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 2vba_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.613 32.600 0.022 0.000 1.302 2 K N 3.364 123.770 120.400 0.010 0.000 2.436 2 K HA 0.256 4.576 4.320 -0.000 0.000 0.275 2 K C -0.609 175.993 176.600 0.005 0.000 0.999 2 K CA 0.176 56.467 56.287 0.006 0.000 0.980 2 K CB 0.350 32.850 32.500 0.001 0.000 0.919 2 K HN 0.663 nan 8.250 nan 0.000 0.484 3 R N 0.530 121.031 120.500 0.001 0.000 2.540 3 R HA 0.537 4.877 4.340 -0.000 0.000 0.287 3 R C -0.420 175.873 176.300 -0.011 0.000 0.980 3 R CA -0.650 55.449 56.100 -0.001 0.000 0.966 3 R CB 1.611 31.910 30.300 -0.000 0.000 1.106 3 R HN 0.649 nan 8.270 nan 0.000 0.480 4 A N 2.172 124.982 122.820 -0.016 0.000 2.331 4 A HA 0.631 4.951 4.320 -0.000 0.000 0.320 4 A C -0.484 177.081 177.584 -0.032 0.000 1.138 4 A CA -0.675 51.342 52.037 -0.033 0.000 0.790 4 A CB 1.148 20.122 19.000 -0.043 0.000 1.206 4 A HN 0.528 nan 8.150 nan 0.000 0.470 5 V N 0.088 119.979 119.914 -0.039 0.000 3.074 5 V HA 0.757 4.877 4.120 -0.000 0.000 0.314 5 V C -0.497 175.577 176.094 -0.034 0.000 1.117 5 V CA -0.964 61.318 62.300 -0.031 0.000 1.014 5 V CB 1.664 33.469 31.823 -0.030 0.000 1.057 5 V HN 0.689 nan 8.190 nan 0.000 0.438 6 I N 2.437 123.005 120.570 -0.002 0.000 2.321 6 I HA 0.470 4.640 4.170 -0.000 0.000 0.291 6 I C 0.977 177.171 176.117 0.128 0.000 0.998 6 I CA 0.015 61.330 61.300 0.024 0.000 1.227 6 I CB 1.992 39.998 38.000 0.009 0.000 1.368 6 I HN 0.979 nan 8.210 nan 0.000 0.466 7 T N 0.571 115.188 114.554 0.106 0.000 3.043 7 T HA 0.451 4.801 4.350 -0.000 0.000 0.272 7 T C 0.354 175.207 174.700 0.254 0.000 0.990 7 T CA -0.361 61.821 62.100 0.137 0.000 0.897 7 T CB 0.506 69.395 68.868 0.034 0.000 1.111 7 T HN 0.758 nan 8.240 nan 0.000 0.529 8 G N 0.797 109.752 108.800 0.257 0.000 2.616 8 G HA2 0.584 4.544 3.960 -0.000 0.000 0.294 8 G HA3 0.584 4.544 3.960 -0.000 0.000 0.294 8 G C -2.058 172.872 174.900 0.050 0.000 1.489 8 G CA -0.964 44.281 45.100 0.242 0.000 0.836 8 G HN 0.342 nan 8.290 nan 0.000 0.527 9 L N -0.034 121.190 121.223 0.002 0.000 2.376 9 L HA 0.965 5.305 4.340 -0.000 0.000 0.258 9 L C 0.298 177.135 176.870 -0.056 0.000 1.013 9 L CA -1.005 53.767 54.840 -0.113 0.000 0.822 9 L CB 2.654 44.557 42.059 -0.259 0.000 1.388 9 L HN 0.951 nan 8.230 nan 0.000 0.413 10 G N 0.940 109.697 108.800 -0.072 0.000 2.733 10 G HA2 0.766 4.726 3.960 -0.000 0.000 0.297 10 G HA3 0.766 4.726 3.960 -0.000 0.000 0.297 10 G C -2.124 172.742 174.900 -0.057 0.000 1.422 10 G CA -0.427 44.642 45.100 -0.051 0.000 0.942 10 G HN 0.609 nan 8.290 nan 0.000 0.510 11 I N 0.567 121.116 120.570 -0.035 0.000 2.785 11 I HA 0.559 4.729 4.170 -0.000 0.000 0.293 11 I C -1.577 174.526 176.117 -0.024 0.000 1.446 11 I CA -0.836 60.441 61.300 -0.039 0.000 1.028 11 I CB 2.256 40.232 38.000 -0.039 0.000 1.349 11 I HN 0.387 nan 8.210 nan 0.000 0.438 12 V N 6.367 126.252 119.914 -0.047 0.000 2.409 12 V HA 0.662 4.782 4.120 -0.000 0.000 0.290 12 V C -0.328 175.673 176.094 -0.156 0.000 1.017 12 V CA -0.222 62.025 62.300 -0.088 0.000 0.841 12 V CB 1.497 33.270 31.823 -0.082 0.000 1.003 12 V HN 0.804 nan 8.190 nan 0.000 0.426 13 S N 2.305 117.938 115.700 -0.111 0.000 2.661 13 S HA 0.440 4.910 4.470 -0.000 0.000 0.285 13 S C 1.075 175.617 174.600 -0.098 0.000 1.138 13 S CA 0.089 58.239 58.200 -0.083 0.000 0.855 13 S CB 1.857 65.095 63.200 0.063 0.000 1.136 13 S HN 0.942 nan 8.310 nan 0.000 0.484 14 S N 0.581 116.230 115.700 -0.085 0.000 2.469 14 S HA -0.106 4.364 4.470 -0.000 0.000 0.238 14 S C 1.431 176.001 174.600 -0.051 0.000 0.998 14 S CA 1.146 59.298 58.200 -0.081 0.000 0.957 14 S CB -1.156 62.008 63.200 -0.061 0.000 0.764 14 S HN 1.077 nan 8.310 nan 0.000 0.514 15 I N -2.634 117.912 120.570 -0.039 0.000 3.941 15 I HA 0.674 4.844 4.170 -0.000 0.000 0.335 15 I C 0.598 176.694 176.117 -0.035 0.000 1.402 15 I CA -0.342 60.927 61.300 -0.050 0.000 1.112 15 I CB 0.245 38.184 38.000 -0.102 0.000 1.043 15 I HN 0.303 nan 8.210 nan 0.000 0.395 16 G N 0.975 109.761 108.800 -0.024 0.000 2.376 16 G HA2 0.042 4.002 3.960 -0.000 0.000 0.302 16 G HA3 0.042 4.002 3.960 -0.000 0.000 0.302 16 G C -0.910 173.980 174.900 -0.017 0.000 1.586 16 G CA -0.631 44.459 45.100 -0.017 0.000 0.907 16 G HN -0.019 nan 8.290 nan 0.000 0.655 17 N N 0.137 118.828 118.700 -0.015 0.000 2.270 17 N HA 0.131 4.871 4.740 -0.000 0.000 0.198 17 N C 0.321 175.832 175.510 0.001 0.000 1.117 17 N CA 0.588 53.630 53.050 -0.013 0.000 0.845 17 N CB 0.291 38.774 38.487 -0.006 0.000 0.980 17 N HN 0.806 nan 8.380 nan 0.000 0.486 18 N N -1.605 117.097 118.700 0.005 0.000 3.116 18 N HA -0.021 4.719 4.740 -0.000 0.000 0.244 18 N C 0.366 175.887 175.510 0.018 0.000 1.485 18 N CA -0.634 52.423 53.050 0.011 0.000 0.884 18 N CB 0.439 38.934 38.487 0.012 0.000 1.415 18 N HN -0.137 nan 8.380 nan 0.000 0.524 19 Q N -1.073 118.742 119.800 0.025 0.000 2.224 19 Q HA -0.096 4.244 4.340 -0.000 0.000 0.203 19 Q C 0.713 176.726 176.000 0.022 0.000 0.970 19 Q CA 1.502 57.328 55.803 0.039 0.000 0.865 19 Q CB -0.304 28.467 28.738 0.055 0.000 0.922 19 Q HN 0.647 nan 8.270 nan 0.000 0.445 20 Q N 1.286 121.090 119.800 0.006 0.000 2.046 20 Q HA -0.116 4.223 4.340 -0.000 0.000 0.200 20 Q C 1.810 177.786 176.000 -0.040 0.000 0.975 20 Q CA 1.887 57.674 55.803 -0.026 0.000 0.836 20 Q CB 0.049 28.776 28.738 -0.019 0.000 0.896 20 Q HN 0.547 nan 8.270 nan 0.000 0.428 21 E N -0.204 119.982 120.200 -0.023 0.000 2.077 21 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 21 E C 2.037 178.618 176.600 -0.032 0.000 0.989 21 E CA 1.271 57.654 56.400 -0.029 0.000 0.800 21 E CB -0.038 29.650 29.700 -0.019 0.000 0.746 21 E HN 0.111 nan 8.360 nan 0.000 0.452 22 V N 1.601 121.512 119.914 -0.005 0.000 2.295 22 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 22 V C 2.339 178.427 176.094 -0.011 0.000 1.049 22 V CA 1.524 63.832 62.300 0.012 0.000 1.024 22 V CB -0.428 31.459 31.823 0.107 0.000 0.648 22 V HN 0.237 nan 8.190 nan 0.000 0.447 23 L N 1.009 122.223 121.223 -0.016 0.000 2.012 23 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 23 L C 2.433 179.211 176.870 -0.153 0.000 1.073 23 L CA 2.561 57.362 54.840 -0.065 0.000 0.748 23 L CB -1.030 40.925 42.059 -0.174 0.000 0.891 23 L HN 0.229 nan 8.230 nan 0.000 0.431 24 A N -1.535 121.200 122.820 -0.141 0.000 1.902 24 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 24 A C 2.388 179.895 177.584 -0.128 0.000 1.181 24 A CA 2.025 53.972 52.037 -0.149 0.000 0.623 24 A CB -0.991 17.944 19.000 -0.108 0.000 0.818 24 A HN 0.550 nan 8.150 nan 0.000 0.443 25 S N -0.155 115.486 115.700 -0.097 0.000 2.368 25 S HA -0.070 4.400 4.470 -0.000 0.000 0.224 25 S C 1.832 176.374 174.600 -0.096 0.000 1.029 25 S CA 1.360 59.505 