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 2byx_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKRVVITGLG 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 SPAISATAAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD 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 32.609 32.600 0.015 0.000 1.302 2 K N 2.110 122.515 120.400 0.008 0.000 2.382 2 K HA 0.361 4.681 4.320 -0.000 0.000 0.275 2 K C -0.575 176.026 176.600 0.003 0.000 1.009 2 K CA 0.159 56.448 56.287 0.004 0.000 0.970 2 K CB 0.417 32.916 32.500 -0.002 0.000 0.934 2 K HN 0.544 nan 8.250 nan 0.000 0.479 3 R N 0.761 121.261 120.500 0.001 0.000 2.457 3 R HA 0.410 4.750 4.340 -0.000 0.000 0.284 3 R C -0.298 175.994 176.300 -0.013 0.000 1.024 3 R CA -0.729 55.370 56.100 -0.002 0.000 1.025 3 R CB 1.003 31.302 30.300 -0.000 0.000 1.063 3 R HN 0.215 nan 8.270 nan 0.000 0.493 4 V N 2.981 122.884 119.914 -0.018 0.000 2.604 4 V HA 0.518 4.638 4.120 -0.000 0.000 0.305 4 V C -0.142 175.930 176.094 -0.038 0.000 1.043 4 V CA -0.797 61.481 62.300 -0.036 0.000 0.888 4 V CB 1.724 33.519 31.823 -0.047 0.000 0.995 4 V HN 0.637 nan 8.190 nan 0.000 0.429 5 V N 1.771 121.656 119.914 -0.049 0.000 3.102 5 V HA 0.695 4.815 4.120 -0.000 0.000 0.312 5 V C -0.995 175.066 176.094 -0.055 0.000 1.135 5 V CA -0.924 61.349 62.300 -0.045 0.000 1.022 5 V CB 2.522 34.320 31.823 -0.042 0.000 1.056 5 V HN 0.571 nan 8.190 nan 0.000 0.436 6 I N 2.746 123.297 120.570 -0.032 0.000 2.312 6 I HA 0.434 4.604 4.170 -0.000 0.000 0.290 6 I C 1.124 177.278 176.117 0.063 0.000 1.008 6 I CA 0.183 61.472 61.300 -0.019 0.000 1.226 6 I CB 1.143 39.126 38.000 -0.030 0.000 1.371 6 I HN 1.044 nan 8.210 nan 0.000 0.468 7 T N 1.244 115.822 114.554 0.039 0.000 3.085 7 T HA 0.502 4.852 4.350 -0.000 0.000 0.264 7 T C 0.548 175.358 174.700 0.183 0.000 1.019 7 T CA -0.308 61.832 62.100 0.067 0.000 0.910 7 T CB 0.413 69.277 68.868 -0.007 0.000 1.059 7 T HN 0.752 nan 8.240 nan 0.000 0.542 8 G N 1.363 110.281 108.800 0.197 0.000 2.616 8 G HA2 0.541 4.501 3.960 -0.000 0.000 0.294 8 G HA3 0.541 4.501 3.960 -0.000 0.000 0.294 8 G C -2.133 172.778 174.900 0.019 0.000 1.489 8 G CA -0.938 44.280 45.100 0.196 0.000 0.836 8 G HN 0.657 nan 8.290 nan 0.000 0.527 9 L N -1.204 120.011 121.223 -0.013 0.000 2.465 9 L HA 1.045 5.385 4.340 -0.000 0.000 0.257 9 L C -0.059 176.773 176.870 -0.063 0.000 0.988 9 L CA -0.885 53.885 54.840 -0.117 0.000 0.827 9 L CB 1.779 43.667 42.059 -0.285 0.000 1.397 9 L HN 1.251 nan 8.230 nan 0.000 0.410 10 G N 0.979 109.732 108.800 -0.078 0.000 2.667 10 G HA2 0.806 4.766 3.960 -0.000 0.000 0.298 10 G HA3 0.806 4.766 3.960 -0.000 0.000 0.298 10 G C -1.975 172.886 174.900 -0.065 0.000 1.377 10 G CA -0.708 44.359 45.100 -0.055 0.000 0.964 10 G HN 1.006 nan 8.290 nan 0.000 0.493 11 I N 0.503 121.047 120.570 -0.042 0.000 2.842 11 I HA 0.594 4.764 4.170 -0.000 0.000 0.297 11 I C -1.540 174.556 176.117 -0.036 0.000 1.380 11 I CA -0.940 60.328 61.300 -0.053 0.000 1.018 11 I CB 2.382 40.343 38.000 -0.064 0.000 1.311 11 I HN 0.353 nan 8.210 nan 0.000 0.439 12 V N 6.146 126.021 119.914 -0.065 0.000 2.445 12 V HA 0.528 4.648 4.120 -0.000 0.000 0.283 12 V C -0.335 175.653 176.094 -0.175 0.000 1.014 12 V CA -0.222 62.015 62.300 -0.105 0.000 0.852 12 V CB 1.225 32.984 31.823 -0.106 0.000 1.021 12 V HN 0.820 nan 8.190 nan 0.000 0.435 13 S N 2.215 117.845 115.700 -0.117 0.000 2.732 13 S HA 0.484 4.954 4.470 -0.000 0.000 0.293 13 S C 1.184 175.722 174.600 -0.103 0.000 1.159 13 S CA 0.089 58.226 58.200 -0.105 0.000 0.847 13 S CB 1.786 65.010 63.200 0.041 0.000 1.169 13 S HN 0.882 nan 8.310 nan 0.000 0.501 14 S N 0.387 116.033 115.700 -0.090 0.000 2.442 14 S HA -0.095 4.375 4.470 -0.000 0.000 0.236 14 S C 1.412 175.985 174.600 -0.046 0.000 1.007 14 S CA 1.126 59.277 58.200 -0.082 0.000 0.965 14 S CB -1.155 62.008 63.200 -0.062 0.000 0.773 14 S HN 1.031 nan 8.310 nan 0.000 0.504 15 I N -2.515 118.037 120.570 -0.029 0.000 3.927 15 I HA 0.682 4.852 4.170 -0.000 0.000 0.332 15 I C 0.498 176.603 176.117 -0.019 0.000 1.485 15 I CA -0.440 60.839 61.300 -0.034 0.000 1.131 15 I CB 0.213 38.168 38.000 -0.075 0.000 1.092 15 I HN 0.268 nan 8.210 nan 0.000 0.410 16 G N 1.100 109.892 108.800 -0.014 0.000 2.378 16 G HA2 0.039 3.999 3.960 -0.000 0.000 0.302 16 G HA3 0.039 3.999 3.960 -0.000 0.000 0.302 16 G C -0.850 174.042 174.900 -0.012 0.000 1.669 16 G CA -0.665 44.432 45.100 -0.006 0.000 0.920 16 G HN 0.023 nan 8.290 nan 0.000 0.697 17 N N 0.270 118.963 118.700 -0.013 0.000 2.270 17 N HA 0.114 4.854 4.740 -0.000 0.000 0.198 17 N C 0.287 175.798 175.510 0.002 0.000 1.117 17 N CA 0.568 53.610 53.050 -0.014 0.000 0.845 17 N CB 0.315 38.797 38.487 -0.008 0.000 0.980 17 N HN 0.827 nan 8.380 nan 0.000 0.486 18 N N -1.783 116.923 118.700 0.010 0.000 3.185 18 N HA -0.029 4.711 4.740 -0.000 0.000 0.238 18 N C 0.372 175.900 175.510 0.030 0.000 1.451 18 N CA -0.696 52.364 53.050 0.018 0.000 0.888 18 N CB 0.517 39.016 38.487 0.020 0.000 1.413 18 N HN -0.149 nan 8.380 nan 0.000 0.511 19 Q N -0.784 119.039 119.800 0.040 0.000 2.226 19 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 19 Q C 0.958 176.990 176.000 0.052 0.000 0.975 19 Q CA 1.352 57.192 55.803 0.062 0.000 0.866 19 Q CB -0.245 28.543 28.738 0.083 0.000 0.915 19 Q HN 0.699 nan 8.270 nan 0.000 0.440 20 Q N 0.847 120.666 119.800 0.031 0.000 2.046 20 Q HA -0.160 4.180 4.340 -0.000 0.000 0.200 20 Q C 1.967 177.956 176.000 -0.019 0.000 0.975 20 Q CA 1.723 57.526 55.803 -0.001 0.000 0.836 20 Q CB 0.045 28.782 28.738 -0.002 0.000 0.896 20 Q HN 0.586 nan 8.270 nan 0.000 0.428 21 E N -0.115 120.081 120.200 -0.006 0.000 2.072 21 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 21 E C 2.130 178.723 176.600 -0.012 0.000 0.985 21 E CA 1.113 57.505 56.400 -0.015 0.000 0.801 21 E CB 0.061 29.756 29.700 -0.008 0.000 0.750 21 E HN 0.106 nan 8.360 nan 0.000 0.452 22 V N 1.622 121.548 119.914 0.019 0.000 2.287 22 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 22 V C 2.350 178.458 176.094 0.024 0.000 1.053 22 V CA 1.546 63.873 62.300 0.046 0.000 1.027 22 V CB -0.445 31.466 31.823 0.146 0.000 0.646 22 V HN 0.236 nan 8.190 nan 0.000 0.447 23 L N 0.930 122.164 121.223 0.019 0.000 2.012 23 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 23 L C 2.459 179.253 176.870 -0.128 0.000 1.073 23 L CA 2.544 57.365 54.840 -0.032 0.000 0.748 23 L CB -1.034 40.942 42.059 -0.139 0.000 0.891 23 L HN 0.229 nan 8.230 nan 0.000 0.431 24 A N -1.410 121.337 122.820 -0.122 0.000 1.883 24 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 24 A C 2.388 179.905 177.584 -0.110 0.000 1.186 24 A CA 2.166 54.123 52.037 -0.133 0.000 0.624 24 A CB -1.109 17.834 19.000 -0.096 0.000 0.822 24 A HN 0.556 nan 8.150 nan 0.000 0.444 25 S N -0.125 115.529 115.700 -0.078 0.000 2.370 25 S HA -0.114 4.356 4.470 -0.000 0.000 0.226 25 S C 1.831 176.386 174.600 -0.076 0.000 1.033 25 S CA 1.523 59.680 58.200 -0.072 0.000 1.011 25 S CB -0.482 62.676 63.200 -0.070 0.000 0.852 25 S HN 0.502 nan 8.310 nan 0.000 0.457 26 L N 0.730 121.917 121.223 -0.059 0.000 2.046 26 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 26 L C 2.714 179.610 176.870 0.043 0.000 1.077 26 L CA 1.265 56.114 54.840 0.015 0.000 0.747 26 L CB -0.425 41.737 42.059 0.172 0.000 0.896 26 L HN 0.206 nan 8.230 nan 0.000 0.432 27 R N 0.058 120.474 120.500 -0.141 0.000 2.115 27 R HA -0.137 4.203 4.340 -0.000 0.000 0.230 27 R C 1.833 178.051 176.300 -0.135 0.000 1.111 27 R CA 1.209 57.139 56.100 -0.284 0.000 0.976 27 R CB -0.078 29.923 30.300 -0.499 0.000 0.870 27 R HN 0.468 nan 8.270 nan 0.000 0.445 28 E N -0.866 119.272 120.200 -0.103 0.000 2.474 28 E HA 0.091 4.441 4.350 -0.000 0.000 0.194 28 E C 0.614 177.188 176.600 -0.043 0.000 1.041 28 E CA 0.296 56.654 56.400 -0.070 0.000 0.874 28 E CB 0.723 30.382 29.700 -0.069 0.000 0.914 28 E HN 0.438 nan 8.360 nan 0.000 0.498 29 G N 2.599 111.377 108.800 -0.035 0.000 2.249 29 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.273 29 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.273 29 G C -0.032 174.849 174.900 -0.032 0.000 1.036 29 G CA 0.144 45.229 45.100 -0.025 0.000 0.824 29 G HN 0.142 nan 8.290 nan 0.000 0.504 30 R N 0.239 120.715 120.500 -0.041 0.000 2.438 30 R HA 0.427 4.767 4.340 -0.000 0.000 0.287 30 R C 0.836 177.115 176.300 -0.036 0.000 1.077 30 R CA 0.377 56.456 56.100 -0.034 0.000 1.034 30 R CB 0.877 31.155 30.300 -0.036 0.000 0.993 30 R HN 0.273 nan 8.270 nan 0.000 0.459 31 S N 0.922 116.611 115.700 -0.019 0.000 2.565 31 S HA 0.255 4.725 4.470 -0.000 0.000 0.274 31 S C 0.932 175.531 174.600 -0.001 0.000 1.309 31 S CA -0.449 57.745 58.200 -0.011 0.000 1.043 31 S CB 1.261 64.464 63.200 0.004 0.000 0.939 31 S HN 0.755 nan 8.310 nan 0.000 0.504 32 G N 3.819 112.619 108.800 0.000 0.000 3.393 32 G HA2 0.249 4.209 3.960 -0.000 0.000 0.255 32 G HA3 0.249 4.209 3.960 -0.000 0.000 0.255 32 G C 0.047 174.975 174.900 0.046 0.000 1.097 32 G CA -0.263 44.842 45.100 0.009 0.000 0.780 32 G HN 0.606 nan 8.290 nan 0.000 0.540 33 I N 2.584 123.196 120.570 0.069 0.000 2.365 33 I HA 0.403 4.573 4.170 -0.000 0.000 0.291 33 I C 0.623 176.836 176.117 0.161 0.000 1.004 33 I CA -0.349 61.026 61.300 0.125 0.000 1.311 33 I CB 0.531 38.595 38.000 0.106 0.000 1.401 33 I HN 0.085 nan 8.210 nan 0.000 0.491 34 T N 2.541 117.245 114.554 0.249 0.000 2.865 34 T HA 0.541 4.891 4.350 -0.000 0.000 0.294 34 T C -0.543 174.308 174.700 0.251 0.000 1.119 34 T CA -0.730 61.524 62.100 0.257 0.000 1.007 34 T CB 1.779 70.812 68.868 0.276 0.000 1.225 34 T HN 0.202 nan 8.240 nan 0.000 0.515 35 F N 1.641 121.638 119.950 0.078 0.000 2.429 35 F HA 0.571 5.098 4.527 -0.000 0.000 0.348 35 F C 0.443 176.160 175.800 -0.137 0.000 1.109 35 F CA -0.185 57.806 58.000 -0.014 0.000 1.232 35 F CB 0.973 39.974 39.000 0.003 0.000 1.157 35 F HN 0.681 nan 8.300 nan 0.000 0.564 36 S N 4.838 119.748 115.700 -1.318 0.000 2.566 36 S HA 0.200 4.670 4.470 -0.000 0.000 0.324 36 S C 0.503 174.293 174.600 -1.350 0.000 1.081 36 S CA -0.659 56.715 58.200 -1.376 0.000 1.105 36 S CB 1.315 63.240 63.200 -2.125 0.000 0.981 36 S HN 0.875 nan 8.310 nan 0.000 0.464 37 Q N 3.432 122.769 119.800 -0.771 0.000 2.167 37 Q HA -0.044 4.296 4.340 -0.000 0.000 0.202 37 Q C 1.758 177.525 176.000 -0.388 0.000 0.970 37 Q CA 2.076 57.630 55.803 -0.414 0.000 0.855 37 Q CB -0.158 28.545 28.738 -0.058 0.000 0.911 37 Q HN 0.906 nan 8.270 nan 0.000 0.438 38 E N -0.436 119.538 120.200 -0.376 0.000 2.058 38 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 38 E C 1.815 178.244 176.600 -0.284 0.000 0.997 38 E CA 1.395 57.653 56.400 -0.236 0.000 0.801 38 E CB -0.177 29.492 29.700 -0.051 0.000 0.746 38 E HN 0.447 nan 8.360 nan 0.000 0.450 39 L N 0.580 121.530 121.223 -0.454 0.000 2.046 39 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 39 L C 2.850 179.554 176.870 -0.276 0.000 1.077 39 L CA 1.432 56.106 54.840 -0.276 0.000 0.747 39 L CB -0.527 41.336 42.059 -0.327 0.000 0.896 39 L HN 0.148 nan 8.230 nan 0.000 0.432 40 K N 0.352 120.454 120.400 -0.498 0.000 2.026 40 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 40 K C 1.708 178.096 176.600 -0.354 0.000 1.048 40 K CA 1.897 57.796 56.287 -0.646 0.000 0.929 40 K CB -0.014 32.007 32.500 -0.797 0.000 0.713 40 K HN 0.181 nan 8.250 nan 0.000 0.439 41 D N 0.278 120.498 120.400 -0.299 0.000 2.182 41 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 41 D C 1.904 178.035 176.300 -0.282 0.000 0.986 41 D CA 1.600 55.456 54.000 -0.241 0.000 0.847 41 D CB -0.229 40.443 40.800 -0.214 0.000 0.942 41 D HN 0.372 nan 8.370 nan 0.000 0.467 42 S N -0.927 114.572 115.700 -0.334 0.000 2.507 42 S HA 0.095 4.565 4.470 -0.000 0.000 0.235 42 S C 1.751 176.202 174.600 -0.247 0.000 0.988 42 S CA 1.030 58.964 58.200 -0.444 0.000 0.944 42 S CB 0.078 63.026 63.200 -0.420 0.000 0.762 42 S HN 0.351 nan 8.310 nan 0.000 0.526 43 G N 0.389 109.098 108.800 -0.153 0.000 2.159 43 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.227 43 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.227 43 G C -0.014 174.893 174.900 0.012 0.000 0.986 43 G CA 0.080 45.139 45.100 -0.068 0.000 0.651 43 G HN 0.487 nan 8.290 nan 0.000 0.523 44 M N -0.538 119.086 119.600 0.040 0.000 2.202 44 M HA 0.448 4.928 4.480 -0.000 0.000 0.316 44 M C 1.839 178.256 176.300 0.196 0.000 1.138 44 M CA -0.033 55.333 55.300 0.110 0.000 1.151 44 M CB 0.584 33.257 32.600 0.121 0.000 1.422 44 M HN 0.149 nan 8.290 nan 0.000 0.471 45 R N -0.446 120.112 120.500 0.097 0.000 2.189 45 R HA 0.117 4.457 4.340 -0.000 0.000 0.203 45 R C 0.434 176.580 176.300 -0.257 0.000 1.012 45 R CA 0.192 56.277 56.100 -0.024 0.000 1.015 45 R CB 0.265 30.546 30.300 -0.031 0.000 0.938 45 R HN 0.566 nan 8.270 nan 0.000 0.472 46 S N 0.494 116.142 115.700 -0.086 0.000 2.465 46 S HA 0.124 4.594 4.470 -0.000 0.000 0.279 46 S C -0.119 174.490 174.600 0.014 0.000 1.201 46 S CA -0.540 57.595 58.200 -0.109 0.000 1.053 46 S CB 0.312 63.483 63.200 -0.048 0.000 0.953 46 S HN 0.344 nan 8.310 nan 0.000 0.488 47 H N 2.855 121.865 119.070 -0.100 0.000 2.475 47 H HA 0.340 4.896 4.556 -0.000 0.000 0.276 47 H C -0.083 175.026 175.328 -0.366 0.000 1.126 47 H CA -0.634 55.245 56.048 -0.281 0.000 1.023 47 H CB 0.517 30.182 29.762 -0.162 0.000 1.669 47 H HN 0.450 nan 8.280 nan 0.000 0.573 48 V N -1.678 118.178 119.914 -0.096 0.000 2.914 48 V HA 0.653 4.773 4.120 -0.000 0.000 0.314 48 V C -1.304 174.847 176.094 0.096 0.000 1.084 48 V CA -0.915 61.365 62.300 -0.034 0.000 0.963 48 V CB 2.156 34.032 31.823 0.089 0.000 1.025 48 V HN 0.405 nan 8.190 nan 0.000 0.432 49 W N 1.157 122.465 121.300 0.012 0.000 3.059 49 W HA 0.805 5.465 4.660 -0.000 0.000 0.329 49 W C -0.327 176.204 176.519 0.020 0.000 1.246 49 W CA -1.684 55.670 57.345 0.016 0.000 1.190 49 W CB 0.828 30.296 29.460 0.014 0.000 1.423 49 W HN 1.033 nan 8.180 nan 0.000 0.571 50 G N 2.022 110.924 108.800 0.170 0.000 3.161 50 G HA2 0.378 4.338 3.960 -0.000 0.000 0.328 50 G HA3 0.378 4.338 3.960 -0.000 0.000 0.328 50 G C -0.360 174.401 174.900 -0.232 0.000 1.037 50 G CA -0.794 44.306 45.100 0.001 0.000 1.416 50 G HN 0.613 nan 8.290 nan 0.000 0.486 51 N N -0.154 118.307 118.700 -0.399 0.000 2.513 51 N HA 0.380 5.120 4.740 -0.000 0.000 0.274 51 N C -0.404 174.913 175.510 -0.321 0.000 1.189 51 N CA -0.856 51.835 53.050 -0.598 0.000 0.975 51 N CB 1.841 39.878 38.487 -0.750 0.000 1.157 51 N HN -0.028 nan 