A C 2.128 179.659 177.584 -0.088 0.000 1.191 117 A CA 2.249 54.258 52.037 -0.047 0.000 0.623 117 A CB -0.618 18.375 19.000 -0.011 0.000 0.826 117 A HN 0.300 nan 8.150 nan 0.000 0.444 118 D N 0.097 120.430 120.400 -0.112 0.000 2.106 118 D HA -0.123 4.518 4.640 0.001 0.000 0.191 118 D C 2.251 178.435 176.300 -0.193 0.000 0.997 118 D CA 1.807 55.734 54.000 -0.122 0.000 0.834 118 D CB -0.574 40.164 40.800 -0.102 0.000 0.956 118 D HN 0.431 nan 8.370 nan 0.000 0.448 119 A N 0.540 123.136 122.820 -0.374 0.000 1.902 119 A HA -0.188 4.133 4.320 0.001 0.000 0.217 119 A C 2.158 179.624 177.584 -0.196 0.000 1.181 119 A CA 1.962 53.770 52.037 -0.382 0.000 0.623 119 A CB -0.582 17.994 19.000 -0.706 0.000 0.818 119 A HN 0.172 nan 8.150 nan 0.000 0.443 120 M N -0.205 119.300 119.600 -0.160 0.000 2.149 120 M HA -0.110 4.370 4.480 0.001 0.000 0.261 120 M C 1.840 178.103 176.300 -0.062 0.000 1.064 120 M CA 1.655 56.904 55.300 -0.085 0.000 1.102 120 M CB -0.456 32.109 32.600 -0.059 0.000 1.369 120 M HN 0.350 nan 8.290 nan 0.000 0.408 121 R N 0.046 120.509 120.500 -0.063 0.000 2.307 121 R HA 0.208 4.548 4.340 0.001 0.000 0.199 121 R C 1.179 177.456 176.300 -0.038 0.000 1.000 121 R CA 0.468 56.544 56.100 -0.040 0.000 1.023 121 R CB -0.656 29.625 30.300 -0.032 0.000 0.908 121 R HN 0.487 nan 8.270 nan 0.000 0.473 122 G N 0.990 109.759 108.800 -0.052 0.000 2.653 122 G HA2 0.089 4.049 3.960 0.001 0.000 0.265 122 G HA3 0.089 4.049 3.960 0.001 0.000 0.265 122 G C -1.454 173.430 174.900 -0.028 0.000 1.237 122 G CA -1.034 44.043 45.100 -0.039 0.000 0.946 122 G HN -0.021 nan 8.290 nan 0.000 0.522 123 P HA -0.035 nan 4.420 nan 0.000 0.223 123 P C 1.155 178.449 177.300 -0.011 0.000 1.151 123 P CA 0.821 63.914 63.100 -0.012 0.000 0.787 123 P CB 0.319 32.016 31.700 -0.006 0.000 0.788 124 R N -1.034 119.458 120.500 -0.014 0.000 2.334 124 R HA 0.239 4.579 4.340 0.001 0.000 0.212 124 R C 1.669 177.960 176.300 -0.015 0.000 0.897 124 R CA 0.572 56.666 56.100 -0.010 0.000 1.056 124 R CB -0.247 30.052 30.300 -0.002 0.000 1.046 124 R HN 0.145 nan 8.270 nan 0.000 0.513 125 G N 2.352 111.135 108.800 -0.027 0.000 2.660 125 G HA2 -0.393 3.567 3.960 0.001 0.000 0.321 125 G HA3 -0.393 3.567 3.960 0.001 0.000 0.321 125 G C 0.781 175.664 174.900 -0.028 0.000 1.246 125 G CA 0.419 45.501 45.100 -0.031 0.000 1.000 125 G HN 0.140 nan 8.290 nan 0.000 0.550 126 L N 1.409 122.621 121.223 -0.018 0.000 2.051 126 L HA -0.072 4.269 4.340 0.001 0.000 0.214 126 L C 2.860 179.727 176.870 -0.005 0.000 1.076 126 L CA 2.861 57.694 54.840 -0.011 0.000 0.758 126 L CB -0.956 41.097 42.059 -0.010 0.000 0.890 126 L HN 0.682 nan 8.230 nan 0.000 0.433 127 K N -1.331 119.067 120.400 -0.003 0.000 2.211 127 K HA -0.041 4.280 4.320 0.001 0.000 0.203 127 K C 1.941 178.555 176.600 0.024 0.000 1.050 127 K CA 1.077 57.368 56.287 0.006 0.000 0.945 127 K CB -0.138 32.365 32.500 0.005 0.000 0.732 127 K HN 0.329 nan 8.250 nan 0.000 0.451 128 A N 0.715 123.543 122.820 0.013 0.000 2.081 128 A HA 0.007 4.328 4.320 0.001 0.000 0.214 128 A C 2.219 179.830 177.584 0.044 0.000 1.158 128 A CA 0.428 52.480 52.037 0.025 0.000 0.724 128 A CB -0.099 18.884 19.000 -0.029 0.000 0.826 128 A HN 0.016 nan 8.150 nan 0.000 0.463 129 V N -0.207 119.716 119.914 0.016 0.000 2.307 129 V HA 0.171 4.292 4.120 0.001 0.000 0.245 129 V C 1.669 177.877 176.094 0.189 0.000 1.045 129 V CA 1.245 63.589 62.300 0.074 0.000 1.024 129 V CB -1.821 30.019 31.823 0.029 0.000 0.651 129 V HN 1.138 nan 8.190 nan 0.000 0.449 130 G N 0.626 109.477 108.800 0.085 0.000 2.846 130 G HA2 -0.153 3.807 3.960 0.001 0.000 0.660 130 G HA3 -0.153 3.807 3.960 0.001 0.000 0.660 130 G C -1.669 173.186 174.900 -0.075 0.000 1.464 130 G CA -0.080 45.033 45.100 0.022 0.000 0.891 130 G HN 0.350 nan 8.290 nan 0.000 0.552 131 P HA 0.225 nan 4.420 nan 0.000 0.257 131 P C 0.157 177.189 177.300 -0.447 0.000 1.325 131 P CA 0.724 63.580 63.100 -0.407 0.000 0.850 131 P CB -0.035 31.339 31.700 -0.543 0.000 1.324 132 Y N -1.887 118.429 120.300 0.026 0.000 2.500 132 Y HA 0.124 4.674 4.550 0.000 0.000 0.246 132 Y C 2.162 178.060 175.900 -0.002 0.000 1.146 132 Y CA -0.199 57.900 58.100 -0.002 0.000 1.230 132 Y CB -0.293 38.067 38.460 -0.166 0.000 1.214 132 Y HN -0.276 nan 8.280 nan 0.000 0.526 133 V N -1.263 118.744 119.914 0.155 0.000 2.548 133 V HA -0.197 3.923 4.120 0.001 0.000 0.249 133 V C 2.096 178.260 176.094 0.116 0.000 1.055 133 V CA 1.443 63.835 62.300 0.153 0.000 1.065 133 V CB -0.684 31.286 31.823 0.245 0.000 0.681 133 V HN 0.203 nan 8.190 nan 0.000 0.462 134 V N 1.337 121.314 119.914 0.106 0.000 2.332 134 V HA -0.278 3.842 4.120 0.001 0.000 0.248 134 V C 2.829 178.968 176.094 0.075 0.000 1.055 134 V CA 2.710 65.060 62.300 0.083 0.000 1.038 134 V CB -1.148 30.714 31.823 0.065 0.000 0.651 134 V HN 0.832 nan 8.190 nan 0.000 0.450 135 T N -2.165 112.448 114.554 0.097 0.000 2.904 135 T HA -0.145 4.206 4.350 0.001 0.000 0.267 135 T C 1.782 176.500 174.700 0.030 0.000 1.059 135 T CA 1.093 63.237 62.100 0.073 0.000 1.137 135 T CB -0.254 68.690 68.868 0.127 0.000 0.879 135 T HN 0.447 nan 8.240 nan 0.000 0.467 136 K N 1.303 121.694 120.400 -0.015 0.000 2.097 136 K HA 0.235 4.556 4.320 0.001 0.000 0.205 136 K C 2.568 179.175 176.600 0.011 0.000 1.050 136 K CA 1.186 57.398 56.287 -0.126 0.000 0.938 136 K CB -0.194 32.037 32.500 -0.448 0.000 0.718 136 K HN 0.462 nan 8.250 nan 0.000 0.442 137 A N 1.538 124.399 122.820 0.069 0.000 2.063 137 A HA 0.117 4.437 4.320 0.001 0.000 0.211 137 A C 1.162 178.792 177.584 0.078 0.000 1.177 137 A CA -0.226 51.876 52.037 0.109 0.000 0.759 137 A CB -0.256 18.826 19.000 0.136 0.000 0.857 137 A HN 0.299 nan 8.150 nan 0.000 0.468 138 M N -1.315 118.321 119.600 0.061 0.000 2.248 138 M HA 0.492 4.972 4.480 0.001 0.000 0.337 138 M C 0.929 177.260 176.300 0.052 0.000 1.121 138 M CA 0.435 55.767 55.300 0.052 0.000 1.155 138 M CB 0.604 33.230 32.600 0.043 0.000 1.514 138 M HN 0.065 nan 8.290 nan 0.000 0.452 139 A N 2.222 125.073 122.820 0.051 0.000 2.024 139 A HA -0.118 4.202 4.320 0.001 0.000 0.220 139 A C 1.994 179.612 177.584 0.057 0.000 1.164 139 A CA 2.039 54.109 52.037 0.055 0.000 0.643 139 A CB -0.945 18.085 19.000 0.052 0.000 0.806 139 A HN 1.016 nan 8.150 nan 0.000 0.451 140 S N -1.063 114.669 115.700 0.054 0.000 2.614 140 S HA 0.325 4.795 4.470 0.001 0.000 0.230 140 S C 1.617 176.246 174.600 0.050 0.000 0.952 140 S CA 0.576 58.811 58.200 0.060 0.000 0.949 140 S CB -0.273 62.965 63.200 0.064 0.000 0.786 140 S HN 0.583 nan 8.310 nan 0.000 0.478 141 G N 2.268 111.093 108.800 0.043 0.000 2.513 141 G HA2 -0.222 3.738 3.960 0.001 0.000 0.219 141 G HA3 -0.222 3.738 3.960 0.001 0.000 0.219 141 G C 1.303 176.226 174.900 0.038 0.000 1.160 141 G CA 1.320 46.439 45.100 0.032 0.000 0.767 141 G HN 0.479 nan 8.290 nan 0.000 0.571 142 V N 1.763 121.707 119.914 0.049 0.000 2.287 142 V HA -0.233 3.888 4.120 0.001 0.000 0.248 142 V C 3.299 179.435 176.094 0.070 0.000 1.053 142 V CA 2.591 64.927 62.300 0.061 0.000 1.027 142 V CB -0.670 31.190 31.823 0.060 0.000 0.646 142 V HN 0.653 nan 8.190 nan 0.000 0.447 143 S N 0.877 116.614 115.700 0.061 0.000 2.357 143 S HA -0.103 4.367 4.470 0.001 0.000 0.221 143 S C 2.149 176.785 174.600 0.059 0.000 1.031 143 S CA 1.224 59.458 58.200 0.056 0.000 0.982 143 S CB -0.622 62.608 63.200 0.051 0.000 0.853 143 S HN 0.566 nan 8.310 nan 0.000 0.458 144 A N 1.107 123.954 122.820 0.045 0.000 1.865 144 A HA -0.118 4.202 4.320 0.001 0.000 0.217 144 A C 2.489 180.082 177.584 0.014 0.000 1.191 144 A CA 1.729 53.776 52.037 0.018 0.000 0.623 144 A CB -1.597 17.399 19.000 -0.006 0.000 0.826 144 A HN 0.706 nan 8.150 nan 0.000 0.444 145 C N -0.659 118.659 119.300 0.030 0.000 2.437 145 C HA 0.091 4.551 4.460 0.001 0.000 0.283 145 C C 2.473 177.543 174.990 0.133 0.000 1.424 145 C CA 0.758 59.799 59.018 0.038 0.000 1.782 145 C CB -1.353 26.405 27.740 0.031 0.000 1.833 145 C HN 0.568 nan 8.230 nan 0.000 0.532 146 L N 0.073 121.415 121.223 0.198 0.000 2.286 146 L HA 0.106 4.446 4.340 0.001 0.000 0.203 146 L C 2.847 179.921 176.870 0.340 0.000 1.068 146 L CA 1.181 56.242 54.840 0.368 0.000 0.811 146 L CB -1.123 41.119 42.059 0.305 0.000 0.989 146 L HN 0.194 nan 8.230 nan 0.000 0.467 147 A N 0.283 123.218 122.820 0.191 0.000 1.972 147 A HA -0.149 4.172 4.320 0.001 0.000 0.219 147 A C 2.325 179.999 177.584 0.149 0.000 1.169 147 A CA 2.182 54.319 52.037 0.165 0.000 0.635 147 A CB -0.716 18.345 19.000 0.103 0.000 0.810 147 A HN 0.360 nan 8.150 nan 0.000 0.446 148 T N 0.522 115.129 114.554 0.089 0.000 2.668 148 T HA -0.060 4.291 4.350 0.001 0.000 0.262 148 T C -0.070 174.653 174.700 0.039 0.000 1.045 148 T CA 1.583 63.707 62.100 0.040 0.000 1.152 148 T CB -1.074 67.767 68.868 -0.044 0.000 0.864 148 T HN 0.490 nan 8.240 nan 0.000 0.419 149 P HA -0.002 nan 4.420 nan 0.000 0.219 149 P C 0.843 178.076 177.300 -0.112 0.000 1.150 149 P CA 1.062 64.117 63.100 -0.075 0.000 0.814 149 P CB -0.249 31.379 31.700 -0.119 0.000 0.787 150 F N 0.560 120.576 119.950 0.109 0.000 2.811 150 F HA 0.142 4.670 4.527 0.001 0.000 0.301 150 F C 1.112 176.971 175.800 0.098 0.000 1.151 150 F CA 0.253 58.318 58.000 0.108 0.000 1.412 150 F CB -0.502 38.504 39.000 0.010 0.000 1.113 150 F HN -0.149 nan 8.300 nan 0.000 0.579 151 K N 0.327 120.837 120.400 0.183 0.000 3.125 151 K HA -0.222 4.098 4.320 0.001 0.000 0.268 151 K C -0.177 176.484 176.600 0.102 0.000 1.078 151 K CA 0.377 56.720 56.287 0.094 0.000 0.775 151 K CB -2.419 30.061 32.500 -0.033 0.000 1.253 151 K HN 0.331 nan 8.250 nan 0.000 0.486 152 I N 0.802 121.497 120.570 0.209 0.000 2.496 152 I HA 0.004 4.174 4.170 0.001 0.000 0.285 152 I C 1.933 178.239 176.117 0.316 0.000 1.080 152 I CA 0.052 61.485 61.300 0.222 0.000 1.404 152 I CB 0.435 38.559 38.000 0.206 0.000 1.403 152 I HN 0.219 nan 8.210 nan 0.000 0.539 153 H N 3.561 122.674 119.070 0.073 0.000 2.885 153 H HA 0.169 4.725 4.556 0.000 0.000 0.260 153 H C 1.307 176.655 175.328 0.034 0.000 0.985 153 H CA -0.064 56.011 56.048 0.045 0.000 1.210 153 H CB 1.042 30.825 29.762 0.035 0.000 1.466 153 H HN 0.797 nan 8.280 