58.200 -0.091 0.000 0.988 25 S CB -0.454 62.692 63.200 -0.090 0.000 0.838 25 S HN 0.503 nan 8.310 nan 0.000 0.462 26 L N 0.934 122.106 121.223 -0.086 0.000 2.042 26 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 26 L C 2.710 179.591 176.870 0.018 0.000 1.076 26 L CA 1.333 56.168 54.840 -0.008 0.000 0.749 26 L CB -0.434 41.718 42.059 0.155 0.000 0.893 26 L HN 0.224 nan 8.230 nan 0.000 0.432 27 R N -0.542 119.849 120.500 -0.181 0.000 2.115 27 R HA -0.124 4.216 4.340 -0.000 0.000 0.230 27 R C 2.171 178.379 176.300 -0.153 0.000 1.111 27 R CA 1.321 57.225 56.100 -0.327 0.000 0.976 27 R CB -0.151 29.830 30.300 -0.531 0.000 0.870 27 R HN 0.225 nan 8.270 nan 0.000 0.445 28 E N -0.690 119.440 120.200 -0.118 0.000 2.435 28 E HA 0.063 4.413 4.350 -0.000 0.000 0.195 28 E C 0.968 177.538 176.600 -0.050 0.000 1.029 28 E CA 0.421 56.773 56.400 -0.079 0.000 0.865 28 E CB 0.465 30.120 29.700 -0.075 0.000 0.833 28 E HN 0.695 nan 8.360 nan 0.000 0.510 29 G N 2.054 110.829 108.800 -0.043 0.000 2.249 29 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.273 29 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.273 29 G C 0.247 175.123 174.900 -0.040 0.000 1.036 29 G CA 0.681 45.761 45.100 -0.032 0.000 0.824 29 G HN 0.412 nan 8.290 nan 0.000 0.504 30 R N 0.241 120.710 120.500 -0.052 0.000 2.340 30 R HA 0.495 4.835 4.340 -0.000 0.000 0.300 30 R C 0.765 177.038 176.300 -0.045 0.000 1.069 30 R CA 0.244 56.318 56.100 -0.044 0.000 0.984 30 R CB 0.554 30.826 30.300 -0.047 0.000 1.003 30 R HN 0.253 nan 8.270 nan 0.000 0.459 31 S N 2.034 117.717 115.700 -0.027 0.000 2.565 31 S HA 0.222 4.692 4.470 -0.000 0.000 0.276 31 S C 0.915 175.510 174.600 -0.009 0.000 1.326 31 S CA -0.198 57.991 58.200 -0.018 0.000 1.045 31 S CB 1.170 64.371 63.200 0.000 0.000 0.918 31 S HN 0.795 nan 8.310 nan 0.000 0.505 32 G N 3.945 112.740 108.800 -0.008 0.000 3.337 32 G HA2 0.237 4.197 3.960 -0.000 0.000 0.246 32 G HA3 0.237 4.197 3.960 -0.000 0.000 0.246 32 G C 0.075 175.001 174.900 0.043 0.000 1.131 32 G CA -0.223 44.878 45.100 0.002 0.000 0.773 32 G HN 0.597 nan 8.290 nan 0.000 0.544 33 I N 2.393 123.004 120.570 0.068 0.000 2.353 33 I HA 0.405 4.575 4.170 -0.000 0.000 0.293 33 I C 0.517 176.734 176.117 0.166 0.000 0.992 33 I CA -0.546 60.831 61.300 0.128 0.000 1.268 33 I CB 0.682 38.750 38.000 0.113 0.000 1.387 33 I HN 0.053 nan 8.210 nan 0.000 0.478 34 T N 2.472 117.182 114.554 0.261 0.000 2.901 34 T HA 0.538 4.888 4.350 -0.000 0.000 0.293 34 T C -0.450 174.409 174.700 0.266 0.000 1.084 34 T CA -0.729 61.533 62.100 0.271 0.000 1.008 34 T CB 1.784 70.828 68.868 0.294 0.000 1.170 34 T HN 0.210 nan 8.240 nan 0.000 0.509 35 F N 1.811 121.812 119.950 0.084 0.000 2.529 35 F HA 0.507 5.034 4.527 -0.000 0.000 0.365 35 F C 0.507 176.217 175.800 -0.150 0.000 1.102 35 F CA -0.079 57.913 58.000 -0.013 0.000 1.271 35 F CB 0.732 39.734 39.000 0.004 0.000 1.120 35 F HN 0.680 nan 8.300 nan 0.000 0.579 36 S N 4.993 119.855 115.700 -1.397 0.000 2.594 36 S HA 0.193 4.663 4.470 -0.000 0.000 0.322 36 S C 0.578 174.252 174.600 -1.543 0.000 1.085 36 S CA -0.686 56.588 58.200 -1.544 0.000 1.116 36 S CB 1.236 63.104 63.200 -2.220 0.000 0.979 36 S HN 0.886 nan 8.310 nan 0.000 0.465 37 Q N 3.423 122.609 119.800 -1.023 0.000 2.170 37 Q HA -0.122 4.218 4.340 -0.000 0.000 0.203 37 Q C 1.771 177.513 176.000 -0.431 0.000 0.976 37 Q CA 2.326 57.816 55.803 -0.521 0.000 0.858 37 Q CB -0.152 28.522 28.738 -0.107 0.000 0.907 37 Q HN 0.916 nan 8.270 nan 0.000 0.433 38 E N -0.537 119.403 120.200 -0.433 0.000 2.051 38 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 38 E C 1.820 178.243 176.600 -0.295 0.000 0.991 38 E CA 1.293 57.538 56.400 -0.259 0.000 0.799 38 E CB -0.190 29.469 29.700 -0.068 0.000 0.748 38 E HN 0.467 nan 8.360 nan 0.000 0.449 39 L N 0.600 121.541 121.223 -0.471 0.000 2.046 39 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 39 L C 2.874 179.584 176.870 -0.266 0.000 1.077 39 L CA 1.496 56.175 54.840 -0.267 0.000 0.747 39 L CB -0.506 41.378 42.059 -0.291 0.000 0.896 39 L HN 0.151 nan 8.230 nan 0.000 0.432 40 K N 0.253 120.371 120.400 -0.470 0.000 2.026 40 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 40 K C 1.673 178.065 176.600 -0.347 0.000 1.048 40 K CA 1.815 57.740 56.287 -0.604 0.000 0.929 40 K CB 0.014 32.073 32.500 -0.734 0.000 0.713 40 K HN 0.196 nan 8.250 nan 0.000 0.439 41 D N -0.023 120.198 120.400 -0.298 0.000 2.218 41 D HA -0.117 4.523 4.640 -0.000 0.000 0.204 41 D C 1.839 177.964 176.300 -0.292 0.000 0.976 41 D CA 1.396 55.249 54.000 -0.246 0.000 0.853 41 D CB -0.076 40.592 40.800 -0.219 0.000 0.939 41 D HN 0.343 nan 8.370 nan 0.000 0.481 42 S N -1.039 114.453 115.700 -0.347 0.000 2.522 42 S HA 0.154 4.624 4.470 -0.000 0.000 0.227 42 S C 1.745 176.189 174.600 -0.259 0.000 0.986 42 S CA 0.934 58.854 58.200 -0.466 0.000 0.929 42 S CB 0.301 63.209 63.200 -0.487 0.000 0.769 42 S HN 0.302 nan 8.310 nan 0.000 0.529 43 G N 0.509 109.215 108.800 -0.156 0.000 2.179 43 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 43 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.220 43 G C 0.033 174.941 174.900 0.013 0.000 0.990 43 G CA 0.026 45.085 45.100 -0.068 0.000 0.646 43 G HN 0.476 nan 8.290 nan 0.000 0.517 44 M N -0.261 119.363 119.600 0.039 0.000 2.232 44 M HA 0.352 4.832 4.480 -0.000 0.000 0.321 44 M C 1.877 178.289 176.300 0.187 0.000 1.101 44 M CA 0.253 55.619 55.300 0.110 0.000 1.181 44 M CB 0.443 33.119 32.600 0.126 0.000 1.432 44 M HN 0.186 nan 8.290 nan 0.000 0.457 45 R N -0.277 120.278 120.500 0.092 0.000 2.173 45 R HA 0.089 4.429 4.340 -0.000 0.000 0.208 45 R C 0.483 176.651 176.300 -0.221 0.000 1.035 45 R CA 0.233 56.319 56.100 -0.024 0.000 1.004 45 R CB 0.218 30.496 30.300 -0.036 0.000 0.917 45 R HN 0.562 nan 8.270 nan 0.000 0.462 46 S N 0.463 116.125 115.700 -0.064 0.000 2.452 46 S HA 0.131 4.601 4.470 -0.000 0.000 0.284 46 S C -0.173 174.454 174.600 0.045 0.000 1.171 46 S CA -0.576 57.575 58.200 -0.080 0.000 1.064 46 S CB 0.318 63.505 63.200 -0.022 0.000 0.967 46 S HN 0.341 nan 8.310 nan 0.000 0.484 47 H N 2.964 122.007 119.070 -0.045 0.000 2.475 47 H HA 0.358 4.914 4.556 -0.000 0.000 0.276 47 H C -0.126 175.057 175.328 -0.242 0.000 1.126 47 H CA -0.648 55.297 56.048 -0.172 0.000 1.023 47 H CB 0.493 30.245 29.762 -0.016 0.000 1.669 47 H HN 0.449 nan 8.280 nan 0.000 0.573 48 V N -1.783 118.116 119.914 -0.024 0.000 2.962 48 V HA 0.644 4.764 4.120 -0.000 0.000 0.313 48 V C -1.402 174.783 176.094 0.152 0.000 1.099 48 V CA -0.960 61.358 62.300 0.030 0.000 0.971 48 V CB 2.264 34.166 31.823 0.131 0.000 1.028 48 V HN 0.403 nan 8.190 nan 0.000 0.430 49 W N 1.129 122.449 121.300 0.034 0.000 3.146 49 W HA 0.808 5.468 4.660 -0.000 0.000 