8.380 nan 0.000 0.465 52 V N 1.156 120.867 119.914 -0.338 0.000 2.408 52 V HA 0.090 4.210 4.120 -0.000 0.000 0.267 52 V C -0.095 175.911 176.094 -0.145 0.000 1.047 52 V CA -0.405 61.728 62.300 -0.278 0.000 0.937 52 V CB 0.461 32.002 31.823 -0.469 0.000 0.999 52 V HN 0.671 nan 8.190 nan 0.000 0.472 53 K N 5.691 126.037 120.400 -0.090 0.000 2.180 53 K HA 0.610 4.930 4.320 -0.000 0.000 0.250 53 K C -0.867 175.724 176.600 -0.015 0.000 1.135 53 K CA 0.042 56.311 56.287 -0.031 0.000 1.037 53 K CB 0.305 32.800 32.500 -0.010 0.000 1.624 53 K HN 0.482 nan 8.250 nan 0.000 0.382 54 L N 0.889 122.113 121.223 0.002 0.000 2.611 54 L HA 0.316 4.656 4.340 -0.000 0.000 0.260 54 L C -1.902 174.995 176.870 0.045 0.000 0.924 54 L CA -0.541 54.312 54.840 0.022 0.000 0.901 54 L CB 2.154 44.226 42.059 0.021 0.000 1.369 54 L HN 0.296 nan 8.230 nan 0.000 0.415 55 D N 1.869 122.293 120.400 0.039 0.000 2.365 55 D HA 0.293 4.933 4.640 -0.000 0.000 0.237 55 D C 1.000 177.325 176.300 0.042 0.000 1.190 55 D CA 0.543 54.567 54.000 0.039 0.000 0.867 55 D CB 1.331 42.148 40.800 0.029 0.000 1.050 55 D HN 0.686 nan 8.370 nan 0.000 0.491 56 T N -0.443 114.140 114.554 0.048 0.000 3.100 56 T HA -0.003 4.347 4.350 -0.000 0.000 0.253 56 T C 0.982 175.687 174.700 0.007 0.000 1.118 56 T CA -0.004 62.121 62.100 0.042 0.000 1.058 56 T CB -0.678 68.222 68.868 0.054 0.000 0.953 56 T HN 0.434 nan 8.240 nan 0.000 0.515 57 T N 0.020 114.576 114.554 0.002 0.000 2.871 57 T HA 0.394 4.744 4.350 -0.000 0.000 0.296 57 T C 1.678 176.369 174.700 -0.015 0.000 0.998 57 T CA 0.193 62.285 62.100 -0.015 0.000 1.162 57 T CB 0.159 69.022 68.868 -0.008 0.000 0.947 57 T HN 0.990 nan 8.240 nan 0.000 0.536 58 G N 2.715 111.495 108.800 -0.033 0.000 2.184 58 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.264 58 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.264 58 G C 0.727 175.615 174.900 -0.021 0.000 0.975 58 G CA 0.372 45.454 45.100 -0.030 0.000 0.642 58 G HN 0.767 nan 8.290 nan 0.000 0.536 59 L N -0.221 120.994 121.223 -0.013 0.000 2.376 59 L HA 0.332 4.672 4.340 -0.000 0.000 0.219 59 L C 1.219 178.092 176.870 0.005 0.000 1.133 59 L CA 0.728 55.578 54.840 0.017 0.000 0.816 59 L CB -0.117 41.969 42.059 0.047 0.000 0.933 59 L HN 0.310 nan 8.230 nan 0.000 0.449 60 I N -1.350 119.172 120.570 -0.080 0.000 2.608 60 I HA 0.211 4.381 4.170 -0.000 0.000 0.295 60 I C -0.560 175.453 176.117 -0.173 0.000 1.049 60 I CA -1.013 60.174 61.300 -0.188 0.000 1.063 60 I CB 2.136 39.878 38.000 -0.430 0.000 1.248 60 I HN -0.150 nan 8.210 nan 0.000 0.424 61 D N 5.050 125.353 120.400 -0.161 0.000 2.525 61 D HA -0.015 4.625 4.640 -0.000 0.000 0.235 61 D C 1.162 177.375 176.300 -0.146 0.000 1.137 61 D CA 0.149 54.076 54.000 -0.121 0.000 0.868 61 D CB 1.122 41.864 40.800 -0.096 0.000 1.180 61 D HN 0.410 nan 8.370 nan 0.000 0.465 62 R N 2.742 123.173 120.500 -0.115 0.000 2.103 62 R HA -0.170 4.170 4.340 -0.000 0.000 0.242 62 R C 1.808 178.017 176.300 -0.152 0.000 1.142 62 R CA 1.260 57.280 56.100 -0.133 0.000 0.960 62 R CB -0.220 30.019 30.300 -0.102 0.000 0.858 62 R HN 0.499 nan 8.270 nan 0.000 0.439 63 K N 0.144 120.486 120.400 -0.098 0.000 2.283 63 K HA -0.025 4.295 4.320 -0.000 0.000 0.202 63 K C 2.049 178.657 176.600 0.013 0.000 1.048 63 K CA 0.835 57.092 56.287 -0.049 0.000 0.948 63 K CB 0.136 32.639 32.500 0.005 0.000 0.742 63 K HN -0.008 nan 8.250 nan 0.000 0.458 64 V N 0.044 119.921 119.914 -0.062 0.000 2.492 64 V HA -0.101 4.019 4.120 -0.000 0.000 0.241 64 V C 1.917 177.937 176.094 -0.124 0.000 1.041 64 V CA 0.865 63.126 62.300 -0.066 0.000 1.057 64 V CB 0.228 31.930 31.823 -0.202 0.000 0.711 64 V HN 0.074 nan 8.190 nan 0.000 0.468 65 V N 2.400 122.167 119.914 -0.246 0.000 2.913 65 V HA -0.194 3.926 4.120 -0.000 0.000 0.260 65 V C 2.721 178.632 176.094 -0.304 0.000 1.098 65 V CA 2.050 64.178 62.300 -0.286 0.000 1.121 65 V CB -0.686 30.967 31.823 -0.283 0.000 0.714 65 V HN 0.713 nan 8.190 nan 0.000 0.487 66 R N -1.147 119.121 120.500 -0.385 0.000 2.241 66 R HA -0.102 4.238 4.340 -0.000 0.000 0.224 66 R C 1.628 177.420 176.300 -0.847 0.000 1.101 66 R CA 1.904 57.569 56.100 -0.726 0.000 0.995 66 R CB -0.593 29.063 30.300 -1.074 0.000 0.870 66 R HN 0.507 nan 8.270 nan 0.000 0.463 67 F N 0.749 120.473 119.950 -0.377 0.000 2.727 67 F HA 0.375 4.902 4.527 -0.000 0.000 0.302 67 F C 0.705 176.360 175.800 -0.242 0.000 1.097 67 F CA -0.326 57.546 58.000 -0.214 0.000 1.330 67 F CB 0.287 39.230 39.000 -0.095 0.000 1.084 67 F HN -0.123 nan 8.300 nan 0.000 0.578 68 M N -0.162 119.338 119.600 -0.165 0.000 2.423 68 M HA 0.358 4.838 4.480 -0.000 0.000 0.335 68 M C 0.362 176.462 176.300 -0.333 0.000 1.177 68 M CA -0.640 54.537 55.300 -0.204 0.000 1.038 68 M CB 1.711 34.199 32.600 -0.187 0.000 1.641 68 M HN -0.019 nan 8.290 nan 0.000 0.455 69 S N -0.410 115.135 115.700 -0.258 0.000 2.745 69 S HA 0.361 4.831 4.470 -0.000 0.000 0.292 69 S C 0.264 174.770 174.600 -0.155 0.000 1.133 69 S CA -0.816 57.267 58.200 -0.195 0.000 0.998 69 S CB 1.085 64.256 63.200 -0.049 0.000 1.087 69 S HN 0.672 nan 8.310 nan 0.000 0.551 70 D N 1.085 121.399 120.400 -0.143 0.000 2.149 70 D HA -0.051 4.589 4.640 -0.000 0.000 0.198 70 D C 2.156 178.116 176.300 -0.566 0.000 0.990 70 D CA 1.786 55.512 54.000 -0.457 0.000 0.839 70 D CB -0.838 39.688 40.800 -0.457 0.000 0.948 70 D HN 0.675 nan 8.370 nan 0.000 0.460 71 A N 0.416 123.106 122.820 -0.217 0.000 1.883 71 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 71 A C 2.438 180.004 177.584 -0.030 0.000 1.186 71 A CA 1.999 54.000 52.037 -0.059 0.000 0.624 71 A CB -0.581 18.430 19.000 0.019 0.000 0.822 71 A HN 0.190 nan 8.150 nan 0.000 0.444 72 S N -0.331 115.340 115.700 -0.048 0.000 2.383 72 S HA -0.045 4.425 4.470 -0.000 0.000 0.227 72 S C 1.785 176.408 174.600 0.038 0.000 1.026 72 S CA 1.253 59.461 58.200 0.013 0.000 0.981 72 S CB -0.447 62.749 63.200 -0.006 0.000 0.818 72 S HN 0.536 nan 8.310 nan 0.000 0.472 73 I N 0.445 120.959 120.570 -0.094 0.000 2.142 73 I HA -0.206 3.964 4.170 -0.000 0.000 0.240 73 I C 2.058 178.240 176.117 0.108 0.000 1.078 73 I CA 1.327 62.585 61.300 -0.070 0.000 1.343 73 I CB -0.476 37.389 38.000 -0.225 0.000 1.046 73 I HN 0.246 nan 8.210 nan 0.000 0.405 74 Y N 0.939 121.273 120.300 0.056 0.000 2.165 74 Y HA -0.213 4.337 4.550 -0.000 0.000 0.286 74 Y C 2.660 178.595 175.900 0.059 0.000 1.155 74 Y CA 0.818 58.943 58.100 0.043 0.000 1.164 74 Y CB -1.373 37.089 38.460 0.003 0.000 0.978 74 Y HN 0.142 nan 8.280 nan 0.000 0.513 75 A N -0.733 122.219 122.820 0.221 0.000 1.929 75 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 75 A C 2.182 179.855 177.584 0.148 0.000 1.176 75 A CA 1.061 53.179 52.037 0.135 0.000 0.628 75 A CB -1.252 17.808 19.000 0.100 0.000 0.816 75 A HN 0.426 nan 8.150 nan 0.000 0.444 76 F N 0.691 120.691 119.950 0.083 0.000 2.075 76 F HA -0.139 4.388 4.527 -0.000 0.000 0.297 76 F C 1.936 177.820 175.800 0.139 0.000 1.113 76 F CA 1.817 59.907 58.000 0.150 0.000 1.218 76 F CB -0.187 38.877 39.000 0.106 0.000 0.984 76 F HN 0.136 nan 8.300 nan 0.000 0.472 77 L N -0.718 120.721 121.223 0.361 0.000 2.083 77 L HA -0.236 4.104 4.340 -0.000 0.000 0.209 77 L C 2.488 179.402 176.870 0.072 0.000 1.083 77 L CA 1.391 56.367 54.840 0.227 0.000 0.752 77 L CB -0.981 41.209 42.059 0.218 0.000 0.899 77 L HN 0.083 nan 8.230 nan 0.000 0.433 78 S N -0.358 115.372 115.700 0.050 0.000 2.382 78 S HA -0.213 4.257 4.470 -0.000 0.000 0.228 78 S C 1.936 176.475 174.600 -0.102 0.000 1.027 78 S CA 1.551 59.739 58.200 -0.020 0.000 0.991 78 S CB -0.226 62.962 63.200 -0.019 0.000 0.823 78 S HN 0.362 nan 8.310 nan 0.000 0.469 79 M N 1.361 120.845 119.600 -0.193 0.000 2.175 79 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 79 M C 1.896 177.927 176.300 -0.447 0.000 1.063 79 M CA 1.366 56.411 55.300 -0.425 0.000 1.119 79 M CB -0.127 32.006 32.600 -0.779 0.000 1.377 79 M HN 0.245 nan 8.290 nan 0.000 0.415 80 E N -0.179 119.856 120.200 -0.275 0.000 2.077 80 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 80 E C 2.041 178.589 176.600 -0.087 0.000 0.989 80 E CA 1.529 57.849 56.400 -0.134 0.000 0.800 80 E CB -0.182 29.513 29.700 -0.007 0.000 0.746 80 E HN 0.675 nan 8.360 nan 0.000 0.452 81 Q N 0.271 120.035 119.800 -0.059 0.000 2.050 81 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 81 Q C 2.274 178.257 176.000 -0.028 0.000 0.980 81 Q CA 1.408 57.197 55.803 -0.023 0.000 0.840 81 Q CB -0.208 28.524 28.738 -0.011 0.000 0.898 81 Q HN 0.232 nan 8.270 nan 0.000 0.424 82 A N 0.903 123.685 122.820 -0.064 0.000 1.902 82 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 82 A C 2.043 179.617 177.584 -0.016 0.000 1.181 82 A CA 1.209 53.225 52.037 -0.034 0.000 0.623 82 A CB -0.674 18.300 19.000 -0.042 0.000 0.818 82 A HN 0.314 nan 8.150 nan 0.000 0.443 83 I N -0.367 120.144 120.570 -0.099 0.000 2.179 83 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 83 I C 2.970 179.082 176.117 -0.008 0.000 1.088 83 I CA 1.158 62.397 61.300 -0.102 0.000 1.357 83 I CB -0.336 37.481 38.000 -0.304 0.000 1.051 83 I HN 0.372 nan 8.210 nan 0.000 0.409 84 A N 0.147 122.967 122.820 -0.000 0.000 1.898 84 A HA -0.273 4.047 4.320 -0.000 0.000 0.216 84 A C 1.982 179.595 177.584 0.048 0.000 1.181 84 A CA 2.145 54.202 52.037 0.034 0.000 0.620 84 A CB -0.661 18.358 19.000 0.032 0.000 0.819 84 A HN 0.426 nan 8.150 nan 0.000 0.442 85 D N -0.158 120.276 120.400 0.058 0.000 2.144 85 D HA -0.006 4.634 4.640 -0.000 0.000 0.199 85 D C 1.819 178.190 176.300 0.118 0.000 0.984 85 D CA 1.405 55.466 54.000 0.101 0.000 0.834 85 D CB -0.135 40.750 40.800 0.141 0.000 0.955 85 D HN 0.339 nan 8.370 nan 0.000 0.465 86 A N -0.737 122.139 122.820 0.094 0.000 2.208 86 A HA 0.392 4.712 4.320 -0.000 0.000 0.209 86 A C 1.773 179.399 177.584 0.070 0.000 1.161 86 A CA 0.960 53.047 52.037 0.084 0.000 0.782 86 A CB -0.562 18.466 19.000 0.047 0.000 0.816 86 A HN 0.429 nan 8.150 nan 0.000 0.477 87 G N -0.770 108.070 108.800 0.067 0.000 2.246 87 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.273 87 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.273 87 G C -0.089 174.862 174.900 0.085 0.000 1.055 87 G CA 0.381 45.519 45.100 0.064 0.000 0.851 87 G HN 0.461 nan 8.290 nan 0.000 0.500 88 L N 1.619 122.908 121.223 0.111 0.000 2.264 88 L HA 0.524 4.864 4.340 -0.000 0.000 0.289 88 L C 1.195 178.220 176.870 0.259 0.000 1.044 88 L CA -0.255 54.697 54.840 0.187 0.000 0.807 88 L CB 1.485 43.673 42.059 0.214 0.000 1.192 88 L HN 0.431 nan 8.230 nan 0.000 0.425 89 S N 2.673 118.503 115.700 0.217 0.000 2.652 89 S HA 0.401 4.871 4.470 -0.000 0.000 0.270 89 S C -1.968 172.719 174.600 0.145 0.000 1.243 89 S CA -1.247 57.054 58.200 0.169 0.000 0.999 89 S CB 1.434 64.682 63.200 0.080 0.000 0.973 89 S HN 0.350 nan 8.310 nan 0.000 0.544 90 P HA -0.099 nan 4.420 nan 0.000 0.216 90 P C 0.838 177.929 177.300 -0.348 0.000 1.153 90 P CA 1.289 64.203 63.100 -0.311 0.000 0.858 90 P CB -0.063 31.549 31.700 -0.147 0.000 0.789 91 E N -0.819 119.293 120.200 -0.146 0.000 2.401 91 E HA -0.069 4.281 4.350 -0.000 0.000 0.199 91 E C 1.872 178.428 176.600 -0.073 0.000 1.023 91 E CA 1.137 57.473 56.400 -0.107 0.000 0.859 91 E CB -0.867 28.803 29.700 -0.050 0.000 0.780 91 E HN 0.241 nan 8.360 nan 0.000 0.523 92 A N -0.232 122.571 122.820 -0.029 0.000 2.044 92 A HA 0.006 4.326 4.320 -0.000 0.000 0.213 92 A C 1.599 179.262 177.584 0.132 0.000 1.169 92 A CA 0.724 52.804 52.037 0.071 0.000 0.724 92 A CB -0.233 18.851 19.000 0.139 0.000 0.840 92 A HN 0.458 nan 8.150 nan 0.000 0.463 93 Y N -1.722 118.623 120.300 0.076 0.000 2.432 93 Y HA 0.457 5.007 4.550 -0.000 0.000 0.252 93 Y C 0.570 176.505 175.900 0.058 0.000 1.097 93 Y CA -0.690 57.474 58.100 0.106 0.000 1.250 93 Y CB -0.170 38.431 38.460 0.234 0.000 1.245 93 Y HN 0.153 nan 8.280 nan 0.000 0.522 94 Q N 1.914 121.390 119.800 -0.540 0.000 2.306 94 Q HA 0.206 4.546 4.340 -0.000 0.000 0.241 94 Q C -0.296 175.511 176.000 -0.322 0.000 0.948 94 Q CA -0.205 55.352 55.803 -0.410 0.000 0.886 94 Q CB 0.563 29.006 28.738 -0.492 0.000 1.227 94 Q HN 0.506 nan 8.270 nan 0.000 0.457 95 N N 1.173 119.568 118.700 -0.508 0.000 2.710 95 N HA -0.230 4.510 4.740 -0.000 0.000 0.249 95 N C -0.923 174.340 175.510 -0.410 0.000 1.059 95 N CA 0.089 52.599 53.050 -0.899 0.000 0.720 95 N CB -0.608 37.611 38.487 -0.446 0.000 0.983 95 N HN 0.429 nan 8.380 nan 0.000 0.544 96 N N -0.101 118.472 118.700 -0.211 0.000 2.483 96 N HA 0.277 5.017 4.740 -0.000 0.000 0.267 96 N C -2.117 173.445 175.510 0.087 0.000 0.998 96 N CA -2.214 50.830 53.050 -0.010 0.000 0.918 96 N CB 1.622 40.117 38.487 0.013 0.000 1.215 96 N HN -0.187 nan 8.380 nan 0.000 0.500 97 P HA 0.016 nan 4.420 nan 0.000 0.225 97 P C 0.748 178.087 177.300 0.064 0.000 1.148 97 P CA 0.819 63.991 63.100 0.119 0.000 0.779 97 P CB 0.418 32.175 31.700 0.094 0.000 0.780 98 R N -1.088 119.436 120.500 0.040 0.000 2.317 98 R HA 0.183 4.523 4.340 -0.000 0.000 0.208 98 R C -0.007 176.273 176.300 -0.032 0.000 0.914 98 R CA 0.126 56.224 56.100 -0.004 0.000 1.060 98 R CB -0.059 30.232 30.300 -0.016 0.000 1.015 98 R HN 0.140 nan 8.270 nan 0.000 0.498 99 V N 0.386 120.312 119.914 0.019 0.000 2.409 99 V HA 0.617 4.737 4.120 -0.000 0.000 0.291 99 V C 0.544 176.681 176.094 0.072 0.000 1.020 99 V CA -0.749 61.570 62.300 0.032 0.000 0.848 99 V CB 1.655 33.560 31.823 0.136 0.000 0.990 99 V HN 0.259 nan 8.190 nan 0.000 0.430 100 G N 3.255 112.068 108.800 0.022 0.000 3.108 100 G HA2 0.848 4.808 3.960 -0.000 0.000 0.268 100 G HA3 0.848 4.808 3.960 -0.000 0.000 0.268 100 G C -1.643 173.294 174.900 0.061 0.000 1.361 100 G CA -0.771 44.340 45.100 0.019 0.000 1.047 100 G HN 0.703 nan 8.290 nan 0.000 0.540 101 L N -0.474 120.730 121.223 -0.032 0.000 2.543 101 L HA 0.685 5.025 4.340 -0.000 0.000 0.265 101 L C -1.629 175.141 176.870 -0.165 0.000 0.945 101 L CA -0.652 54.175 54.840 -0.023 0.000 0.869 101 L CB 1.824 43.894 42.059 0.018 0.000 1.294 101 L HN 0.444 nan 8.230 nan 0.000 0.405 102 I N 5.174 125.662 120.570 -0.137 0.000 2.503 102 I HA 0.773 4.943 4.170 -0.000 0.000 0.282 102 I C -0.585 175.504 176.117 -0.047 0.000 1.059 102 I CA -0.305 60.902 61.300 -0.156 0.000 1.081 102 I CB 1.767 39.663 38.000 -0.173 0.000 1.210 102 I HN 0.682 nan 8.210 nan 0.000 0.450 103 A N 4.221 127.037 122.820 -0.007 0.000 2.589 103 A HA 0.968 5.288 4.320 -0.000 0.000 0.296 103 A C -0.729 176.882 177.584 0.045 0.000 1.062 103 A CA -0.392 