nan 0.000 0.493 154 G N 1.170 110.059 108.800 0.149 0.000 2.624 154 G HA2 0.199 4.159 3.960 0.001 0.000 0.217 154 G HA3 0.199 4.159 3.960 0.001 0.000 0.217 154 G C 0.206 175.130 174.900 0.039 0.000 1.506 154 G CA 0.102 45.244 45.100 0.071 0.000 1.072 154 G HN 0.124 nan 8.290 nan 0.000 0.568 155 V N -0.869 119.041 119.914 -0.006 0.000 2.901 155 V HA 0.410 4.530 4.120 0.001 0.000 0.307 155 V C -0.161 175.861 176.094 -0.120 0.000 1.084 155 V CA -0.142 62.123 62.300 -0.059 0.000 1.184 155 V CB 1.088 32.820 31.823 -0.152 0.000 0.941 155 V HN 0.763 nan 8.190 nan 0.000 0.493 156 N N 3.198 121.825 118.700 -0.123 0.000 2.747 156 N HA 0.464 5.205 4.740 0.001 0.000 0.262 156 N C -1.272 174.248 175.510 0.017 0.000 1.261 156 N CA -0.599 52.401 53.050 -0.083 0.000 0.809 156 N CB 1.062 39.562 38.487 0.021 0.000 1.450 156 N HN 0.985 nan 8.380 nan 0.000 0.560 157 Y N -0.926 119.394 120.300 0.033 0.000 2.713 157 Y HA 0.711 5.261 4.550 0.000 0.000 0.335 157 Y C -1.036 174.882 175.900 0.029 0.000 1.222 157 Y CA -1.165 56.950 58.100 0.026 0.000 1.061 157 Y CB 0.417 38.889 38.460 0.019 0.000 1.314 157 Y HN 0.091 nan 8.280 nan 0.000 0.453 158 S N 1.493 117.360 115.700 0.278 0.000 2.565 158 S HA 0.731 5.201 4.470 0.001 0.000 0.290 158 S C -0.633 174.107 174.600 0.234 0.000 1.150 158 S CA -0.733 57.583 58.200 0.192 0.000 1.058 158 S CB 0.969 64.241 63.200 0.119 0.000 1.032 158 S HN 0.531 nan 8.310 nan 0.000 0.510 159 I N 1.676 122.357 120.570 0.184 0.000 2.460 159 I HA 0.453 4.623 4.170 0.001 0.000 0.298 159 I C 0.024 176.205 176.117 0.106 0.000 0.989 159 I CA -0.349 61.035 61.300 0.140 0.000 1.173 159 I CB 1.932 40.026 38.000 0.157 0.000 1.338 159 I HN 0.465 nan 8.210 nan 0.000 0.456 160 S N 2.975 118.722 115.700 0.078 0.000 2.561 160 S HA 0.577 5.048 4.470 0.001 0.000 0.303 160 S C -0.264 174.380 174.600 0.074 0.000 1.110 160 S CA -0.434 57.813 58.200 0.079 0.000 1.034 160 S CB 0.979 64.220 63.200 0.068 0.000 1.010 160 S HN 0.688 nan 8.310 nan 0.000 0.482 161 S N 2.923 118.691 115.700 0.113 0.000 2.686 161 S HA 0.618 5.088 4.470 0.001 0.000 0.223 161 S C 0.641 175.326 174.600 0.141 0.000 0.885 161 S CA 0.045 58.324 58.200 0.131 0.000 1.115 161 S CB -0.189 63.125 63.200 0.190 0.000 1.459 161 S HN 1.839 nan 8.310 nan 0.000 0.444 162 A N 0.768 123.653 122.820 0.108 0.000 5.308 162 A HA -0.340 3.980 4.320 0.001 0.000 0.321 162 A C 1.646 179.244 177.584 0.024 0.000 1.849 162 A CA 1.347 53.428 52.037 0.074 0.000 0.713 162 A CB -2.151 16.904 19.000 0.093 0.000 1.360 162 A HN 1.391 nan 8.150 nan 0.000 0.384 163 C N 0.492 119.782 119.300 -0.018 0.000 2.539 163 C HA 0.466 4.926 4.460 0.001 0.000 0.271 163 C C 2.467 177.474 174.990 0.028 0.000 1.412 163 C CA 0.890 59.919 59.018 0.019 0.000 1.729 163 C CB -1.594 26.220 27.740 0.123 0.000 1.739 163 C HN 1.344 nan 8.230 nan 0.000 0.570 164 A N -0.063 122.774 122.820 0.029 0.000 2.465 164 A HA 0.183 4.503 4.320 0.001 0.000 0.255 164 A C 1.810 179.427 177.584 0.054 0.000 1.274 164 A CA 0.450 52.476 52.037 -0.020 0.000 0.920 164 A CB -0.471 18.535 19.000 0.009 0.000 1.033 164 A HN 0.422 nan 8.150 nan 0.000 0.516 165 T N 1.153 115.763 114.554 0.094 0.000 2.595 165 T HA -0.186 4.164 4.350 0.001 0.000 0.264 165 T C 2.322 177.076 174.700 0.090 0.000 1.058 165 T CA 2.408 64.585 62.100 0.128 0.000 1.166 165 T CB -0.334 68.582 68.868 0.080 0.000 0.863 165 T HN 0.768 nan 8.240 nan 0.000 0.415 166 S N 1.471 117.184 115.700 0.021 0.000 2.481 166 S HA 0.211 4.682 4.470 0.001 0.000 0.231 166 S C 2.265 176.832 174.600 -0.054 0.000 0.996 166 S CA 0.672 58.864 58.200 -0.012 0.000 0.942 166 S CB -0.382 62.797 63.200 -0.035 0.000 0.768 166 S HN 0.497 nan 8.310 nan 0.000 0.520 167 A N 1.901 124.670 122.820 -0.085 0.000 1.897 167 A HA -0.003 4.318 4.320 0.001 0.000 0.215 167 A C 1.903 179.401 177.584 -0.144 0.000 1.181 167 A CA 1.361 53.310 52.037 -0.147 0.000 0.620 167 A CB -1.045 17.831 19.000 -0.206 0.000 0.821 167 A HN 0.666 nan 8.150 nan 0.000 0.443 168 H N -1.445 117.642 119.070 0.027 0.000 2.421 168 H HA -0.133 4.423 4.556 0.000 0.000 0.298 168 H C 2.195 177.501 175.328 -0.037 0.000 1.087 168 H CA 1.412 57.497 56.048 0.061 0.000 1.330 168 H CB -0.250 29.584 29.762 0.119 0.000 1.388 168 H HN 0.529 nan 8.280 nan 0.000 0.526 169 C N 0.235 119.581 119.300 0.077 0.000 2.413 169 C HA -0.148 4.312 4.460 0.001 0.000 0.276 169 C C 2.698 177.637 174.990 -0.085 0.000 1.236 169 C CA 0.893 59.920 59.018 0.014 0.000 1.735 169 C CB -0.850 26.895 27.740 0.007 0.000 2.031 169 C HN 0.519 nan 8.230 nan 0.000 0.474 170 I N 0.989 121.474 120.570 -0.141 0.000 2.202 170 I HA -0.103 4.067 4.170 0.001 0.000 0.242 170 I C 2.736 178.653 176.117 -0.332 0.000 1.091 170 I CA 1.834 63.013 61.300 -0.202 0.000 1.368 170 I CB -0.923 36.963 38.000 -0.189 0.000 1.058 170 I HN 0.438 nan 8.210 nan 0.000 0.410 171 G N 0.313 108.752 108.800 -0.602 0.000 2.422 171 G HA2 -0.286 3.674 3.960 0.001 0.000 0.218 171 G HA3 -0.286 3.674 3.960 0.001 0.000 0.218 171 G C 1.412 175.935 174.900 -0.629 0.000 1.146 171 G CA 1.012 45.343 45.100 -1.281 0.000 0.769 171 G HN 0.314 nan 8.290 nan 0.000 0.547 172 N N 0.548 119.086 118.700 -0.270 0.000 2.188 172 N HA 0.047 4.787 4.740 0.001 0.000 0.184 172 N C 2.434 177.914 175.510 -0.050 0.000 1.018 172 N CA 1.185 54.218 53.050 -0.028 0.000 0.858 172 N CB -0.202 38.348 38.487 0.105 0.000 0.989 172 N HN 0.265 nan 8.380 nan 0.000 0.426 173 A N -0.068 122.684 122.820 -0.113 0.000 1.883 173 A HA -0.113 4.207 4.320 0.001 0.000 0.217 173 A C 2.329 179.844 177.584 -0.115 0.000 1.186 173 A CA 1.438 53.402 52.037 -0.122 0.000 0.624 173 A CB -0.953 17.959 19.000 -0.147 0.000 0.822 173 A HN 0.137 nan 8.150 nan 0.000 0.444 174 V N 0.179 120.009 119.914 -0.139 0.000 2.287 174 V HA -0.313 3.807 4.120 0.001 0.000 0.248 174 V C 2.432 178.500 176.094 -0.042 0.000 1.053 174 V CA 2.440 64.681 62.300 -0.099 0.000 1.027 174 V CB -0.911 30.843 31.823 -0.115 0.000 0.646 174 V HN 0.661 nan 8.190 nan 0.000 0.447 175 E N -0.628 119.563 120.200 -0.016 0.000 2.118 175 E HA -0.255 4.095 4.350 0.001 0.000 0.195 175 E C 2.387 178.999 176.600 0.020 0.000 0.992 175 E CA 1.161 57.583 56.400 0.037 0.000 0.804 175 E CB -0.163 29.590 29.700 0.088 0.000 0.741 175 E HN 0.557 nan 8.360 nan 0.000 0.458 176 Q N 0.230 120.031 119.800 0.002 0.000 2.084 176 Q HA -0.163 4.177 4.340 0.001 0.000 0.202 176 Q C 2.295 178.280 176.000 -0.025 0.000 0.978 176 Q CA 1.121 56.921 55.803 -0.006 0.000 0.844 176 Q CB -0.252 28.470 28.738 -0.027 0.000 0.898 176 Q HN 0.316 nan 8.270 nan 0.000 0.426 177 I N 1.004 121.547 120.570 -0.044 0.000 2.202 177 I HA -0.275 3.895 4.170 0.001 0.000 0.242 177 I C 2.459 178.562 176.117 -0.023 0.000 1.091 177 I CA 1.269 62.540 61.300 -0.048 0.000 1.368 177 I CB -0.350 37.611 38.000 -0.066 0.000 1.058 177 I HN 0.195 nan 8.210 nan 0.000 0.410 178 Q N -0.117 119.678 119.800 -0.009 0.000 2.181 178 Q HA -0.162 4.178 4.340 0.001 0.000 0.205 178 Q C 2.124 178.130 176.000 0.009 0.000 0.980 178 Q CA 1.286 57.092 55.803 0.006 0.000 0.862 178 Q CB -0.214 28.537 28.738 0.022 0.000 0.905 178 Q HN 0.494 nan 8.270 nan 0.000 0.429 179 L N -0.860 120.368 121.223 0.009 0.000 2.599 179 L HA 0.080 4.421 4.340 0.001 0.000 0.230 179 L C 1.169 178.042 176.870 0.005 0.000 1.141 179 L CA 0.388 55.235 54.840 0.011 0.000 0.877 179 L CB -0.064 42.006 42.059 0.018 0.000 1.009 179 L HN 0.421 nan 8.230 nan 0.000 0.447 180 G N 0.120 108.919 108.800 -0.003 0.000 2.155 180 G HA2 -0.335 3.626 3.960 0.001 0.000 0.257 180 G HA3 -0.335 3.626 3.960 0.001 0.000 0.257 180 G C 1.020 175.915 174.900 -0.009 0.000 0.983 180 G CA 0.666 45.763 45.100 -0.006 0.000 0.676 180 G HN 0.393 nan 8.290 nan 0.000 0.528 181 K N -0.900 119.495 120.400 -0.009 0.000 2.243 181 K HA 0.115 4.435 4.320 0.001 0.000 0.201 181 K C 0.977 177.565 176.600 -0.021 0.000 1.051 181 K CA 0.792 57.076 56.287 -0.005 0.000 0.970 181 K CB 0.074 32.579 32.500 0.008 0.000 0.755 181 K HN 0.414 nan 8.250 nan 0.000 0.465 182 Q N -0.231 119.543 119.800 -0.044 0.000 2.389 182 Q HA 0.136 4.477 4.340 0.001 0.000 0.277 182 Q C -0.499 175.428 176.000 -0.121 0.000 1.082 182 Q CA -0.356 55.400 55.803 -0.078 0.000 0.810 182 Q CB 2.060 30.746 28.738 -0.088 0.000 1.374 182 Q HN -0.057 nan 8.270 nan 0.000 0.422 183 D N 0.316 120.606 120.400 -0.184 0.000 2.259 183 D HA 0.155 4.796 4.640 0.001 0.000 0.216 183 D C 0.167 176.255 176.300 -0.353 0.000 0.961 183 D CA 0.981 54.794 54.000 -0.311 0.000 0.878 183 D CB 0.771 41.253 40.800 -0.529 0.000 1.009 183 D HN 0.321 nan 8.370 nan 0.000 0.490 184 I N 0.408 120.776 120.570 -0.338 0.000 2.545 184 I HA 0.228 4.398 4.170 0.001 0.000 0.292 184 I C -0.766 175.127 176.117 -0.374 0.000 1.040 184 I CA -0.776 60.289 61.300 -0.391 0.000 1.068 184 I CB 2.695 40.407 38.000 -0.480 0.000 1.251 184 I HN -0.372 nan 8.210 nan 0.000 0.424 185 V N 5.971 125.644 119.914 -0.402 0.000 2.525 185 V HA 0.416 4.537 4.120 0.001 0.000 0.299 185 V C -0.625 175.218 176.094 -0.418 0.000 1.034 185 V CA -0.728 61.369 62.300 -0.337 0.000 0.863 185 V CB 1.372 33.073 31.823 -0.204 0.000 0.999 185 V HN 0.371 nan 8.190 nan 0.000 0.423 186 F N 3.374 123.224 119.950 -0.167 0.000 2.472 186 F HA 0.639 5.167 4.527 0.001 0.000 0.364 186 F C 0.766 176.465 175.800 -0.169 0.000 1.090 186 F CA 0.073 57.956 58.000 -0.194 0.000 1.188 186 F CB 0.931 39.778 39.000 -0.256 0.000 1.105 186 F HN 0.585 nan 8.300 nan 0.000 0.536 187 A N 2.585 125.397 122.820 -0.014 0.000 2.414 187 A HA 0.934 5.254 4.320 0.001 0.000 0.306 187 A C 0.001 177.553 177.584 -0.054 0.000 1.054 187 A CA 0.094 52.098 52.037 -0.055 0.000 0.724 187 A CB 1.512 20.453 19.000 -0.099 0.000 1.267 187 A HN 1.033 nan 8.150 nan 0.000 0.418 188 G N -0.189 108.583 108.800 -0.045 0.000 2.564 188 G HA2 0.724 4.684 3.960 0.001 0.000 0.139 188 G HA3 0.724 4.684 3.960 0.001 0.000 0.139 188 G C -0.010 174.878 174.900 -0.020 0.000 1.147 188 G CA 0.543 45.615 45.100 -0.047 0.000 1.031 188 G HN 2.497 nan 8.290 nan 0.000 0.482 189 G N -2.079 106.715 108.800 -0.010 0.000 2.315 189 G HA2 0.767 4.727 3.960 0.001 0.000 0.294 189 G HA3 0.767 4.727 3.960 