0.319 49 W C -0.316 176.222 176.519 0.031 0.000 1.258 49 W CA -1.686 55.679 57.345 0.033 0.000 1.189 49 W CB 0.876 30.349 29.460 0.020 0.000 1.412 49 W HN 1.051 nan 8.180 nan 0.000 0.567 50 G N 3.579 112.484 108.800 0.174 0.000 2.857 50 G HA2 0.316 4.276 3.960 -0.000 0.000 0.326 50 G HA3 0.316 4.276 3.960 -0.000 0.000 0.326 50 G C -0.281 174.496 174.900 -0.206 0.000 0.950 50 G CA -0.610 44.497 45.100 0.011 0.000 1.400 50 G HN 0.568 nan 8.290 nan 0.000 0.473 51 N N 0.946 119.442 118.700 -0.339 0.000 2.515 51 N HA 0.207 4.947 4.740 -0.000 0.000 0.279 51 N C -0.265 175.060 175.510 -0.308 0.000 1.164 51 N CA -0.602 52.116 53.050 -0.554 0.000 0.982 51 N CB 1.879 39.917 38.487 -0.748 0.000 1.170 51 N HN -0.035 nan 8.380 nan 0.000 0.474 52 V N 1.363 121.077 119.914 -0.335 0.000 2.488 52 V HA 0.093 4.213 4.120 -0.000 0.000 0.277 52 V C 0.582 176.592 176.094 -0.140 0.000 1.046 52 V CA -0.306 61.833 62.300 -0.269 0.000 0.986 52 V CB 0.097 31.649 31.823 -0.451 0.000 0.989 52 V HN 0.610 nan 8.190 nan 0.000 0.475 53 K N 5.566 125.914 120.400 -0.086 0.000 2.385 53 K HA 0.563 4.883 4.320 -0.000 0.000 0.229 53 K C -1.008 175.585 176.600 -0.011 0.000 1.089 53 K CA -0.265 56.005 56.287 -0.030 0.000 1.060 53 K CB 0.552 33.044 32.500 -0.013 0.000 1.698 53 K HN 0.408 nan 8.250 nan 0.000 0.469 54 L N 1.022 122.248 121.223 0.004 0.000 2.543 54 L HA 0.297 4.637 4.340 -0.000 0.000 0.265 54 L C -1.734 175.163 176.870 0.046 0.000 0.945 54 L CA -0.566 54.289 54.840 0.025 0.000 0.869 54 L CB 1.891 43.969 42.059 0.031 0.000 1.294 54 L HN 0.205 nan 8.230 nan 0.000 0.405 55 D N 2.186 122.609 120.400 0.039 0.000 2.352 55 D HA 0.198 4.838 4.640 -0.000 0.000 0.245 55 D C 0.951 177.275 176.300 0.040 0.000 1.224 55 D CA 0.441 54.464 54.000 0.038 0.000 0.879 55 D CB 1.287 42.104 40.800 0.028 0.000 1.057 55 D HN 0.691 nan 8.370 nan 0.000 0.491 56 T N -0.061 114.520 114.554 0.045 0.000 3.129 56 T HA 0.026 4.376 4.350 -0.000 0.000 0.251 56 T C 0.775 175.477 174.700 0.004 0.000 1.117 56 T CA -0.293 61.830 62.100 0.038 0.000 1.034 56 T CB -0.432 68.463 68.868 0.046 0.000 0.968 56 T HN 0.249 nan 8.240 nan 0.000 0.526 57 T N 2.507 117.061 114.554 -0.000 0.000 2.871 57 T HA 0.396 4.746 4.350 -0.000 0.000 0.296 57 T C 1.555 176.244 174.700 -0.019 0.000 0.998 57 T CA 0.810 62.900 62.100 -0.017 0.000 1.162 57 T CB 0.033 68.895 68.868 -0.010 0.000 0.947 57 T HN 0.739 nan 8.240 nan 0.000 0.536 58 G N 2.604 111.382 108.800 -0.037 0.000 2.184 58 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.264 58 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.264 58 G C 0.836 175.721 174.900 -0.025 0.000 0.975 58 G CA 0.325 45.404 45.100 -0.035 0.000 0.642 58 G HN 0.692 nan 8.290 nan 0.000 0.536 59 L N -0.395 120.818 121.223 -0.017 0.000 2.395 59 L HA 0.355 4.695 4.340 -0.000 0.000 0.218 59 L C 1.223 178.096 176.870 0.005 0.000 1.130 59 L CA 0.707 55.556 54.840 0.015 0.000 0.826 59 L CB -0.034 42.053 42.059 0.047 0.000 0.941 59 L HN 0.293 nan 8.230 nan 0.000 0.451 60 I N -1.019 119.500 120.570 -0.086 0.000 2.509 60 I HA 0.210 4.380 4.170 -0.000 0.000 0.293 60 I C -0.647 175.356 176.117 -0.190 0.000 1.020 60 I CA -1.008 60.166 61.300 -0.210 0.000 1.088 60 I CB 2.013 39.740 38.000 -0.454 0.000 1.267 60 I HN -0.165 nan 8.210 nan 0.000 0.430 61 D N 3.114 123.409 120.400 -0.175 0.000 2.472 61 D HA -0.049 4.591 4.640 -0.000 0.000 0.237 61 D C 1.345 177.543 176.300 -0.169 0.000 1.141 61 D CA 0.132 54.052 54.000 -0.133 0.000 0.875 61 D CB 1.050 41.790 40.800 -0.101 0.000 1.192 61 D HN 0.375 nan 8.370 nan 0.000 0.450 62 R N 2.289 122.704 120.500 -0.142 0.000 2.103 62 R HA -0.180 4.160 4.340 -0.000 0.000 0.242 62 R C 2.005 178.180 176.300 -0.210 0.000 1.142 62 R CA 1.808 57.805 56.100 -0.172 0.000 0.960 62 R CB -0.650 29.570 30.300 -0.134 0.000 0.858 62 R HN 0.393 nan 8.270 nan 0.000 0.439 63 K N -0.517 119.794 120.400 -0.149 0.000 2.365 63 K HA 0.157 4.477 4.320 -0.000 0.000 0.199 63 K C 2.073 178.631 176.600 -0.069 0.000 1.045 63 K CA 1.054 57.267 56.287 -0.124 0.000 0.962 63 K CB -0.320 32.156 32.500 -0.039 0.000 0.759 63 K HN 0.455 nan 8.250 nan 0.000 0.469 64 V N -0.734 119.112 119.914 -0.112 0.000 2.492 64 V HA 0.011 4.131 4.120 -0.000 0.000 0.241 64 V C 2.039 178.029 176.094 -0.172 0.000 1.041 64 V CA 1.129 63.372 62.300 -0.094 0.000 1.057 64 V CB 0.048 31.727 31.823 -0.241 0.000 0.711 64 V HN 0.261 nan 8.190 nan 0.000 0.468 65 V N 2.255 121.991 119.914 -0.297 0.000 2.970 65 V HA -0.167 3.953 4.120 -0.000 0.000 0.260 65 V C 2.746 178.609 176.094 -0.385 0.000 1.100 65 V CA 1.895 63.997 62.300 -0.329 0.000 1.122 65 V CB -0.641 30.995 31.823 -0.311 0.000 0.721 65 V HN 0.696 nan 8.190 nan 0.000 0.483 66 R N -1.050 119.129 120.500 -0.535 0.000 2.193 66 R HA -0.132 4.208 4.340 -0.000 0.000 0.229 66 R C 1.751 177.450 176.300 -1.002 0.000 1.110 66 R CA 1.945 57.507 56.100 -0.896 0.000 0.988 66 R CB -0.680 28.872 30.300 -1.247 0.000 0.871 66 R HN 0.487 nan 8.270 nan 0.000 0.458 67 F N 0.803 120.492 119.950 -0.435 0.000 2.776 67 F HA 0.338 4.865 4.527 -0.000 0.000 0.300 67 F C 0.939 176.581 175.800 -0.263 0.000 1.116 67 F CA 0.077 57.923 58.000 -0.257 0.000 1.375 67 F CB 0.174 39.097 39.000 -0.127 0.000 1.109 67 F HN -0.109 nan 8.300 nan 0.000 0.585 68 M N -0.058 119.426 119.600 -0.193 0.000 2.404 68 M HA 0.296 4.776 4.480 -0.000 0.000 0.338 68 M C 0.466 176.578 176.300 -0.312 0.000 1.150 68 M CA -0.650 54.534 55.300 -0.194 0.000 1.016 68 M CB 1.747 34.233 32.600 -0.191 0.000 1.672 68 M HN 0.005 nan 8.290 nan 0.000 0.448 69 S N 0.368 115.932 115.700 -0.228 0.000 2.686 69 S HA 0.266 4.736 4.470 -0.000 0.000 0.270 69 S C 0.401 174.929 174.600 -0.121 0.000 1.194 69 S CA -0.686 57.439 58.200 -0.125 0.000 0.990 69 S CB 0.867 64.090 63.200 0.037 0.000 1.029 69 S HN 0.667 nan 8.310 nan 0.000 0.560 70 D N 0.941 121.276 120.400 -0.110 0.000 2.178 70 D HA -0.013 4.627 4.640 -0.000 0.000 0.201 70 D C 2.166 178.172 176.300 -0.490 0.000 0.980 70 D CA 1.645 55.394 54.000 -0.418 0.000 0.842 70 D CB -0.865 39.672 40.800 -0.439 0.000 0.948 70 D HN 0.671 nan 8.370 nan 0.000 0.472 71 A N 0.421 123.146 122.820 -0.159 0.000 1.908 71 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 71 A C 2.441 180.024 177.584 -0.003 0.000 1.181 71 A CA 1.866 53.896 52.037 -0.012 0.000 0.627 71 A CB -0.522 18.507 19.000 0.048 0.000 0.818 71 A HN 0.169 nan 8.150 nan 0.000 0.445 72 S N -0.372 115.308 115.700 -0.032 0.000 2.387 72 S HA -0.041 4.429 4.470 -0.000 0.000 0.226 72 S C 1.784 176.401 174.600 0.028 0.000 1.026 72 S CA 1.184 59.395 58.200 0.018 0.000 0.972 72 S CB -0.450 62.749 63.200 -0.002 0.000 0.814 72 S HN 0.540 nan 8.310 nan 0.000 0.477 73 I N 0.499 121.004 120.570 -0.108 0.000 2.127 73 I HA -0.237 3.933 