51.654 52.037 0.014 0.000 0.686 103 A CB 1.911 20.912 19.000 0.002 0.000 1.282 103 A HN 0.771 nan 8.150 nan 0.000 0.404 104 G N -0.327 108.502 108.800 0.049 0.000 2.749 104 G HA2 0.835 4.795 3.960 -0.000 0.000 0.300 104 G HA3 0.835 4.795 3.960 -0.000 0.000 0.300 104 G C -0.510 174.422 174.900 0.053 0.000 1.352 104 G CA 0.238 45.375 45.100 0.062 0.000 0.789 104 G HN 1.902 nan 8.290 nan 0.000 0.509 105 S N -2.032 113.704 115.700 0.060 0.000 2.667 105 S HA 0.693 5.163 4.470 -0.000 0.000 0.292 105 S C 1.071 175.710 174.600 0.066 0.000 1.126 105 S CA 0.254 58.488 58.200 0.056 0.000 0.881 105 S CB 1.505 64.741 63.200 0.060 0.000 1.132 105 S HN 1.498 nan 8.310 nan 0.000 0.492 106 G N -0.314 108.527 108.800 0.067 0.000 2.408 106 G HA2 0.349 4.309 3.960 -0.000 0.000 0.215 106 G HA3 0.349 4.309 3.960 -0.000 0.000 0.215 106 G C 0.807 175.767 174.900 0.099 0.000 1.156 106 G CA 0.354 45.505 45.100 0.086 0.000 0.793 106 G HN 1.297 nan 8.290 nan 0.000 0.535 107 G N -1.234 107.624 108.800 0.097 0.000 4.110 107 G HA2 0.489 4.449 3.960 -0.000 0.000 0.292 107 G HA3 0.489 4.449 3.960 -0.000 0.000 0.292 107 G C 0.981 175.929 174.900 0.079 0.000 1.020 107 G CA 0.795 45.951 45.100 0.093 0.000 0.808 107 G HN 1.060 nan 8.290 nan 0.000 0.474 108 G N 0.610 109.454 108.800 0.074 0.000 2.677 108 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.321 108 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.321 108 G C 0.474 175.421 174.900 0.078 0.000 1.181 108 G CA 0.891 46.034 45.100 0.071 0.000 0.965 108 G HN 1.589 nan 8.290 nan 0.000 0.548 109 S N 1.316 117.072 115.700 0.094 0.000 2.461 109 S HA 0.641 5.111 4.470 -0.000 0.000 0.216 109 S C -1.464 173.197 174.600 0.102 0.000 1.201 109 S CA 0.070 58.344 58.200 0.123 0.000 1.171 109 S CB 1.858 65.189 63.200 0.217 0.000 1.169 109 S HN 0.240 nan 8.310 nan 0.000 0.456 110 P HA -0.085 nan 4.420 nan 0.000 0.216 110 P C 1.540 178.800 177.300 -0.066 0.000 1.150 110 P CA 0.679 63.770 63.100 -0.015 0.000 0.837 110 P CB 0.143 31.813 31.700 -0.050 0.000 0.786 111 R N -0.798 119.640 120.500 -0.103 0.000 2.080 111 R HA -0.135 4.205 4.340 -0.000 0.000 0.236 111 R C 1.926 178.114 176.300 -0.186 0.000 1.137 111 R CA 1.777 57.743 56.100 -0.223 0.000 0.943 111 R CB -1.000 29.113 30.300 -0.311 0.000 0.846 111 R HN 0.093 nan 8.270 nan 0.000 0.431 112 F N 0.579 120.549 119.950 0.033 0.000 2.407 112 F HA -0.012 4.515 4.527 -0.000 0.000 0.299 112 F C 2.590 178.492 175.800 0.170 0.000 1.097 112 F CA 0.997 59.069 58.000 0.119 0.000 1.422 112 F CB -0.071 38.954 39.000 0.041 0.000 1.067 112 F HN 0.218 nan 8.300 nan 0.000 0.539 113 Q N -0.067 119.864 119.800 0.218 0.000 2.083 113 Q HA -0.127 4.213 4.340 -0.000 0.000 0.198 113 Q C 2.241 178.299 176.000 0.097 0.000 0.969 113 Q CA 1.358 57.247 55.803 0.144 0.000 0.838 113 Q CB -0.010 28.781 28.738 0.087 0.000 0.900 113 Q HN 0.256 nan 8.270 nan 0.000 0.436 114 V N 0.446 120.392 119.914 0.054 0.000 2.379 114 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 114 V C 1.888 178.012 176.094 0.051 0.000 1.044 114 V CA 1.578 63.892 62.300 0.023 0.000 1.036 114 V CB -0.660 31.137 31.823 -0.043 0.000 0.664 114 V HN 0.426 nan 8.190 nan 0.000 0.453 115 F N 2.313 122.234 119.950 -0.047 0.000 2.091 115 F HA -0.140 4.387 4.527 -0.000 0.000 0.299 115 F C 2.157 177.978 175.800 0.035 0.000 1.103 115 F CA 1.899 59.881 58.000 -0.030 0.000 1.228 115 F CB -0.920 38.022 39.000 -0.097 0.000 0.984 115 F HN 0.137 nan 8.300 nan 0.000 0.477 116 G N -0.298 108.507 108.800 0.008 0.000 2.446 116 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 116 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 116 G C 1.817 176.634 174.900 -0.139 0.000 1.168 116 G CA 0.987 46.038 45.100 -0.082 0.000 0.771 116 G HN 0.662 nan 8.290 nan 0.000 0.551 117 A N 0.908 123.687 122.820 -0.067 0.000 1.898 117 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 117 A C 2.110 179.641 177.584 -0.089 0.000 1.181 117 A CA 2.110 54.114 52.037 -0.055 0.000 0.620 117 A CB -0.400 18.591 19.000 -0.014 0.000 0.819 117 A HN 0.281 nan 8.150 nan 0.000 0.442 118 D N 0.200 120.530 120.400 -0.116 0.000 2.097 118 D HA -0.060 4.580 4.640 -0.000 0.000 0.195 118 D C 2.279 178.473 176.300 -0.177 0.000 0.989 118 D CA 1.674 55.606 54.000 -0.113 0.000 0.827 118 D CB -0.532 40.216 40.800 -0.086 0.000 0.966 118 D HN 0.399 nan 8.370 nan 0.000 0.456 119 A N 0.687 123.301 122.820 -0.343 0.000 1.877 119 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 119 A C 2.159 179.634 177.584 -0.181 0.000 1.186 119 A CA 1.954 53.789 52.037 -0.337 0.000 0.620 119 A CB -0.618 18.014 19.000 -0.613 0.000 0.822 119 A HN 0.184 nan 8.150 nan 0.000 0.443 120 M N -0.132 119.375 119.600 -0.156 0.000 2.202 120 M HA -0.100 4.380 4.480 -0.000 0.000 0.262 120 M C 1.781 178.045 176.300 -0.062 0.000 1.063 120 M CA 1.536 56.784 55.300 -0.087 0.000 1.097 120 M CB -0.404 32.157 32.600 -0.064 0.000 1.382 120 M HN 0.366 nan 8.290 nan 0.000 0.413 121 R N -0.180 120.282 120.500 -0.063 0.000 2.310 121 R HA 0.219 4.559 4.340 -0.000 0.000 0.202 121 R C 1.031 177.308 176.300 -0.037 0.000 0.933 121 R CA 0.268 56.344 56.100 -0.040 0.000 1.054 121 R CB -0.277 30.004 30.300 -0.031 0.000 0.985 121 R HN 0.464 nan 8.270 nan 0.000 0.489 122 G N 1.074 109.844 108.800 -0.050 0.000 0.000 122 G HA2 0.135 4.095 3.960 -0.000 0.000 0.000 122 G HA3 0.135 4.095 3.960 -0.000 0.000 0.000 122 G C -1.493 173.391 174.900 -0.027 0.000 0.000 122 G CA -0.995 44.082 45.100 -0.038 0.000 0.000 122 G HN -0.074 nan 8.290 nan 0.000 0.000 123 P HA -0.037 nan 4.420 nan 0.000 0.226 123 P C 1.038 178.331 177.300 -0.011 0.000 1.153 123 P CA 0.759 63.852 63.100 -0.011 0.000 0.777 123 P CB 0.361 32.057 31.700 -0.006 0.000 0.794 124 R N -0.987 119.504 120.500 -0.015 0.000 2.308 124 R HA 0.229 4.569 4.340 -0.000 0.000 0.202 124 R C 1.689 177.978 176.300 -0.018 0.000 0.898 124 R CA 0.470 56.564 56.100 -0.011 0.000 1.046 124 R CB -0.224 30.074 30.300 -0.003 0.000 1.026 124 R HN 0.143 nan 8.270 nan 0.000 0.512 125 G N 2.272 111.055 108.800 -0.029 0.000 2.672 125 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.324 125 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.324 125 G C 0.886 175.765 174.900 -0.034 0.000 1.286 125 G CA 0.640 45.719 45.100 -0.034 0.000 1.004 125 G HN 0.213 nan 8.290 nan 0.000 0.548 126 L N 0.456 121.665 121.223 -0.024 0.000 2.129 126 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 126 L C 3.039 179.902 176.870 -0.012 0.000 1.087 126 L CA 2.297 57.126 54.840 -0.019 0.000 0.757 126 L CB -0.521 41.529 42.059 -0.016 0.000 0.896 126 L HN 0.535 nan 8.230 nan 0.000 0.434 127 K N -0.048 120.348 120.400 -0.007 0.000 2.097 127 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 127 K C 2.253 178.867 176.600 0.023 0.000 1.049 127 K CA 1.323 57.613 56.287 0.004 0.000 0.933 127 K CB -0.229 32.274 32.500 0.005 0.000 0.717 127 K HN 0.301 nan 8.250 nan 0.000 0.442 128 A N 1.034 123.860 122.820 0.010 0.000 1.929 128 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 128 A C 2.360 179.971 177.584 0.045 0.000 1.176 128 A CA 1.072 53.122 52.037 0.023 0.000 0.628 128 A CB -0.518 18.457 19.000 -0.041 0.000 0.816 128 A HN 0.048 nan 8.150 nan 0.000 0.444 129 V N -0.517 119.392 119.914 -0.009 0.000 2.287 129 V HA 0.139 4.259 4.120 -0.000 0.000 0.248 129 V C 1.657 177.862 176.094 0.186 0.000 1.053 129 V CA 1.324 63.646 62.300 0.036 0.000 1.027 129 V CB -1.937 29.885 31.823 -0.001 0.000 0.646 129 V HN 1.316 nan 8.190 nan 0.000 0.447 130 G N 0.318 109.170 108.800 0.088 0.000 2.795 130 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.664 130 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.664 130 G C -1.857 172.999 174.900 -0.073 0.000 1.381 130 G CA -0.077 45.046 45.100 0.039 0.000 0.853 130 G HN 0.333 nan 8.290 nan 0.000 0.545 131 P HA 0.289 nan 4.420 nan 0.000 0.263 131 P C -0.033 176.969 177.300 -0.496 0.000 1.448 131 P CA 0.421 63.279 63.100 -0.403 0.000 0.983 131 P CB 0.010 31.413 31.700 -0.495 0.000 1.481 132 Y N -1.567 118.693 120.300 -0.066 0.000 2.481 132 Y HA 0.124 4.674 4.550 -0.000 0.000 0.247 132 Y C 2.174 178.025 175.900 -0.081 0.000 1.151 132 Y CA -0.140 57.876 58.100 -0.141 0.000 1.238 132 Y CB -0.205 38.050 38.460 -0.341 0.000 1.179 132 Y HN -0.278 nan 8.280 nan 0.000 0.524 133 V N -1.164 118.823 119.914 0.121 0.000 2.427 133 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 133 V C 2.087 178.242 176.094 0.102 0.000 1.051 133 V CA 1.585 63.969 62.300 0.140 0.000 1.048 133 V CB -0.705 31.264 31.823 0.242 0.000 0.666 133 V HN 0.227 nan 8.190 nan 0.000 0.456 134 V N 1.271 121.242 119.914 0.095 0.000 2.255 134 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 134 V C 2.827 178.970 176.094 0.083 0.000 1.051 134 V CA 2.671 65.022 62.300 0.085 0.000 1.018 134 V CB -1.460 30.407 31.823 0.074 0.000 0.641 134 V HN 0.807 nan 8.190 nan 0.000 0.445 135 T N -1.883 112.740 114.554 0.115 0.000 2.962 135 T HA -0.178 4.172 4.350 -0.000 0.000 0.270 135 T C 1.716 176.440 174.700 0.039 0.000 1.088 135 T CA 1.351 63.517 62.100 0.110 0.000 1.127 135 T CB -0.264 68.743 68.868 0.232 0.000 0.883 135 T HN 0.489 nan 8.240 nan 0.000 0.493 136 K N 0.985 121.367 120.400 -0.029 0.000 2.137 136 K HA 0.354 4.674 4.320 -0.000 0.000 0.202 136 K C 2.602 179.190 176.600 -0.020 0.000 1.052 136 K CA 0.912 57.105 56.287 -0.156 0.000 0.961 136 K CB -0.104 32.073 32.500 -0.537 0.000 0.741 136 K HN 0.413 nan 8.250 nan 0.000 0.452 137 A N 1.744 124.597 122.820 0.055 0.000 2.095 137 A HA 0.105 4.425 4.320 -0.000 0.000 0.212 137 A C 1.166 178.797 177.584 0.078 0.000 1.162 137 A CA -0.177 51.923 52.037 0.104 0.000 0.753 137 A CB -0.352 18.734 19.000 0.143 0.000 0.840 137 A HN 0.302 nan 8.150 nan 0.000 0.468 138 M N -1.424 118.215 119.600 0.064 0.000 2.249 138 M HA 0.464 4.944 4.480 -0.000 0.000 0.340 138 M C 0.988 177.323 176.300 0.057 0.000 1.166 138 M CA 0.415 55.750 55.300 0.059 0.000 1.115 138 M CB 0.441 33.074 32.600 0.054 0.000 1.606 138 M HN 0.073 nan 8.290 nan 0.000 0.448 139 A N 2.460 125.314 122.820 0.057 0.000 1.948 139 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 139 A C 2.141 179.762 177.584 0.062 0.000 1.177 139 A CA 2.295 54.368 52.037 0.060 0.000 0.636 139 A CB -1.101 17.934 19.000 0.057 0.000 0.815 139 A HN 1.039 nan 8.150 nan 0.000 0.449 140 S N -0.701 115.036 115.700 0.062 0.000 2.650 140 S HA 0.249 4.719 4.470 -0.000 0.000 0.219 140 S C 1.719 176.355 174.600 0.060 0.000 0.960 140 S CA 0.701 58.942 58.200 0.069 0.000 0.925 140 S CB -0.578 62.667 63.200 0.074 0.000 0.775 140 S HN 0.667 nan 8.310 nan 0.000 0.525 141 G N 2.315 111.146 108.800 0.052 0.000 2.556 141 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 141 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 141 G C 1.335 176.262 174.900 0.045 0.000 1.156 141 G CA 1.320 46.445 45.100 0.041 0.000 0.766 141 G HN 0.488 nan 8.290 nan 0.000 0.583 142 V N 1.738 121.683 119.914 0.051 0.000 2.287 142 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 142 V C 3.293 179.426 176.094 0.065 0.000 1.053 142 V CA 2.625 64.960 62.300 0.059 0.000 1.027 142 V CB -0.649 31.207 31.823 0.056 0.000 0.646 142 V HN 0.657 nan 8.190 nan 0.000 0.447 143 S N 0.817 116.553 115.700 0.059 0.000 2.357 143 S HA -0.073 4.397 4.470 -0.000 0.000 0.221 143 S C 2.152 176.787 174.600 0.057 0.000 1.031 143 S CA 1.138 59.369 58.200 0.051 0.000 0.982 143 S CB -0.601 62.629 63.200 0.049 0.000 0.853 143 S HN 0.560 nan 8.310 nan 0.000 0.458 144 A N 0.947 123.799 122.820 0.053 0.000 1.908 144 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 144 A C 2.379 179.981 177.584 0.030 0.000 1.181 144 A CA 1.625 53.683 52.037 0.035 0.000 0.627 144 A CB -1.533 17.481 19.000 0.023 0.000 0.818 144 A HN 0.701 nan 8.150 nan 0.000 0.445 145 C N -1.236 118.092 119.300 0.047 0.000 2.491 145 C HA 0.173 4.633 4.460 -0.000 0.000 0.277 145 C C 2.232 177.317 174.990 0.158 0.000 1.455 145 C CA 0.651 59.703 59.018 0.056 0.000 1.758 145 C CB -1.336 26.431 27.740 0.045 0.000 1.745 145 C HN 0.531 nan 8.230 nan 0.000 0.558 146 L N 0.306 121.645 121.223 0.194 0.000 2.435 146 L HA 0.281 4.621 4.340 -0.000 0.000 0.195 146 L C 2.635 179.685 176.870 0.300 0.000 1.072 146 L CA 1.598 56.642 54.840 0.339 0.000 0.833 146 L CB -1.286 40.910 42.059 0.229 0.000 1.081 146 L HN 0.124 nan 8.230 nan 0.000 0.485 147 A N -0.837 122.075 122.820 0.154 0.000 1.940 147 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 147 A C 2.283 179.943 177.584 0.127 0.000 1.176 147 A CA 2.530 54.643 52.037 0.127 0.000 0.631 147 A CB -1.005 18.039 19.000 0.074 0.000 0.814 147 A HN 0.436 nan 8.150 nan 0.000 0.446 148 T N 0.239 114.840 114.554 0.079 0.000 2.698 148 T HA -0.056 4.294 4.350 -0.000 0.000 0.260 148 T C -0.029 174.684 174.700 0.021 0.000 1.044 148 T CA 1.566 63.682 62.100 0.028 0.000 1.149 148 T CB -1.035 67.801 68.868 -0.053 0.000 0.864 148 T HN 0.518 nan 8.240 nan 0.000 0.419 149 P HA -0.009 nan 4.420 nan 0.000 0.219 149 P C 0.863 178.081 177.300 -0.137 0.000 1.150 149 P CA 1.079 64.131 63.100 -0.080 0.000 0.814 149 P CB -0.277 31.377 31.700 -0.075 0.000 0.787 150 F N 0.460 120.440 119.950 0.050 0.000 2.804 150 F HA 0.131 4.658 4.527 -0.000 0.000 0.303 150 F C 0.860 176.695 175.800 0.058 0.000 1.154 150 F CA 0.060 58.088 58.000 0.046 0.000 1.401 150 F CB -0.268 38.682 39.000 -0.082 0.000 1.106 150 F HN -0.218 nan 8.300 nan 0.000 0.568 151 K N 0.484 120.968 120.400 0.140 0.000 3.150 151 K HA -0.199 4.121 4.320 -0.000 0.000 0.267 151 K C -0.450 176.192 176.600 0.070 0.000 1.028 151 K CA 0.343 56.666 56.287 0.060 0.000 0.753 151 K CB -2.294 30.168 32.500 -0.064 0.000 1.288 151 K HN 0.192 nan 8.250 nan 0.000 0.473 152 I N 1.109 121.781 120.570 0.170 0.000 2.496 152 I HA 0.047 4.217 4.170 -0.000 0.000 0.285 152 I C 1.935 178.218 176.117 0.277 0.000 1.080 152 I CA 0.245 61.656 61.300 0.185 0.000 1.404 152 I CB 0.405 38.502 38.000 0.161 0.000 1.403 152 I HN 0.253 nan 8.210 nan 0.000 0.539 153 H N 3.194 122.303 119.070 0.064 0.000 2.874 153 H HA 0.178 4.734 4.556 -0.000 0.000 0.264 153 H C 1.368 176.714 175.328 0.030 0.000 1.007 153 H CA 0.007 56.078 56.048 0.038 0.000 1.207 153 H CB 1.383 31.163 29.762 0.030 0.000 1.487 153 H HN 0.775 nan 8.280 nan 0.000 0.505 154 G N 1.079 109.968 108.800 0.149 0.000 2.735 154 G HA2 0.202 4.162 3.960 -0.000 0.000 0.192 154 G HA3 0.202 4.162 3.960 -0.000 0.000 0.192 154 G C 0.155 175.073 174.900 0.031 