0.001 0.000 0.294 189 G C -0.473 174.448 174.900 0.036 0.000 1.300 189 G CA 0.783 45.893 45.100 0.017 0.000 0.843 189 G HN 2.150 nan 8.290 nan 0.000 0.527 190 G N -1.324 107.512 108.800 0.060 0.000 2.684 190 G HA2 0.718 4.679 3.960 0.001 0.000 0.290 190 G HA3 0.718 4.679 3.960 0.001 0.000 0.290 190 G C -1.906 173.053 174.900 0.099 0.000 1.425 190 G CA -0.229 44.933 45.100 0.104 0.000 0.822 190 G HN 0.764 nan 8.290 nan 0.000 0.482 191 E N -0.328 119.962 120.200 0.151 0.000 2.321 191 E HA 0.343 4.694 4.350 0.001 0.000 0.281 191 E C -0.281 176.426 176.600 0.178 0.000 0.910 191 E CA -0.667 55.801 56.400 0.112 0.000 0.770 191 E CB 1.506 31.235 29.700 0.049 0.000 1.225 191 E HN 0.714 nan 8.360 nan 0.000 0.417 192 E N 3.142 123.408 120.200 0.111 0.000 2.371 192 E HA 0.399 4.750 4.350 0.001 0.000 0.257 192 E C -0.786 175.867 176.600 0.088 0.000 1.134 192 E CA -0.800 55.661 56.400 0.103 0.000 0.919 192 E CB 1.106 30.825 29.700 0.032 0.000 1.025 192 E HN 0.249 nan 8.360 nan 0.000 0.438 193 L N 2.484 123.742 121.223 0.059 0.000 2.372 193 L HA 0.450 4.790 4.340 0.001 0.000 0.274 193 L C -1.331 175.575 176.870 0.061 0.000 0.988 193 L CA -0.386 54.456 54.840 0.003 0.000 0.833 193 L CB 0.821 42.756 42.059 -0.208 0.000 1.236 193 L HN 0.931 nan 8.230 nan 0.000 0.410 194 C N 2.235 121.630 119.300 0.159 0.000 3.307 194 C HA 0.439 4.900 4.460 0.001 0.000 0.333 194 C C 1.093 176.192 174.990 0.182 0.000 1.291 194 C CA -0.928 58.189 59.018 0.165 0.000 1.273 194 C CB 0.646 28.354 27.740 -0.054 0.000 1.580 194 C HN 1.049 nan 8.230 nan 0.000 0.481 195 W N 1.026 122.438 121.300 0.187 0.000 2.402 195 W HA 0.014 4.674 4.660 0.000 0.000 0.286 195 W C 1.090 177.679 176.519 0.117 0.000 1.221 195 W CA 1.880 59.302 57.345 0.130 0.000 1.257 195 W CB -1.040 28.460 29.460 0.067 0.000 1.120 195 W HN 0.882 nan 8.180 nan 0.000 0.551 196 E N 0.883 120.507 120.200 -0.960 0.000 2.097 196 E HA -0.270 4.081 4.350 0.001 0.000 0.196 196 E C 2.333 178.789 176.600 -0.241 0.000 1.000 196 E CA 2.791 58.637 56.400 -0.924 0.000 0.804 196 E CB -0.674 28.492 29.700 -0.890 0.000 0.740 196 E HN 0.351 nan 8.360 nan 0.000 0.454 197 M N -0.501 119.051 119.600 -0.079 0.000 2.216 197 M HA 0.049 4.529 4.480 0.001 0.000 0.264 197 M C 2.107 178.579 176.300 0.286 0.000 1.080 197 M CA 1.401 56.770 55.300 0.115 0.000 1.153 197 M CB 0.069 32.765 32.600 0.160 0.000 1.356 197 M HN 0.155 nan 8.290 nan 0.000 0.432 198 A N 0.189 123.183 122.820 0.290 0.000 1.978 198 A HA -0.221 4.099 4.320 0.001 0.000 0.220 198 A C 2.334 180.120 177.584 0.336 0.000 1.170 198 A CA 1.747 53.999 52.037 0.359 0.000 0.636 198 A CB -1.715 17.462 19.000 0.295 0.000 0.810 198 A HN 0.874 nan 8.150 nan 0.000 0.448 199 C N -0.573 118.901 119.300 0.291 0.000 2.422 199 C HA -0.056 4.405 4.460 0.001 0.000 0.279 199 C C 2.162 177.259 174.990 0.179 0.000 1.305 199 C CA 1.012 60.179 59.018 0.248 0.000 1.757 199 C CB -1.518 26.416 27.740 0.322 0.000 1.962 199 C HN 0.658 nan 8.230 nan 0.000 0.499 200 E N 0.566 120.853 120.200 0.144 0.000 2.077 200 E HA -0.116 4.234 4.350 0.001 0.000 0.193 200 E C 1.748 178.323 176.600 -0.041 0.000 0.989 200 E CA 1.526 57.929 56.400 0.004 0.000 0.800 200 E CB -0.338 29.295 29.700 -0.111 0.000 0.746 200 E HN 0.799 nan 8.360 nan 0.000 0.452 201 F N 0.908 120.946 119.950 0.147 0.000 2.367 201 F HA -0.096 4.431 4.527 0.000 0.000 0.298 201 F C 2.168 178.006 175.800 0.062 0.000 1.094 201 F CA 0.767 58.864 58.000 0.161 0.000 1.409 201 F CB 0.004 39.119 39.000 0.192 0.000 1.064 201 F HN -0.041 nan 8.300 nan 0.000 0.528 202 D N 0.340 120.863 120.400 0.205 0.000 2.123 202 D HA -0.102 4.539 4.640 0.001 0.000 0.200 202 D C 2.301 178.649 176.300 0.079 0.000 0.976 202 D CA 1.215 55.277 54.000 0.103 0.000 0.831 202 D CB -0.229 40.626 40.800 0.092 0.000 0.974 202 D HN 0.138 nan 8.370 nan 0.000 0.469 203 A N 0.871 123.738 122.820 0.078 0.000 2.076 203 A HA -0.141 4.179 4.320 0.001 0.000 0.220 203 A C 2.187 179.793 177.584 0.036 0.000 1.160 203 A CA 1.750 53.816 52.037 0.049 0.000 0.653 203 A CB -0.804 18.221 19.000 0.042 0.000 0.801 203 A HN 0.522 nan 8.150 nan 0.000 0.455 204 M N -3.186 116.443 119.600 0.049 0.000 2.431 204 M HA 0.447 4.927 4.480 0.001 0.000 0.237 204 M C 1.051 177.392 176.300 0.069 0.000 1.130 204 M CA 0.788 56.114 55.300 0.042 0.000 1.002 204 M CB 0.093 32.706 32.600 0.021 0.000 1.524 204 M HN 0.604 nan 8.290 nan 0.000 0.482 205 G N 0.704 109.547 108.800 0.071 0.000 2.148 205 G HA2 -0.308 3.653 3.960 0.001 0.000 0.254 205 G HA3 -0.308 3.653 3.960 0.001 0.000 0.254 205 G C 0.850 175.800 174.900 0.083 0.000 0.981 205 G CA 0.446 45.583 45.100 0.062 0.000 0.670 205 G HN 0.772 nan 8.290 nan 0.000 0.528 206 A N -0.796 122.101 122.820 0.129 0.000 2.119 206 A HA 0.597 4.917 4.320 0.001 0.000 0.216 206 A C 1.259 178.755 177.584 -0.147 0.000 1.152 206 A CA 0.807 52.944 52.037 0.168 0.000 0.708 206 A CB 0.083 19.383 19.000 0.499 0.000 0.805 206 A HN 0.651 nan 8.150 nan 0.000 0.460 207 L N 0.237 121.333 121.223 -0.211 0.000 2.325 207 L HA 0.308 4.649 4.340 0.001 0.000 0.279 207 L C 0.694 177.481 176.870 -0.138 0.000 1.054 207 L CA -0.565 54.062 54.840 -0.354 0.000 0.804 207 L CB 1.642 43.542 42.059 -0.265 0.000 1.200 207 L HN 0.191 nan 8.230 nan 0.000 0.436 208 S N 0.589 116.231 115.700 -0.096 0.000 2.549 208 S HA 0.079 4.550 4.470 0.001 0.000 0.286 208 S C 0.851 175.451 174.600 0.000 0.000 1.314 208 S CA 0.241 58.456 58.200 0.025 0.000 1.062 208 S CB 0.469 63.729 63.200 0.099 0.000 0.865 208 S HN 0.831 nan 8.310 nan 0.000 0.498 209 T N 1.541 116.095 114.554 -0.000 0.000 3.009 209 T HA 0.336 4.686 4.350 0.001 0.000 0.267 209 T C 1.059 175.696 174.700 -0.105 0.000 0.942 209 T CA -0.436 61.616 62.100 -0.080 0.000 0.883 209 T CB -0.056 68.757 68.868 -0.092 0.000 1.192 209 T HN 0.593 nan 8.240 nan 0.000 0.524 210 K N 0.135 120.469 120.400 -0.111 0.000 2.356 210 K HA 0.199 4.519 4.320 0.001 0.000 0.195 210 K C 0.005 176.365 176.600 -0.400 0.000 1.037 210 K CA 0.545 56.646 56.287 -0.309 0.000 1.014 210 K CB 0.151 32.359 32.500 -0.487 0.000 0.815 210 K HN 0.452 nan 8.250 nan 0.000 0.507 211 Y N 0.643 120.940 120.300 -0.005 0.000 2.756 211 Y HA 0.175 4.726 4.550 0.000 0.000 0.300 211 Y C 0.921 176.842 175.900 0.035 0.000 1.113 211 Y CA -0.556 57.553 58.100 0.015 0.000 1.291 211 Y CB 0.017 38.491 38.460 0.024 0.000 1.175 211 Y HN -0.000 nan 8.280 nan 0.000 0.534 212 N N 0.425 119.195 118.700 0.117 0.000 2.381 212 N HA -0.151 4.589 4.740 0.001 0.000 0.182 212 N C 0.967 176.600 175.510 0.205 0.000 1.025 212 N CA 1.242 54.394 53.050 0.169 0.000 0.888 212 N CB 0.033 38.601 38.487 0.135 0.000 0.965 212 N HN 0.525 nan 8.380 nan 0.000 0.438 213 D N -0.161 120.313 120.400 0.124 0.000 2.323 213 D HA -0.021 4.619 4.640 0.001 0.000 0.209 213 D C 0.281 176.632 176.300 0.084 0.000 0.973 213 D CA 0.778 54.823 54.000 0.075 0.000 0.874 213 D CB 0.292 41.111 40.800 0.032 0.000 0.930 213 D HN 0.295 nan 8.370 nan 0.000 0.521 214 T N -1.372 113.260 114.554 0.130 0.000 3.327 214 T HA 0.318 4.668 4.350 0.001 0.000 0.373 214 T C -2.345 172.438 174.700 0.139 0.000 1.589 214 T CA -1.767 60.407 62.100 0.124 0.000 1.497 214 T CB 1.782 70.729 68.868 0.132 0.000 1.032 214 T HN -0.285 nan 8.240 nan 0.000 0.640 215 P HA -0.105 nan 4.420 nan 0.000 0.216 215 P C 1.241 178.599 177.300 0.096 0.000 1.150 215 P CA 1.143 64.330 63.100 0.145 0.000 0.843 215 P CB 0.146 31.951 31.700 0.176 0.000 0.787 216 E N -0.603 119.640 120.200 0.072 0.000 2.516 216 E HA -0.072 4.279 4.350 0.001 0.000 0.199 216 E C 1.153 177.752 176.600 -0.002 0.000 1.069 216 E CA 0.575 56.998 56.400 0.038 0.000 0.876 216 E CB -0.172 29.549 29.700 0.034 0.000 0.843 216 E HN 0.406 nan 8.360 nan 0.000 0.530 217 K N -0.466 119.922 120.400 -0.020 0.000 2.374 217 K HA 0.240 4.560 4.320 0.001 0.000 0.202 217 K C 1.580 177.989 176.600 -0.318 0.000 1.040 217 K CA 0.170 56.383 56.287 -0.123 0.000 1.085 217 K CB 0.973 33.423 32.500 -0.083 0.000 0.873 217 K HN -0.041 nan 8.250 nan 0.000 0.539 218 A N 1.312 124.032 122.820 -0.167 0.000 1.930 218 A HA -0.036 4.284 4.320 0.001 0.000 0.217 218 A C 1.379 178.864 177.584 -0.164 0.000 1.175 218 A CA 1.061 53.000 52.037 -0.163 0.000 0.627 218 A CB 0.017 19.068 19.000 0.084 0.000 0.815 218 A HN 0.125 nan 8.150 nan 0.000 0.443 219 S N 0.390 116.034 115.700 -0.093 0.000 2.399 219 S HA 0.451 4.921 4.470 0.001 0.000 0.301 219 S C 0.218 174.753 174.600 -0.107 0.000 1.093 219 S CA -0.673 57.490 58.200 -0.061 0.000 1.077 219 S CB -0.171 63.023 63.200 -0.010 0.000 0.980 219 S HN 0.511 nan 8.310 nan 0.000 0.494 220 R N 2.396 122.824 120.500 -0.120 0.000 2.593 220 R HA 0.231 4.572 4.340 0.001 0.000 0.258 220 R C -0.621 175.620 176.300 -0.100 0.000 1.410 220 R CA -0.648 55.382 56.100 -0.115 0.000 1.537 220 R CB -0.783 29.417 30.300 -0.166 0.000 1.362 220 R HN 0.375 nan 8.270 nan 0.000 0.734 221 T N 1.594 116.049 114.554 -0.165 0.000 2.891 221 T HA -0.099 4.251 4.350 0.001 0.000 0.296 221 T C 0.188 174.730 174.700 -0.264 0.000 1.025 221 T CA 1.114 63.003 62.100 -0.352 0.000 1.149 221 T CB -0.161 68.367 68.868 -0.567 0.000 1.007 221 T HN 0.642 nan 8.240 nan 0.000 0.528 222 Y N -1.547 118.759 120.300 0.011 0.000 4.894 222 Y HA -0.262 4.288 4.550 0.001 0.000 0.270 222 Y C 0.801 176.709 175.900 0.014 0.000 0.930 222 Y CA 0.540 58.648 58.100 0.014 0.000 1.814 222 Y CB -1.502 36.965 38.460 0.011 0.000 1.235 222 Y HN 0.701 nan 8.280 nan 0.000 0.480 223 D N 0.911 121.382 120.400 0.120 0.000 2.345 223 D HA 0.516 5.157 4.640 0.001 0.000 0.247 223 D C 1.121 177.462 176.300 0.068 0.000 1.108 223 D CA 0.736 54.792 54.000 0.094 0.000 0.894 223 D CB 1.386 42.228 40.800 0.070 0.000 1.203 223 D HN 0.243 nan 8.370 nan 0.000 0.430 224 A N 3.117 125.953 122.820 0.027 0.000 2.125 224 A HA -0.162 4.159 4.320 0.001 0.000 0.219 224 A C 1.036 178.461 177.584 -0.265 0.000 1.156 224 A CA 1.323 53.282 52.037 -0.129 0.000 0.671 224 A CB -0.503 18.363 19.000 -0.223 0.000 0.794 224 A HN 0.780 nan 8.150 nan 0.000 0.459 225 H N -0.858 118.274 119.070 0.102 0.000 2.486 225 H HA 0.174 4.730 4.556 0.000 0.000 0.284 225 H C 0.562 176.011 