4.170 -0.000 0.000 0.241 73 I C 2.054 178.223 176.117 0.086 0.000 1.075 73 I CA 1.436 62.679 61.300 -0.095 0.000 1.334 73 I CB -0.455 37.394 38.000 -0.252 0.000 1.040 73 I HN 0.268 nan 8.210 nan 0.000 0.405 74 Y N 0.749 121.087 120.300 0.064 0.000 2.200 74 Y HA -0.147 4.403 4.550 -0.000 0.000 0.290 74 Y C 2.643 178.584 175.900 0.069 0.000 1.137 74 Y CA 0.690 58.822 58.100 0.053 0.000 1.163 74 Y CB -1.333 37.136 38.460 0.016 0.000 0.988 74 Y HN 0.120 nan 8.280 nan 0.000 0.518 75 A N -0.363 122.595 122.820 0.229 0.000 1.902 75 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 75 A C 2.180 179.859 177.584 0.159 0.000 1.181 75 A CA 1.399 53.524 52.037 0.148 0.000 0.623 75 A CB -1.316 17.753 19.000 0.115 0.000 0.818 75 A HN 0.431 nan 8.150 nan 0.000 0.443 76 F N 0.615 120.618 119.950 0.089 0.000 2.102 76 F HA -0.131 4.396 4.527 -0.000 0.000 0.298 76 F C 1.907 177.791 175.800 0.141 0.000 1.105 76 F CA 1.744 59.836 58.000 0.153 0.000 1.239 76 F CB -0.265 38.798 39.000 0.105 0.000 0.991 76 F HN 0.136 nan 8.300 nan 0.000 0.474 77 L N -0.656 120.783 121.223 0.360 0.000 2.083 77 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 77 L C 2.510 179.419 176.870 0.064 0.000 1.083 77 L CA 1.446 56.421 54.840 0.226 0.000 0.752 77 L CB -0.921 41.276 42.059 0.229 0.000 0.899 77 L HN 0.091 nan 8.230 nan 0.000 0.433 78 S N -0.394 115.334 115.700 0.048 0.000 2.382 78 S HA -0.217 4.253 4.470 -0.000 0.000 0.228 78 S C 1.913 176.446 174.600 -0.112 0.000 1.027 78 S CA 1.552 59.739 58.200 -0.021 0.000 0.991 78 S CB -0.218 62.974 63.200 -0.013 0.000 0.823 78 S HN 0.358 nan 8.310 nan 0.000 0.469 79 M N 1.559 121.038 119.600 -0.202 0.000 2.132 79 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 79 M C 1.960 177.951 176.300 -0.515 0.000 1.065 79 M CA 1.460 56.487 55.300 -0.456 0.000 1.122 79 M CB -0.178 31.982 32.600 -0.732 0.000 1.365 79 M HN 0.221 nan 8.290 nan 0.000 0.411 80 E N -0.117 119.873 120.200 -0.350 0.000 2.058 80 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 80 E C 2.054 178.579 176.600 -0.124 0.000 0.997 80 E CA 1.800 58.088 56.400 -0.187 0.000 0.801 80 E CB -0.242 29.426 29.700 -0.053 0.000 0.746 80 E HN 0.689 nan 8.360 nan 0.000 0.450 81 Q N 0.066 119.816 119.800 -0.083 0.000 2.084 81 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 81 Q C 2.213 178.185 176.000 -0.047 0.000 0.978 81 Q CA 1.392 57.170 55.803 -0.041 0.000 0.844 81 Q CB -0.168 28.558 28.738 -0.020 0.000 0.898 81 Q HN 0.236 nan 8.270 nan 0.000 0.426 82 A N 0.762 123.531 122.820 -0.085 0.000 1.898 82 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 82 A C 2.031 179.602 177.584 -0.023 0.000 1.181 82 A CA 1.000 53.013 52.037 -0.041 0.000 0.620 82 A CB -0.571 18.406 19.000 -0.039 0.000 0.819 82 A HN 0.292 nan 8.150 nan 0.000 0.442 83 I N -0.196 120.294 120.570 -0.133 0.000 2.163 83 I HA -0.317 3.853 4.170 -0.000 0.000 0.243 83 I C 2.994 179.090 176.117 -0.034 0.000 1.085 83 I CA 1.197 62.411 61.300 -0.143 0.000 1.347 83 I CB -0.314 37.438 38.000 -0.413 0.000 1.044 83 I HN 0.368 nan 8.210 nan 0.000 0.408 84 A N 0.164 122.970 122.820 -0.024 0.000 1.877 84 A HA -0.300 4.020 4.320 -0.000 0.000 0.216 84 A C 2.006 179.612 177.584 0.036 0.000 1.186 84 A CA 2.308 54.357 52.037 0.019 0.000 0.620 84 A CB -0.761 18.250 19.000 0.018 0.000 0.822 84 A HN 0.447 nan 8.150 nan 0.000 0.443 85 D N -0.371 120.055 120.400 0.044 0.000 2.218 85 D HA 0.020 4.660 4.640 -0.000 0.000 0.204 85 D C 1.791 178.157 176.300 0.110 0.000 0.976 85 D CA 1.280 55.330 54.000 0.083 0.000 0.853 85 D CB -0.126 40.744 40.800 0.118 0.000 0.939 85 D HN 0.348 nan 8.370 nan 0.000 0.481 86 A N -0.753 122.123 122.820 0.094 0.000 2.169 86 A HA 0.394 4.714 4.320 -0.000 0.000 0.212 86 A C 1.858 179.488 177.584 0.076 0.000 1.153 86 A CA 1.015 53.109 52.037 0.095 0.000 0.756 86 A CB -0.474 18.567 19.000 0.068 0.000 0.813 86 A HN 0.433 nan 8.150 nan 0.000 0.471 87 G N -1.146 107.694 108.800 0.066 0.000 2.160 87 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.244 87 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.244 87 G C -0.049 174.901 174.900 0.084 0.000 1.022 87 G CA 0.346 45.483 45.100 0.062 0.000 0.741 87 G HN 0.442 nan 8.290 nan 0.000 0.508 88 L N 0.815 122.102 121.223 0.107 0.000 2.307 88 L HA 0.666 5.006 4.340 -0.000 0.000 0.282 88 L C 0.562 177.584 176.870 0.254 0.000 1.051 88 L CA -0.566 54.384 54.840 0.183 0.000 0.804 88 L CB 1.789 43.973 42.059 0.208 0.000 1.197 88 L HN 0.159 nan 8.230 nan 0.000 0.431 89 S N 2.250 118.111 115.700 0.268 0.000 2.648 89 S HA 0.414 4.884 4.470 -0.000 0.000 0.305 89 S C -1.888 172.790 174.600 0.129 0.000 1.094 89 S CA -1.105 57.229 58.200 0.224 0.000 0.983 89 S CB 2.069 65.331 63.200 0.104 0.000 1.101 89 S HN 0.376 nan 8.310 nan 0.000 0.514 90 P HA -0.194 nan 4.420 nan 0.000 0.216 90 P C 1.495 178.585 177.300 -0.349 0.000 1.154 90 P CA 0.912 63.731 63.100 -0.469 0.000 0.865 90 P CB 0.125 31.684 31.700 -0.235 0.000 0.789 91 E N -0.156 119.958 120.200 -0.144 0.000 2.171 91 E HA -0.224 4.126 4.350 -0.000 0.000 0.197 91 E C 1.659 178.218 176.600 -0.068 0.000 0.997 91 E CA 1.755 58.100 56.400 -0.092 0.000 0.810 91 E CB -0.376 29.302 29.700 -0.038 0.000 0.738 91 E HN 0.158 nan 8.360 nan 0.000 0.467 92 A N -0.224 122.583 122.820 -0.023 0.000 1.984 92 A HA -0.063 4.257 4.320 -0.000 0.000 0.214 92 A C 1.727 179.380 177.584 0.115 0.000 1.173 92 A CA 0.973 53.052 52.037 0.071 0.000 0.673 92 A CB -0.372 18.714 19.000 0.143 0.000 0.830 92 A HN 0.487 nan 8.150 nan 0.000 0.453 93 Y N -1.382 118.961 120.300 0.072 0.000 2.444 93 Y HA 0.450 5.000 4.550 -0.000 0.000 0.252 93 Y C 0.684 176.618 175.900 0.057 0.000 1.091 93 Y CA -0.606 57.555 58.100 0.102 0.000 1.276 93 Y CB -0.157 38.430 38.460 0.213 0.000 1.170 93 Y HN 0.170 nan 8.280 nan 0.000 0.517 94 Q N 1.819 121.325 119.800 -0.489 0.000 2.259 94 Q HA 0.209 4.549 4.340 -0.000 0.000 0.246 94 Q C -0.289 175.529 176.000 -0.305 0.000 0.920 94 Q CA -0.511 55.076 55.803 -0.361 0.000 0.895 94 Q CB 0.580 29.055 28.738 -0.439 0.000 1.220 94 Q HN 0.347 nan 8.270 nan 0.000 0.439 95 N N 1.771 120.173 118.700 -0.495 0.000 2.721 95 N HA -0.195 4.545 4.740 -0.000 0.000 0.249 95 N C -1.213 174.062 175.510 -0.392 0.000 1.072 95 N CA 0.804 53.342 53.050 -0.853 0.000 0.710 95 N CB -1.121 37.113 38.487 -0.421 0.000 0.993 95 N HN 0.569 nan 8.380 nan 0.000 0.547 96 N N -0.064 118.516 118.700 -0.200 0.000 2.531 96 N HA 0.345 5.085 4.740 -0.000 0.000 0.268 96 N C -2.089 173.472 175.510 0.087 0.000 1.023 96 N CA -1.851 51.196 53.050 -0.006 0.000 0.896 96 N CB 1.564 40.056 38.487 0.009 0.000 1.233 96 N HN -0.198 nan 8.380 nan 0.000 0.512 97 P HA -0.021 nan 4.420 nan 0.000 0.223 97 P C 0.622 177.958 177.300 0.060 0.000 1.144 97 P CA 