0.000 1.547 154 G CA 0.072 45.215 45.100 0.071 0.000 1.080 154 G HN 0.120 nan 8.290 nan 0.000 0.569 155 V N -0.646 119.257 119.914 -0.019 0.000 2.872 155 V HA 0.449 4.569 4.120 -0.000 0.000 0.307 155 V C -0.241 175.751 176.094 -0.169 0.000 1.072 155 V CA -0.317 61.931 62.300 -0.087 0.000 1.148 155 V CB 1.056 32.777 31.823 -0.170 0.000 0.954 155 V HN 0.752 nan 8.190 nan 0.000 0.490 156 N N 3.425 122.015 118.700 -0.184 0.000 2.599 156 N HA 0.548 5.288 4.740 -0.000 0.000 0.283 156 N C -1.178 174.318 175.510 -0.024 0.000 1.160 156 N CA -0.551 52.416 53.050 -0.138 0.000 0.869 156 N CB 1.256 39.743 38.487 -0.000 0.000 1.448 156 N HN 1.033 nan 8.380 nan 0.000 0.535 157 Y N -1.143 119.177 120.300 0.032 0.000 2.810 157 Y HA 0.597 5.147 4.550 -0.000 0.000 0.355 157 Y C -1.400 174.517 175.900 0.028 0.000 1.211 157 Y CA -1.224 56.893 58.100 0.027 0.000 1.112 157 Y CB 0.263 38.735 38.460 0.021 0.000 1.383 157 Y HN 0.146 nan 8.280 nan 0.000 0.458 158 S N 1.409 117.299 115.700 0.318 0.000 2.537 158 S HA 0.736 5.206 4.470 -0.000 0.000 0.301 158 S C -0.891 173.844 174.600 0.225 0.000 1.092 158 S CA -0.780 57.546 58.200 0.210 0.000 1.048 158 S CB 1.320 64.595 63.200 0.125 0.000 1.053 158 S HN 0.519 nan 8.310 nan 0.000 0.501 159 I N 1.737 122.414 120.570 0.178 0.000 2.404 159 I HA 0.453 4.623 4.170 -0.000 0.000 0.293 159 I C -0.189 175.994 176.117 0.110 0.000 0.992 159 I CA -0.302 61.080 61.300 0.138 0.000 1.149 159 I CB 1.977 40.072 38.000 0.158 0.000 1.315 159 I HN 0.462 nan 8.210 nan 0.000 0.446 160 S N 3.196 118.947 115.700 0.086 0.000 2.532 160 S HA 0.588 5.058 4.470 -0.000 0.000 0.299 160 S C -0.342 174.313 174.600 0.093 0.000 1.105 160 S CA -0.442 57.812 58.200 0.089 0.000 1.018 160 S CB 1.093 64.339 63.200 0.076 0.000 1.021 160 S HN 0.676 nan 8.310 nan 0.000 0.483 161 S N 2.803 118.581 115.700 0.130 0.000 2.612 161 S HA 0.633 5.103 4.470 -0.000 0.000 0.203 161 S C 0.546 175.236 174.600 0.151 0.000 0.965 161 S CA -0.002 58.291 58.200 0.155 0.000 1.157 161 S CB -0.102 63.258 63.200 0.266 0.000 1.526 161 S HN 1.819 nan 8.310 nan 0.000 0.423 162 A N 0.676 123.567 122.820 0.118 0.000 5.391 162 A HA -0.325 3.995 4.320 -0.000 0.000 0.315 162 A C 1.601 179.228 177.584 0.071 0.000 1.874 162 A CA 1.155 53.247 52.037 0.091 0.000 0.714 162 A CB -2.086 16.965 19.000 0.084 0.000 1.335 162 A HN 1.398 nan 8.150 nan 0.000 0.382 163 C N 0.438 119.768 119.300 0.049 0.000 2.511 163 C HA 0.423 4.883 4.460 -0.000 0.000 0.277 163 C C 2.526 177.572 174.990 0.095 0.000 1.451 163 C CA 0.984 60.075 59.018 0.122 0.000 1.735 163 C CB -1.789 26.091 27.740 0.233 0.000 1.704 163 C HN 1.299 nan 8.230 nan 0.000 0.571 164 A N -0.371 122.484 122.820 0.059 0.000 2.390 164 A HA 0.149 4.469 4.320 -0.000 0.000 0.232 164 A C 1.858 179.462 177.584 0.034 0.000 1.233 164 A CA 0.644 52.672 52.037 -0.015 0.000 0.907 164 A CB -0.513 18.468 19.000 -0.032 0.000 0.967 164 A HN 0.415 nan 8.150 nan 0.000 0.512 165 T N 1.610 116.222 114.554 0.097 0.000 2.531 165 T HA -0.280 4.070 4.350 -0.000 0.000 0.261 165 T C 2.264 177.008 174.700 0.073 0.000 1.141 165 T CA 2.785 64.952 62.100 0.112 0.000 1.176 165 T CB -0.560 68.353 68.868 0.075 0.000 0.863 165 T HN 0.806 nan 8.240 nan 0.000 0.424 166 S N 1.642 117.347 115.700 0.008 0.000 2.447 166 S HA 0.124 4.594 4.470 -0.000 0.000 0.233 166 S C 2.285 176.852 174.600 -0.055 0.000 1.006 166 S CA 0.842 59.028 58.200 -0.024 0.000 0.957 166 S CB -0.483 62.683 63.200 -0.058 0.000 0.773 166 S HN 0.582 nan 8.310 nan 0.000 0.507 167 A N 1.758 124.528 122.820 -0.082 0.000 1.897 167 A HA 0.006 4.326 4.320 -0.000 0.000 0.215 167 A C 1.931 179.451 177.584 -0.106 0.000 1.181 167 A CA 1.307 53.264 52.037 -0.134 0.000 0.620 167 A CB -0.996 17.881 19.000 -0.204 0.000 0.821 167 A HN 0.668 nan 8.150 nan 0.000 0.443 168 H N -1.671 117.422 119.070 0.038 0.000 2.423 168 H HA -0.113 4.443 4.556 -0.000 0.000 0.297 168 H C 2.175 177.495 175.328 -0.014 0.000 1.075 168 H CA 1.240 57.337 56.048 0.081 0.000 1.342 168 H CB -0.135 29.700 29.762 0.122 0.000 1.395 168 H HN 0.536 nan 8.280 nan 0.000 0.530 169 C N 0.201 119.555 119.300 0.091 0.000 2.432 169 C HA -0.136 4.324 4.460 -0.000 0.000 0.277 169 C C 2.675 177.622 174.990 -0.071 0.000 1.249 169 C CA 0.825 59.860 59.018 0.029 0.000 1.725 169 C CB -0.801 26.949 27.740 0.016 0.000 2.028 169 C HN 0.528 nan 8.230 nan 0.000 0.477 170 I N 1.045 121.539 120.570 -0.127 0.000 2.226 170 I HA -0.111 4.059 4.170 -0.000 0.000 0.245 170 I C 2.706 178.621 176.117 -0.337 0.000 1.100 170 I CA 1.782 62.965 61.300 -0.196 0.000 1.374 170 I CB -0.853 37.036 38.000 -0.185 0.000 1.057 170 I HN 0.449 nan 8.210 nan 0.000 0.413 171 G N 0.364 108.820 108.800 -0.573 0.000 2.418 171 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 171 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 171 G C 1.414 175.889 174.900 -0.707 0.000 1.158 171 G CA 1.096 45.365 45.100 -1.384 0.000 0.771 171 G HN 0.330 nan 8.290 nan 0.000 0.545 172 N N 0.510 119.054 118.700 -0.261 0.000 2.244 172 N HA 0.054 4.794 4.740 -0.000 0.000 0.183 172 N C 2.395 177.876 175.510 -0.048 0.000 1.016 172 N CA 1.219 54.257 53.050 -0.021 0.000 0.866 172 N CB -0.192 38.361 38.487 0.110 0.000 0.980 172 N HN 0.257 nan 8.380 nan 0.000 0.430 173 A N -0.169 122.584 122.820 -0.112 0.000 1.902 173 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 173 A C 2.293 179.807 177.584 -0.117 0.000 1.181 173 A CA 1.353 53.319 52.037 -0.118 0.000 0.623 173 A CB -0.854 18.059 19.000 -0.145 0.000 0.818 173 A HN 0.149 nan 8.150 nan 0.000 0.443 174 V N 0.178 120.001 119.914 -0.152 0.000 2.287 174 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 174 V C 2.408 178.472 176.094 -0.051 0.000 1.053 174 V CA 2.390 64.622 62.300 -0.114 0.000 1.027 174 V CB -0.922 30.815 31.823 -0.143 0.000 0.646 174 V HN 0.647 nan 8.190 nan 0.000 0.447 175 E N -0.577 119.609 120.200 -0.024 0.000 2.110 175 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 175 E C 2.415 179.027 176.600 0.019 0.000 0.988 175 E CA 1.125 57.546 56.400 0.035 0.000 0.804 175 E CB -0.163 29.590 29.700 0.089 0.000 0.745 175 E HN 0.541 nan 8.360 nan 0.000 0.458 176 Q N 0.305 120.107 119.800 0.003 0.000 2.096 176 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 176 Q C 2.277 178.264 176.000 -0.022 0.000 0.982 176 Q CA 1.150 56.952 55.803 -0.001 0.000 0.850 176 Q CB -0.181 28.545 28.738 -0.019 0.000 0.901 176 Q HN 0.428 nan 8.270 nan 0.000 0.422 177 I N 0.589 121.132 120.570 -0.044 0.000 2.252 177 I HA -0.276 3.893 4.170 -0.000 0.000 0.245 177 I C 2.374 178.475 176.117 -0.026 0.000 1.102 177 I CA 0.984 62.253 61.300 -0.052 0.000 1.385 177 I CB -0.286 37.669 38.000 -0.074 0.000 1.064 177 I HN 0.240 nan 8.210 nan 0.000 0.414 178 Q N 0.572 120.365 119.800 -0.012 0.000 2.170 178 Q HA -0.161 4.179 4.340 -0.000 0.000 0.203 178 Q C 2.207 178.211 176.000 0.007 0.000 0.976 178 Q CA 1.260 57.065 55.803 0.003 0.000 0.858 178 Q CB -0.104 28.645 28.738 0.019 0.000 0.907 178 Q HN 0.540 nan 8.270 nan 0.000 0.433 179 L N -0.639 120.589 121.223 0.008 0.000 2.552 179 L HA 0.034 4.374 4.340 -0.000 0.000 0.227 179 L C 1.223 178.097 176.870 0.006 0.000 1.146 179 L CA 0.477 55.324 54.840 0.011 0.000 0.858 179 L CB -0.255 41.815 42.059 0.019 0.000 0.969 179 L HN 0.447 nan 8.230 nan 0.000 0.451 180 G N 0.154 108.953 108.800 -0.003 0.000 2.155 180 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.257 180 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.257 180 G C 0.993 175.888 174.900 -0.007 0.000 0.983 180 G CA 0.618 45.714 45.100 -0.006 0.000 0.676 180 G HN 0.399 nan 8.290 nan 0.000 0.528 181 K N -0.813 119.583 120.400 -0.007 0.000 2.305 181 K HA 0.102 4.422 4.320 -0.000 0.000 0.199 181 K C 0.939 177.528 176.600 -0.018 0.000 1.047 181 K CA 0.795 57.081 56.287 -0.003 0.000 0.976 181 K CB 0.084 32.590 32.500 0.010 0.000 0.765 181 K HN 0.449 nan 8.250 nan 0.000 0.474 182 Q N -0.415 119.360 119.800 -0.042 0.000 2.416 182 Q HA 0.142 4.482 4.340 -0.000 0.000 0.281 182 Q C -0.557 175.369 176.000 -0.123 0.000 1.067 182 Q CA -0.382 55.376 55.803 -0.075 0.000 0.809 182 Q CB 1.997 30.686 28.738 -0.082 0.000 1.418 182 Q HN -0.062 nan 8.270 nan 0.000 0.411 183 D N 0.254 120.538 120.400 -0.193 0.000 2.323 183 D HA 0.269 4.909 4.640 -0.000 0.000 0.218 183 D C 0.295 176.359 176.300 -0.395 0.000 0.973 183 D CA 0.859 54.654 54.000 -0.340 0.000 0.890 183 D CB 1.284 41.732 40.800 -0.586 0.000 1.011 183 D HN 0.363 nan 8.370 nan 0.000 0.499 184 I N 0.689 121.053 120.570 -0.343 0.000 2.619 184 I HA 0.273 4.443 4.170 -0.000 0.000 0.292 184 I C -1.200 174.711 176.117 -0.344 0.000 1.100 184 I CA -0.776 60.300 61.300 -0.374 0.000 1.043 184 I CB 3.345 41.093 38.000 -0.420 0.000 1.239 184 I HN -0.408 nan 8.210 nan 0.000 0.420 185 V N 5.758 125.432 119.914 -0.399 0.000 2.612 185 V HA 0.373 4.493 4.120 -0.000 0.000 0.301 185 V C -0.753 175.109 176.094 -0.387 0.000 1.059 185 V CA -0.590 61.526 62.300 -0.307 0.000 0.886 185 V CB 1.749 33.456 31.823 -0.193 0.000 1.007 185 V HN 0.382 nan 8.190 nan 0.000 0.426 186 F N 3.421 123.260 119.950 -0.186 0.000 2.438 186 F HA 0.681 5.208 4.527 -0.000 0.000 0.356 186 F C 0.758 176.447 175.800 -0.184 0.000 1.099 186 F CA 0.058 57.929 58.000 -0.215 0.000 1.185 186 F CB 1.105 39.930 39.000 -0.290 0.000 1.115 186 F HN 0.582 nan 8.300 nan 0.000 0.526 187 A N 2.433 125.231 122.820 -0.036 0.000 2.414 187 A HA 0.942 5.262 4.320 -0.000 0.000 0.306 187 A C -0.008 177.538 177.584 -0.063 0.000 1.054 187 A CA 0.089 52.088 52.037 -0.063 0.000 0.724 187 A CB 1.521 20.458 19.000 -0.105 0.000 1.267 187 A HN 1.053 nan 8.150 nan 0.000 0.418 188 G N -0.328 108.440 108.800 -0.053 0.000 2.564 188 G HA2 0.719 4.679 3.960 -0.000 0.000 0.139 188 G HA3 0.719 4.679 3.960 -0.000 0.000 0.139 188 G C -0.062 174.820 174.900 -0.031 0.000 1.147 188 G CA 0.506 45.572 45.100 -0.057 0.000 1.031 188 G HN 2.445 nan 8.290 nan 0.000 0.482 189 G N -2.109 106.676 108.800 -0.025 0.000 2.320 189 G HA2 0.788 4.748 3.960 -0.000 0.000 0.296 189 G HA3 0.788 4.748 3.960 -0.000 0.000 0.296 189 G C -0.495 174.416 174.900 0.018 0.000 1.306 189 G CA 0.766 45.867 45.100 0.002 0.000 0.836 189 G HN 2.150 nan 8.290 nan 0.000 0.517 190 G N -1.317 107.509 108.800 0.044 0.000 2.660 190 G HA2 0.703 4.663 3.960 -0.000 0.000 0.290 190 G HA3 0.703 4.663 3.960 -0.000 0.000 0.290 190 G C -1.936 173.017 174.900 0.088 0.000 1.432 190 G CA -0.229 44.926 45.100 0.091 0.000 0.807 190 G HN 0.756 nan 8.290 nan 0.000 0.485 191 E N -0.311 119.976 120.200 0.144 0.000 2.321 191 E HA 0.352 4.702 4.350 -0.000 0.000 0.281 191 E C -0.224 176.489 176.600 0.188 0.000 0.910 191 E CA -0.665 55.802 56.400 0.111 0.000 0.770 191 E CB 1.494 31.218 29.700 0.040 0.000 1.225 191 E HN 0.712 nan 8.360 nan 0.000 0.417 192 E N 2.950 123.223 120.200 0.121 0.000 2.369 192 E HA 0.412 4.762 4.350 -0.000 0.000 0.255 192 E C -0.738 175.926 176.600 0.106 0.000 1.172 192 E CA -0.814 55.655 56.400 0.115 0.000 0.932 192 E CB 1.125 30.842 29.700 0.030 0.000 1.040 192 E HN 0.244 nan 8.360 nan 0.000 0.454 193 L N 1.946 123.211 121.223 0.071 0.000 2.372 193 L HA 0.456 4.796 4.340 -0.000 0.000 0.274 193 L C -1.346 175.566 176.870 0.070 0.000 0.988 193 L CA -0.303 54.544 54.840 0.012 0.000 0.833 193 L CB 0.946 42.870 42.059 -0.226 0.000 1.236 193 L HN 0.946 nan 8.230 nan 0.000 0.410 194 C N 1.974 121.379 119.300 0.175 0.000 3.307 194 C HA 0.445 4.905 4.460 -0.000 0.000 0.333 194 C C 1.072 176.175 174.990 0.189 0.000 1.291 194 C CA -0.898 58.234 59.018 0.189 0.000 1.273 194 C CB 0.656 28.369 27.740 -0.044 0.000 1.580 194 C HN 1.048 nan 8.230 nan 0.000 0.481 195 W N 0.849 122.266 121.300 0.196 0.000 2.402 195 W HA 0.022 4.682 4.660 -0.000 0.000 0.286 195 W C 1.056 177.646 176.519 0.119 0.000 1.221 195 W CA 1.849 59.273 57.345 0.131 0.000 1.257 195 W CB -1.115 28.382 29.460 0.061 0.000 1.120 195 W HN 0.879 nan 8.180 nan 0.000 0.551 196 E N 0.748 120.258 120.200 -1.150 0.000 2.130 196 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 196 E C 2.325 178.735 176.600 -0.317 0.000 0.998 196 E CA 2.714 58.469 56.400 -1.074 0.000 0.806 196 E CB -0.595 28.543 29.700 -0.936 0.000 0.738 196 E HN 0.392 nan 8.360 nan 0.000 0.459 197 M N -0.921 118.610 119.600 -0.116 0.000 2.556 197 M HA 0.151 4.631 4.480 -0.000 0.000 0.264 197 M C 2.054 178.506 176.300 0.254 0.000 1.163 197 M CA 1.013 56.360 55.300 0.078 0.000 1.186 197 M CB 0.180 32.864 32.600 0.140 0.000 1.321 197 M HN 0.154 nan 8.290 nan 0.000 0.485 198 A N 0.659 123.649 122.820 0.284 0.000 1.902 198 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 198 A C 2.339 180.119 177.584 0.326 0.000 1.181 198 A CA 1.804 54.062 52.037 0.369 0.000 0.623 198 A CB -1.736 17.450 19.000 0.309 0.000 0.818 198 A HN 0.870 nan 8.150 nan 0.000 0.443 199 C N -0.704 118.764 119.300 0.279 0.000 2.411 199 C HA -0.095 4.365 4.460 -0.000 0.000 0.279 199 C C 2.187 177.281 174.990 0.174 0.000 1.288 199 C CA 1.296 60.461 59.018 0.244 0.000 1.764 199 C CB -1.517 26.416 27.740 0.322 0.000 1.974 199 C HN 0.590 nan 8.230 nan 0.000 0.498 200 E N 0.626 120.897 120.200 0.120 0.000 2.150 200 E HA 0.003 4.353 4.350 -0.000 0.000 0.193 200 E C 1.731 178.317 176.600 -0.023 0.000 0.985 200 E CA 1.291 57.690 56.400 -0.002 0.000 0.814 200 E CB -0.427 29.197 29.700 -0.127 0.000 0.752 200 E HN 0.780 nan 8.360 nan 0.000 0.466 201 F N 0.548 120.591 119.950 0.154 0.000 2.234 201 F HA -0.078 4.449 4.527 -0.000 0.000 0.296 201 F C 2.121 177.975 175.800 0.090 0.000 1.089 201 F CA 1.038 59.141 58.000 0.171 0.000 1.343 201 F CB -0.131 38.973 39.000 0.173 0.000 1.040 201 F HN 0.005 nan 8.300 nan 0.000 0.498 202 D N 0.222 120.761 120.400 0.232 0.000 2.144 202 D HA -0.116 4.524 4.640 -0.000 0.000 0.200 202 D C 2.241 178.606 176.300 0.108 0.000 0.978 202 D CA 1.137 55.214 54.000 0.128 0.000 0.833 202 D CB -0.160 40.706 40.800 0.111 0.000 0.961 202 D HN 0.170 nan 8.370 nan 0.000 0.470 203 A N 0.695 123.579 122.820 0.107 0.000 2.070 203 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 203 A C 2.171 179.797 177.584 0.070 0.000 1.159 203 A CA 1.657 53.740 52.037 0.076 0.000 0.656 203 A CB -0.690 18.348 19.000 0.063 0.000 0.800 203 A HN 0.509 nan 8.150 nan 0.000 0.453 204 M N -3.323 116.335 119.600 0.096 0.000 2.383 204 M HA 0.464 4.944 4.480 -0.000 0.000 0.247 204 M C 1.016 177.383 176.300 0.112 0.000 1.117 204 M CA 0.610 55.967 55.300 0.095 0.000 0.995 204 M CB 0.123 32.787 32.600 