175.328 0.202 0.000 1.103 225 H CA -0.391 55.749 56.048 0.153 0.000 1.089 225 H CB 0.154 30.033 29.762 0.194 0.000 1.603 225 H HN 0.570 nan 8.280 nan 0.000 0.557 226 R N 1.567 122.174 120.500 0.178 0.000 2.679 226 R HA 0.001 4.342 4.340 0.001 0.000 0.268 226 R C -0.509 175.900 176.300 0.181 0.000 1.044 226 R CA 0.491 56.676 56.100 0.142 0.000 1.105 226 R CB 0.523 30.858 30.300 0.058 0.000 0.989 226 R HN 0.258 nan 8.270 nan 0.000 0.447 227 D N 0.837 121.357 120.400 0.200 0.000 2.692 227 D HA 0.225 4.865 4.640 0.001 0.000 0.290 227 D C 0.131 176.501 176.300 0.117 0.000 1.455 227 D CA 0.099 54.197 54.000 0.163 0.000 0.796 227 D CB 0.443 41.353 40.800 0.183 0.000 1.131 227 D HN 0.908 nan 8.370 nan 0.000 0.467 228 G N 0.520 109.388 108.800 0.113 0.000 2.392 228 G HA2 0.212 4.172 3.960 0.001 0.000 0.677 228 G HA3 0.212 4.172 3.960 0.001 0.000 0.677 228 G C -0.615 174.346 174.900 0.102 0.000 1.334 228 G CA -0.705 44.455 45.100 0.100 0.000 0.961 228 G HN 0.320 nan 8.290 nan 0.000 0.616 229 F N -0.353 119.645 119.950 0.080 0.000 2.380 229 F HA 0.789 5.316 4.527 0.000 0.000 0.325 229 F C 0.306 176.139 175.800 0.057 0.000 1.136 229 F CA -1.392 56.637 58.000 0.048 0.000 1.171 229 F CB 1.205 40.241 39.000 0.060 0.000 1.230 229 F HN 0.393 nan 8.300 nan 0.000 0.554 230 V N 4.763 124.840 119.914 0.271 0.000 2.370 230 V HA 0.251 4.372 4.120 0.001 0.000 0.279 230 V C 0.251 176.550 176.094 0.342 0.000 1.029 230 V CA -0.839 61.571 62.300 0.183 0.000 0.870 230 V CB 1.149 33.059 31.823 0.146 0.000 0.984 230 V HN 0.859 nan 8.190 nan 0.000 0.451 231 I N 4.678 125.395 120.570 0.245 0.000 2.575 231 I HA 0.578 4.749 4.170 0.001 0.000 0.285 231 I C 0.470 176.704 176.117 0.195 0.000 1.085 231 I CA 0.350 61.815 61.300 0.275 0.000 1.403 231 I CB 0.938 39.042 38.000 0.174 0.000 1.409 231 I HN 0.789 nan 8.210 nan 0.000 0.557 232 A N 4.948 127.825 122.820 0.095 0.000 2.486 232 A HA 0.927 5.247 4.320 0.001 0.000 0.289 232 A C -0.531 177.027 177.584 -0.044 0.000 1.176 232 A CA -0.238 51.807 52.037 0.013 0.000 0.757 232 A CB 1.439 20.451 19.000 0.020 0.000 1.337 232 A HN 0.813 nan 8.150 nan 0.000 0.423 233 G N -2.011 106.725 108.800 -0.106 0.000 2.680 233 G HA2 0.875 4.835 3.960 0.001 0.000 0.290 233 G HA3 0.875 4.835 3.960 0.001 0.000 0.290 233 G C -0.135 174.655 174.900 -0.184 0.000 1.355 233 G CA -0.176 44.876 45.100 -0.080 0.000 0.903 233 G HN 2.235 nan 8.290 nan 0.000 0.474 234 G N -1.936 106.763 108.800 -0.168 0.000 2.340 234 G HA2 0.607 4.567 3.960 0.001 0.000 0.282 234 G HA3 0.607 4.567 3.960 0.001 0.000 0.282 234 G C -0.325 174.550 174.900 -0.041 0.000 1.312 234 G CA 0.196 45.064 45.100 -0.387 0.000 0.942 234 G HN 1.912 nan 8.290 nan 0.000 0.495 235 G N -1.821 106.945 108.800 -0.057 0.000 2.708 235 G HA2 1.034 4.994 3.960 0.001 0.000 0.289 235 G HA3 1.034 4.994 3.960 0.001 0.000 0.289 235 G C -0.335 174.544 174.900 -0.036 0.000 1.416 235 G CA 0.199 45.317 45.100 0.030 0.000 0.829 235 G HN 2.048 nan 8.290 nan 0.000 0.480 236 G N -1.308 107.469 108.800 -0.039 0.000 2.703 236 G HA2 0.655 4.615 3.960 0.001 0.000 0.294 236 G HA3 0.655 4.615 3.960 0.001 0.000 0.294 236 G C -1.740 173.116 174.900 -0.074 0.000 1.451 236 G CA -0.624 44.426 45.100 -0.082 0.000 0.869 236 G HN 0.859 nan 8.290 nan 0.000 0.516 237 M N 1.223 120.769 119.600 -0.091 0.000 2.322 237 M HA 0.590 5.070 4.480 0.001 0.000 0.285 237 M C -0.852 175.394 176.300 -0.090 0.000 1.119 237 M CA -0.679 54.571 55.300 -0.083 0.000 0.953 237 M CB 2.164 34.706 32.600 -0.098 0.000 1.701 237 M HN 1.097 nan 8.290 nan 0.000 0.479 238 V N 1.986 121.850 119.914 -0.082 0.000 2.815 238 V HA 0.915 5.036 4.120 0.001 0.000 0.314 238 V C -0.989 175.065 176.094 -0.066 0.000 1.064 238 V CA -0.903 61.340 62.300 -0.096 0.000 0.952 238 V CB 1.859 33.600 31.823 -0.137 0.000 1.020 238 V HN 0.586 nan 8.190 nan 0.000 0.439 239 V N 3.720 123.585 119.914 -0.082 0.000 2.334 239 V HA 0.351 4.471 4.120 0.001 0.000 0.267 239 V C 0.171 176.147 176.094 -0.198 0.000 1.040 239 V CA -0.360 61.827 62.300 -0.189 0.000 0.866 239 V CB 0.950 32.681 31.823 -0.154 0.000 1.019 239 V HN 0.735 nan 8.190 nan 0.000 0.468 240 V N 4.858 124.623 119.914 -0.247 0.000 2.465 240 V HA 0.493 4.614 4.120 0.001 0.000 0.279 240 V C 0.056 176.017 176.094 -0.221 0.000 1.045 240 V CA -0.294 61.890 62.300 -0.194 0.000 0.938 240 V CB 1.353 33.070 31.823 -0.176 0.000 0.986 240 V HN 0.983 nan 8.190 nan 0.000 0.467 241 E N 2.530 122.639 120.200 -0.152 0.000 2.331 241 E HA 0.311 4.662 4.350 0.001 0.000 0.275 241 E C -0.831 175.720 176.600 -0.082 0.000 0.895 241 E CA -0.705 55.612 56.400 -0.137 0.000 0.753 241 E CB 1.817 31.465 29.700 -0.088 0.000 1.216 241 E HN 0.720 nan 8.360 nan 0.000 0.434 242 E N 3.753 123.904 120.200 -0.082 0.000 2.384 242 E HA -0.030 4.320 4.350 0.001 0.000 0.266 242 E C 0.690 177.303 176.600 0.022 0.000 1.012 242 E CA -0.082 56.299 56.400 -0.031 0.000 0.901 242 E CB 1.112 30.792 29.700 -0.033 0.000 0.967 242 E HN 0.633 nan 8.360 nan 0.000 0.435 243 L N 5.496 126.726 121.223 0.011 0.000 1.989 243 L HA -0.194 4.146 4.340 0.001 0.000 0.211 243 L C 1.889 178.773 176.870 0.023 0.000 1.071 243 L CA 1.884 56.730 54.840 0.010 0.000 0.749 243 L CB -0.395 41.664 42.059 0.000 0.000 0.890 243 L HN 0.535 nan 8.230 nan 0.000 0.431 244 E N -0.932 119.287 120.200 0.031 0.000 2.110 244 E HA -0.260 4.090 4.350 0.001 0.000 0.193 244 E C 2.214 178.835 176.600 0.035 0.000 0.988 244 E CA 1.318 57.733 56.400 0.025 0.000 0.804 244 E CB -0.696 29.019 29.700 0.025 0.000 0.745 244 E HN 0.675 nan 8.360 nan 0.000 0.458 245 H N 0.597 119.653 119.070 -0.023 0.000 2.352 245 H HA -0.055 4.501 4.556 0.000 0.000 0.299 245 H C 1.827 177.140 175.328 -0.025 0.000 1.097 245 H CA 1.737 57.770 56.048 -0.024 0.000 1.311 245 H CB 0.219 29.962 29.762 -0.031 0.000 1.377 245 H HN 0.129 nan 8.280 nan 0.000 0.504 246 A N 1.087 123.958 122.820 0.085 0.000 1.873 246 A HA -0.091 4.229 4.320 0.001 0.000 0.215 246 A C 2.874 180.440 177.584 -0.030 0.000 1.186 246 A CA 1.238 53.292 52.037 0.028 0.000 0.616 246 A CB -0.830 18.184 19.000 0.023 0.000 0.823 246 A HN 0.403 nan 8.150 nan 0.000 0.442 247 L N -0.745 120.461 121.223 -0.029 0.000 2.056 247 L HA -0.162 4.178 4.340 0.001 0.000 0.207 247 L C 3.055 179.893 176.870 -0.053 0.000 1.078 247 L CA 1.016 55.834 54.840 -0.036 0.000 0.749 247 L CB -0.577 41.466 42.059 -0.026 0.000 0.901 247 L HN 0.418 nan 8.230 nan 0.000 0.433 248 A N 0.981 123.755 122.820 -0.076 0.000 2.024 248 A HA -0.203 4.118 4.320 0.001 0.000 0.220 248 A C 2.238 179.756 177.584 -0.109 0.000 1.164 248 A CA 1.754 53.735 52.037 -0.094 0.000 0.643 248 A CB -0.551 18.378 19.000 -0.119 0.000 0.806 248 A HN 0.589 nan 8.150 nan 0.000 0.451 249 R N -1.291 119.129 120.500 -0.133 0.000 2.359 249 R HA 0.353 4.693 4.340 0.001 0.000 0.231 249 R C 0.953 177.223 176.300 -0.052 0.000 0.913 249 R CA 0.621 56.659 56.100 -0.103 0.000 1.075 249 R CB -0.653 29.566 30.300 -0.136 0.000 1.087 249 R HN 0.680 nan 8.270 nan 0.000 0.515 250 G N 0.881 109.656 108.800 -0.043 0.000 2.249 250 G HA2 -0.348 3.612 3.960 0.001 0.000 0.273 250 G HA3 -0.348 3.612 3.960 0.001 0.000 0.273 250 G C 0.336 175.232 174.900 -0.007 0.000 1.036 250 G CA 0.230 45.316 45.100 -0.023 0.000 0.824 250 G HN 0.727 nan 8.290 nan 0.000 0.504 251 A N 0.050 122.865 122.820 -0.008 0.000 2.466 251 A HA 0.484 4.805 4.320 0.001 0.000 0.238 251 A C 0.707 178.303 177.584 0.020 0.000 1.074 251 A CA 0.228 52.274 52.037 0.015 0.000 0.774 251 A CB 0.180 19.187 19.000 0.012 0.000 1.015 251 A HN 0.938 nan 8.150 nan 0.000 0.498 252 H N 1.878 120.909 119.070 -0.066 0.000 2.690 252 H HA 0.382 4.939 4.556 0.000 0.000 0.314 252 H C -0.997 174.247 175.328 -0.140 0.000 1.069 252 H CA 0.004 55.973 56.048 -0.133 0.000 1.436 252 H CB 0.305 29.950 29.762 -0.195 0.000 1.462 252 H HN 0.482 nan 8.280 nan 0.000 0.511 253 I N 6.978 127.170 120.570 -0.630 0.000 2.354 253 I HA -0.013 4.157 4.170 0.001 0.000 0.286 253 I C 0.108 175.867 176.117 -0.597 0.000 1.007 253 I CA -0.578 60.457 61.300 -0.441 0.000 1.167 253 I CB 1.013 38.895 38.000 -0.196 0.000 1.320 253 I HN 0.681 nan 8.210 nan 0.000 0.458 254 Y N 5.089 125.135 120.300 -0.424 0.000 2.163 254 Y HA 0.132 4.682 4.550 0.000 0.000 0.288 254 Y C 1.318 177.135 175.900 -0.138 0.000 1.136 254 Y CA 1.087 59.042 58.100 -0.242 0.000 1.147 254 Y CB 0.097 38.494 38.460 -0.104 0.000 0.987 254 Y HN 0.664 nan 8.280 nan 0.000 0.509 255 A N -0.821 122.033 122.820 0.056 0.000 2.544 255 A HA 0.401 4.721 4.320 0.001 0.000 0.291 255 A C -1.488 176.096 177.584 0.000 0.000 1.055 255 A CA -0.848 51.201 52.037 0.020 0.000 0.651 255 A CB 0.723 19.746 19.000 0.038 0.000 1.296 255 A HN 0.083 nan 8.150 nan 0.000 0.431 256 E N 0.601 120.799 120.200 -0.003 0.000 2.231 256 E HA 0.578 4.929 4.350 0.001 0.000 0.277 256 E C -0.982 175.617 176.600 -0.001 0.000 0.999 256 E CA -0.608 55.789 56.400 -0.006 0.000 0.827 256 E CB 0.785 30.483 29.700 -0.004 0.000 1.101 256 E HN 0.491 nan 8.360 nan 0.000 0.393 257 I N 6.201 126.766 120.570 -0.008 0.000 2.294 257 I HA 0.028 4.198 4.170 0.001 0.000 0.295 257 I C 1.131 177.259 176.117 0.020 0.000 1.098 257 I CA -0.279 61.020 61.300 -0.002 0.000 1.277 257 I CB 0.568 38.552 38.000 -0.027 0.000 1.434 257 I HN 0.493 nan 8.210 nan 0.000 0.498 258 V N 2.527 122.461 119.914 0.032 0.000 3.590 258 V HA 0.437 4.558 4.120 0.001 0.000 0.265 258 V C 0.779 176.911 176.094 0.064 0.000 1.239 258 V CA 0.265 62.590 62.300 0.042 0.000 1.117 258 V CB 0.050 31.894 31.823 0.035 0.000 0.818 258 V HN 0.690 nan 8.190 nan 0.000 0.451 259 G N -0.403 108.444 108.800 0.079 0.000 2.740 259 G HA2 0.537 4.497 3.960 0.001 0.000 0.296 259 G HA3 0.537 4.497 3.960 0.001 0.000 0.296 259 G C -2.246 172.755 174.900 0.168 0.000 1.439 259 G CA -0.547 44.616 45.100 0.105 0.000 1.066 259 G HN 0.261 nan 8.290 nan 0.000 0.527 260 Y N 1.733 122.042 120.300 0.016 0.000 2.346 260 Y HA 0.700 5.250 4.550 0.001 0.000 0.332 260 Y C -0.020 175.892 175.900 0.021 0.000 0.985 260 Y CA -1.473 56.633 58.100 0.010 0.000 1.112 260 Y CB 1.889 40.355 38.460 0.011 0.000 1.170 260 Y HN 0.756 nan 8.280 nan 