0.916 64.086 63.100 0.117 0.000 0.783 97 P CB 0.346 32.100 31.700 0.090 0.000 0.771 98 R N -1.025 119.495 120.500 0.032 0.000 2.334 98 R HA 0.198 4.538 4.340 -0.000 0.000 0.220 98 R C -0.132 176.142 176.300 -0.044 0.000 0.917 98 R CA 0.136 56.227 56.100 -0.014 0.000 1.073 98 R CB 0.120 30.400 30.300 -0.033 0.000 1.056 98 R HN 0.139 nan 8.270 nan 0.000 0.506 99 V N 0.164 120.083 119.914 0.008 0.000 2.487 99 V HA 0.629 4.749 4.120 -0.000 0.000 0.298 99 V C 0.421 176.554 176.094 0.066 0.000 1.028 99 V CA -0.796 61.513 62.300 0.015 0.000 0.860 99 V CB 1.809 33.698 31.823 0.111 0.000 0.991 99 V HN 0.295 nan 8.190 nan 0.000 0.427 100 G N 3.075 111.889 108.800 0.022 0.000 3.042 100 G HA2 0.811 4.771 3.960 -0.000 0.000 0.278 100 G HA3 0.811 4.771 3.960 -0.000 0.000 0.278 100 G C -1.869 173.075 174.900 0.072 0.000 1.371 100 G CA -0.752 44.362 45.100 0.022 0.000 1.009 100 G HN 0.685 nan 8.290 nan 0.000 0.523 101 L N -0.378 120.839 121.223 -0.010 0.000 2.562 101 L HA 0.695 5.035 4.340 -0.000 0.000 0.266 101 L C -1.506 175.291 176.870 -0.121 0.000 0.949 101 L CA -0.499 54.346 54.840 0.009 0.000 0.879 101 L CB 1.677 43.760 42.059 0.039 0.000 1.278 101 L HN 0.446 nan 8.230 nan 0.000 0.404 102 I N 5.251 125.757 120.570 -0.106 0.000 2.476 102 I HA 0.829 4.999 4.170 -0.000 0.000 0.281 102 I C -0.474 175.631 176.117 -0.020 0.000 1.040 102 I CA -0.440 60.785 61.300 -0.125 0.000 1.094 102 I CB 1.692 39.597 38.000 -0.157 0.000 1.219 102 I HN 0.809 nan 8.210 nan 0.000 0.450 103 A N 4.339 127.171 122.820 0.020 0.000 2.540 103 A HA 0.925 5.245 4.320 -0.000 0.000 0.297 103 A C -0.709 176.913 177.584 0.063 0.000 1.056 103 A CA -0.427 51.632 52.037 0.036 0.000 0.700 103 A CB 1.789 20.803 19.000 0.024 0.000 1.280 103 A HN 0.758 nan 8.150 nan 0.000 0.398 104 G N -0.479 108.360 108.800 0.065 0.000 2.766 104 G HA2 0.739 4.699 3.960 -0.000 0.000 0.288 104 G HA3 0.739 4.699 3.960 -0.000 0.000 0.288 104 G C -0.838 174.102 174.900 0.067 0.000 1.408 104 G CA 0.127 45.273 45.100 0.076 0.000 0.852 104 G HN 1.392 nan 8.290 nan 0.000 0.487 105 S N -2.309 113.433 115.700 0.071 0.000 2.599 105 S HA 0.625 5.095 4.470 -0.000 0.000 0.287 105 S C 1.201 175.843 174.600 0.070 0.000 1.105 105 S CA 0.373 58.613 58.200 0.066 0.000 0.899 105 S CB 1.467 64.708 63.200 0.069 0.000 1.100 105 S HN 1.222 nan 8.310 nan 0.000 0.482 106 G N 0.881 109.719 108.800 0.064 0.000 2.430 106 G HA2 0.188 4.148 3.960 -0.000 0.000 0.216 106 G HA3 0.188 4.148 3.960 -0.000 0.000 0.216 106 G C 0.924 175.881 174.900 0.094 0.000 1.146 106 G CA 0.664 45.808 45.100 0.074 0.000 0.793 106 G HN 0.961 nan 8.290 nan 0.000 0.537 107 G N -1.290 107.566 108.800 0.094 0.000 3.274 107 G HA2 0.454 4.414 3.960 -0.000 0.000 0.250 107 G HA3 0.454 4.414 3.960 -0.000 0.000 0.250 107 G C 1.058 176.008 174.900 0.083 0.000 1.024 107 G CA 0.838 45.998 45.100 0.101 0.000 0.840 107 G HN 1.121 nan 8.290 nan 0.000 0.522 108 G N 0.327 109.174 108.800 0.078 0.000 2.557 108 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.292 108 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.292 108 G C 0.342 175.292 174.900 0.084 0.000 1.162 108 G CA 0.687 45.833 45.100 0.076 0.000 0.964 108 G HN 1.405 nan 8.290 nan 0.000 0.541 109 S N 1.532 117.290 115.700 0.097 0.000 2.383 109 S HA 0.644 5.114 4.470 -0.000 0.000 0.196 109 S C -1.304 173.350 174.600 0.090 0.000 1.364 109 S CA 0.036 58.308 58.200 0.120 0.000 1.212 109 S CB 1.708 65.043 63.200 0.226 0.000 1.171 109 S HN 0.303 nan 8.310 nan 0.000 0.456 110 P HA -0.120 nan 4.420 nan 0.000 0.218 110 P C 1.495 178.739 177.300 -0.093 0.000 1.148 110 P CA 0.735 63.820 63.100 -0.026 0.000 0.822 110 P CB 0.130 31.798 31.700 -0.054 0.000 0.784 111 R N -0.995 119.421 120.500 -0.140 0.000 2.073 111 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 111 R C 1.883 178.012 176.300 -0.285 0.000 1.134 111 R CA 1.668 57.596 56.100 -0.288 0.000 0.952 111 R CB -0.905 29.177 30.300 -0.365 0.000 0.850 111 R HN 0.075 nan 8.270 nan 0.000 0.433 112 F N 0.591 120.559 119.950 0.029 0.000 2.367 112 F HA 0.000 4.527 4.527 -0.000 0.000 0.298 112 F C 2.526 178.421 175.800 0.158 0.000 1.094 112 F CA 1.018 59.086 58.000 0.114 0.000 1.409 112 F CB -0.314 38.719 39.000 0.055 0.000 1.064 112 F HN 0.149 nan 8.300 nan 0.000 0.528 113 Q N 0.341 120.265 119.800 0.207 0.000 2.050 113 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 113 Q C 2.209 178.262 176.000 0.088 0.000 0.980 113 Q CA 1.831 57.716 55.803 0.137 0.000 0.840 113 Q CB -0.404 28.381 28.738 0.078 0.000 0.898 113 Q HN 0.240 nan 8.270 nan 0.000 0.424 114 V N 0.489 120.423 119.914 0.034 0.000 2.427 114 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 114 V C 1.938 178.050 176.094 0.030 0.000 1.051 114 V CA 1.755 64.057 62.300 0.003 0.000 1.048 114 V CB -0.785 30.994 31.823 -0.073 0.000 0.666 114 V HN 0.455 nan 8.190 nan 0.000 0.456 115 F N 2.243 122.154 119.950 -0.064 0.000 2.095 115 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 115 F C 2.183 178.012 175.800 0.048 0.000 1.104 115 F CA 1.922 59.907 58.000 -0.025 0.000 1.232 115 F CB -0.923 38.032 39.000 -0.075 0.000 0.987 115 F HN 0.135 nan 8.300 nan 0.000 0.475 116 G N -0.295 108.503 108.800 -0.004 0.000 2.446 116 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 116 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 116 G C 1.795 176.602 174.900 -0.156 0.000 1.168 116 G CA 0.940 45.987 45.100 -0.089 0.000 0.771 116 G HN 0.659 nan 8.290 nan 0.000 0.551 117 A N 0.851 123.625 122.820 -0.078 0.000 1.930 117 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 117 A C 2.094 179.620 177.584 -0.096 0.000 1.175 117 A CA 2.031 54.031 52.037 -0.062 0.000 0.627 117 A CB -0.331 18.657 19.000 -0.019 0.000 0.815 117 A HN 0.270 nan 8.150 nan 0.000 0.443 118 D N 0.223 120.547 120.400 -0.127 0.000 2.117 118 D HA -0.031 4.609 4.640 -0.000 0.000 0.198 118 D C 2.227 178.417 176.300 -0.183 0.000 0.982 118 D CA 1.496 55.425 54.000 -0.119 0.000 0.828 118 D CB -0.424 40.327 40.800 -0.083 0.000 0.967 118 D HN 0.410 nan 8.370 nan 0.000 0.464 119 A N 0.667 123.275 122.820 -0.354 0.000 1.877 119 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 119 A C 2.154 179.630 177.584 -0.181 0.000 1.186 119 A CA 1.720 53.552 52.037 -0.342 0.000 0.620 119 A CB -0.551 18.078 19.000 -0.617 0.000 0.822 119 A HN 0.168 nan 8.150 nan 0.000 0.443 120 M N -0.107 119.400 119.600 -0.155 0.000 2.159 120 M HA -0.081 4.399 4.480 -0.000 0.000 0.263 120 M C 1.843 178.107 176.300 -0.060 0.000 1.063 120 M CA 1.543 56.792 55.300 -0.084 0.000 1.110 120 M CB -0.391 32.172 32.600 -0.062 0.000 1.374 120 M HN 0.354 nan 8.290 nan 0.000 0.411 121 R N -0.028 120.435 120.500 -0.062 0.000 2.307 121 R HA 0.175 4.515 4.340 -0.000 0.000 