0.107 0.000 1.480 204 M HN 0.570 nan 8.290 nan 0.000 0.485 205 G N 1.096 109.961 108.800 0.108 0.000 2.176 205 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.252 205 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.252 205 G C 0.737 175.707 174.900 0.116 0.000 1.024 205 G CA 0.393 45.547 45.100 0.090 0.000 0.755 205 G HN 0.768 nan 8.290 nan 0.000 0.507 206 A N -0.990 121.933 122.820 0.172 0.000 2.132 206 A HA 0.643 4.963 4.320 -0.000 0.000 0.213 206 A C 1.275 178.832 177.584 -0.046 0.000 1.154 206 A CA 0.672 52.840 52.037 0.219 0.000 0.753 206 A CB 0.151 19.472 19.000 0.534 0.000 0.826 206 A HN 0.635 nan 8.150 nan 0.000 0.469 207 L N -0.040 121.090 121.223 -0.156 0.000 2.360 207 L HA 0.338 4.678 4.340 -0.000 0.000 0.271 207 L C 0.732 177.531 176.870 -0.118 0.000 1.057 207 L CA -0.574 54.075 54.840 -0.318 0.000 0.803 207 L CB 1.534 43.426 42.059 -0.277 0.000 1.207 207 L HN 0.154 nan 8.230 nan 0.000 0.445 208 S N 0.113 115.758 115.700 -0.092 0.000 2.533 208 S HA 0.137 4.607 4.470 -0.000 0.000 0.282 208 S C 0.749 175.354 174.600 0.008 0.000 1.304 208 S CA 0.132 58.349 58.200 0.028 0.000 1.063 208 S CB 0.390 63.642 63.200 0.086 0.000 0.881 208 S HN 0.821 nan 8.310 nan 0.000 0.493 209 T N 1.488 116.047 114.554 0.008 0.000 3.041 209 T HA 0.333 4.683 4.350 -0.000 0.000 0.276 209 T C 0.835 175.469 174.700 -0.110 0.000 0.948 209 T CA -0.442 61.613 62.100 -0.075 0.000 0.885 209 T CB -0.067 68.748 68.868 -0.088 0.000 1.175 209 T HN 0.600 nan 8.240 nan 0.000 0.529 210 K N 0.308 120.636 120.400 -0.119 0.000 2.404 210 K HA 0.225 4.545 4.320 -0.000 0.000 0.194 210 K C -0.311 175.950 176.600 -0.566 0.000 1.023 210 K CA 0.322 56.394 56.287 -0.359 0.000 1.094 210 K CB 0.156 32.357 32.500 -0.498 0.000 0.841 210 K HN 0.472 nan 8.250 nan 0.000 0.523 211 Y N -0.064 120.228 120.300 -0.014 0.000 2.716 211 Y HA 0.203 4.753 4.550 -0.000 0.000 0.260 211 Y C 0.887 176.800 175.900 0.022 0.000 1.141 211 Y CA -0.675 57.428 58.100 0.005 0.000 1.168 211 Y CB 0.066 38.536 38.460 0.017 0.000 1.189 211 Y HN -0.002 nan 8.280 nan 0.000 0.549 212 N N 0.681 119.435 118.700 0.090 0.000 2.205 212 N HA -0.170 4.570 4.740 -0.000 0.000 0.186 212 N C 0.908 176.517 175.510 0.164 0.000 1.015 212 N CA 1.508 54.646 53.050 0.148 0.000 0.862 212 N CB 0.006 38.554 38.487 0.101 0.000 0.986 212 N HN 0.485 nan 8.380 nan 0.000 0.429 213 D N -0.003 120.446 120.400 0.082 0.000 2.312 213 D HA -0.042 4.598 4.640 -0.000 0.000 0.211 213 D C 0.496 176.830 176.300 0.057 0.000 0.964 213 D CA 0.896 54.916 54.000 0.034 0.000 0.877 213 D CB 0.076 40.878 40.800 0.003 0.000 0.924 213 D HN 0.351 nan 8.370 nan 0.000 0.515 214 T N -2.266 112.356 114.554 0.114 0.000 3.418 214 T HA 0.317 4.667 4.350 -0.000 0.000 0.315 214 T C -2.364 172.416 174.700 0.134 0.000 1.447 214 T CA -1.613 60.555 62.100 0.113 0.000 1.641 214 T CB 1.836 70.777 68.868 0.122 0.000 0.904 214 T HN -0.300 nan 8.240 nan 0.000 0.640 215 P HA -0.185 nan 4.420 nan 0.000 0.217 215 P C 1.382 178.738 177.300 0.093 0.000 1.158 215 P CA 1.399 64.585 63.100 0.144 0.000 0.887 215 P CB 0.126 31.933 31.700 0.178 0.000 0.792 216 E N -0.844 119.398 120.200 0.070 0.000 2.409 216 E HA -0.129 4.221 4.350 -0.000 0.000 0.198 216 E C 1.160 177.757 176.600 -0.006 0.000 1.024 216 E CA 0.667 57.088 56.400 0.035 0.000 0.861 216 E CB -0.167 29.551 29.700 0.030 0.000 0.788 216 E HN 0.312 nan 8.360 nan 0.000 0.521 217 K N -0.375 120.013 120.400 -0.020 0.000 2.358 217 K HA 0.224 4.544 4.320 -0.000 0.000 0.200 217 K C 1.566 177.984 176.600 -0.302 0.000 1.030 217 K CA 0.289 56.502 56.287 -0.122 0.000 1.097 217 K CB 0.646 33.097 32.500 -0.083 0.000 0.862 217 K HN 0.005 nan 8.250 nan 0.000 0.534 218 A N 1.421 124.150 122.820 -0.151 0.000 1.858 218 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 218 A C 1.492 178.973 177.584 -0.172 0.000 1.190 218 A CA 1.249 53.198 52.037 -0.147 0.000 0.617 218 A CB -0.311 18.727 19.000 0.064 0.000 0.827 218 A HN 0.192 nan 8.150 nan 0.000 0.443 219 S N 0.688 116.337 115.700 -0.084 0.000 2.422 219 S HA 0.405 4.875 4.470 -0.000 0.000 0.283 219 S C 0.226 174.764 174.600 -0.104 0.000 1.163 219 S CA -0.579 57.587 58.200 -0.058 0.000 1.054 219 S CB -0.180 63.016 63.200 -0.007 0.000 0.967 219 S HN 0.476 nan 8.310 nan 0.000 0.499 220 R N 2.868 123.297 120.500 -0.118 0.000 2.655 220 R HA 0.198 4.538 4.340 -0.000 0.000 0.261 220 R C -0.812 175.430 176.300 -0.097 0.000 1.624 220 R CA -0.642 55.392 56.100 -0.110 0.000 1.655 220 R CB -0.832 29.373 30.300 -0.157 0.000 1.356 220 R HN 0.409 nan 8.270 nan 0.000 0.684 221 T N 2.305 116.761 114.554 -0.162 0.000 2.866 221 T HA -0.059 4.291 4.350 -0.000 0.000 0.293 221 T C -0.025 174.490 174.700 -0.308 0.000 1.005 221 T CA 0.926 62.803 62.100 -0.370 0.000 1.162 221 T CB -0.121 68.396 68.868 -0.585 0.000 0.968 221 T HN 0.565 nan 8.240 nan 0.000 0.530 222 Y N -1.155 119.166 120.300 0.034 0.000 4.894 222 Y HA -0.208 4.342 4.550 -0.000 0.000 0.270 222 Y C 0.700 176.623 175.900 0.038 0.000 0.930 222 Y CA 0.440 58.561 58.100 0.036 0.000 1.814 222 Y CB -2.231 36.248 38.460 0.032 0.000 1.235 222 Y HN 0.769 nan 8.280 nan 0.000 0.480 223 D N 0.610 121.090 120.400 0.134 0.000 2.350 223 D HA 0.558 5.198 4.640 -0.000 0.000 0.249 223 D C 1.282 177.657 176.300 0.125 0.000 1.119 223 D CA 0.782 54.857 54.000 0.124 0.000 0.886 223 D CB 1.294 42.144 40.800 0.083 0.000 1.195 223 D HN 0.277 nan 8.370 nan 0.000 0.437 224 A N 3.298 126.200 122.820 0.136 0.000 2.076 224 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 224 A C 1.122 178.659 177.584 -0.080 0.000 1.160 224 A CA 1.419 53.477 52.037 0.035 0.000 0.653 224 A CB -0.554 18.453 19.000 0.013 0.000 0.801 224 A HN 0.765 nan 8.150 nan 0.000 0.455 225 H N -0.444 118.682 119.070 0.093 0.000 2.487 225 H HA 0.192 4.748 4.556 -0.000 0.000 0.290 225 H C 0.584 176.017 175.328 0.176 0.000 1.081 225 H CA -0.216 55.916 56.048 0.140 0.000 1.116 225 H CB -0.010 29.865 29.762 0.188 0.000 1.560 225 H HN 0.622 nan 8.280 nan 0.000 0.548 226 R N 1.238 121.839 120.500 0.168 0.000 2.734 226 R HA 0.059 4.399 4.340 -0.000 0.000 0.266 226 R C -0.467 175.931 176.300 0.163 0.000 1.044 226 R CA 0.324 56.497 56.100 0.122 0.000 1.128 226 R CB 0.468 30.800 30.300 0.053 0.000 1.010 226 R HN 0.213 nan 8.270 nan 0.000 0.461 227 D N 0.032 120.539 120.400 0.177 0.000 2.914 227 D HA 0.229 4.869 4.640 -0.000 0.000 0.349 227 D C -0.021 176.347 176.300 0.113 0.000 1.540 227 D CA 0.031 54.123 54.000 0.154 0.000 0.778 227 D CB 0.363 41.275 40.800 0.187 0.000 1.213 227 D HN 0.927 nan 8.370 nan 0.000 0.451 228 G N 0.387 109.251 108.800 0.107 0.000 2.406 228 G HA2 0.234 4.194 3.960 -0.000 0.000 0.680 228 G HA3 0.234 4.194 3.960 -0.000 0.000 0.680 228 G C -0.601 174.362 174.900 0.106 0.000 1.338 228 G CA -0.702 44.458 45.100 0.100 0.000 0.941 228 G HN 0.352 nan 8.290 nan 0.000 0.633 229 F N -0.456 119.508 119.950 0.023 0.000 2.370 229 F HA 0.813 5.340 4.527 -0.000 0.000 0.319 229 F C 0.252 176.062 175.800 0.016 0.000 1.129 229 F CA -1.384 56.608 58.000 -0.013 0.000 1.109 229 F CB 1.314 40.273 39.000 -0.068 0.000 1.262 229 F HN 0.397 nan 8.300 nan 0.000 0.534 230 V N 4.262 124.297 119.914 0.201 0.000 2.347 230 V HA 0.250 4.370 4.120 -0.000 0.000 0.280 230 V C 0.228 176.475 176.094 0.254 0.000 1.021 230 V CA -0.852 61.509 62.300 0.102 0.000 0.847 230 V CB 1.053 32.946 31.823 0.116 0.000 0.990 230 V HN 0.843 nan 8.190 nan 0.000 0.444 231 I N 4.758 125.409 120.570 0.135 0.000 2.692 231 I HA 0.483 4.653 4.170 -0.000 0.000 0.284 231 I C 0.528 176.762 176.117 0.195 0.000 1.159 231 I CA 0.558 62.005 61.300 0.245 0.000 1.423 231 I CB 0.784 38.872 38.000 0.148 0.000 1.380 231 I HN 0.801 nan 8.210 nan 0.000 0.580 232 A N 4.956 127.836 122.820 0.101 0.000 2.530 232 A HA 0.921 5.241 4.320 -0.000 0.000 0.288 232 A C -0.560 176.981 177.584 -0.070 0.000 1.172 232 A CA -0.112 51.921 52.037 -0.008 0.000 0.733 232 A CB 1.408 20.393 19.000 -0.025 0.000 1.320 232 A HN 0.827 nan 8.150 nan 0.000 0.419 233 G N -2.026 106.688 108.800 -0.143 0.000 2.798 233 G HA2 0.912 4.872 3.960 -0.000 0.000 0.286 233 G HA3 0.912 4.872 3.960 -0.000 0.000 0.286 233 G C -0.088 174.663 174.900 -0.248 0.000 1.389 233 G CA -0.202 44.829 45.100 -0.116 0.000 0.894 233 G HN 2.314 nan 8.290 nan 0.000 0.488 234 G N -2.125 106.515 108.800 -0.266 0.000 2.302 234 G HA2 0.614 4.574 3.960 -0.000 0.000 0.276 234 G HA3 0.614 4.574 3.960 -0.000 0.000 0.276 234 G C -0.287 174.546 174.900 -0.111 0.000 1.316 234 G CA 0.233 45.015 45.100 -0.530 0.000 0.988 234 G HN 2.030 nan 8.290 nan 0.000 0.479 235 G N -1.874 106.862 108.800 -0.106 0.000 2.682 235 G HA2 1.017 4.977 3.960 -0.000 0.000 0.290 235 G HA3 1.017 4.977 3.960 -0.000 0.000 0.290 235 G C -0.368 174.499 174.900 -0.055 0.000 1.425 235 G CA 0.345 45.450 45.100 0.009 0.000 0.807 235 G HN 2.142 nan 8.290 nan 0.000 0.482 236 G N -0.669 108.100 108.800 -0.053 0.000 2.702 236 G HA2 0.610 4.570 3.960 -0.000 0.000 0.296 236 G HA3 0.610 4.570 3.960 -0.000 0.000 0.296 236 G C -1.367 173.484 174.900 -0.083 0.000 1.463 236 G CA -0.595 44.448 45.100 -0.094 0.000 0.890 236 G HN 0.566 nan 8.290 nan 0.000 0.534 237 M N 0.864 120.407 119.600 -0.094 0.000 2.413 237 M HA 0.524 5.004 4.480 -0.000 0.000 0.287 237 M C -0.392 175.852 176.300 -0.093 0.000 1.186 237 M CA -0.860 54.389 55.300 -0.085 0.000 0.927 237 M CB 1.469 34.015 32.600 -0.089 0.000 1.715 237 M HN 0.989 nan 8.290 nan 0.000 0.478 238 V N 0.190 120.049 119.914 -0.091 0.000 2.914 238 V HA 0.852 4.972 4.120 -0.000 0.000 0.314 238 V C -0.639 175.385 176.094 -0.118 0.000 1.084 238 V CA -0.885 61.347 62.300 -0.112 0.000 0.963 238 V CB 2.057 33.794 31.823 -0.143 0.000 1.025 238 V HN 0.542 nan 8.190 nan 0.000 0.432 239 V N 3.689 123.520 119.914 -0.139 0.000 2.320 239 V HA 0.313 4.433 4.120 -0.000 0.000 0.265 239 V C 0.162 176.115 176.094 -0.236 0.000 1.048 239 V CA -0.337 61.804 62.300 -0.266 0.000 0.865 239 V CB 1.013 32.696 31.823 -0.234 0.000 1.043 239 V HN 0.727 nan 8.190 nan 0.000 0.474 240 V N 5.171 124.919 119.914 -0.276 0.000 2.408 240 V HA 0.422 4.542 4.120 -0.000 0.000 0.267 240 V C 0.149 176.102 176.094 -0.234 0.000 1.047 240 V CA -0.184 61.989 62.300 -0.212 0.000 0.937 240 V CB 1.082 32.788 31.823 -0.194 0.000 0.999 240 V HN 0.949 nan 8.190 nan 0.000 0.472 241 E N 2.780 122.878 120.200 -0.171 0.000 2.340 241 E HA 0.338 4.688 4.350 -0.000 0.000 0.273 241 E C -0.789 175.751 176.600 -0.100 0.000 0.891 241 E CA -0.776 55.527 56.400 -0.161 0.000 0.757 241 E CB 1.851 31.475 29.700 -0.126 0.000 1.231 241 E HN 0.682 nan 8.360 nan 0.000 0.439 242 E N 3.574 123.715 120.200 -0.098 0.000 2.384 242 E HA -0.027 4.323 4.350 -0.000 0.000 0.266 242 E C 0.849 177.454 176.600 0.009 0.000 1.012 242 E CA -0.108 56.267 56.400 -0.041 0.000 0.901 242 E CB 1.113 30.790 29.700 -0.038 0.000 0.967 242 E HN 0.614 nan 8.360 nan 0.000 0.435 243 L N 5.824 127.047 121.223 0.001 0.000 1.963 243 L HA -0.265 4.075 4.340 -0.000 0.000 0.220 243 L C 1.907 178.789 176.870 0.020 0.000 1.076 243 L CA 2.046 56.888 54.840 0.004 0.000 0.772 243 L CB -0.489 41.568 42.059 -0.003 0.000 0.892 243 L HN 0.575 nan 8.230 nan 0.000 0.435 244 E N -0.983 119.234 120.200 0.028 0.000 2.085 244 E HA -0.285 4.065 4.350 -0.000 0.000 0.194 244 E C 2.247 178.869 176.600 0.037 0.000 0.994 244 E CA 1.558 57.973 56.400 0.025 0.000 0.801 244 E CB -0.774 28.940 29.700 0.025 0.000 0.743 244 E HN 0.696 nan 8.360 nan 0.000 0.453 245 H N 0.514 119.567 119.070 -0.027 0.000 2.353 245 H HA -0.040 4.516 4.556 -0.000 0.000 0.300 245 H C 1.868 177.178 175.328 -0.031 0.000 1.090 245 H CA 1.754 57.785 56.048 -0.028 0.000 1.327 245 H CB 0.165 29.907 29.762 -0.034 0.000 1.383 245 H HN 0.133 nan 8.280 nan 0.000 0.508 246 A N 1.115 124.004 122.820 0.116 0.000 1.873 246 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 246 A C 2.898 180.475 177.584 -0.012 0.000 1.186 246 A CA 1.201 53.268 52.037 0.050 0.000 0.616 246 A CB -0.865 18.147 19.000 0.020 0.000 0.823 246 A HN 0.400 nan 8.150 nan 0.000 0.442 247 L N -0.662 120.550 121.223 -0.018 0.000 2.046 247 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 247 L C 3.073 179.917 176.870 -0.044 0.000 1.077 247 L CA 1.082 55.905 54.840 -0.029 0.000 0.747 247 L CB -0.602 41.443 42.059 -0.023 0.000 0.896 247 L HN 0.431 nan 8.230 nan 0.000 0.432 248 A N 0.920 123.701 122.820 -0.065 0.000 2.024 248 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 248 A C 2.182 179.706 177.584 -0.100 0.000 1.164 248 A CA 1.819 53.803 52.037 -0.089 0.000 0.643 248 A CB -0.563 18.360 19.000 -0.128 0.000 0.806 248 A HN 0.603 nan 8.150 nan 0.000 0.451 249 R N -1.189 119.245 120.500 -0.110 0.000 2.427 249 R HA 0.364 4.704 4.340 -0.000 0.000 0.262 249 R C 0.856 177.133 176.300 -0.039 0.000 0.943 249 R CA 0.499 56.549 56.100 -0.084 0.000 1.081 249 R CB -0.769 29.471 30.300 -0.100 0.000 1.166 249 R HN 0.657 nan 8.270 nan 0.000 0.534 250 G N 0.946 109.725 108.800 -0.034 0.000 2.356 250 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.296 250 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.296 250 G C 0.262 175.159 174.900 -0.005 0.000 1.022 250 G CA 0.315 45.404 45.100 -0.018 0.000 0.961 250 G HN 0.716 nan 8.290 nan 0.000 0.510 251 A N -0.360 122.457 122.820 -0.005 0.000 2.304 251 A HA 0.642 4.962 4.320 -0.000 0.000 0.271 251 A C 0.355 177.945 177.584 0.009 0.000 1.091 251 A CA 0.061 52.104 52.037 0.010 0.000 0.812 251 A CB 0.440 19.445 19.000 0.007 0.000 1.056 251 A HN 1.330 nan 8.150 nan 0.000 0.489 252 H N 0.868 119.887 119.070 -0.085 0.000 2.723 252 H HA 0.502 5.058 4.556 -0.000 0.000 0.294 252 H C -0.734 174.483 175.328 -0.185 0.000 1.079 252 H CA -0.384 55.568 56.048 -0.161 0.000 1.411 252 H CB 0.005 29.631 29.762 -0.226 0.000 1.439 252 H HN 0.408 nan 8.280 nan 0.000 0.474 253 I N 7.072 127.273 120.570 -0.616 0.000 2.312 253 I HA 0.014 4.184 4.170 -0.000 0.000 0.290 253 I C 0.112 175.845 176.117 -0.641 0.000 1.008 253 I CA -0.441 60.577 61.300 -0.470 0.000 1.226 253 I CB 0.851 38.723 38.000 -0.214 0.000 1.371 253 I HN 0.745 nan 8.210 nan 0.000 0.468 254 Y N 5.172 125.218 120.300 -0.424 0.000 2.206 254 Y HA 0.200 4.750 4.550 -0.000 0.000 0.292 254 Y C 1.251 177.057 175.900 -0.156 0.000 1.123 254 Y CA 1.004 58.943 58.100 -0.269 0.000 1.142 254 Y CB 0.180 38.554 38.460 -0.142 0.000 1.006 254 Y HN 0.681 nan 8.280 nan 0.000 0.518 255 A N -0.828 122.015 122.820 0.039 0.000 2.515 255 A HA 0.413 4.733 4.320 -0.000 0.000 0.292 255 A C -1.505 176.074 177.584 -0.009 0.000 1.065 255 A CA -0.828 51.213 52.037 0.008 0.000 0.641 255 A CB 0.659 19.676 19.000 0.028 0.000 1.306 255 A HN 0.060 nan 8.150 nan 0.000 0.441 256 E N 0.418 120.612 120.200 -0.009 0.000 2.191 256 E HA 0.615 4.965 4.350 -0.000 0.000 0.274 256 E C -1.199 175.398 176.600 -0.005 0.000 0.948 256 E CA -0.615 55.778 56.400 -0.012 0.000 0.802 256 E CB 0.955 30.649 29.700 -0.008 0.000 1.137 256 E HN 0.488 nan 8.360 nan 0.000 0.397 257 I N 5.742 126.305 120.570 -0.012 0.000 2.308 257 I HA 0.032 4.202 4.170 -0.000 0.000 0.293 257 I C 1.053 177.181 176.117 0.018 0.000 1.078 257 I CA -0.291 61.006 61.300 -0.004 0.000 1.292 257 I CB 0.872 38.856 38.000 -0.028 0.000 1.423 257 I HN 0.506 nan 8.210 nan 0.000 0.493 258 V N 2.618 122.551 119.914 0.031 0.000 3.650 258 V HA 0.502 4.622 4.120 -0.000 0.000 0.271 258 V C 0.720 176.853 176.094 0.066 0.000 1.281 258 V CA 0.164 62.490 62.300 0.043 0.000 1.120 258 V CB -0.111 31.733 31.823 0.036 0.000 0.856 258 V HN 0.711 nan 8.190 nan 0.000 0.443 259 G N -0.469 108.380 108.800 0.082 0.000 2.759 259 G HA2 0.547 4.506 3.960 -0.000 0.000 0.297 259 G HA3 0.547 4.506 3.960 -0.000 0.000 0.297 259 G C -2.310 172.696 174.900 0.177 0.000 1.434 259 G CA -0.586 44.581 45.100 0.111 0.000 0.980 259 G HN 0.355 nan 8.290 nan 0.000 0.531 260 Y N 1.157 121.469 120.300 0.019 0.000 2.330 260 Y HA 0.671 5.221 4.550 -0.000 0.000 0.324 260 Y C -0.213 175.702 175.900 0.026 0.000 1.093 260 Y CA -1.132 56.977 58.100 0.014 0.000 1.103 260 Y CB 1.700 40.169 38.460 0.015 0.000 1.183 260 Y HN 0.867 nan 8.280 nan 0.000 0.433 261 G N 3.041 111.708 108.800 -0.221 0.000 2.452 261 G HA2 0.754 4.714 3.960 -0.000 0.000 0.324 261 G HA3 0.754 4.714 3.960 -0.000 0.000 0.324 261 G C -1.665 172.993 174.900 -0.403 0.000 1.214 261 G CA -0.630 44.279 45.100 -0.319 0.000 0.947 261 G HN 1.181 nan 8.290 nan 0.000 0.478 262 A N 1.539 124.155 122.820 -0.339 0.000 2.530 262 A HA 0.816 5.136 4.320 -0.000 0.000 0.279 262 A C 0.013 177.583 177.584 -0.023 0.000 1.109 262 A CA -0.100 51.894 52.037 -0.073 0.000 0.763 262 A CB 1.065 20.010 19.000 -0.093 0.000 1.257 262 A HN 1.483 nan 8.150 nan 0.000 0.424 263 T N -1.419 113.168 114.554 0.054 0.000 2.831 263 T HA 0.864 5.214 4.350 -0.000 0.000 0.287 263 T C -0.202 174.529 174.700 0.052 0.000 1.070 263 T CA -0.521 61.594 62.100 0.025 0.000 1.010 263 T CB 1.785 70.658 68.868 0.008 0.000 1.264 263 T HN 1.296 nan 8.240 nan 0.000 0.532 264 S N -0.981 114.732 115.700 0.023 0.000 2.536 264 S HA 0.455 4.925 4.470 -0.000 0.000 0.287 264 S C -0.199 174.405 174.600 0.007 0.000 1.101 264 S CA -0.620 57.595 58.200 0.025 0.000 0.950 264 S CB 1.582 64.789 63.200 0.011 0.000 1.056 264 S HN 0.692 nan 8.310 nan 0.000 0.481 265 D N 2.822 123.226 120.400 0.006 0.000 2.137 265 D HA 0.153 4.793 4.640 -0.000 0.000 0.202 265 D C 1.462 177.755 176.300 -0.011 0.000 0.970 265 D CA 1.517 55.508 54.000 -0.013 0.000 0.837 265 D CB -0.537 40.252 40.800 -0.019 0.000 0.981 265 D HN 1.055 nan 8.370 nan 0.000 0.475 266 G N 0.127 108.926 108.800 -0.002 0.000 2.323 266 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.292 266 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.292 266 G C 0.606 175.500 174.900 -0.009 0.000 1.040 266 G CA 0.902 46.000 45.100 -0.004 0.000 0.942 266 G HN 0.626 nan 8.290 nan 0.000 0.506 267 A N -1.016 121.799 122.820 -0.009 0.000 1.758 267 A HA 0.655 4.975 4.320 -0.000 0.000 0.172 267 A C 0.279 177.854 177.584 -0.015 0.000 1.924 267 A CA 0.720 52.748 52.037 -0.014 0.000 1.449 267 A CB 0.507 19.495 19.000 -0.020 0.000 1.075 267 A HN 0.266 nan 8.150 nan 0.000 0.777 268 D N -0.446 119.943 120.400 -0.018 0.000 2.181 268 D HA 0.459 5.099 4.640 -0.000 0.000 0.248 268 D C 0.533 176.817 176.300 -0.028 0.000 1.020 268 D CA -0.474 53.510 54.000 -0.026 0.000 0.891 268 D CB 1.711 42.492 40.800 -0.032 0.000 1.187 268 D HN 0.152 nan 8.370 nan 0.000 0.443 269 M N 1.429 120.998 119.600 -0.052 0.000 2.200 269 M HA -0.092 4.388 4.480 -0.000 0.000 0.265 269 M C 1.261 177.462 176.300 -0.165 0.000 1.066 269 M CA 1.380 56.639 55.300 -0.068 0.000 1.127 269 M CB 0.154 32.708 32.600 -0.077 0.000 1.379 269 M HN 0.380 nan 8.290 nan 0.000 0.420 270 V N -3.658 116.097 119.914 -0.266 0.000 3.432 270 V HA 0.686 4.806 4.120 -0.000 0.000 0.298 270 V C 0.272 176.240 176.094 -0.209 0.000 1.464 270 V CA -0.024 61.934 62.300 -0.572 0.000 1.046 270 V CB -0.932 30.427 31.823 -0.774 0.000 0.887 270 V HN 0.203 nan 8.190 nan 0.000 0.441 271 A N 0.925 123.706 122.820 -0.065 0.000 2.386 271 A HA 0.961 5.281 4.320 -0.000 0.000 0.311 271 A C -3.134 174.457 177.584 0.013 0.000 1.068 271 A CA -1.822 50.220 52.037 0.009 0.000 0.743 271 A CB 1.386 20.382 19.000 -0.006 0.000 1.258 271 A HN 0.236 nan 8.150 nan 0.000 0.429 272 P HA 0.185 nan 4.420 nan 0.000 0.275 272 P C 0.842 178.098 177.300 -0.073 0.000 1.227 272 P CA -0.036 63.026 63.100 -0.062 0.000 0.781 272 P CB 1.282 32.908 31.700 -0.124 0.000 0.906 273 S N 1.519 117.164 115.700 -0.091 0.000 2.458 273 S HA 0.163 4.633 4.470 -0.000 0.000 0.223 273 S C 1.638 176.185 174.600 -0.087 0.000 1.019 273 S CA 0.864 59.022 58.200 -0.071 0.000 0.937 273 S CB -0.917 62.247 63.200 -0.059 0.000 0.788 273 S HN 0.668 nan 8.310 nan 0.000 0.511 274 G N 1.736 110.451 108.800 -0.142 0.000 2.527 274 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.218 274 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.218 274 G C 0.873 175.702 174.900 -0.118 0.000 1.177 274 G CA 0.541 45.558 45.100 -0.138 0.000 0.695 274 G HN 0.538 nan 8.290 nan 0.000 0.517 275 E N 1.227 121.376 120.200 -0.085 0.000 2.110 275 E HA 0.009 4.359 4.350 -0.000 0.000 0.193 275 E C 2.611 179.169 176.600 -0.070 0.000 0.988 275 E CA 1.710 58.071 56.400 -0.065 0.000 0.804 275 E CB -0.736 28.935 29.700 -0.047 0.000 0.745 275 E HN 0.607 nan 8.360 nan 0.000 0.458 276 G N 0.824 109.573 108.800 -0.085 0.000 2.418 276 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 276 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 276 G C 1.661 176.518 174.900 -0.071 0.000 1.158 276 G CA 0.993 46.052 45.100 -0.069 0.000 0.771 276 G HN 0.413 nan 8.290 nan 0.000 0.545 277 A N 0.050 122.771 122.820 -0.165 0.000 1.933 277 A HA 0.095 4.415 4.320 -0.000 0.000 0.218 277 A C 2.608 180.186 177.584 -0.011 0.000 1.175 277 A CA 1.761 53.718 52.037 -0.134 0.000 0.628 277 A CB -0.575 18.161 19.000 -0.440 0.000 0.814 277 A HN 0.253 nan 8.150 nan 0.000 0.444 278 V N 0.036 119.922 119.914 -0.047 0.000 2.261 278 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 278 V C 2.657 178.730 176.094 -0.036 0.000 1.047 278 V CA 2.356 64.633 62.300 -0.039 0.000 1.015 278 V CB -0.796 30.998 31.823 -0.048 0.000 0.642 278 V HN 0.542 nan 8.190 nan 0.000 0.446 279 R N -1.060 119.421 120.500 -0.032 0.000 2.096 279 R HA -0.197 4.143 4.340 -0.000 0.000 0.235 279 R C 2.408 178.696 176.300 -0.018 0.000 1.127 279 R CA 1.737 57.820 56.100 -0.029 0.000 0.968 279 R CB -0.897 29.386 30.300 -0.029 0.000 0.861 279 R HN 0.579 nan 8.270 nan 0.000 0.440 280 C N 0.690 119.995 119.300 0.007 0.000 2.453 280 C HA -0.050 4.410 4.460 -0.000 0.000 0.277 280 C C 2.612 177.616 174.990 0.024 0.000 1.262 280 C CA 0.789 59.821 59.018 0.024 0.000 1.718 280 C CB -0.673 27.126 27.740 0.099 0.000 2.031 280 C HN 0.461 nan 8.230 nan 0.000 0.480 281 M N 0.188 119.813 119.600 0.042 0.000 2.117 281 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 281 M C 2.285 178.567 176.300 -0.030 0.000 1.065 281 M CA 1.821 57.136 55.300 0.026 0.000 1.114 281 M CB -0.462 32.156 32.600 0.031 0.000 1.361 281 M HN 0.382 nan 8.290 nan 0.000 0.408 282 K N -0.042 120.325 120.400 -0.056 0.000 2.097 282 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 282 K C 1.979 178.580 176.600 0.002 0.000 1.049 282 K CA 1.330 57.584 56.287 -0.056 0.000 0.933 282 K CB -0.228 32.237 32.500 -0.057 0.000 0.717 282 K HN 0.379 nan 8.250 nan 0.000 0.442 283 M N 0.571 120.166 119.600 -0.007 0.000 2.117 283 M HA -0.144 4.336 4.480 -0.000 0.000 0.262 283 M C 2.106 178.416 176.300 0.016 0.000 1.065 283 M CA 1.746 57.039 55.300 -0.013 0.000 1.114 283 M CB -0.078 32.482 32.600 -0.066 0.000 1.361 283 M HN 0.143 nan 8.290 nan 0.000 0.408 284 A N 0.097 122.924 122.820 0.011 0.000 2.015 284 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 284 A C 1.914 179.537 177.584 0.065 0.000 1.163 284 A CA 1.380 53.444 52.037 0.044 0.000 0.646 284 A CB -0.614 18.418 19.000 0.053 0.000 0.806 284 A HN 0.653 nan 8.150 nan 0.000 0.448 285 M N -0.847 118.783 119.600 0.049 0.000 2.556 285 M HA 0.038 4.518 4.480 -0.000 0.000 0.245 285 M C 0.662 176.986 176.300 0.041 0.000 1.128 285 M CA 0.107 55.428 55.300 0.036 0.000 1.069 285 M CB -0.019 32.570 32.600 -0.018 0.000 1.469 285 M HN 0.410 nan 8.290 nan 0.000 0.494 286 H N 0.658 119.719 119.070 -0.016 0.000 3.046 286 H HA 0.058 4.614 4.556 -0.000 0.000 0.303 286 H C 1.082 176.409 175.328 -0.002 0.000 1.002 286 H CA 1.939 57.978 56.048 -0.015 0.000 1.460 286 H CB 0.480 30.231 29.762 -0.019 0.000 1.493 286 H HN 0.551 nan 8.280 nan 0.000 0.559 287 G N 3.972 112.611 108.800 -0.268 0.000 2.284 287 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.247 287 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.247 287 G C 0.303 175.177 174.900 -0.043 0.000 1.012 287 G CA 0.174 45.211 45.100 -0.104 0.000 0.618 287 G HN 0.632 nan 8.290 nan 0.000 0.521 288 V N 3.417 123.319 119.914 -0.020 0.000 2.400 288 V HA 0.280 4.400 4.120 -0.000 0.000 0.263 288 V C 1.270 177.358 176.094 -0.010 0.000 1.026 288 V CA 0.809 63.111 62.300 0.003 0.000 1.077 288 V CB 0.871 32.710 31.823 0.026 0.000 1.054 288 V HN 0.565 nan 8.190 nan 0.000 0.477 289 D N 2.632 123.027 120.400 -0.008 0.000 2.324 289 D HA -0.012 4.628 4.640 -0.000 0.000 0.235 289 D C 0.717 177.020 176.300 0.006 0.000 1.095 289 D CA 0.105 54.100 54.000 -0.009 0.000 0.871 289 D CB -0.064 40.730 40.800 -0.011 0.000 0.906 289 D HN 0.603 nan 8.370 nan 0.000 0.522 290 T N -2.774 111.790 114.554 0.017 0.000 2.908 290 T HA 0.596 4.946 4.350 -0.000 0.000 0.290 290 T C -2.824 171.903 174.700 0.044 0.000 1.034 290 T CA -1.783 60.333 62.100 0.026 0.000 1.010 290 T CB 2.411 71.294 68.868 0.025 0.000 1.068 290 T HN -0.163 nan 8.240 nan 0.000 0.481 291 P HA 0.343 nan 4.420 nan 0.000 0.277 291 P C -0.493 176.851 177.300 0.073 0.000 1.240 291 P CA -0.679 62.465 63.100 0.075 0.000 0.798 291 P CB 0.599 32.333 31.700 0.057 0.000 0.979 292 I N 3.098 123.730 120.570 0.103 0.000 2.363 292 I HA 0.018 4.188 4.170 -0.000 0.000 0.292 292 I C 1.331 177.432 176.117 -0.027 0.000 1.075 292 I CA 0.309 61.640 61.300 0.051 0.000 1.333 292 I CB -0.016 38.032 38.000 0.080 0.000 1.415 292 I HN 0.323 nan 8.210 nan 0.000 0.502 293 D N 5.041 125.445 120.400 0.007 0.000 2.137 293 D HA -0.111 4.529 4.640 -0.000 0.000 0.202 293 D C 0.154 176.485 176.300 0.051 0.000 0.970 293 D CA 1.567 55.579 54.000 0.020 0.000 0.837 293 D CB 0.307 41.133 40.800 0.043 0.000 0.981 293 D HN 0.511 nan 8.370 nan 0.000 0.475 294 Y N 0.245 120.496 120.300 -0.081 0.000 2.492 294 Y HA 0.497 5.047 4.550 -0.000 0.000 0.346 294 Y C -1.778 174.073 175.900 -0.080 0.000 0.997 294 Y CA -1.172 56.874 58.100 -0.091 0.000 1.025 294 Y CB 1.501 39.908 38.460 -0.088 0.000 1.263 294 Y HN -0.230 nan 8.280 nan 0.000 0.454 295 L N 7.137 127.718 121.223 -1.070 0.000 2.372 295 L HA 0.456 4.796 4.340 -0.000 0.000 0.273 295 L C -1.093 175.162 176.870 -1.024 0.000 0.989 295 L CA -0.516 53.837 54.840 -0.813 0.000 0.841 295 L CB 0.835 42.642 42.059 -0.420 0.000 1.225 295 L HN 0.764 nan 8.230 nan 0.000 0.414 296 N N 3.531 121.782 118.700 -0.748 0.000 2.439 296 N HA 0.098 4.838 4.740 -0.000 0.000 0.243 296 N C -0.304 175.142 175.510 -0.107 0.000 1.088 296 N CA -0.127 52.757 53.050 -0.277 0.000 0.940 296 N CB 0.991 39.495 38.487 0.029 0.000 1.180 296 N HN 0.702 nan 8.380 nan 0.000 0.505 297 S N 2.713 118.399 115.700 -0.023 0.000 2.593 297 S HA 0.018 4.488 4.470 -0.000 0.000 0.269 297 S C 1.335 175.977 174.600 0.070 0.000 1.334 297 S CA -0.254 57.990 58.200 0.073 0.000 1.015 297 S CB 1.249 64.572 63.200 0.206 0.000 0.912 297 S HN 0.718 nan 8.310 nan 0.000 0.541 298 H N 2.363 121.417 119.070 -0.027 0.000 2.321 298 H HA 0.120 4.676 4.556 -0.000 0.000 0.300 298 H C 1.612 176.911 175.328 -0.048 0.000 1.087 298 H CA 1.541 57.533 56.048 -0.094 0.000 1.319 298 H CB -1.093 28.603 29.762 -0.110 0.000 1.379 298 H HN 1.080 nan 8.280 nan 0.000 0.501 299 G N 0.750 109.549 108.800 -0.002 0.000 2.167 299 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.233 299 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.233 299 G C 0.900 175.621 174.900 -0.298 0.000 0.493 299 G CA 0.977 45.965 45.100 -0.187 0.000 1.034 299 G HN 0.761 nan 8.290 nan 0.000 0.410 300 T N -1.463 112.892 114.554 -0.332 0.000 3.129 300 T HA 0.412 4.762 4.350 -0.000 0.000 0.251 300 T C 1.261 175.903 174.700 -0.096 0.000 1.117 300 T CA 0.926 62.840 62.100 -0.309 0.000 1.034 300 T CB 0.340 68.873 68.868 -0.557 0.000 0.968 300 T HN 1.824 nan 8.240 nan 0.000 0.526 301 S N 0.926 116.550 115.700 -0.127 0.000 3.807 301 S HA -0.137 4.333 4.470 -0.000 0.000 0.304 301 S C 0.225 174.840 174.600 0.026 0.000 1.152 301 S CA 0.547 58.704 58.200 -0.072 0.000 0.852 301 S CB -2.135 61.042 63.200 -0.038 0.000 0.924 301 S HN 1.226 nan 8.310 nan 0.000 0.545 302 T N -1.014 113.565 114.554 0.042 0.000 2.895 302 T HA 0.694 5.044 4.350 -0.000 0.000 0.283 302 T C -1.440 173.310 174.700 0.083 0.000 1.014 302 T CA -1.621 60.542 62.100 0.104 0.000 1.037 302 T CB 1.680 70.642 68.868 0.156 0.000 1.006 302 T HN -0.039 nan 8.240 nan 0.000 0.468 303 P HA -0.132 nan 4.420 nan 0.000 0.213 303 P C 1.652 178.997 177.300 0.075 0.000 1.170 303 P CA 0.749 63.894 63.100 0.074 0.000 0.902 303 P CB -0.036 31.705 31.700 0.068 0.000 0.789 304 V N -0.505 119.457 119.914 0.080 0.000 2.302 304 V HA -0.073 4.047 4.120 -0.000 0.000 0.243 304 V C 2.609 178.753 176.094 0.083 0.000 1.036 304 V CA 2.341 64.684 62.300 0.072 0.000 1.020 304 V CB -1.973 29.889 31.823 0.064 0.000 0.657 304 V HN 0.163 nan 8.190 nan 0.000 0.453 305 G N 0.141 109.003 108.800 0.104 0.000 2.491 305 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.218 305 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.218 305 G C 1.183 176.163 174.900 0.134 0.000 1.180 305 G CA 1.413 46.587 45.100 0.123 0.000 0.774 305 G HN 0.498 nan 8.290 nan 0.000 0.562 306 D N 0.050 