0.000 0.447 261 G N 3.311 112.007 108.800 -0.175 0.000 2.379 261 G HA2 0.712 4.672 3.960 0.001 0.000 0.327 261 G HA3 0.712 4.672 3.960 0.001 0.000 0.327 261 G C -1.621 173.038 174.900 -0.403 0.000 1.145 261 G CA -0.575 44.359 45.100 -0.276 0.000 0.905 261 G HN 1.097 nan 8.290 nan 0.000 0.466 262 A N 1.786 124.386 122.820 -0.367 0.000 2.476 262 A HA 0.844 5.164 4.320 0.001 0.000 0.280 262 A C -0.032 177.528 177.584 -0.040 0.000 1.081 262 A CA -0.076 51.888 52.037 -0.120 0.000 0.753 262 A CB 1.233 20.148 19.000 -0.142 0.000 1.248 262 A HN 1.554 nan 8.150 nan 0.000 0.424 263 T N -1.474 113.107 114.554 0.045 0.000 2.778 263 T HA 0.860 5.210 4.350 0.001 0.000 0.293 263 T C -0.380 174.346 174.700 0.043 0.000 1.144 263 T CA -0.475 61.635 62.100 0.016 0.000 1.010 263 T CB 1.763 70.626 68.868 -0.009 0.000 1.325 263 T HN 1.346 nan 8.240 nan 0.000 0.515 264 S N -0.889 114.818 115.700 0.012 0.000 2.547 264 S HA 0.463 4.933 4.470 0.001 0.000 0.281 264 S C -0.164 174.432 174.600 -0.006 0.000 1.118 264 S CA -0.607 57.601 58.200 0.014 0.000 0.947 264 S CB 1.580 64.783 63.200 0.006 0.000 1.053 264 S HN 0.705 nan 8.310 nan 0.000 0.482 265 D N 2.849 123.246 120.400 -0.006 0.000 2.103 265 D HA 0.136 4.776 4.640 0.001 0.000 0.199 265 D C 1.429 177.721 176.300 -0.013 0.000 0.978 265 D CA 1.567 55.554 54.000 -0.021 0.000 0.829 265 D CB -0.556 40.231 40.800 -0.020 0.000 0.981 265 D HN 1.058 nan 8.370 nan 0.000 0.464 266 G N 0.089 108.887 108.800 -0.003 0.000 2.314 266 G HA2 -0.082 3.878 3.960 0.001 0.000 0.292 266 G HA3 -0.082 3.878 3.960 0.001 0.000 0.292 266 G C 0.600 175.497 174.900 -0.005 0.000 1.059 266 G CA 0.840 45.938 45.100 -0.004 0.000 0.982 266 G HN 0.617 nan 8.290 nan 0.000 0.505 267 A N -0.996 121.823 122.820 -0.002 0.000 1.845 267 A HA 0.681 5.001 4.320 0.001 0.000 0.188 267 A C 0.485 178.068 177.584 -0.001 0.000 2.173 267 A CA 0.835 52.869 52.037 -0.004 0.000 1.255 267 A CB 0.695 19.691 19.000 -0.006 0.000 0.999 267 A HN 0.332 nan 8.150 nan 0.000 0.634 268 D N -0.992 119.409 120.400 0.002 0.000 2.433 268 D HA 0.440 5.080 4.640 0.001 0.000 0.236 268 D C 0.525 176.827 176.300 0.004 0.000 1.026 268 D CA -0.556 53.444 54.000 -0.000 0.000 0.884 268 D CB 1.779 42.580 40.800 0.002 0.000 1.384 268 D HN 0.053 nan 8.370 nan 0.000 0.477 269 M N 0.718 120.307 119.600 -0.018 0.000 2.193 269 M HA -0.042 4.438 4.480 0.001 0.000 0.265 269 M C 1.560 177.816 176.300 -0.074 0.000 1.071 269 M CA 1.401 56.681 55.300 -0.033 0.000 1.140 269 M CB -0.091 32.469 32.600 -0.065 0.000 1.369 269 M HN 0.379 nan 8.290 nan 0.000 0.423 270 V N -3.429 116.411 119.914 -0.123 0.000 3.252 270 V HA 0.667 4.788 4.120 0.001 0.000 0.320 270 V C 0.135 176.220 176.094 -0.015 0.000 1.459 270 V CA -0.276 61.877 62.300 -0.245 0.000 1.095 270 V CB -0.425 31.136 31.823 -0.437 0.000 0.997 270 V HN 0.142 nan 8.190 nan 0.000 0.469 271 A N 1.787 124.629 122.820 0.038 0.000 2.374 271 A HA 0.928 5.248 4.320 0.001 0.000 0.305 271 A C -2.989 174.637 177.584 0.070 0.000 1.053 271 A CA -1.594 50.488 52.037 0.075 0.000 0.726 271 A CB 1.383 20.409 19.000 0.043 0.000 1.229 271 A HN 0.236 nan 8.150 nan 0.000 0.431 272 P HA 0.175 nan 4.420 nan 0.000 0.275 272 P C 0.744 178.035 177.300 -0.015 0.000 1.228 272 P CA -0.028 63.082 63.100 0.017 0.000 0.786 272 P CB 1.483 33.184 31.700 0.002 0.000 0.927 273 S N 0.947 116.618 115.700 -0.049 0.000 2.470 273 S HA 0.209 4.679 4.470 0.001 0.000 0.222 273 S C 1.554 176.118 174.600 -0.060 0.000 1.024 273 S CA 0.928 59.102 58.200 -0.043 0.000 0.931 273 S CB -0.831 62.344 63.200 -0.042 0.000 0.791 273 S HN 0.730 nan 8.310 nan 0.000 0.513 274 G N 2.338 111.075 108.800 -0.106 0.000 2.729 274 G HA2 -0.417 3.543 3.960 0.001 0.000 0.216 274 G HA3 -0.417 3.543 3.960 0.001 0.000 0.216 274 G C 0.933 175.767 174.900 -0.110 0.000 1.252 274 G CA 0.886 45.922 45.100 -0.107 0.000 0.751 274 G HN 0.766 nan 8.290 nan 0.000 0.527 275 E N 1.908 122.061 120.200 -0.080 0.000 2.274 275 E HA 0.306 4.656 4.350 0.001 0.000 0.194 275 E C 2.337 178.888 176.600 -0.080 0.000 0.996 275 E CA 1.987 58.347 56.400 -0.067 0.000 0.840 275 E CB -1.004 28.669 29.700 -0.046 0.000 0.772 275 E HN 0.933 nan 8.360 nan 0.000 0.491 276 G N 0.920 109.659 108.800 -0.102 0.000 2.421 276 G HA2 -0.213 3.747 3.960 0.001 0.000 0.216 276 G HA3 -0.213 3.747 3.960 0.001 0.000 0.216 276 G C 1.775 176.595 174.900 -0.134 0.000 1.171 276 G CA 1.062 46.100 45.100 -0.104 0.000 0.775 276 G HN 0.484 nan 8.290 nan 0.000 0.543 277 A N 0.126 122.792 122.820 -0.257 0.000 1.902 277 A HA 0.089 4.409 4.320 0.001 0.000 0.217 277 A C 2.606 180.143 177.584 -0.078 0.000 1.181 277 A CA 1.756 53.613 52.037 -0.301 0.000 0.623 277 A CB -0.696 17.892 19.000 -0.686 0.000 0.818 277 A HN 0.249 nan 8.150 nan 0.000 0.443 278 V N 0.015 119.878 119.914 -0.085 0.000 2.282 278 V HA -0.333 3.787 4.120 0.001 0.000 0.249 278 V C 2.692 178.755 176.094 -0.052 0.000 1.057 278 V CA 2.521 64.787 62.300 -0.057 0.000 1.032 278 V CB -0.789 30.998 31.823 -0.059 0.000 0.645 278 V HN 0.553 nan 8.190 nan 0.000 0.447 279 R N -1.311 119.159 120.500 -0.050 0.000 2.092 279 R HA -0.161 4.180 4.340 0.001 0.000 0.231 279 R C 2.397 178.678 176.300 -0.031 0.000 1.119 279 R CA 1.623 57.698 56.100 -0.042 0.000 0.970 279 R CB -0.832 29.442 30.300 -0.044 0.000 0.864 279 R HN 0.581 nan 8.270 nan 0.000 0.440 280 C N 0.668 119.961 119.300 -0.011 0.000 2.432 280 C HA -0.081 4.379 4.460 0.001 0.000 0.277 280 C C 2.564 177.569 174.990 0.024 0.000 1.249 280 C CA 0.919 59.947 59.018 0.017 0.000 1.725 280 C CB -0.672 27.129 27.740 0.101 0.000 2.028 280 C HN 0.476 nan 8.230 nan 0.000 0.477 281 M N 0.073 119.698 119.600 0.041 0.000 2.117 281 M HA -0.161 4.319 4.480 0.001 0.000 0.262 281 M C 2.306 178.583 176.300 -0.038 0.000 1.065 281 M CA 1.843 57.154 55.300 0.019 0.000 1.114 281 M CB -0.492 32.116 32.600 0.014 0.000 1.361 281 M HN 0.376 nan 8.290 nan 0.000 0.408 282 K N -0.069 120.295 120.400 -0.059 0.000 2.097 282 K HA -0.158 4.162 4.320 0.001 0.000 0.206 282 K C 1.984 178.592 176.600 0.013 0.000 1.049 282 K CA 1.371 57.627 56.287 -0.052 0.000 0.933 282 K CB -0.194 32.277 32.500 -0.049 0.000 0.717 282 K HN 0.360 nan 8.250 nan 0.000 0.442 283 M N 0.278 119.878 119.600 -0.002 0.000 2.132 283 M HA -0.136 4.345 4.480 0.001 0.000 0.263 283 M C 2.079 178.393 176.300 0.025 0.000 1.065 283 M CA 1.561 56.857 55.300 -0.007 0.000 1.122 283 M CB -0.040 32.519 32.600 -0.068 0.000 1.365 283 M HN 0.159 nan 8.290 nan 0.000 0.411 284 A N 0.107 122.937 122.820 0.017 0.000 1.969 284 A HA -0.115 4.205 4.320 0.001 0.000 0.218 284 A C 1.880 179.500 177.584 0.062 0.000 1.169 284 A CA 1.384 53.447 52.037 0.044 0.000 0.635 284 A CB -0.585 18.445 19.000 0.050 0.000 0.810 284 A HN 0.623 nan 8.150 nan 0.000 0.445 285 M N -0.694 118.933 119.600 0.045 0.000 2.561 285 M HA 0.049 4.530 4.480 0.001 0.000 0.238 285 M C 0.536 176.856 176.300 0.034 0.000 1.131 285 M CA 0.137 55.456 55.300 0.032 0.000 1.046 285 M CB 0.010 32.597 32.600 -0.021 0.000 1.532 285 M HN 0.355 nan 8.290 nan 0.000 0.497 286 H N 0.608 119.669 119.070 -0.015 0.000 2.975 286 H HA 0.114 4.671 4.556 0.000 0.000 0.303 286 H C 1.041 176.368 175.328 -0.002 0.000 1.023 286 H CA 1.676 57.715 56.048 -0.014 0.000 1.473 286 H CB 0.534 30.284 29.762 -0.020 0.000 1.498 286 H HN 0.565 nan 8.280 nan 0.000 0.549 287 G N 4.067 112.746 108.800 -0.200 0.000 2.179 287 G HA2 -0.273 3.687 3.960 0.001 0.000 0.260 287 G HA3 -0.273 3.687 3.960 0.001 0.000 0.260 287 G C 0.215 175.099 174.900 -0.027 0.000 0.977 287 G CA 0.274 45.330 45.100 -0.074 0.000 0.641 287 G HN 0.581 nan 8.290 nan 0.000 0.533 288 V N 2.754 122.657 119.914 -0.019 0.000 2.387 288 V HA 0.305 4.425 4.120 0.001 0.000 0.260 288 V C 1.329 177.420 176.094 -0.005 0.000 1.054 288 V CA 0.454 62.757 62.300 0.005 0.000 0.967 288 V CB 1.160 32.998 31.823 0.026 0.000 1.036 288 V HN 0.507 nan 8.190 nan 0.000 0.481 289 D N 2.726 123.124 120.400 -0.003 0.000 2.363 289 D HA -0.042 4.598 4.640 0.001 0.000 0.226 289 D C 0.811 177.115 176.300 0.006 0.000 1.020 289 D CA 0.285 54.282 54.000 -0.005 0.000 0.892 289 D CB -0.049 40.747 40.800 -0.006 0.000 0.900 289 D HN 0.581 nan 8.370 nan 0.000 0.531 290 T N -2.713 111.851 114.554 0.016 0.000 2.932 290 T HA 0.609 4.959 4.350 0.001 0.000 0.289 290 T C -2.641 172.083 174.700 0.041 0.000 1.039 290 T CA -1.783 60.331 62.100 0.025 0.000 1.024 290 T CB 2.172 71.054 68.868 0.024 0.000 1.090 290 T HN -0.166 nan 8.240 nan 0.000 0.496 291 P HA 0.435 nan 4.420 nan 0.000 0.276 291 P C -0.844 176.498 177.300 0.069 0.000 1.252 291 P CA -0.693 62.448 63.100 0.068 0.000 0.802 291 P CB 0.439 32.169 31.700 0.050 0.000 1.035 292 I N 2.060 122.686 120.570 0.094 0.000 2.337 292 I HA 0.066 4.236 4.170 0.001 0.000 0.291 292 I C 1.383 177.486 176.117 -0.022 0.000 1.046 292 I CA 0.517 61.851 61.300 0.055 0.000 1.324 292 I CB -0.018 38.045 38.000 0.105 0.000 1.409 292 I HN 0.205 nan 8.210 nan 0.000 0.494 293 D N 4.579 124.987 120.400 0.013 0.000 2.183 293 D HA -0.087 4.554 4.640 0.001 0.000 0.205 293 D C -0.078 176.259 176.300 0.061 0.000 0.962 293 D CA 1.333 55.347 54.000 0.022 0.000 0.849 293 D CB 0.255 41.080 40.800 0.042 0.000 0.978 293 D HN 0.445 nan 8.370 nan 0.000 0.488 294 Y N 0.109 120.363 120.300 -0.076 0.000 2.504 294 Y HA 0.488 5.038 4.550 0.000 0.000 0.344 294 Y C -1.925 173.933 175.900 -0.069 0.000 1.023 294 Y CA -1.178 56.871 58.100 -0.084 0.000 1.020 294 Y CB 1.543 39.954 38.460 -0.082 0.000 1.282 294 Y HN -0.235 nan 8.280 nan 0.000 0.454 295 L N 6.668 127.296 121.223 -0.991 0.000 2.343 295 L HA 0.471 4.811 4.340 0.001 0.000 0.278 295 L C -1.051 175.166 176.870 -1.089 0.000 0.996 295 L CA -0.498 53.875 54.840 -0.778 0.000 0.831 295 L CB 0.885 42.718 42.059 -0.377 0.000 1.232 295 L HN 0.779 nan 8.230 nan 0.000 0.413 296 N N 3.475 121.742 118.700 -0.722 0.000 2.439 296 N HA 0.102 4.842 4.740 0.001 0.000 0.243 296 N C -0.405 175.022 175.510 -0.138 0.000 1.088 296 N CA -0.133 52.759 53.050 -0.264 0.000 0.940 296 N CB 0.933 39.452 38.487 0.054 0.000 1.180 296 N HN 0.710 nan 8.380 nan 0.000 0.505 297 S N 2.766 118.421 115.700 -0.074 0.000 2.603 297 S HA 0.027 4.497 4.470 0.001 0.000 0.268 297 S C 1.317 175.894 174.600 -0.039 0.000 1.317 297 S CA -0.282 57.915 58.200 -0.006 0.000 1.012 297 S CB 1.331 64.612 63.200 0.134 0.000 0.926 297 S HN 0.717 nan 8.310 nan 0.000 0.539 298 H N 2.535 121.499 119.070 -0.175 0.000 2.321 298 H HA 0.119 4.675 4.556 0.000 0.000 0.300 298 H C 1.590 176.799 175.328 -0.199 0.000 1.087 298 H CA 1.552 57.450 56.048 -0.250 0.000 1.319 298 H CB -1.078 28.495 29.762 -0.315 0.000 1.379 298 H HN 1.123 nan 8.280 nan 0.000 0.501 299 G N 0.679 109.381 108.800 -0.163 0.000 2.072 299 G HA2 -0.297 3.663 3.960 0.001 0.000 0.242 299 G HA3 -0.297 3.663 3.960 0.001 0.000 0.242 299 G C 0.966 175.606 174.900 -0.434 0.000 0.694 299 G CA 0.975 45.892 45.100 -0.306 0.000 1.084 299 G HN 0.785 nan 8.290 nan 0.000 0.350 300 T N -1.574 112.718 114.554 -0.435 0.000 3.100 300 T HA 0.402 4.752 4.350 0.001 0.000 0.253 300 T C 1.319 175.939 174.700 -0.133 0.000 1.118 300 T CA 1.045 62.900 62.100 -0.409 0.000 1.058 300 T CB 0.320 68.907 68.868 -0.469 0.000 0.953 300 T HN 1.982 nan 8.240 nan 0.000 0.515 301 S N 0.879 116.490 115.700 -0.147 0.000 3.931 301 S HA -0.132 4.338 4.470 0.001 0.000 0.318 301 S C 0.143 174.767 174.600 0.041 0.000 1.098 301 S CA 0.569 58.727 58.200 -0.071 0.000 0.900 301 S CB -2.163 61.007 63.200 -0.049 0.000 0.886 301 S HN 1.304 nan 8.310 nan 0.000 0.513 302 T N -0.878 113.712 114.554 0.060 0.000 2.823 302 T HA 0.714 5.064 4.350 0.001 0.000 0.279 302 T C -1.414 173.344 174.700 0.097 0.000 0.998 302 T CA -1.622 60.551 62.100 0.123 0.000 0.994 302 T CB 1.812 70.799 68.868 0.197 0.000 0.960 302 T HN -0.038 nan 8.240 nan 0.000 0.448 303 P HA -0.159 nan 4.420 nan 0.000 0.213 303 P C 1.711 179.064 177.300 0.088 0.000 1.176 303 P CA 0.834 63.984 63.100 0.083 0.000 0.919 303 P CB -0.068 31.677 31.700 0.077 0.000 0.791 304 V N -0.555 119.417 119.914 0.096 0.000 2.379 304 V HA -0.099 4.022 4.120 0.001 0.000 0.245 304 V C 2.592 178.752 176.094 0.110 0.000 1.044 304 V CA 2.362 64.718 62.300 0.093 0.000 1.036 304 V CB -1.925 29.950 31.823 0.086 0.000 0.664 304 V HN 0.202 nan 8.190 nan 0.000 0.453 305 G N -0.080 108.801 108.800 0.135 0.000 2.421 305 G HA2 -0.253 3.708 3.960 0.001 0.000 0.216 305 G HA3 -0.253 3.708 3.960 0.001 0.000 0.216 305 G C 1.200 176.195 174.900 0.159 0.000 1.171 305 G CA 1.102 46.299 45.100 0.162 0.000 0.775 305 G HN 0.487 nan 8.290 nan 0.000 0.543 306 D N 0.301 120.776 120.400 0.124 0.000 2.092 306 D HA -0.142 4.499 4.640 0.001 0.000 0.193 306 D C 2.936 179.382 176.300 0.243 0.000 0.994 306 D CA 1.918 56.004 54.000 0.143 0.000 0.828 306 D CB -0.715 40.122 40.800 0.062 0.000 0.963 306 D HN 0.340 nan 8.370 nan 0.000 0.450 307 V N -1.077 118.947 119.914 0.183 0.000 2.667 307 V HA -0.074 4.046 4.120 0.001 0.000 0.252 307 V C 2.142 178.305 176.094 0.114 0.000 1.065 307 V CA 1.176 63.565 62.300 0.149 0.000 1.083 307 V CB -0.483 31.403 31.823 0.104 0.000 0.692 307 V HN -0.095 nan 8.190 nan 0.000 0.468 308 K N 1.236 121.700 120.400 0.107 0.000 2.057 308 K HA -0.157 4.163 4.320 0.001 0.000 0.207 308 K C 2.258 178.904 176.600 0.077 0.000 1.049 308 K CA 2.051 58.382 56.287 0.072 0.000 0.931 308 K CB -0.474 32.060 32.500 0.057 0.000 0.714 308 K HN 0.741 nan 8.250 nan 0.000 0.440 309 E N -0.377 119.907 120.200 0.141 0.000 2.077 309 E HA -0.184 4.166 4.350 0.001 0.000 0.193 309 E C 1.696 178.398 176.600 0.170 0.000 0.989 309 E CA 0.937 57.452 56.400 0.193 0.000 0.800 309 E CB -0.031 29.881 29.700 0.352 0.000 0.746 309 E HN 0.067 nan 8.360 nan 0.000 0.452 310 L N 1.086 122.407 121.223 0.163 0.000 2.043 310 L HA -0.193 4.147 4.340 0.001 0.000 0.212 310 L C 2.487 179.400 176.870 0.071 0.000 1.075 310 L CA 2.126 57.022 54.840 0.093 0.000 0.752 310 L CB -1.331 40.758 42.059 0.050 0.000 0.891 310 L HN 0.253 nan 8.230 nan 0.000 0.432 311 A N -1.147 121.711 122.820 0.063 0.000 1.969 311 A HA -0.070 4.250 4.320 0.001 0.000 0.218 311 A C 2.472 180.079 177.584 0.039 0.000 1.169 311 A CA 1.587 53.650 52.037 0.043 0.000 0.635 311 A CB -0.698 18.322 19.000 0.032 0.000 0.810 311 A HN 0.400 nan 8.150 nan 0.000 0.445 312 A N -0.023 122.822 122.820 0.042 0.000 1.898 312 A HA -0.029 4.291 4.320 0.001 0.000 0.216 312 A C 2.091 179.716 177.584 0.068 0.000 1.181 312 A CA 1.403 53.458 52.037 0.029 0.000 0.620 312 A CB -0.551 18.451 19.000 0.002 0.000 0.819 312 A HN 0.473 nan 8.150 nan 0.000 0.442 313 I N -1.058 119.591 120.570 0.131 0.000 2.179 313 I HA -0.261 3.909 4.170 0.001 0.000 0.242 313 I C 2.683 178.947 176.117 0.246 0.000 1.088 313 I CA 1.749 63.193 61.300 0.240 0.000 1.357 313 I CB -0.262 37.871 38.000 0.222 0.000 1.051 313 I HN 0.323 nan 8.210 nan 0.000 0.409 314 R N 0.849 121.431 120.500 0.137 0.000 2.091 314 R HA -0.260 4.080 4.340 0.001 0.000 0.238 314 R C 2.219 178.564 176.300 0.074 0.000 1.136 314 R CA 1.844 58.005 56.100 0.103 0.000 0.959 314 R CB -0.144 30.189 30.300 0.055 0.000 0.856 314 R HN 0.207 nan 8.270 nan 0.000 0.437 315 E N -0.475 119.748 120.200 0.039 0.000 2.106 315 E HA -0.107 4.243 4.350 0.001 0.000 0.192 315 E C 1.731 178.307 176.600 -0.040 0.000 0.984 315 E CA 1.385 57.785 56.400 0.001 0.000 0.806 315 E CB -0.023 29.670 29.700 -0.012 0.000 0.750 315 E HN 0.199 nan 8.360 nan 0.000 0.458 316 V N -0.307 119.556 119.914 -0.084 0.000 2.323 316 V HA -0.160 3.960 4.120 0.001 0.000 0.244 316 V C 1.876 177.762 176.094 -0.346 0.000 1.041 316 V CA 1.871 64.002 62.300 -0.281 0.000 1.025 316 V CB -0.471 31.067 31.823 -0.474 0.000 0.656 316 V HN 0.255 nan 8.190 nan 0.000 0.451 317 F N -0.482 119.467 119.950 -0.001 0.000 2.505 317 F HA 0.463 4.990 4.527 0.000 0.000 0.289 317 F C 1.808 177.604 175.800 -0.006 0.000 1.101 317 F CA 0.868 58.865 58.000 -0.005 0.000 1.446 317 F CB -0.265 38.730 39.000 -0.008 0.000 1.123 317 F HN 0.314 nan 8.300 nan 0.000 0.564 318 G N 0.779 109.674 108.800 0.158 0.000 2.531 318 G HA2 -0.405 3.556 3.960 0.001 0.000 0.274 318 G HA3 -0.405 3.556 3.960 0.001 0.000 0.274 318 G C 0.652 175.604 174.900 0.086 0.000 1.159 318 G CA 0.495 45.649 45.100 0.089 0.000 0.969 318 G HN 0.227 nan 8.290 nan 0.000 0.554 319 D N 1.331 121.766 120.400 0.059 0.000 2.117 319 D HA -0.036 4.605 4.640 0.001 0.000 0.198 319 D C 1.871 178.193 176.300 0.036 0.000 0.982 319 D CA 1.677 55.699 54.000 0.038 0.000 0.828 319 D CB -0.141 40.674 40.800 0.026 0.000 0.967 319 D HN 0.657 nan 8.370 nan 0.000 0.464 320 K N 1.099 121.533 120.400 0.056 0.000 2.502 320 K HA 0.201 4.522 4.320 0.001 0.000 0.244 320 K C -0.084 176.535 176.600 0.032 0.000 1.249 320 K CA -0.351 55.960 56.287 0.041 0.000 1.193 320 K CB 0.146 32.676 32.500 0.050 0.000 1.674 320 K HN -0.055 nan 8.250 nan 0.000 0.302 321 S N 1.522 117.194 115.700 -0.047 0.000 2.652 321 S HA 0.508 4.979 4.470 0.001 0.000 0.270 321 S C -1.905 172.478 174.600 -0.363 0.000 1.243 321 S CA -1.135 56.912 58.200 -0.255 0.000 0.999 321 S CB 0.850 63.956 63.200 -0.156 0.000 0.973 321 S HN 0.421 nan 8.310 nan 0.000 0.544 322 P HA 0.417 nan 4.420 nan 0.000 0.279 322 P C -0.798 176.355 177.300 -0.246 0.000 1.276 322 P CA -0.663 62.197 63.100 -0.399 0.000 0.801 322 P CB 0.493 31.877 31.700 -0.527 0.000 1.127 323 A N 0.902 123.650 122.820 -0.119 0.000 2.440 323 A HA 0.435 4.755 4.320 0.001 0.000 0.251 323 A C 0.240 177.787 177.584 -0.062 0.000 1.089 323 A CA -0.122 51.900 52.037 -0.026 0.000 0.779 323 A CB -0.807 18.247 19.000 0.091 0.000 1.022 323 A HN 0.442 nan 8.150 nan 0.000 0.492 324 I N 2.002 122.542 120.570 -0.050 0.000 2.509 324 I HA 0.496 4.667 4.170 0.001 0.000 0.293 324 I C 0.181 176.347 176.117 0.081 0.000 1.020 324 I CA -0.216 61.028 61.300 -0.094 0.000 1.088 324 I CB 2.378 40.305 38.000 -0.122 0.000 1.267 324 I HN 0.740 nan 8.210 nan 0.000 0.430 325 S N 4.043 119.836 115.700 0.154 0.000 2.546 325 S HA 0.845 5.315 4.470 0.001 0.000 0.274 325 S C -0.876 173.841 174.600 0.194 0.000 1.121 325 S CA -0.805 57.536 58.200 0.235 0.000 0.887 325 S CB 2.086 65.452 63.200 0.277 0.000 1.094 325 S HN 0.742 nan 8.310 nan 0.000 0.474 326 A N 2.197 125.120 122.820 0.172 0.000 2.412 326 A HA 0.562 4.882 4.320 0.001 0.000 0.334 326 A C 1.171 178.755 177.584 0.000 0.000 1.419 326 A CA -0.214 51.846 52.037 0.039 0.000 0.930 326 A CB -0.409 18.516 19.000 -0.124 0.000 1.149 326 A HN 1.295 nan 8.150 nan 0.000 0.515 327 T N -0.264 114.302 114.554 0.020 0.000 3.051 327 T HA -0.098 4.253 4.350 0.001 0.000 0.269 327 T C 1.361 176.028 174.700 -0.055 0.000 1.127 327 T CA 1.243 63.328 62.100 -0.024 0.000 1.107 327 T CB -0.312 68.541 68.868 -0.024 0.000 0.898 327 T HN 0.615 nan 8.240 nan 0.000 0.517 328 K N 1.125 121.485 120.400 -0.066 0.000 2.280 328 K HA 0.135 4.456 4.320 0.001 0.000 0.202 328 K C 2.657 179.217 176.600 -0.068 0.000 1.047 328 K CA 0.929 57.166 56.287 -0.082 0.000 0.942 328 K CB -0.378 32.012 32.500 -0.183 0.000 0.739 328 K HN 0.496 nan 8.250 nan 0.000 0.457 329 A N 1.107 123.879 122.820 -0.080 0.000 1.972 329 A HA -0.164 4.156 4.320 0.001 0.000 0.219 329 A C 2.048 179.604 177.584 -0.046 0.000 1.169 329 A CA 1.433 53.431 52.037 -0.065 0.000 0.635 329 A CB -0.298 18.664 19.000 -0.062 0.000 0.810 329 A HN 0.195 nan 8.150 nan 0.000 0.446 330 M N -0.982 118.585 119.600 -0.054 0.000 2.216 330 M HA -0.068 4.412 4.480 0.001 0.000 0.264 330 M C 2.388 178.660 176.300 -0.046 0.000 1.080 330 M CA 1.829 57.094 55.300 -0.058 0.000 1.153 330 M CB -0.203 32.338 32.600 -0.098 0.000 1.356 330 M HN 0.639 nan 8.290 nan 0.000 0.432 331 T N -2.568 111.956 114.554 -0.049 0.000 3.044 331 T HA 0.416 4.767 4.350 0.001 0.000 0.255 331 T C 1.068 175.785 174.700 0.028 0.000 1.073 331 T CA 0.430 62.520 62.100 -0.017 0.000 1.125 331 T CB -0.124 68.752 68.868 0.013 0.000 0.908 331 T HN 0.556 nan 8.240 nan 0.000 0.480 332 G N 1.083 109.905 108.800 0.037 0.000 2.757 332 G HA2 -0.102 3.858 3.960 0.001 0.000 0.638 332 G HA3 -0.102 3.858 3.960 0.001 0.000 0.638 332 G C -0.908 174.052 174.900 0.100 0.000 1.344 332 G CA -0.370 44.784 45.100 0.090 0.000 0.855 332 G HN 0.814 nan 8.290 nan 0.000 0.537 333 H N 0.726 119.793 119.070 -0.004 0.000 2.685 333 H HA 0.592 5.148 4.556 0.001 