0.199 121 R C 1.067 177.346 176.300 -0.034 0.000 1.000 121 R CA 0.326 56.403 56.100 -0.039 0.000 1.023 121 R CB -0.404 29.878 30.300 -0.031 0.000 0.908 121 R HN 0.481 nan 8.270 nan 0.000 0.473 122 G N 0.963 109.736 108.800 -0.045 0.000 2.543 122 G HA2 0.145 4.105 3.960 -0.000 0.000 0.290 122 G HA3 0.145 4.105 3.960 -0.000 0.000 0.290 122 G C -1.617 173.269 174.900 -0.024 0.000 1.310 122 G CA -1.006 44.075 45.100 -0.032 0.000 1.025 122 G HN -0.084 nan 8.290 nan 0.000 0.502 123 P HA 0.001 nan 4.420 nan 0.000 0.226 123 P C 1.247 178.541 177.300 -0.009 0.000 1.153 123 P CA 0.779 63.873 63.100 -0.010 0.000 0.777 123 P CB 0.307 32.005 31.700 -0.004 0.000 0.794 124 R N -1.027 119.466 120.500 -0.012 0.000 2.312 124 R HA 0.262 4.602 4.340 -0.000 0.000 0.205 124 R C 1.542 177.833 176.300 -0.014 0.000 0.904 124 R CA 0.473 56.568 56.100 -0.008 0.000 1.052 124 R CB -0.183 30.117 30.300 -0.000 0.000 1.014 124 R HN 0.133 nan 8.270 nan 0.000 0.503 125 G N 1.948 110.733 108.800 -0.025 0.000 2.634 125 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.309 125 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.309 125 G C 0.794 175.678 174.900 -0.026 0.000 1.265 125 G CA 0.437 45.520 45.100 -0.027 0.000 0.998 125 G HN 0.207 nan 8.290 nan 0.000 0.551 126 L N 0.596 121.809 121.223 -0.017 0.000 2.127 126 L HA -0.077 4.263 4.340 -0.000 0.000 0.211 126 L C 2.993 179.860 176.870 -0.005 0.000 1.089 126 L CA 2.118 56.950 54.840 -0.012 0.000 0.757 126 L CB -0.487 41.566 42.059 -0.010 0.000 0.899 126 L HN 0.529 nan 8.230 nan 0.000 0.434 127 K N 0.071 120.470 120.400 -0.003 0.000 2.148 127 K HA -0.090 4.230 4.320 -0.000 0.000 0.204 127 K C 2.223 178.838 176.600 0.026 0.000 1.050 127 K CA 1.213 57.505 56.287 0.008 0.000 0.942 127 K CB -0.183 32.321 32.500 0.007 0.000 0.724 127 K HN 0.286 nan 8.250 nan 0.000 0.446 128 A N 1.035 123.863 122.820 0.013 0.000 1.968 128 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 128 A C 2.332 179.942 177.584 0.044 0.000 1.169 128 A CA 0.909 52.961 52.037 0.024 0.000 0.638 128 A CB -0.397 18.585 19.000 -0.029 0.000 0.812 128 A HN 0.038 nan 8.150 nan 0.000 0.446 129 V N -0.467 119.449 119.914 0.002 0.000 2.295 129 V HA 0.161 4.281 4.120 -0.000 0.000 0.246 129 V C 1.677 177.889 176.094 0.197 0.000 1.049 129 V CA 1.242 63.571 62.300 0.048 0.000 1.024 129 V CB -1.918 29.913 31.823 0.012 0.000 0.648 129 V HN 1.235 nan 8.190 nan 0.000 0.447 130 G N 0.424 109.281 108.800 0.096 0.000 2.829 130 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.628 130 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.628 130 G C -1.656 173.214 174.900 -0.051 0.000 1.412 130 G CA -0.066 45.060 45.100 0.044 0.000 0.864 130 G HN 0.329 nan 8.290 nan 0.000 0.544 131 P HA 0.223 nan 4.420 nan 0.000 0.262 131 P C 0.267 177.317 177.300 -0.418 0.000 1.304 131 P CA 0.714 63.588 63.100 -0.377 0.000 0.859 131 P CB 0.056 31.443 31.700 -0.522 0.000 1.310 132 Y N -1.431 118.872 120.300 0.004 0.000 2.467 132 Y HA 0.116 4.666 4.550 -0.000 0.000 0.250 132 Y C 2.197 178.087 175.900 -0.017 0.000 1.155 132 Y CA -0.136 57.943 58.100 -0.034 0.000 1.249 132 Y CB -0.340 38.001 38.460 -0.198 0.000 1.146 132 Y HN -0.277 nan 8.280 nan 0.000 0.524 133 V N -1.266 118.739 119.914 0.152 0.000 2.548 133 V HA -0.201 3.919 4.120 -0.000 0.000 0.249 133 V C 2.068 178.235 176.094 0.121 0.000 1.055 133 V CA 1.423 63.818 62.300 0.158 0.000 1.065 133 V CB -0.643 31.328 31.823 0.246 0.000 0.681 133 V HN 0.224 nan 8.190 nan 0.000 0.462 134 V N 1.235 121.213 119.914 0.107 0.000 2.295 134 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 134 V C 2.827 178.972 176.094 0.084 0.000 1.049 134 V CA 2.599 64.952 62.300 0.088 0.000 1.024 134 V CB -1.337 30.528 31.823 0.070 0.000 0.648 134 V HN 0.811 nan 8.190 nan 0.000 0.447 135 T N -1.880 112.741 114.554 0.112 0.000 2.915 135 T HA -0.175 4.175 4.350 -0.000 0.000 0.269 135 T C 1.761 176.489 174.700 0.046 0.000 1.071 135 T CA 1.268 63.425 62.100 0.094 0.000 1.132 135 T CB -0.260 68.713 68.868 0.175 0.000 0.878 135 T HN 0.470 nan 8.240 nan 0.000 0.479 136 K N 1.204 121.604 120.400 0.001 0.000 2.076 136 K HA 0.281 4.601 4.320 -0.000 0.000 0.204 136 K C 2.578 179.197 176.600 0.032 0.000 1.051 136 K CA 1.114 57.344 56.287 -0.095 0.000 0.949 136 K CB -0.170 32.095 32.500 -0.392 0.000 0.726 136 K HN 0.438 nan 8.250 nan 0.000 0.443 137 A N 1.555 124.427 122.820 0.086 0.000 2.169 137 A HA 0.123 4.443 4.320 -0.000 0.000 0.210 137 A C 1.137 178.773 177.584 0.086 0.000 1.168 137 A CA -0.235 51.873 52.037 0.119 0.000 0.813 137 A CB -0.280 18.812 19.000 0.154 0.000 0.861 137 A HN 0.290 nan 8.150 nan 0.000 0.481 138 M N -1.910 117.732 119.600 0.070 0.000 2.226 138 M HA 0.558 5.038 4.480 -0.000 0.000 0.324 138 M C 0.986 177.322 176.300 0.059 0.000 1.112 138 M CA 0.364 55.700 55.300 0.059 0.000 1.176 138 M CB 0.618 33.248 32.600 0.051 0.000 1.430 138 M HN 0.017 nan 8.290 nan 0.000 0.462 139 A N 1.519 124.373 122.820 0.056 0.000 2.019 139 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 139 A C 2.005 179.627 177.584 0.063 0.000 1.164 139 A CA 1.936 54.008 52.037 0.059 0.000 0.644 139 A CB -0.991 18.041 19.000 0.054 0.000 0.805 139 A HN 0.997 nan 8.150 nan 0.000 0.449 140 S N -0.897 114.839 115.700 0.060 0.000 2.660 140 S HA 0.304 4.774 4.470 -0.000 0.000 0.227 140 S C 1.605 176.240 174.600 0.059 0.000 0.948 140 S CA 0.541 58.782 58.200 0.067 0.000 0.948 140 S CB -0.276 62.966 63.200 0.070 0.000 0.779 140 S HN 0.563 nan 8.310 nan 0.000 0.487 141 G N 2.110 110.942 108.800 0.053 0.000 2.469 141 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.219 141 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.219 141 G C 1.293 176.222 174.900 0.048 0.000 1.150 141 G CA 1.174 46.300 45.100 0.043 0.000 0.763 141 G HN 0.478 nan 8.290 nan 0.000 0.561 142 V N 1.757 121.706 119.914 0.058 0.000 2.343 142 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 142 V C 3.276 179.414 176.094 0.074 0.000 1.051 142 V CA 2.462 64.803 62.300 0.068 0.000 1.036 142 V CB -0.432 31.432 31.823 0.069 0.000 0.654 142 V HN 0.635 nan 8.190 nan 0.000 0.451 143 S N 0.761 116.502 115.700 0.069 0.000 2.371 143 S HA -0.051 4.419 4.470 -0.000 0.000 0.224 143 S C 2.141 176.778 174.600 0.062 0.000 1.029 143 S CA 1.078 59.317 58.200 0.064 0.000 0.978 143 S CB -0.494 62.746 63.200 0.066 0.000 0.833 143 S HN 0.537 nan 8.310 nan 0.000 0.466 144 A N 0.950 123.799 122.820 0.048 0.000 1.877 144 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 144 A C 2.400 179.988 177.584 0.008 0.000 1.186 144 A CA 1.584 53.632 52.037 0.019 0.000 0.620 144 A CB -1.501 17.498 19.000 -0.001 0.000 0.822 144 A HN 0.691 nan 8.150 nan 0.000 0.443 145 C N -1.220 118.097 119.300 0.029 0.000 