120.520 120.400 0.115 0.000 2.106 306 D HA -0.156 4.484 4.640 -0.000 0.000 0.191 306 D C 2.904 179.354 176.300 0.250 0.000 0.997 306 D CA 2.028 56.117 54.000 0.148 0.000 0.834 306 D CB -0.663 40.175 40.800 0.063 0.000 0.956 306 D HN 0.370 nan 8.370 nan 0.000 0.448 307 V N -1.550 118.469 119.914 0.175 0.000 2.667 307 V HA -0.044 4.076 4.120 -0.000 0.000 0.252 307 V C 2.023 178.174 176.094 0.094 0.000 1.065 307 V CA 1.009 63.391 62.300 0.138 0.000 1.083 307 V CB -0.336 31.544 31.823 0.095 0.000 0.692 307 V HN -0.061 nan 8.190 nan 0.000 0.468 308 K N 0.881 121.326 120.400 0.075 0.000 2.057 308 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 308 K C 2.237 178.848 176.600 0.018 0.000 1.049 308 K CA 2.144 58.446 56.287 0.025 0.000 0.931 308 K CB -0.325 32.170 32.500 -0.008 0.000 0.714 308 K HN 0.786 nan 8.250 nan 0.000 0.440 309 E N 0.691 120.934 120.200 0.071 0.000 2.106 309 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 309 E C 2.112 178.793 176.600 0.136 0.000 0.984 309 E CA 0.576 57.045 56.400 0.115 0.000 0.806 309 E CB 0.035 29.910 29.700 0.291 0.000 0.750 309 E HN 0.166 nan 8.360 nan 0.000 0.458 310 L N 0.423 121.730 121.223 0.140 0.000 2.083 310 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 310 L C 2.680 179.585 176.870 0.057 0.000 1.083 310 L CA 1.012 55.900 54.840 0.080 0.000 0.752 310 L CB -0.486 41.594 42.059 0.034 0.000 0.899 310 L HN 0.237 nan 8.230 nan 0.000 0.433 311 A N 0.020 122.870 122.820 0.049 0.000 1.933 311 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 311 A C 2.525 180.128 177.584 0.031 0.000 1.175 311 A CA 1.643 53.698 52.037 0.031 0.000 0.628 311 A CB -0.575 18.435 19.000 0.018 0.000 0.814 311 A HN 0.399 nan 8.150 nan 0.000 0.444 312 A N -0.052 122.786 122.820 0.029 0.000 1.898 312 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 312 A C 2.098 179.727 177.584 0.075 0.000 1.181 312 A CA 1.421 53.471 52.037 0.022 0.000 0.620 312 A CB -0.579 18.415 19.000 -0.010 0.000 0.819 312 A HN 0.485 nan 8.150 nan 0.000 0.442 313 I N -0.990 119.662 120.570 0.136 0.000 2.226 313 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 313 I C 2.666 178.937 176.117 0.258 0.000 1.100 313 I CA 1.677 63.129 61.300 0.255 0.000 1.374 313 I CB -0.217 37.900 38.000 0.196 0.000 1.057 313 I HN 0.267 nan 8.210 nan 0.000 0.413 314 R N 1.273 121.852 120.500 0.133 0.000 2.096 314 R HA -0.218 4.122 4.340 -0.000 0.000 0.235 314 R C 2.065 178.411 176.300 0.076 0.000 1.127 314 R CA 1.639 57.800 56.100 0.101 0.000 0.968 314 R CB -0.360 29.970 30.300 0.050 0.000 0.861 314 R HN 0.276 nan 8.270 nan 0.000 0.440 315 E N -0.489 119.736 120.200 0.042 0.000 2.072 315 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 315 E C 1.764 178.339 176.600 -0.041 0.000 0.985 315 E CA 1.609 58.010 56.400 0.000 0.000 0.801 315 E CB -0.217 29.475 29.700 -0.013 0.000 0.750 315 E HN 0.165 nan 8.360 nan 0.000 0.452 316 V N -0.231 119.633 119.914 -0.083 0.000 2.323 316 V HA -0.156 3.964 4.120 -0.000 0.000 0.244 316 V C 1.712 177.565 176.094 -0.402 0.000 1.041 316 V CA 1.843 63.963 62.300 -0.301 0.000 1.025 316 V CB -0.507 31.015 31.823 -0.502 0.000 0.656 316 V HN 0.250 nan 8.190 nan 0.000 0.451 317 F N -0.071 119.877 119.950 -0.003 0.000 2.695 317 F HA 0.519 5.046 4.527 -0.000 0.000 0.303 317 F C 1.798 177.594 175.800 -0.007 0.000 1.091 317 F CA 0.447 58.444 58.000 -0.006 0.000 1.300 317 F CB -0.533 38.462 39.000 -0.008 0.000 1.071 317 F HN 0.250 nan 8.300 nan 0.000 0.578 318 G N 1.089 109.966 108.800 0.128 0.000 2.660 318 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.321 318 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.321 318 G C 0.836 175.786 174.900 0.083 0.000 1.246 318 G CA 0.964 46.110 45.100 0.078 0.000 1.000 318 G HN 0.270 nan 8.290 nan 0.000 0.550 319 D N 1.278 121.715 120.400 0.061 0.000 2.349 319 D HA 0.100 4.740 4.640 -0.000 0.000 0.215 319 D C 1.425 177.752 176.300 0.046 0.000 1.016 319 D CA 0.636 54.662 54.000 0.044 0.000 0.870 319 D CB 0.127 40.944 40.800 0.028 0.000 0.917 319 D HN 0.463 nan 8.370 nan 0.000 0.524 320 K N 1.059 121.505 120.400 0.077 0.000 3.129 320 K HA 0.134 4.454 4.320 -0.000 0.000 0.224 320 K C 0.172 176.805 176.600 0.055 0.000 1.249 320 K CA -0.227 56.100 56.287 0.067 0.000 1.177 320 K CB 0.760 33.311 32.500 0.085 0.000 1.393 320 K HN -0.075 nan 8.250 nan 0.000 0.459 321 S N 1.414 117.112 115.700 -0.003 0.000 2.572 321 S HA 0.260 4.730 4.470 -0.000 0.000 0.279 321 S C -1.584 172.856 174.600 -0.266 0.000 1.341 321 S CA -1.059 57.043 58.200 -0.163 0.000 1.043 321 S CB 0.475 63.610 63.200 -0.109 0.000 0.887 321 S HN 0.157 nan 8.310 nan 0.000 0.516 322 P HA 0.371 nan 4.420 nan 0.000 0.293 322 P C -0.659 176.520 177.300 -0.202 0.000 1.304 322 P CA -0.682 62.218 63.100 -0.334 0.000 0.767 322 P CB 0.393 31.810 31.700 -0.473 0.000 1.247 323 A N 0.372 123.141 122.820 -0.085 0.000 2.440 323 A HA 0.443 4.763 4.320 -0.000 0.000 0.251 323 A C 0.279 177.870 177.584 0.013 0.000 1.089 323 A CA -0.087 51.960 52.037 0.017 0.000 0.779 323 A CB -0.859 18.213 19.000 0.121 0.000 1.022 323 A HN 0.419 nan 8.150 nan 0.000 0.492 324 I N 1.861 122.439 120.570 0.014 0.000 2.608 324 I HA 0.554 4.724 4.170 -0.000 0.000 0.295 324 I C 0.054 176.258 176.117 0.145 0.000 1.049 324 I CA -0.265 61.028 61.300 -0.012 0.000 1.063 324 I CB 2.485 40.429 38.000 -0.094 0.000 1.248 324 I HN 0.767 nan 8.210 nan 0.000 0.424 325 S N 3.717 119.557 115.700 0.232 0.000 2.535 325 S HA 0.817 5.287 4.470 -0.000 0.000 0.272 325 S C -1.087 173.664 174.600 0.252 0.000 1.149 325 S CA -0.809 57.560 58.200 0.281 0.000 0.888 325 S CB 1.938 65.308 63.200 0.283 0.000 1.110 325 S HN 0.794 nan 8.310 nan 0.000 0.463 326 A N 2.217 125.165 122.820 0.213 0.000 2.322 326 A HA 0.597 4.917 4.320 -0.000 0.000 0.327 326 A C 1.194 178.807 177.584 0.049 0.000 1.394 326 A CA -0.210 51.884 52.037 0.095 0.000 0.921 326 A CB -0.187 18.780 19.000 -0.055 0.000 1.153 326 A HN 1.368 nan 8.150 nan 0.000 0.523 327 T N -0.195 114.398 114.554 0.065 0.000 2.977 327 T HA -0.091 4.259 4.350 -0.000 0.000 0.271 327 T C 1.697 176.380 174.700 -0.028 0.000 1.105 327 T CA 1.387 63.482 62.100 -0.007 0.000 1.116 327 T CB -0.230 68.625 68.868 -0.021 0.000 0.878 327 T HN 0.837 nan 8.240 nan 0.000 0.509 328 A N 1.584 124.401 122.820 -0.005 0.000 2.070 328 A HA 0.354 4.673 4.320 -0.000 0.000 0.220 328 A C 2.737 180.306 177.584 -0.026 0.000 1.159 328 A CA 1.394 53.425 52.037 -0.010 0.000 0.656 328 A CB -1.173 17.799 19.000 -0.047 0.000 0.800 328 A HN 0.704 nan 8.150 nan 0.000 0.453 329 A N -0.833 121.960 122.820 -0.046 0.000 2.019 329 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 329 A C 2.164 179.727 177.584 -0.035 0.000 1.164 329 A CA 1.763 53.772 52.037 -0.047 0.000 0.644 329 A CB -0.395 18.578 19.000 -0.044 0.000 0.805 329 A HN 0.561 nan 8.150 nan 0.000 0.449 330 M N -1.420 118.154 119.600 -0.043 0.000 2.412 330 M HA -0.036 4.444 4.480 -0.000 0.000 0.263 330 M C 2.316 178.591 176.300 -0.042 0.000 1.122 330 M CA 1.674 56.943 55.300 -0.052 0.000 1.179 330 M CB -0.042 32.503 32.600 -0.093 0.000 1.335 330 M HN 0.568 nan 8.290 nan 0.000 0.465 331 T N -2.235 112.291 114.554 -0.047 0.000 3.057 331 T HA 0.420 4.770 4.350 -0.000 0.000 0.254 331 T C 1.011 175.726 174.700 0.025 0.000 1.094 331 T CA 0.414 62.504 62.100 -0.015 0.000 1.088 331 T CB -0.101 68.769 68.868 0.004 0.000 0.934 331 T HN 0.562 nan 8.240 nan 0.000 0.497 332 G N 0.990 109.815 108.800 0.042 0.000 2.796 332 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.571 332 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.571 332 G C -0.800 174.159 174.900 0.099 0.000 1.370 332 G CA -0.332 44.824 45.100 0.092 0.000 0.856 332 G HN 0.933 nan 8.290 nan 0.000 0.538 333 H N -0.029 119.058 119.070 0.029 0.000 2.581 333 H HA 0.609 5.165 4.556 -0.000 0.000 0.308 333 H C 1.506 176.786 175.328 -0.081 0.000 1.040 333 H CA 0.440 56.423 56.048 -0.107 0.000 1.231 333 H CB 0.970 30.521 29.762 -0.351 0.000 1.396 333 H HN 0.864 nan 8.280 nan 0.000 0.467 334 S N 5.057 120.458 115.700 -0.500 0.000 2.710 334 S HA 0.112 4.582 4.470 -0.000 0.000 0.224 334 S C 1.081 175.406 174.600 -0.459 0.000 0.948 334 S CA 0.121 58.104 58.200 -0.362 0.000 0.949 334 S CB -0.871 62.194 63.200 -0.226 0.000 0.778 334 S HN 0.784 nan 8.310 nan 0.000 0.498 335 L N -0.148 120.543 121.223 -0.886 0.000 5.154 335 L HA -0.345 3.995 4.340 -0.000 0.000 0.053 335 L C 2.236 178.957 176.870 -0.247 0.000 3.137 335 L CA 1.436 55.990 54.840 -0.477 0.000 1.466 335 L CB -2.046 39.914 42.059 -0.165 0.000 2.980 335 L HN 0.427 nan 8.230 nan 0.000 0.938 336 G N -1.090 107.651 108.800 -0.098 0.000 2.470 336 G HA2 0.070 4.030 3.960 -0.000 0.000 0.220 336 G HA3 0.070 4.030 3.960 -0.000 0.000 0.220 336 G C 1.182 176.044 174.900 -0.063 0.000 1.121 336 G CA 1.204 46.281 45.100 -0.038 0.000 0.766 336 G HN 0.859 nan 8.290 nan 0.000 0.553 337 A N 0.101 122.856 122.820 -0.108 0.000 2.308 337 A HA 0.692 5.012 4.320 -0.000 0.000 0.217 337 A C 2.456 179.943 177.584 -0.163 0.000 1.216 337 A CA 1.182 53.154 52.037 -0.109 0.000 0.864 337 A CB -0.108 18.842 19.000 -0.084 0.000 0.902 337 A HN 0.476 nan 8.150 nan 0.000 0.499 338 A N 0.192 122.882 122.820 -0.216 0.000 1.902 338 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 338 A C 2.329 179.832 177.584 -0.135 0.000 1.181 338 A CA 1.908 53.822 52.037 -0.205 0.000 0.623 338 A CB -1.287 17.541 19.000 -0.287 0.000 0.818 338 A HN 0.686 nan 8.150 nan 0.000 0.443 339 G N -0.772 107.964 108.800 -0.106 0.000 2.491 339 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 339 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 339 G C 1.670 176.482 174.900 -0.146 0.000 1.180 339 G CA 1.440 46.473 45.100 -0.111 0.000 0.774 339 G HN 0.626 nan 8.290 nan 0.000 0.562 340 V N 0.192 120.014 119.914 -0.154 0.000 2.453 340 V HA -0.117 4.003 4.120 -0.000 0.000 0.247 340 V C 2.763 178.694 176.094 -0.270 0.000 1.048 340 V CA 2.504 64.697 62.300 -0.179 0.000 1.049 340 V CB -0.273 31.465 31.823 -0.143 0.000 0.672 340 V HN 0.534 nan 8.190 nan 0.000 0.457 341 Q N -0.409 119.193 119.800 -0.330 0.000 2.084 341 Q HA -0.264 4.076 4.340 -0.000 0.000 0.202 341 Q C 2.173 177.590 176.000 -0.972 0.000 0.978 341 Q CA 2.166 57.607 55.803 -0.603 0.000 0.844 341 Q CB -0.165 28.274 28.738 -0.499 0.000 0.898 341 Q HN 0.704 nan 8.270 nan 0.000 0.426 342 E N 0.432 120.315 120.200 -0.529 0.000 2.150 342 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 342 E C 1.875 178.374 176.600 -0.167 0.000 0.985 342 E CA 0.790 57.037 56.400 -0.256 0.000 0.814 342 E CB -0.031 29.653 29.700 -0.027 0.000 0.752 342 E HN 0.353 nan 8.360 nan 0.000 0.466 343 A N 0.793 123.494 122.820 -0.198 0.000 1.898 343 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 343 A C 2.117 179.610 177.584 -0.153 0.000 1.181 343 A CA 0.960 52.915 52.037 -0.137 0.000 0.620 343 A CB -0.441 18.472 19.000 -0.145 0.000 0.819 343 A HN 0.157 nan 8.150 nan 0.000 0.442 344 I N -1.517 118.899 120.570 -0.257 0.000 2.252 344 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 344 I C 2.270 178.336 176.117 -0.084 0.000 1.102 344 I CA 1.120 62.282 61.300 -0.231 0.000 1.385 344 I CB -0.401 37.424 38.000 -0.291 0.000 1.064 344 I HN 0.365 nan 8.210 nan 0.000 0.414 345 Y N 0.842 121.125 120.300 -0.029 0.000 2.181 345 Y HA -0.202 4.348 4.550 -0.000 0.000 0.288 345 Y C 2.937 178.823 175.900 -0.024 0.000 1.146 345 Y CA 0.883 58.980 58.100 -0.006 0.000 1.164 345 Y CB -1.345 37.121 38.460 0.009 0.000 0.982 345 Y HN 0.106 nan 8.280 nan 0.000 0.515 346 S N 0.113 115.905 115.700 0.152 0.000 2.368 346 S HA -0.137 4.333 4.470 -0.000 0.000 0.225 346 S C 2.164 176.787 174.600 0.039 0.000 1.030 346 S CA 1.142 59.417 58.200 0.125 0.000 0.999 346 S CB -0.643 62.640 63.200 0.139 0.000 0.844 346 S HN 0.356 nan 8.310 nan 0.000 0.459 347 L N 0.928 122.153 121.223 0.003 0.000 2.093 347 L HA -0.059 4.280 4.340 -0.000 0.000 0.208 347 L C 2.176 179.070 176.870 0.039 0.000 1.085 347 L CA 0.916 55.744 54.840 -0.019 0.000 0.755 347 L CB -0.530 41.442 42.059 -0.145 0.000 0.904 347 L HN 0.290 nan 8.230 nan 0.000 0.435 348 L N -1.174 120.101 121.223 0.086 0.000 2.093 348 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 348 L C 2.615 179.651 176.870 0.278 0.000 1.085 348 L CA 1.159 56.164 54.840 0.276 0.000 0.755 348 L CB -0.304 41.956 42.059 0.336 0.000 0.904 348 L HN 0.291 nan 8.230 nan 0.000 0.435 349 M N -0.818 118.738 119.600 -0.073 0.000 2.132 349 M HA -0.219 4.261 4.480 -0.000 0.000 0.263 349 M C 2.274 178.467 176.300 -0.179 0.000 1.065 349 M CA 1.577 56.561 55.300 -0.527 0.000 1.122 349 M CB -0.257 31.856 32.600 -0.812 0.000 1.365 349 M HN 0.216 nan 8.290 nan 0.000 0.411 350 L N 0.439 121.624 121.223 -0.063 0.000 2.093 350 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 350 L C 2.193 179.077 176.870 0.023 0.000 1.085 350 L CA 1.923 56.760 54.840 -0.005 0.000 0.755 350 L CB -0.515 41.558 42.059 0.024 0.000 0.904 350 L HN 0.197 nan 8.230 nan 0.000 0.435 351 E N -1.154 119.066 120.200 0.033 0.000 2.106 351 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 351 E C 1.622 178.097 176.600 -0.209 0.000 0.984 351 E CA 1.468 57.827 56.400 -0.067 0.000 0.806 351 E CB -0.097 29.578 29.700 -0.042 0.000 0.750 351 E HN 0.629 nan 8.360 nan 0.000 0.458 352 H N -1.095 118.102 119.070 0.212 0.000 2.549 352 H HA 0.292 4.848 4.556 -0.000 0.000 0.279 352 H C 0.489 175.971 175.328 0.257 0.000 1.018 352 H CA 0.466 56.656 56.048 0.236 0.000 1.175 352 H CB 0.435 30.374 29.762 0.295 0.000 1.485 352 H HN 0.259 nan 8.280 nan 0.000 0.543 353 G N 2.122 111.063 108.800 0.235 0.000 2.370 353 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.293 353 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.293 353 G C -0.235 174.811 174.900 0.244 0.000 0.992 353 G CA 0.854 46.051 45.100 0.162 0.000 1.247 353 G HN 0.538 nan 8.290 nan 0.000 0.505 354 F N -1.480 118.462 119.950 -0.014 0.000 2.693 354 F HA 0.794 5.321 4.527 -0.000 0.000 0.309 354 F C -0.934 174.778 175.800 -0.147 0.000 1.129 354 F CA -2.206 55.762 58.000 -0.054 0.000 0.948 354 F CB 1.152 40.133 39.000 -0.033 0.000 1.315 354 F HN 0.074 nan 8.300 nan 0.000 0.447 355 I N 2.897 123.325 120.570 -0.236 0.000 2.362 355 I HA 0.608 4.778 4.170 -0.000 0.000 0.289 355 I C 0.150 176.132 176.117 -0.225 0.000 0.994 355 I CA -1.089 59.918 61.300 -0.488 0.000 1.158 355 I CB 1.652 39.487 38.000 -0.275 0.000 1.315 355 I HN 0.964 