0.000 0.286 333 H C 1.632 176.875 175.328 -0.141 0.000 1.102 333 H CA -0.052 55.896 56.048 -0.166 0.000 1.254 333 H CB 0.575 30.057 29.762 -0.466 0.000 1.397 333 H HN 0.855 nan 8.280 nan 0.000 0.473 334 S N 4.588 120.338 115.700 0.082 0.000 2.710 334 S HA 0.115 4.586 4.470 0.001 0.000 0.224 334 S C 1.306 175.826 174.600 -0.133 0.000 0.948 334 S CA 0.122 58.298 58.200 -0.040 0.000 0.949 334 S CB -0.579 62.615 63.200 -0.011 0.000 0.778 334 S HN 0.738 nan 8.310 nan 0.000 0.498 335 L N -0.385 120.622 121.223 -0.359 0.000 4.565 335 L HA -0.344 3.997 4.340 0.001 0.000 0.053 335 L C 2.252 179.042 176.870 -0.134 0.000 3.654 335 L CA 1.521 56.074 54.840 -0.477 0.000 1.224 335 L CB -2.061 39.740 42.059 -0.430 0.000 3.186 335 L HN 0.436 nan 8.230 nan 0.000 0.916 336 G N -1.300 107.455 108.800 -0.075 0.000 2.421 336 G HA2 0.104 4.064 3.960 0.001 0.000 0.217 336 G HA3 0.104 4.064 3.960 0.001 0.000 0.217 336 G C 1.357 176.253 174.900 -0.007 0.000 1.143 336 G CA 1.242 46.335 45.100 -0.011 0.000 0.784 336 G HN 0.827 nan 8.290 nan 0.000 0.541 337 A N 0.770 123.581 122.820 -0.015 0.000 2.167 337 A HA 0.522 4.842 4.320 0.001 0.000 0.214 337 A C 2.635 180.190 177.584 -0.048 0.000 1.151 337 A CA 1.503 53.525 52.037 -0.025 0.000 0.735 337 A CB -0.361 18.629 19.000 -0.016 0.000 0.802 337 A HN 0.577 nan 8.150 nan 0.000 0.467 338 A N -0.020 122.789 122.820 -0.018 0.000 1.908 338 A HA 0.072 4.392 4.320 0.001 0.000 0.218 338 A C 2.355 179.898 177.584 -0.069 0.000 1.181 338 A CA 1.917 53.950 52.037 -0.007 0.000 0.627 338 A CB -1.290 17.772 19.000 0.102 0.000 0.818 338 A HN 0.663 nan 8.150 nan 0.000 0.445 339 G N -0.996 107.764 108.800 -0.066 0.000 2.421 339 G HA2 -0.130 3.830 3.960 0.001 0.000 0.216 339 G HA3 -0.130 3.830 3.960 0.001 0.000 0.216 339 G C 1.638 176.454 174.900 -0.140 0.000 1.171 339 G CA 1.256 46.293 45.100 -0.105 0.000 0.775 339 G HN 0.549 nan 8.290 nan 0.000 0.543 340 V N 0.046 119.877 119.914 -0.138 0.000 2.453 340 V HA -0.086 4.035 4.120 0.001 0.000 0.247 340 V C 2.713 178.652 176.094 -0.258 0.000 1.048 340 V CA 2.309 64.509 62.300 -0.167 0.000 1.049 340 V CB -0.186 31.561 31.823 -0.127 0.000 0.672 340 V HN 0.482 nan 8.190 nan 0.000 0.457 341 Q N -0.457 119.159 119.800 -0.306 0.000 2.124 341 Q HA -0.237 4.104 4.340 0.001 0.000 0.202 341 Q C 2.139 177.552 176.000 -0.980 0.000 0.977 341 Q CA 2.135 57.590 55.803 -0.581 0.000 0.850 341 Q CB -0.068 28.408 28.738 -0.435 0.000 0.901 341 Q HN 0.718 nan 8.270 nan 0.000 0.429 342 E N 0.128 120.014 120.200 -0.524 0.000 2.216 342 E HA -0.059 4.292 4.350 0.001 0.000 0.192 342 E C 1.882 178.374 176.600 -0.180 0.000 0.988 342 E CA 0.560 56.783 56.400 -0.294 0.000 0.834 342 E CB 0.022 29.681 29.700 -0.068 0.000 0.772 342 E HN 0.310 nan 8.360 nan 0.000 0.479 343 A N 1.171 123.875 122.820 -0.194 0.000 1.908 343 A HA -0.190 4.130 4.320 0.001 0.000 0.218 343 A C 2.134 179.626 177.584 -0.154 0.000 1.181 343 A CA 1.113 53.066 52.037 -0.140 0.000 0.627 343 A CB -0.510 18.403 19.000 -0.144 0.000 0.818 343 A HN 0.145 nan 8.150 nan 0.000 0.445 344 I N -1.648 118.772 120.570 -0.251 0.000 2.202 344 I HA -0.241 3.929 4.170 0.001 0.000 0.242 344 I C 2.346 178.414 176.117 -0.081 0.000 1.091 344 I CA 1.192 62.360 61.300 -0.221 0.000 1.368 344 I CB -0.474 37.361 38.000 -0.275 0.000 1.058 344 I HN 0.388 nan 8.210 nan 0.000 0.410 345 Y N 0.880 121.157 120.300 -0.038 0.000 2.151 345 Y HA -0.255 4.295 4.550 0.000 0.000 0.284 345 Y C 2.930 178.800 175.900 -0.051 0.000 1.166 345 Y CA 1.066 59.150 58.100 -0.028 0.000 1.163 345 Y CB -1.537 36.914 38.460 -0.015 0.000 0.974 345 Y HN 0.121 nan 8.280 nan 0.000 0.511 346 S N -0.306 115.466 115.700 0.120 0.000 2.368 346 S HA -0.116 4.355 4.470 0.001 0.000 0.224 346 S C 2.019 176.635 174.600 0.026 0.000 1.029 346 S CA 0.935 59.188 58.200 0.089 0.000 0.988 346 S CB -0.449 62.827 63.200 0.127 0.000 0.838 346 S HN 0.175 nan 8.310 nan 0.000 0.462 347 L N 1.549 122.780 121.223 0.013 0.000 2.083 347 L HA 0.057 4.397 4.340 0.001 0.000 0.209 347 L C 2.068 179.002 176.870 0.106 0.000 1.083 347 L CA 1.390 56.244 54.840 0.024 0.000 0.752 347 L CB -1.291 40.720 42.059 -0.080 0.000 0.899 347 L HN 0.316 nan 8.230 nan 0.000 0.433 348 L N -1.833 119.464 121.223 0.124 0.000 2.083 348 L HA -0.230 4.110 4.340 0.001 0.000 0.209 348 L C 2.506 179.526 176.870 0.251 0.000 1.083 348 L CA 1.105 56.116 54.840 0.286 0.000 0.752 348 L CB -0.333 41.874 42.059 0.247 0.000 0.899 348 L HN 0.268 nan 8.230 nan 0.000 0.433 349 M N -0.936 118.608 119.600 -0.093 0.000 2.175 349 M HA -0.222 4.259 4.480 0.001 0.000 0.264 349 M C 2.304 178.498 176.300 -0.178 0.000 1.063 349 M CA 1.559 56.567 55.300 -0.487 0.000 1.119 349 M CB -0.195 31.923 32.600 -0.804 0.000 1.377 349 M HN 0.257 nan 8.290 nan 0.000 0.415 350 L N -0.000 121.192 121.223 -0.050 0.000 2.017 350 L HA -0.235 4.105 4.340 0.001 0.000 0.208 350 L C 2.387 179.288 176.870 0.052 0.000 1.073 350 L CA 1.725 56.572 54.840 0.010 0.000 0.745 350 L CB -0.282 41.802 42.059 0.042 0.000 0.894 350 L HN 0.292 nan 8.230 nan 0.000 0.432 351 E N -0.852 119.413 120.200 0.109 0.000 2.107 351 E HA -0.195 4.156 4.350 0.001 0.000 0.191 351 E C 1.750 178.285 176.600 -0.109 0.000 0.982 351 E CA 1.250 57.668 56.400 0.029 0.000 0.809 351 E CB 0.074 29.850 29.700 0.127 0.000 0.756 351 E HN 0.510 nan 8.360 nan 0.000 0.459 352 H N -1.317 117.861 119.070 0.180 0.000 2.549 352 H HA 0.277 4.833 4.556 0.000 0.000 0.279 352 H C 0.468 175.944 175.328 0.246 0.000 1.018 352 H CA 0.391 56.567 56.048 0.214 0.000 1.175 352 H CB 0.712 30.641 29.762 0.278 0.000 1.485 352 H HN 0.279 nan 8.280 nan 0.000 0.543 353 G N 2.033 110.978 108.800 0.242 0.000 2.351 353 G HA2 -0.258 3.703 3.960 0.001 0.000 0.297 353 G HA3 -0.258 3.703 3.960 0.001 0.000 0.297 353 G C -0.199 174.852 174.900 0.251 0.000 1.054 353 G CA 0.782 45.981 45.100 0.165 0.000 1.123 353 G HN 0.544 nan 8.290 nan 0.000 0.512 354 F N -1.852 118.084 119.950 -0.022 0.000 2.779 354 F HA 0.815 5.342 4.527 0.000 0.000 0.316 354 F C -1.213 174.494 175.800 -0.155 0.000 1.164 354 F CA -2.251 55.711 58.000 -0.063 0.000 0.924 354 F CB 0.977 39.951 39.000 -0.044 0.000 1.348 354 F HN 0.032 nan 8.300 nan 0.000 0.467 355 I N 2.522 122.954 120.570 -0.231 0.000 2.418 355 I HA 0.660 4.830 4.170 0.001 0.000 0.287 355 I C 0.126 176.160 176.117 -0.138 0.000 1.008 355 I CA -0.768 60.252 61.300 -0.468 0.000 1.104 355 I CB 1.466 39.310 38.000 -0.259 0.000 1.264 355 I HN 0.945 nan 8.210 nan 0.000 0.438 356 A N 8.304 130.967 122.820 -0.263 0.000 2.386 356 A HA 0.663 4.983 4.320 0.001 0.000 0.248 356 A C -2.374 175.236 177.584 0.043 0.000 1.082 356 A CA -0.959 51.118 52.037 0.067 0.000 0.789 356 A CB -0.377 18.637 19.000 0.023 0.000 1.025 356 A HN 0.461 nan 8.150 nan 0.000 0.490 357 P HA 0.182 nan 4.420 nan 0.000 0.282 357 P C -0.443 176.891 177.300 0.057 0.000 1.249 357 P CA -0.323 62.811 63.100 0.057 0.000 0.806 357 P CB 1.307 33.032 31.700 0.042 0.000 0.984 358 S N 2.464 118.212 115.700 0.080 0.000 2.485 358 S HA 0.343 4.813 4.470 0.001 0.000 0.312 358 S C 0.592 175.230 174.600 0.064 0.000 1.102 358 S CA -0.619 57.636 58.200 0.093 0.000 1.066 358 S CB -1.591 61.711 63.200 0.170 0.000 1.102 358 S HN 0.291 nan 8.310 nan 0.000 0.519 359 I N 2.472 123.059 120.570 0.029 0.000 3.110 359 I HA 0.568 4.739 4.170 0.001 0.000 0.314 359 I C 0.726 176.845 176.117 0.003 0.000 1.020 359 I CA -0.332 60.976 61.300 0.013 0.000 1.169 359 I CB 0.091 38.088 38.000 -0.004 0.000 1.437 359 I HN 0.511 nan 8.210 nan 0.000 0.595 360 N N 0.422 119.119 118.700 -0.006 0.000 2.708 360 N HA -0.197 4.543 4.740 0.001 0.000 0.251 360 N C -0.556 174.953 175.510 -0.002 0.000 1.123 360 N CA 1.088 54.125 53.050 -0.022 0.000 0.739 360 N CB -1.561 36.886 38.487 -0.066 0.000 1.113 360 N HN 0.671 nan 8.380 nan 0.000 0.561 361 I N 1.052 121.640 120.570 0.030 0.000 2.241 361 I HA 0.038 4.208 4.170 0.001 0.000 0.294 361 I C 1.359 177.508 176.117 0.052 0.000 1.145 361 I CA -0.058 61.276 61.300 0.056 0.000 1.261 361 I CB 0.360 38.409 38.000 0.082 0.000 1.475 361 I HN 0.006 nan 8.210 nan 0.000 0.533 362 E N 3.357 123.592 120.200 0.058 0.000 2.285 362 E HA -0.035 4.315 4.350 0.001 0.000 0.194 362 E C 0.480 177.128 176.600 0.081 0.000 0.997 362 E CA 0.663 57.100 56.400 0.063 0.000 0.845 362 E CB 0.391 30.129 29.700 0.065 0.000 0.782 362 E HN 0.520 nan 8.360 nan 0.000 0.491 363 E N 0.703 120.963 120.200 0.100 0.000 2.466 363 E HA 0.104 4.454 4.350 0.001 0.000 0.308 363 E C -1.180 175.468 176.600 0.080 0.000 0.933 363 E CA -0.259 56.200 56.400 0.098 0.000 0.800 363 E CB 0.665 30.453 29.700 0.147 0.000 1.434 363 E HN 0.007 nan 8.360 nan 0.000 0.389 364 L N 3.476 124.735 121.223 0.061 0.000 2.525 364 L HA 0.061 4.401 4.340 0.001 0.000 0.278 364 L C 0.267 177.163 176.870 0.044 0.000 1.218 364 L CA 0.598 55.471 54.840 0.055 0.000 0.878 364 L CB 0.415 42.492 42.059 0.030 0.000 1.127 364 L HN 0.719 nan 8.230 nan 0.000 0.492 365 D N 2.297 122.730 120.400 0.056 0.000 2.455 365 D HA -0.089 4.551 4.640 0.001 0.000 0.241 365 D C 1.375 177.688 176.300 0.021 0.000 1.138 365 D CA 0.221 54.245 54.000 0.038 0.000 0.877 365 D CB 0.863 41.706 40.800 0.072 0.000 1.187 365 D HN 0.610 nan 8.370 nan 0.000 0.451 366 E N 2.318 122.525 120.200 0.012 0.000 2.160 366 E HA -0.305 4.046 4.350 0.001 0.000 0.195 366 E C 0.922 177.526 176.600 0.007 0.000 0.991 366 E CA 1.037 57.441 56.400 0.008 0.000 0.810 366 E CB -0.204 29.500 29.700 0.007 0.000 0.742 366 E HN 0.663 nan 8.360 nan 0.000 0.466 367 Q N 0.076 119.884 119.800 0.014 0.000 2.482 367 Q HA 0.130 4.470 4.340 0.001 0.000 0.209 367 Q C 1.732 177.731 176.000 -0.002 0.000 0.961 367 Q CA 0.634 56.445 55.803 0.014 0.000 0.945 367 Q CB 0.325 29.081 28.738 0.029 0.000 1.012 367 Q HN 0.420 nan 8.270 nan 0.000 0.515 368 A N 1.144 123.952 122.820 -0.020 0.000 2.178 368 A HA 0.320 4.640 4.320 0.001 0.000 0.211 368 A C 1.141 178.686 177.584 -0.065 0.000 1.157 368 A CA 0.226 52.216 52.037 -0.078 0.000 0.780 368 A CB -0.092 18.834 19.000 -0.125 0.000 0.828 368 A HN 0.302 nan 8.150 nan 0.000 0.476 369 A N -0.063 122.737 122.820 -0.033 0.000 