2.472 145 C HA 0.142 4.602 4.460 -0.000 0.000 0.278 145 C C 2.287 177.352 174.990 0.124 0.000 1.447 145 C CA 0.684 59.724 59.018 0.035 0.000 1.773 145 C CB -1.253 26.512 27.740 0.041 0.000 1.793 145 C HN 0.530 nan 8.230 nan 0.000 0.544 146 L N 0.344 121.673 121.223 0.177 0.000 2.388 146 L HA 0.252 4.592 4.340 -0.000 0.000 0.209 146 L C 2.620 179.663 176.870 0.288 0.000 1.061 146 L CA 1.542 56.575 54.840 0.323 0.000 0.834 146 L CB -1.116 41.107 42.059 0.274 0.000 1.029 146 L HN 0.161 nan 8.230 nan 0.000 0.473 147 A N -0.984 121.931 122.820 0.160 0.000 1.972 147 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 147 A C 2.294 179.958 177.584 0.133 0.000 1.169 147 A CA 2.282 54.404 52.037 0.142 0.000 0.635 147 A CB -0.876 18.177 19.000 0.088 0.000 0.810 147 A HN 0.398 nan 8.150 nan 0.000 0.446 148 T N 0.488 115.087 114.554 0.074 0.000 2.668 148 T HA -0.059 4.290 4.350 -0.000 0.000 0.262 148 T C -0.145 174.572 174.700 0.030 0.000 1.045 148 T CA 1.615 63.731 62.100 0.026 0.000 1.152 148 T CB -1.019 67.810 68.868 -0.064 0.000 0.864 148 T HN 0.481 nan 8.240 nan 0.000 0.419 149 P HA 0.017 nan 4.420 nan 0.000 0.221 149 P C 0.745 177.969 177.300 -0.126 0.000 1.150 149 P CA 0.996 64.049 63.100 -0.077 0.000 0.800 149 P CB -0.241 31.397 31.700 -0.102 0.000 0.787 150 F N 0.460 120.461 119.950 0.084 0.000 2.773 150 F HA 0.204 4.731 4.527 -0.000 0.000 0.304 150 F C 1.013 176.865 175.800 0.087 0.000 1.129 150 F CA 0.043 58.094 58.000 0.085 0.000 1.378 150 F CB -0.672 38.306 39.000 -0.036 0.000 1.095 150 F HN -0.171 nan 8.300 nan 0.000 0.565 151 K N 0.591 121.093 120.400 0.170 0.000 3.077 151 K HA -0.195 4.125 4.320 -0.000 0.000 0.264 151 K C -0.432 176.223 176.600 0.092 0.000 1.008 151 K CA 0.012 56.350 56.287 0.085 0.000 0.740 151 K CB -1.662 30.819 32.500 -0.031 0.000 1.273 151 K HN 0.115 nan 8.250 nan 0.000 0.477 152 I N 1.077 121.761 120.570 0.190 0.000 2.496 152 I HA -0.000 4.170 4.170 -0.000 0.000 0.285 152 I C 1.786 178.083 176.117 0.300 0.000 1.080 152 I CA 0.511 61.933 61.300 0.203 0.000 1.404 152 I CB 0.620 38.728 38.000 0.179 0.000 1.403 152 I HN 0.277 nan 8.210 nan 0.000 0.539 153 H N 3.302 122.412 119.070 0.068 0.000 2.874 153 H HA 0.167 4.723 4.556 -0.000 0.000 0.264 153 H C 1.349 176.694 175.328 0.028 0.000 1.007 153 H CA 0.030 56.102 56.048 0.040 0.000 1.207 153 H CB 1.344 31.126 29.762 0.032 0.000 1.487 153 H HN 0.764 nan 8.280 nan 0.000 0.505 154 G N 0.758 109.643 108.800 0.143 0.000 2.783 154 G HA2 0.149 4.109 3.960 -0.000 0.000 0.182 154 G HA3 0.149 4.109 3.960 -0.000 0.000 0.182 154 G C -0.140 174.772 174.900 0.020 0.000 1.516 154 G CA -0.370 44.767 45.100 0.062 0.000 1.079 154 G HN 0.073 nan 8.290 nan 0.000 0.573 155 V N 0.937 120.831 119.914 -0.033 0.000 2.872 155 V HA 0.338 4.458 4.120 -0.000 0.000 0.307 155 V C -0.313 175.686 176.094 -0.159 0.000 1.072 155 V CA 0.256 62.489 62.300 -0.110 0.000 1.148 155 V CB 1.239 32.934 31.823 -0.213 0.000 0.954 155 V HN 0.822 nan 8.190 nan 0.000 0.490 156 N N 4.772 123.359 118.700 -0.187 0.000 2.699 156 N HA 0.421 5.161 4.740 -0.000 0.000 0.271 156 N C -1.395 174.098 175.510 -0.028 0.000 1.216 156 N CA -0.475 52.509 53.050 -0.110 0.000 0.844 156 N CB 1.047 39.540 38.487 0.009 0.000 1.462 156 N HN 0.655 nan 8.380 nan 0.000 0.555 157 Y N -0.923 119.398 120.300 0.035 0.000 2.750 157 Y HA 0.703 5.253 4.550 -0.000 0.000 0.335 157 Y C -1.134 174.786 175.900 0.032 0.000 1.252 157 Y CA -1.181 56.937 58.100 0.029 0.000 1.064 157 Y CB 0.333 38.806 38.460 0.023 0.000 1.321 157 Y HN 0.108 nan 8.280 nan 0.000 0.451 158 S N 1.176 117.070 115.700 0.323 0.000 2.501 158 S HA 0.747 5.217 4.470 -0.000 0.000 0.301 158 S C -0.736 173.999 174.600 0.226 0.000 1.096 158 S CA -0.697 57.630 58.200 0.212 0.000 1.063 158 S CB 0.883 64.161 63.200 0.130 0.000 1.042 158 S HN 0.520 nan 8.310 nan 0.000 0.494 159 I N 2.496 123.179 120.570 0.188 0.000 2.460 159 I HA 0.453 4.623 4.170 -0.000 0.000 0.298 159 I C 0.001 176.185 176.117 0.112 0.000 0.989 159 I CA -0.407 60.973 61.300 0.133 0.000 1.173 159 I CB 1.917 40.008 38.000 0.152 0.000 1.338 159 I HN 0.653 nan 8.210 nan 0.000 0.456 160 S N 2.421 118.174 115.700 0.088 0.000 2.526 160 S HA 0.700 5.170 4.470 -0.000 0.000 0.293 160 S C -0.297 174.366 174.600 0.105 0.000 1.092 160 S CA -0.523 57.734 58.200 0.096 0.000 0.980 160 S CB 1.768 65.016 63.200 0.081 0.000 1.048 160 S HN 0.681 nan 8.310 nan 0.000 0.483 161 S N 0.372 116.157 115.700 0.142 0.000 2.665 161 S HA 0.621 5.091 4.470 -0.000 0.000 0.226 161 S C 0.627 175.325 174.600 0.165 0.000 0.773 161 S CA -0.115 58.191 58.200 0.176 0.000 1.041 161 S CB -0.668 62.711 63.200 0.298 0.000 1.570 161 S HN 2.325 nan 8.310 nan 0.000 0.470 162 A N 0.870 123.763 122.820 0.122 0.000 5.391 162 A HA -0.351 3.969 4.320 -0.000 0.000 0.315 162 A C 1.732 179.344 177.584 0.046 0.000 1.874 162 A CA 1.344 53.427 52.037 0.076 0.000 0.714 162 A CB -2.305 16.750 19.000 0.091 0.000 1.335 162 A HN 1.563 nan 8.150 nan 0.000 0.382 163 C N 0.192 119.511 119.300 0.033 0.000 2.422 163 C HA 0.327 4.787 4.460 -0.000 0.000 0.286 163 C C 2.800 177.831 174.990 0.069 0.000 1.412 163 C CA 1.256 60.336 59.018 0.102 0.000 1.786 163 C CB -1.931 25.958 27.740 0.249 0.000 1.835 163 C HN 1.485 nan 8.230 nan 0.000 0.533 164 A N 0.297 123.154 122.820 0.062 0.000 2.275 164 A HA 0.112 4.432 4.320 -0.000 0.000 0.212 164 A C 1.956 179.566 177.584 0.044 0.000 1.201 164 A CA 0.976 53.006 52.037 -0.012 0.000 0.843 164 A CB -0.654 18.327 19.000 -0.032 0.000 0.873 164 A HN 0.470 nan 8.150 nan 0.000 0.492 165 T N 1.280 115.899 114.554 0.107 0.000 2.565 165 T HA -0.225 4.125 4.350 -0.000 0.000 0.265 165 T C 2.232 176.991 174.700 0.097 0.000 1.082 165 T CA 2.549 64.729 62.100 0.134 0.000 1.173 165 T CB -0.375 68.547 68.868 0.090 0.000 0.864 165 T HN 0.787 nan 8.240 nan 0.000 0.425 166 S N 1.057 116.775 115.700 0.030 0.000 2.527 166 S HA 0.343 4.813 4.470 -0.000 0.000 0.222 166 S C 2.210 176.785 174.600 -0.041 0.000 0.985 166 S CA 0.564 58.764 58.200 -0.000 0.000 0.921 166 S CB -0.228 62.958 63.200 -0.023 0.000 0.772 166 S HN 0.510 nan 8.310 nan 0.000 0.529 167 A N 2.313 125.091 122.820 -0.069 0.000 1.897 167 A HA -0.055 4.265 4.320 -0.000 0.000 0.215 167 A C 2.109 179.634 177.584 -0.098 0.000 1.181 167 A CA 1.182 53.147 52.037 -0.120 0.000 0.620 167 A CB -0.946 17.952 19.000 -0.171 0.000 0.821 167 A HN 0.599 nan 8.150 nan 0.000 0.443 168 H N -0.792 118.305 119.070 0.045 0.000 2.423 168 H HA -0.113 4.443 4.556 -0.000 0.000 0.297 168 H C 2.359 177.673 175.328 -0.024 0.000 1.075 168 H CA 1.300 57.394 56.048 0.077 0.000 1.342 168 H CB -0.564 29.281 29.762 0.138 0.000 1.395 168 H HN 0.533 nan 8.280 nan 0.000 0.530 169 C N 0.550 119.908 119.300 0.097 0.000 2.432 