nan 8.210 nan 0.000 0.451 356 A N 9.282 131.871 122.820 -0.385 0.000 2.462 356 A HA 0.444 4.764 4.320 -0.000 0.000 0.243 356 A C -2.329 175.252 177.584 -0.006 0.000 1.076 356 A CA -0.959 51.058 52.037 -0.034 0.000 0.773 356 A CB -0.361 18.593 19.000 -0.078 0.000 1.010 356 A HN 0.432 nan 8.150 nan 0.000 0.493 357 P HA 0.140 nan 4.420 nan 0.000 0.279 357 P C -0.395 176.938 177.300 0.054 0.000 1.239 357 P CA -0.223 62.905 63.100 0.047 0.000 0.789 357 P CB 1.283 33.006 31.700 0.038 0.000 0.933 358 S N 3.093 118.842 115.700 0.081 0.000 2.409 358 S HA 0.348 4.818 4.470 -0.000 0.000 0.308 358 S C 0.678 175.320 174.600 0.071 0.000 1.080 358 S CA -0.800 57.461 58.200 0.102 0.000 1.081 358 S CB -1.269 62.043 63.200 0.188 0.000 1.009 358 S HN 0.346 nan 8.310 nan 0.000 0.502 359 I N 1.974 122.565 120.570 0.034 0.000 3.156 359 I HA 0.473 4.643 4.170 -0.000 0.000 0.306 359 I C 0.384 176.505 176.117 0.006 0.000 1.048 359 I CA -0.597 60.713 61.300 0.016 0.000 1.207 359 I CB 0.311 38.309 38.000 -0.003 0.000 1.456 359 I HN 0.506 nan 8.210 nan 0.000 0.616 360 N N 0.890 119.587 118.700 -0.006 0.000 2.741 360 N HA -0.176 4.564 4.740 -0.000 0.000 0.251 360 N C -0.522 174.985 175.510 -0.005 0.000 1.112 360 N CA 0.982 54.017 53.050 -0.026 0.000 0.750 360 N CB -1.515 36.930 38.487 -0.069 0.000 1.119 360 N HN 0.608 nan 8.380 nan 0.000 0.561 361 I N 1.304 121.892 120.570 0.030 0.000 2.256 361 I HA 0.049 4.219 4.170 -0.000 0.000 0.294 361 I C 1.399 177.546 176.117 0.050 0.000 1.127 361 I CA -0.077 61.258 61.300 0.059 0.000 1.247 361 I CB 0.338 38.393 38.000 0.093 0.000 1.460 361 I HN 0.031 nan 8.210 nan 0.000 0.511 362 E N 3.716 123.944 120.200 0.047 0.000 2.170 362 E HA -0.022 4.328 4.350 -0.000 0.000 0.191 362 E C 0.558 177.195 176.600 0.062 0.000 0.981 362 E CA 0.618 57.042 56.400 0.040 0.000 0.830 362 E CB 0.449 30.161 29.700 0.020 0.000 0.775 362 E HN 0.514 nan 8.360 nan 0.000 0.470 363 E N 1.257 121.515 120.200 0.098 0.000 2.409 363 E HA 0.137 4.487 4.350 -0.000 0.000 0.259 363 E C -1.377 175.290 176.600 0.110 0.000 0.932 363 E CA -0.569 55.898 56.400 0.112 0.000 0.809 363 E CB 0.975 30.777 29.700 0.170 0.000 1.341 363 E HN -0.061 nan 8.360 nan 0.000 0.405 364 L N 4.017 125.291 121.223 0.084 0.000 2.540 364 L HA 0.058 4.398 4.340 -0.000 0.000 0.276 364 L C 0.274 177.189 176.870 0.075 0.000 1.212 364 L CA 0.671 55.559 54.840 0.082 0.000 0.893 364 L CB 0.550 42.639 42.059 0.049 0.000 1.138 364 L HN 0.551 nan 8.230 nan 0.000 0.491 365 D N 3.591 124.045 120.400 0.091 0.000 2.443 365 D HA -0.063 4.577 4.640 -0.000 0.000 0.239 365 D C 0.822 177.149 176.300 0.044 0.000 1.136 365 D CA 0.221 54.264 54.000 0.073 0.000 0.879 365 D CB 0.872 41.735 40.800 0.105 0.000 1.195 365 D HN 0.718 nan 8.370 nan 0.000 0.443 366 E N 2.014 122.234 120.200 0.033 0.000 2.070 366 E HA -0.252 4.098 4.350 -0.000 0.000 0.197 366 E C 1.680 178.290 176.600 0.016 0.000 1.004 366 E CA 1.107 57.520 56.400 0.022 0.000 0.805 366 E CB -0.011 29.700 29.700 0.018 0.000 0.744 366 E HN 0.595 nan 8.360 nan 0.000 0.451 367 Q N -0.288 119.525 119.800 0.023 0.000 2.561 367 Q HA -0.050 4.290 4.340 -0.000 0.000 0.217 367 Q C 1.574 177.576 176.000 0.003 0.000 0.980 367 Q CA 0.654 56.469 55.803 0.019 0.000 0.927 367 Q CB 0.088 28.846 28.738 0.034 0.000 0.980 367 Q HN 0.214 nan 8.270 nan 0.000 0.525 368 A N 0.500 123.313 122.820 -0.011 0.000 2.220 368 A HA 0.390 4.710 4.320 -0.000 0.000 0.211 368 A C 1.020 178.563 177.584 -0.067 0.000 1.176 368 A CA 0.131 52.124 52.037 -0.073 0.000 0.834 368 A CB 0.190 19.127 19.000 -0.105 0.000 0.868 368 A HN 0.294 nan 8.150 nan 0.000 0.488 369 A N -0.975 121.826 122.820 -0.031 0.000 2.483 369 A HA 0.438 4.758 4.320 -0.000 0.000 0.238 369 A C 1.592 179.161 177.584 -0.025 0.000 1.070 369 A CA 0.673 52.696 52.037 -0.024 0.000 0.770 369 A CB -0.525 18.470 19.000 -0.008 0.000 1.008 369 A HN 1.938 nan 8.150 nan 0.000 0.497 370 G N 0.069 108.855 108.800 -0.023 0.000 2.176 370 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.253 370 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.253 370 G C -0.006 174.877 174.900 -0.028 0.000 0.979 370 G CA 0.478 45.567 45.100 -0.018 0.000 0.641 370 G HN 0.796 nan 8.290 nan 0.000 0.530 371 L N -0.716 120.477 121.223 -0.050 0.000 2.271 371 L HA 0.622 4.962 4.340 -0.000 0.000 0.265 371 L C 0.127 176.953 176.870 -0.073 0.000 1.013 371 L CA -1.258 53.541 54.840 -0.069 0.000 0.820 371 L CB 1.600 43.597 42.059 -0.104 0.000 1.352 371 L HN 0.050 nan 8.230 nan 0.000 0.443 372 N N 1.633 120.284 118.700 -0.082 0.000 2.955 372 N HA 0.259 4.999 4.740 -0.000 0.000 0.242 372 N C -1.098 174.375 175.510 -0.062 0.000 1.123 372 N CA -0.353 52.660 53.050 -0.061 0.000 0.949 372 N CB 0.136 38.593 38.487 -0.049 0.000 1.214 372 N HN 0.294 nan 8.380 nan 0.000 0.504 373 I N 3.127 123.654 120.570 -0.072 0.000 2.322 373 I HA 0.171 4.341 4.170 -0.000 0.000 0.292 373 I C 0.121 176.241 176.117 0.005 0.000 1.060 373 I CA -0.700 60.565 61.300 -0.058 0.000 1.309 373 I CB 0.612 38.539 38.000 -0.121 0.000 1.415 373 I HN 0.064 nan 8.210 nan 0.000 0.492 374 V N 6.905 126.845 119.914 0.044 0.000 2.455 374 V HA 0.153 4.273 4.120 -0.000 0.000 0.273 374 V C 1.342 177.472 176.094 0.060 0.000 1.045 374 V CA -0.092 62.238 62.300 0.050 0.000 0.976 374 V CB 0.866 32.724 31.823 0.059 0.000 0.993 374 V HN 0.900 nan 8.190 nan 0.000 0.475 375 T N 0.385 114.967 114.554 0.046 0.000 3.085 375 T HA 0.270 4.620 4.350 -0.000 0.000 0.264 375 T C 0.190 174.912 174.700 0.036 0.000 1.019 375 T CA -0.192 61.936 62.100 0.047 0.000 0.910 375 T CB -0.154 68.740 68.868 0.043 0.000 1.059 375 T HN 0.820 nan 8.240 nan 0.000 0.542 376 E N 0.463 120.683 120.200 0.033 0.000 2.308 376 E HA 0.426 4.776 4.350 -0.000 0.000 0.275 376 E C -1.375 175.247 176.600 0.037 0.000 0.890 376 E CA -1.026 55.391 56.400 0.028 0.000 0.754 376 E CB 1.134 30.847 29.700 0.021 0.000 1.207 376 E HN -0.098 nan 8.360 nan 0.000 0.426 377 T N 2.740 117.319 114.554 0.041 0.000 2.822 377 T HA 0.086 4.436 4.350 -0.000 0.000 0.288 377 T C -0.407 174.334 174.700 0.068 0.000 0.991 377 T CA 0.489 62.634 62.100 0.075 0.000 1.176 377 T CB 0.123 69.018 68.868 0.046 0.000 0.951 377 T HN 0.461 nan 8.240 nan 0.000 0.526 378 T N 4.239 118.848 114.554 0.092 0.000 2.840 378 T HA 0.238 4.588 4.350 -0.000 0.000 0.287 378 T C -0.444 174.314 174.700 0.097 0.000 0.991 378 T CA -0.965 61.175 62.100 0.067 0.000 0.964 378 T CB 1.132 70.022 68.868 0.036 0.000 0.954 378 T HN 0.454 nan 8.240 nan 0.000 0.438 379 D N 2.926 123.377 120.400 0.084 0.000 2.389 379 D HA 0.366 5.006 4.640 -0.000 0.000 0.247 379 D C 0.372 176.712 176.300 0.067 0.000 1.128 379 D CA 0.164 54.224 54.000 0.100 0.000 0.884 379 D CB 1.123 41.962 40.800 0.066 0.000 1.194 379 D HN 0.414 nan 8.370 nan 0.000 0.441 380 R N 1.231 121.772 120.500 0.069 0.000 2.644 380 R HA 0.043 4.383 4.340 -0.000 0.000 0.257 380 R C -1.282 175.040 176.300 0.037 0.000 1.082 380 R CA -0.601 55.522 56.100 0.039 0.000 0.927 380 R CB 1.325 31.637 30.300 0.020 0.000 1.258 380 R HN 0.362 nan 8.270 nan 0.000 0.459 381 E N 5.587 125.806 120.200 0.031 0.000 1.858 381 E HA 0.128 4.478 4.350 -0.000 0.000 0.267 381 E C -0.620 175.993 176.600 0.021 0.000 1.215 381 E CA -0.202 56.215 56.400 0.029 0.000 0.952 381 E CB 0.294 30.009 29.700 0.025 0.000 1.058 381 E HN 0.351 nan 8.360 nan 0.000 0.407 382 L N 3.369 124.602 121.223 0.016 0.000 2.418 382 L HA 0.208 4.548 4.340 -0.000 0.000 0.265 382 L C 1.022 177.905 176.870 0.021 0.000 1.143 382 L CA -0.247 54.602 54.840 0.016 0.000 0.809 382 L CB 1.334 43.393 42.059 0.000 0.000 1.124 382 L HN 0.522 nan 8.230 nan 0.000 0.456 383 T N -1.459 113.110 114.554 0.026 0.000 3.057 383 T HA 0.086 4.436 4.350 -0.000 0.000 0.254 383 T C 0.224 174.942 174.700 0.029 0.000 0.965 383 T CA 0.234 62.349 62.100 0.024 0.000 0.978 383 T CB 0.696 69.576 68.868 0.020 0.000 1.169 383 T HN 0.598 nan 8.240 nan 0.000 0.489 384 T N 2.869 117.445 114.554 0.037 0.000 2.879 384 T HA 0.672 5.022 4.350 -0.000 0.000 0.290 384 T C -0.732 174.001 174.700 0.054 0.000 0.993 384 T CA -0.676 61.449 62.100 0.043 0.000 0.975 384 T CB 2.038 70.932 68.868 0.043 0.000 0.981 384 T HN 0.212 nan 8.240 nan 0.000 0.439 385 V N 1.164 121.112 119.914 0.057 0.000 2.960 385 V HA 0.884 5.004 4.120 -0.000 0.000 0.315 385 V C -0.630 175.480 176.094 0.026 0.000 1.087 385 V CA -1.235 61.105 62.300 0.066 0.000 0.982 385 V CB 2.189 34.092 31.823 0.133 0.000 1.039 385 V HN 0.967 nan 8.190 nan 0.000 0.437 386 M N 2.653 122.234 119.600 -0.032 0.000 2.457 386 M HA 0.753 5.233 4.480 -0.000 0.000 0.300 386 M C -1.113 175.136 176.300 -0.086 0.000 1.141 386 M CA -0.274 55.009 55.300 -0.029 0.000 0.901 386 M CB 2.246 34.855 32.600 0.016 0.000 1.687 386 M HN 1.001 nan 8.290 nan 0.000 0.449 387 S N 3.117 118.786 115.700 -0.053 0.000 2.614 387 S HA 0.591 5.061 4.470 -0.000 0.000 0.288 387 S C -1.576 172.964 174.600 -0.100 0.000 1.137 387 S CA -0.781 57.374 58.200 -0.074 0.000 0.992 387 S CB 1.052 64.221 63.200 -0.052 0.000 1.026 387 S HN 0.843 nan 8.310 nan 0.000 0.486 388 N N 2.189 120.799 118.700 -0.150 0.000 2.443 388 N HA 0.575 5.315 4.740 -0.000 0.000 0.295 388 N C -1.261 173.922 175.510 -0.545 0.000 1.076 388 N CA -0.405 52.434 53.050 -0.352 0.000 0.919 388 N CB 1.901 40.173 38.487 -0.357 0.000 1.176 388 N HN 0.489 nan 8.380 nan 0.000 0.487 389 S N 1.244 116.454 115.700 -0.816 0.000 2.614 389 S HA 0.646 5.116 4.470 -0.000 0.000 0.288 389 S C -1.314 172.698 174.600 -0.980 0.000 1.137 389 S CA -0.590 57.200 58.200 -0.683 0.000 0.992 389 S CB 0.655 63.683 63.200 -0.286 0.000 1.026 389 S HN 0.304 nan 8.310 nan 0.000 0.486 390 F N 0.815 120.354 119.950 -0.684 0.000 2.563 390 F HA 0.862 5.389 4.527 -0.000 0.000 0.316 390 F C 0.689 176.283 175.800 -0.343 0.000 1.076 390 F CA -0.824 56.887 58.000 -0.482 0.000 0.921 390 F CB 1.989 40.692 39.000 -0.496 0.000 1.209 390 F HN 0.693 nan 8.300 nan 0.000 0.462 391 G N 0.612 109.475 108.800 0.105 0.000 2.680 391 G HA2 0.568 4.528 3.960 -0.000 0.000 0.290 391 G HA3 0.568 4.528 3.960 -0.000 0.000 0.290 391 G C -1.286 173.778 174.900 0.273 0.000 1.355 391 G CA -0.878 44.289 45.100 0.111 0.000 0.903 391 G HN 0.487 nan 8.290 nan 0.000 0.474 392 F N 0.118 120.144 119.950 0.127 0.000 2.595 392 F HA 0.289 4.816 4.527 -0.000 0.000 0.359 392 F C 1.679 177.531 175.800 0.087 0.000 1.147 392 F CA 1.312 59.378 58.000 0.110 0.000 1.341 392 F CB 0.916 39.995 39.000 0.132 0.000 1.104 392 F HN 0.900 nan 8.300 nan 0.000 0.603 393 G N 1.053 109.996 108.800 0.238 0.000 2.157 393 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.239 393 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.239 393 G C 0.674 175.638 174.900 0.107 0.000 0.982 393 G CA 0.046 45.228 45.100 0.137 0.000 0.650 393 G HN 1.748 nan 8.290 nan 0.000 0.527 394 G N -1.040 107.832 108.800 0.119 0.000 2.273 394 G HA2 0.057 4.017 3.960 -0.000 0.000 0.280 394 G HA3 0.057 4.017 3.960 -0.000 0.000 0.280 394 G C 0.395 175.353 174.900 0.096 0.000 1.047 394 G CA 1.394 46.541 45.100 0.079 0.000 0.869 394 G HN 1.929 nan 8.290 nan 0.000 0.502 395 T N 0.390 115.032 114.554 0.148 0.000 2.806 395 T HA 0.568 4.918 4.350 -0.000 0.000 0.290 395 T C 0.038 174.888 174.700 0.250 0.000 0.966 395 T CA -0.504 61.709 62.100 0.189 0.000 1.060 395 T CB 0.348 69.343 68.868 0.213 0.000 0.927 395 T HN 0.335 nan 8.240 nan 0.000 0.485 396 N N 2.619 121.483 118.700 0.273 0.000 2.238 396 N HA 0.697 5.437 4.740 -0.000 0.000 0.302 396 N C -1.381 174.229 175.510 0.167 0.000 1.072 396 N CA -0.632 52.602 53.050 0.307 0.000 0.792 396 N CB 2.160 40.827 38.487 0.299 0.000 1.425 396 N HN 0.745 nan 8.380 nan 0.000 0.478 397 A N 0.701 123.495 122.820 -0.043 0.000 2.455 397 A HA 0.776 5.096 4.320 -0.000 0.000 0.300 397 A C -0.894 176.615 177.584 -0.125 0.000 1.040 397 A CA -0.476 51.449 52.037 -0.187 0.000 0.697 397 A CB 1.420 20.050 19.000 -0.616 0.000 1.265 397 A HN 0.447 nan 8.150 nan 0.000 0.407 398 T N 2.229 116.776 114.554 -0.011 0.000 2.916 398 T HA 0.607 4.957 4.350 -0.000 0.000 0.298 398 T C -0.955 173.800 174.700 0.092 0.000 1.031 398 T CA -0.258 61.847 62.100 0.008 0.000 0.993 398 T CB 0.944 69.837 68.868 0.041 0.000 1.045 398 T HN 0.512 nan 8.240 nan 0.000 0.454 399 L N 2.643 123.895 121.223 0.049 0.000 2.365 399 L HA 0.789 5.129 4.340 -0.000 0.000 0.273 399 L C -0.861 176.035 176.870 0.043 0.000 1.000 399 L CA -1.161 53.719 54.840 0.066 0.000 0.819 399 L CB 2.120 44.181 42.059 0.004 0.000 1.284 399 L HN 0.335 nan 8.230 nan 0.000 0.418 400 V N 3.779 123.728 119.914 0.057 0.000 2.444 400 V HA 0.518 4.638 4.120 -0.000 0.000 0.294 400 V C -0.179 175.937 176.094 0.036 0.000 1.022 400 V CA -0.346 61.984 62.300 0.049 0.000 0.850 400 V CB 1.815 33.676 31.823 0.065 0.000 0.992 400 V HN 0.712 nan 8.190 nan 0.000 0.426 401 M N 5.053 124.670 119.600 0.027 0.000 2.465 401 M HA 0.679 5.159 4.480 -0.000 0.000 0.316 401 M C -0.519 175.797 176.300 0.026 0.000 1.121 401 M CA -0.363 54.949 55.300 0.019 0.000 0.934 401 M CB 2.499 35.104 32.600 0.008 0.000 1.692 401 M HN 0.567 nan 8.290 nan 0.000 0.444 402 R N 1.435 121.947 120.500 0.020 0.000 2.651 402 R HA 0.461 4.801 4.340 -0.000 0.000 0.278 402 R C -1.123 175.184 176.300 0.011 0.000 1.010 402 R CA -0.799 55.313 56.100 0.020 0.000 0.896 402 R CB 1.993 32.306 30.300 0.021 0.000 1.211 402 R HN 0.662 nan 8.270 nan 0.000 0.456 403 K N 1.876 122.282 120.400 0.010 0.000 2.440 403 K HA -0.021 4.299 4.320 -0.000 0.000 0.270 403 K C -0.384 176.212 176.600 -0.007 0.000 0.980 403 K CA 0.031 56.318 56.287 -0.000 0.000 0.953 403 K CB 0.353 32.854 32.500 0.001 0.000 0.925 403 K HN 0.251 nan 8.250 nan 0.000 0.497 404 L N 4.789 126.000 121.223 -0.020 0.000 2.272 404 L HA 0.073 4.413 4.340 -0.000 0.000 0.284 404 L C 0.434 177.293 176.870 -0.018 0.000 1.045 404 L CA 0.368 55.195 54.840 -0.021 0.000 0.842 404 L CB -0.256 41.782 42.059 -0.035 0.000 1.224 404 L HN 0.744 nan 8.230 nan 0.000 0.430 405 K N 2.637 123.031 120.400 -0.010 0.000 1.783 405 K HA -0.381 3.939 4.320 -0.000 0.000 0.115 405 K C 0.389 176.983 176.600 -0.009 0.000 1.071 405 K CA 1.336 57.618 56.287 -0.008 0.000 0.377 405 K CB -1.683 30.812 32.500 -0.008 0.000 0.613 405 K HN 0.717 nan 8.250 nan 0.000 0.922 406 D N 0.000 120.394 120.400 -0.010 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.994 54.000 -0.010 0.000 0.868 406 D CB 0.000 40.792 40.800 -0.014 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683