2.589 369 A HA 0.329 4.649 4.320 0.001 0.000 0.265 369 A C 1.658 179.225 177.584 -0.029 0.000 0.973 369 A CA 1.013 53.035 52.037 -0.024 0.000 0.902 369 A CB -1.136 17.858 19.000 -0.011 0.000 0.846 369 A HN 2.159 nan 8.150 nan 0.000 0.489 370 G N 1.316 110.098 108.800 -0.030 0.000 2.147 370 G HA2 -0.198 3.762 3.960 0.001 0.000 0.244 370 G HA3 -0.198 3.762 3.960 0.001 0.000 0.244 370 G C -0.034 174.843 174.900 -0.038 0.000 1.005 370 G CA 0.538 45.621 45.100 -0.027 0.000 0.713 370 G HN 0.940 nan 8.290 nan 0.000 0.515 371 L N -0.991 120.196 121.223 -0.061 0.000 2.331 371 L HA 0.544 4.884 4.340 0.001 0.000 0.268 371 L C 0.227 177.046 176.870 -0.085 0.000 1.015 371 L CA -1.265 53.526 54.840 -0.082 0.000 0.807 371 L CB 1.296 43.285 42.059 -0.117 0.000 1.293 371 L HN 0.067 nan 8.230 nan 0.000 0.451 372 N N 1.506 120.151 118.700 -0.091 0.000 3.105 372 N HA 0.357 5.098 4.740 0.001 0.000 0.256 372 N C -1.074 174.395 175.510 -0.069 0.000 1.174 372 N CA -0.186 52.823 53.050 -0.069 0.000 1.030 372 N CB -0.017 38.434 38.487 -0.060 0.000 1.305 372 N HN 0.305 nan 8.380 nan 0.000 0.509 373 I N 1.155 121.676 120.570 -0.081 0.000 2.308 373 I HA 0.056 4.226 4.170 0.001 0.000 0.293 373 I C -0.015 176.101 176.117 -0.002 0.000 1.078 373 I CA -0.484 60.773 61.300 -0.071 0.000 1.292 373 I CB 0.658 38.574 38.000 -0.140 0.000 1.423 373 I HN 0.100 nan 8.210 nan 0.000 0.493 374 V N 6.392 126.330 119.914 0.039 0.000 2.415 374 V HA 0.082 4.202 4.120 0.001 0.000 0.267 374 V C 1.275 177.407 176.094 0.063 0.000 1.042 374 V CA 0.364 62.697 62.300 0.054 0.000 1.000 374 V CB 0.594 32.464 31.823 0.077 0.000 1.015 374 V HN 0.946 nan 8.190 nan 0.000 0.478 375 T N 0.646 115.228 114.554 0.047 0.000 3.054 375 T HA 0.241 4.591 4.350 0.001 0.000 0.255 375 T C 0.275 174.998 174.700 0.038 0.000 1.035 375 T CA -0.253 61.876 62.100 0.047 0.000 0.941 375 T CB 0.157 69.050 68.868 0.041 0.000 1.026 375 T HN 0.705 nan 8.240 nan 0.000 0.533 376 E N 1.091 121.313 120.200 0.036 0.000 2.317 376 E HA 0.334 4.684 4.350 0.001 0.000 0.270 376 E C -1.314 175.311 176.600 0.042 0.000 0.885 376 E CA -0.935 55.483 56.400 0.031 0.000 0.760 376 E CB 1.122 30.834 29.700 0.021 0.000 1.227 376 E HN -0.035 nan 8.360 nan 0.000 0.434 377 T N 2.186 116.766 114.554 0.043 0.000 2.831 377 T HA 0.170 4.520 4.350 0.001 0.000 0.291 377 T C 0.185 174.925 174.700 0.067 0.000 0.981 377 T CA 0.523 62.667 62.100 0.074 0.000 1.174 377 T CB -0.068 68.820 68.868 0.034 0.000 0.929 377 T HN 0.559 nan 8.240 nan 0.000 0.532 378 T N 1.417 116.031 114.554 0.100 0.000 2.881 378 T HA 0.311 4.661 4.350 0.001 0.000 0.291 378 T C -0.888 173.877 174.700 0.108 0.000 0.990 378 T CA -1.168 60.976 62.100 0.073 0.000 0.976 378 T CB 1.024 69.919 68.868 0.045 0.000 0.970 378 T HN 0.333 nan 8.240 nan 0.000 0.438 379 D N 3.366 123.821 120.400 0.091 0.000 2.417 379 D HA 0.351 4.992 4.640 0.001 0.000 0.250 379 D C 0.239 176.582 176.300 0.072 0.000 1.166 379 D CA 0.242 54.306 54.000 0.107 0.000 0.881 379 D CB 0.922 41.761 40.800 0.065 0.000 1.164 379 D HN 0.590 nan 8.370 nan 0.000 0.467 380 R N 0.962 121.505 120.500 0.071 0.000 2.680 380 R HA 0.130 4.470 4.340 0.001 0.000 0.269 380 R C -1.058 175.262 176.300 0.033 0.000 1.026 380 R CA -0.665 55.457 56.100 0.036 0.000 0.889 380 R CB 1.763 32.072 30.300 0.016 0.000 1.241 380 R HN 0.323 nan 8.270 nan 0.000 0.463 381 E N 5.243 125.458 120.200 0.025 0.000 1.893 381 E HA 0.146 4.496 4.350 0.001 0.000 0.269 381 E C -0.779 175.830 176.600 0.014 0.000 1.129 381 E CA -0.222 56.190 56.400 0.022 0.000 0.904 381 E CB 0.302 30.013 29.700 0.018 0.000 1.077 381 E HN 0.378 nan 8.360 nan 0.000 0.407 382 L N 3.139 124.367 121.223 0.009 0.000 2.375 382 L HA 0.241 4.581 4.340 0.001 0.000 0.271 382 L C 1.103 177.982 176.870 0.016 0.000 1.107 382 L CA -0.332 54.514 54.840 0.009 0.000 0.806 382 L CB 1.421 43.476 42.059 -0.008 0.000 1.146 382 L HN 0.465 nan 8.230 nan 0.000 0.447 383 T N -1.382 113.185 114.554 0.022 0.000 3.098 383 T HA 0.081 4.431 4.350 0.001 0.000 0.246 383 T C 0.334 175.052 174.700 0.029 0.000 0.983 383 T CA 0.302 62.414 62.100 0.021 0.000 1.094 383 T CB 0.605 69.484 68.868 0.019 0.000 1.035 383 T HN 0.587 nan 8.240 nan 0.000 0.456 384 T N 3.071 117.648 114.554 0.039 0.000 2.881 384 T HA 0.659 5.010 4.350 0.001 0.000 0.291 384 T C -0.674 174.064 174.700 0.064 0.000 0.990 384 T CA -0.697 61.431 62.100 0.047 0.000 0.976 384 T CB 1.890 70.785 68.868 0.046 0.000 0.970 384 T HN 0.246 nan 8.240 nan 0.000 0.438 385 V N 1.330 121.288 119.914 0.072 0.000 2.960 385 V HA 0.879 4.999 4.120 0.001 0.000 0.315 385 V C -0.589 175.540 176.094 0.057 0.000 1.087 385 V CA -1.242 61.117 62.300 0.098 0.000 0.982 385 V CB 2.174 34.099 31.823 0.171 0.000 1.039 385 V HN 0.954 nan 8.190 nan 0.000 0.437 386 M N 2.707 122.314 119.600 0.012 0.000 2.457 386 M HA 0.720 5.200 4.480 0.001 0.000 0.300 386 M C -1.087 175.177 176.300 -0.060 0.000 1.141 386 M CA -0.212 55.086 55.300 -0.003 0.000 0.901 386 M CB 2.207 34.830 32.600 0.038 0.000 1.687 386 M HN 0.924 nan 8.290 nan 0.000 0.449 387 S N 2.866 118.539 115.700 -0.046 0.000 2.557 387 S HA 0.622 5.092 4.470 0.001 0.000 0.291 387 S C -1.420 173.101 174.600 -0.130 0.000 1.116 387 S CA -0.739 57.411 58.200 -0.083 0.000 0.992 387 S CB 1.098 64.261 63.200 -0.063 0.000 1.028 387 S HN 0.816 nan 8.310 nan 0.000 0.484 388 N N 2.018 120.591 118.700 -0.213 0.000 2.372 388 N HA 0.518 5.258 4.740 0.001 0.000 0.291 388 N C -1.442 173.696 175.510 -0.619 0.000 1.024 388 N CA -0.386 52.386 53.050 -0.463 0.000 0.873 388 N CB 1.878 40.038 38.487 -0.545 0.000 1.206 388 N HN 0.414 nan 8.380 nan 0.000 0.486 389 S N 1.967 117.215 115.700 -0.754 0.000 2.659 389 S HA 0.581 5.051 4.470 0.001 0.000 0.312 389 S C -1.125 173.006 174.600 -0.780 0.000 1.114 389 S CA -0.616 57.182 58.200 -0.670 0.000 1.063 389 S CB 0.343 63.349 63.200 -0.322 0.000 0.996 389 S HN 0.271 nan 8.310 nan 0.000 0.478 390 F N 1.300 120.771 119.950 -0.798 0.000 2.520 390 F HA 0.796 5.323 4.527 0.001 0.000 0.322 390 F C 0.769 176.321 175.800 -0.412 0.000 1.103 390 F CA -1.010 56.688 58.000 -0.503 0.000 0.926 390 F CB 1.708 40.482 39.000 -0.378 0.000 1.154 390 F HN 0.640 nan 8.300 nan 0.000 0.453 391 G N 1.221 110.074 108.800 0.089 0.000 2.537 391 G HA2 0.593 4.553 3.960 0.001 0.000 0.308 391 G HA3 0.593 4.553 3.960 0.001 0.000 0.308 391 G C -1.259 173.796 174.900 0.259 0.000 1.237 391 G CA -0.688 44.474 45.100 0.104 0.000 0.968 391 G HN 0.210 nan 8.290 nan 0.000 0.481 392 F N 0.331 120.379 119.950 0.165 0.000 2.628 392 F HA 0.357 4.885 4.527 0.000 0.000 0.362 392 F C 1.720 177.581 175.800 0.102 0.000 1.148 392 F CA 0.952 59.036 58.000 0.141 0.000 1.352 392 F CB 0.659 39.752 39.000 0.155 0.000 1.081 392 F HN 1.014 nan 8.300 nan 0.000 0.605 393 G N 0.725 109.683 108.800 0.262 0.000 2.157 393 G HA2 0.028 3.989 3.960 0.001 0.000 0.248 393 G HA3 0.028 3.989 3.960 0.001 0.000 0.248 393 G C 0.905 175.874 174.900 0.115 0.000 0.979 393 G CA 0.403 45.590 45.100 0.145 0.000 0.650 393 G HN 1.955 nan 8.290 nan 0.000 0.529 394 G N -1.300 107.582 108.800 0.137 0.000 2.198 394 G HA2 0.089 4.049 3.960 0.001 0.000 0.257 394 G HA3 0.089 4.049 3.960 0.001 0.000 0.257 394 G C 0.359 175.313 174.900 0.091 0.000 1.042 394 G CA 1.335 46.488 45.100 0.089 0.000 0.791 394 G HN 2.007 nan 8.290 nan 0.000 0.502 395 T N 0.482 115.121 114.554 0.141 0.000 2.744 395 T HA 0.565 4.915 4.350 0.001 0.000 0.291 395 T C -0.095 174.756 174.700 0.251 0.000 0.957 395 T CA -0.567 61.640 62.100 0.178 0.000 1.002 395 T CB 0.275 69.254 68.868 0.185 0.000 0.919 395 T HN 0.283 nan 8.240 nan 0.000 0.468 396 N N 3.397 122.256 118.700 0.266 0.000 2.342 396 N HA 0.667 5.407 4.740 0.001 0.000 0.293 396 N C -1.117 174.523 175.510 0.218 0.000 1.026 396 N CA -0.543 52.702 53.050 0.325 0.000 0.857 396 N CB 1.999 40.627 38.487 0.235 0.000 1.256 396 N HN 0.743 nan 8.380 nan 0.000 0.484 397 A N 1.090 123.923 122.820 0.021 0.000 2.414 397 A HA 0.811 5.132 4.320 0.001 0.000 0.306 397 A C -0.634 176.896 177.584 -0.090 0.000 1.054 397 A CA -0.484 51.469 52.037 -0.141 0.000 0.724 397 A CB 1.259 19.924 19.000 -0.557 0.000 1.267 397 A HN 0.443 nan 8.150 nan 0.000 0.418 398 T N 2.221 116.779 114.554 0.007 0.000 2.921 398 T HA 0.580 4.930 4.350 0.001 0.000 0.297 398 T C -0.890 173.860 174.700 0.082 0.000 1.013 398 T CA -0.219 61.886 62.100 0.009 0.000 0.990 398 T CB 0.862 69.760 68.868 0.050 0.000 1.023 398 T HN 0.496 nan 8.240 nan 0.000 0.447 399 L N 2.652 123.897 121.223 0.037 0.000 2.346 399 L HA 0.779 5.119 4.340 0.001 0.000 0.276 399 L C -0.738 176.156 176.870 0.040 0.000 1.006 399 L CA -1.160 53.713 54.840 0.055 0.000 0.817 399 L CB 1.999 44.057 42.059 -0.002 0.000 1.272 399 L HN 0.325 nan 8.230 nan 0.000 0.421 400 V N 4.022 123.970 119.914 0.057 0.000 2.409 400 V HA 0.495 4.615 4.120 0.001 0.000 0.291 400 V C -0.120 175.998 176.094 0.040 0.000 1.020 400 V CA -0.299 62.032 62.300 0.051 0.000 0.848 400 V CB 1.706 33.568 31.823 0.065 0.000 0.990 400 V HN 0.714 nan 8.190 nan 0.000 0.430 401 M N 5.328 124.947 119.600 0.033 0.000 2.311 401 M HA 0.647 5.127 4.480 0.001 0.000 0.325 401 M C -0.487 175.831 176.300 0.031 0.000 1.061 401 M CA -0.359 54.955 55.300 0.024 0.000 0.957 401 M CB 2.425 35.033 32.600 0.013 0.000 1.646 401 M HN 0.562 nan 8.290 nan 0.000 0.434 402 R N 1.587 122.102 120.500 0.024 0.000 2.744 402 R HA 0.491 4.831 4.340 0.001 0.000 0.279 402 R C -1.100 175.208 176.300 0.014 0.000 0.977 402 R CA -0.815 55.298 56.100 0.023 0.000 0.906 402 R CB 2.001 32.315 30.300 0.023 0.000 1.197 402 R HN 0.623 nan 8.270 nan 0.000 0.463 403 K N 2.684 123.091 120.400 0.011 0.000 2.436 403 K HA 0.094 4.414 4.320 0.001 0.000 0.275 403 K C 0.160 176.755 176.600 -0.007 0.000 0.999 403 K CA -0.001 56.285 56.287 -0.001 0.000 0.980 403 K CB 0.585 33.084 32.500 -0.001 0.000 0.919 403 K HN 0.406 nan 8.250 nan 0.000 0.484 404 L N 0.000 121.211 121.223 -0.020 0.000 2.949 404 L HA 0.000 4.340 4.340 0.001 0.000 0.249 404 L CA 0.000 54.828 54.840 -0.020 0.000 0.813 404 L CB 0.000 42.040 42.059 -0.032 0.000 0.961 404 L HN 0.000 nan 8.230 nan 0.000 0.502