169 C HA -0.108 4.352 4.460 -0.000 0.000 0.277 169 C C 2.995 177.944 174.990 -0.070 0.000 1.249 169 C CA 0.521 59.560 59.018 0.035 0.000 1.725 169 C CB -1.053 26.704 27.740 0.028 0.000 2.028 169 C HN 0.432 nan 8.230 nan 0.000 0.477 170 I N 1.105 121.599 120.570 -0.126 0.000 2.226 170 I HA -0.115 4.055 4.170 -0.000 0.000 0.245 170 I C 2.733 178.648 176.117 -0.338 0.000 1.100 170 I CA 1.816 63.000 61.300 -0.194 0.000 1.374 170 I CB -0.949 36.944 38.000 -0.179 0.000 1.057 170 I HN 0.447 nan 8.210 nan 0.000 0.413 171 G N 0.447 108.879 108.800 -0.614 0.000 2.418 171 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.217 171 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.217 171 G C 1.458 175.961 174.900 -0.661 0.000 1.158 171 G CA 0.899 45.155 45.100 -1.407 0.000 0.771 171 G HN 0.418 nan 8.290 nan 0.000 0.545 172 N N 0.858 119.401 118.700 -0.261 0.000 2.244 172 N HA -0.068 4.672 4.740 -0.000 0.000 0.183 172 N C 2.535 178.018 175.510 -0.045 0.000 1.016 172 N CA 0.958 54.000 53.050 -0.013 0.000 0.866 172 N CB -0.096 38.460 38.487 0.114 0.000 0.980 172 N HN 0.266 nan 8.380 nan 0.000 0.430 173 A N 0.754 123.510 122.820 -0.107 0.000 1.902 173 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 173 A C 2.403 179.923 177.584 -0.107 0.000 1.181 173 A CA 1.111 53.080 52.037 -0.112 0.000 0.623 173 A CB -0.758 18.160 19.000 -0.136 0.000 0.818 173 A HN 0.175 nan 8.150 nan 0.000 0.443 174 V N 0.260 120.095 119.914 -0.133 0.000 2.332 174 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 174 V C 2.388 178.465 176.094 -0.027 0.000 1.055 174 V CA 2.358 64.605 62.300 -0.088 0.000 1.038 174 V CB -0.900 30.861 31.823 -0.103 0.000 0.651 174 V HN 0.653 nan 8.190 nan 0.000 0.450 175 E N -0.550 119.652 120.200 0.003 0.000 2.110 175 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 175 E C 2.382 178.998 176.600 0.028 0.000 0.988 175 E CA 1.088 57.519 56.400 0.053 0.000 0.804 175 E CB -0.153 29.609 29.700 0.104 0.000 0.745 175 E HN 0.572 nan 8.360 nan 0.000 0.458 176 Q N 0.203 120.006 119.800 0.005 0.000 2.084 176 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 176 Q C 2.270 178.257 176.000 -0.023 0.000 0.978 176 Q CA 1.008 56.806 55.803 -0.007 0.000 0.844 176 Q CB -0.199 28.519 28.738 -0.033 0.000 0.898 176 Q HN 0.289 nan 8.270 nan 0.000 0.426 177 I N 1.189 121.736 120.570 -0.040 0.000 2.202 177 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 177 I C 2.396 178.502 176.117 -0.018 0.000 1.091 177 I CA 1.347 62.621 61.300 -0.044 0.000 1.368 177 I CB -0.558 37.406 38.000 -0.060 0.000 1.058 177 I HN 0.201 nan 8.210 nan 0.000 0.410 178 Q N -0.226 119.573 119.800 -0.002 0.000 2.124 178 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 178 Q C 2.113 178.121 176.000 0.014 0.000 0.977 178 Q CA 1.245 57.056 55.803 0.013 0.000 0.850 178 Q CB -0.257 28.499 28.738 0.031 0.000 0.901 178 Q HN 0.464 nan 8.270 nan 0.000 0.429 179 L N -0.665 120.567 121.223 0.015 0.000 2.610 179 L HA 0.069 4.409 4.340 -0.000 0.000 0.232 179 L C 1.169 178.044 176.870 0.009 0.000 1.149 179 L CA 0.425 55.275 54.840 0.016 0.000 0.872 179 L CB -0.179 41.894 42.059 0.023 0.000 0.992 179 L HN 0.440 nan 8.230 nan 0.000 0.447 180 G N 0.041 108.842 108.800 0.001 0.000 2.148 180 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.254 180 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.254 180 G C 1.021 175.917 174.900 -0.007 0.000 0.981 180 G CA 0.583 45.681 45.100 -0.003 0.000 0.670 180 G HN 0.402 nan 8.290 nan 0.000 0.528 181 K N -0.909 119.486 120.400 -0.008 0.000 2.262 181 K HA 0.122 4.442 4.320 -0.000 0.000 0.200 181 K C 0.909 177.496 176.600 -0.023 0.000 1.049 181 K CA 0.732 57.015 56.287 -0.006 0.000 0.979 181 K CB 0.098 32.601 32.500 0.005 0.000 0.773 181 K HN 0.402 nan 8.250 nan 0.000 0.474 182 Q N -0.244 119.529 119.800 -0.046 0.000 2.421 182 Q HA 0.139 4.479 4.340 -0.000 0.000 0.280 182 Q C -0.519 175.410 176.000 -0.120 0.000 1.085 182 Q CA -0.338 55.418 55.803 -0.078 0.000 0.807 182 Q CB 2.040 30.724 28.738 -0.090 0.000 1.405 182 Q HN -0.049 nan 8.270 nan 0.000 0.419 183 D N 0.310 120.599 120.400 -0.185 0.000 2.277 183 D HA 0.252 4.892 4.640 -0.000 0.000 0.209 183 D C 0.260 176.336 176.300 -0.373 0.000 0.970 183 D CA 0.866 54.673 54.000 -0.322 0.000 0.874 183 D CB 1.160 41.632 40.800 -0.547 0.000 0.982 183 D HN 0.364 nan 8.370 nan 0.000 0.504 184 I N 0.627 120.999 120.570 -0.330 0.000 2.619 184 I HA 0.249 4.419 4.170 -0.000 0.000 0.292 184 I C -1.165 174.743 176.117 -0.347 0.000 1.100 184 I CA -0.787 60.289 61.300 -0.374 0.000 1.043 184 I CB 3.295 41.031 38.000 -0.441 0.000 1.239 184 I HN -0.411 nan 8.210 nan 0.000 0.420 185 V N 5.736 125.424 119.914 -0.378 0.000 2.525 185 V HA 0.398 4.518 4.120 -0.000 0.000 0.299 185 V C -0.637 175.223 176.094 -0.391 0.000 1.034 185 V CA -0.636 61.483 62.300 -0.303 0.000 0.863 185 V CB 1.687 33.398 31.823 -0.186 0.000 0.999 185 V HN 0.362 nan 8.190 nan 0.000 0.423 186 F N 3.308 123.160 119.950 -0.164 0.000 2.467 186 F HA 0.648 5.175 4.527 -0.000 0.000 0.362 186 F C 0.748 176.452 175.800 -0.160 0.000 1.090 186 F CA 0.079 57.967 58.000 -0.188 0.000 1.202 186 F CB 1.003 39.851 39.000 -0.252 0.000 1.113 186 F HN 0.583 nan 8.300 nan 0.000 0.541 187 A N 2.378 125.197 122.820 -0.002 0.000 2.414 187 A HA 0.934 5.254 4.320 -0.000 0.000 0.306 187 A C -0.076 177.485 177.584 -0.039 0.000 1.054 187 A CA 0.091 52.105 52.037 -0.039 0.000 0.724 187 A CB 1.507 20.455 19.000 -0.086 0.000 1.267 187 A HN 1.068 nan 8.150 nan 0.000 0.418 188 G N -0.352 108.430 108.800 -0.029 0.000 2.452 188 G HA2 0.740 4.700 3.960 -0.000 0.000 0.224 188 G HA3 0.740 4.700 3.960 -0.000 0.000 0.224 188 G C -0.219 174.677 174.900 -0.007 0.000 1.208 188 G CA 0.392 45.472 45.100 -0.033 0.000 0.946 188 G HN 2.287 nan 8.290 nan 0.000 0.481 189 G N -2.133 106.667 108.800 -0.000 0.000 2.441 189 G HA2 0.822 4.782 3.960 -0.000 0.000 0.294 189 G HA3 0.822 4.782 3.960 -0.000 0.000 0.294 189 G C -0.597 174.329 174.900 0.044 0.000 1.393 189 G CA 0.566 45.681 45.100 0.025 0.000 0.796 189 G HN 2.017 nan 8.290 nan 0.000 0.494 190 G N -1.202 107.638 108.800 0.067 0.000 2.704 190 G HA2 0.675 4.635 3.960 -0.000 0.000 0.293 190 G HA3 0.675 4.635 3.960 -0.000 0.000 0.293 190 G C -1.925 173.039 174.900 0.108 0.000 1.421 190 G CA -0.373 44.795 45.100 0.113 0.000 0.870 190 G HN 0.674 nan 8.290 nan 0.000 0.492 191 E N -0.209 120.088 120.200 0.160 0.000 2.321 191 E HA 0.338 4.688 4.350 -0.000 0.000 0.281 191 E C -0.191 176.523 176.600 0.191 0.000 0.910 191 E CA -0.680 55.792 56.400 0.120 0.000 0.770 191 E CB 1.522 31.253 29.700 0.050 0.000 1.225 191 E HN 0.708 nan 8.360 nan 0.000 0.417 192 E N 3.105 123.378 120.200 0.121 0.000 2.371 192 E HA 0.405 4.755 4.350 -0.000 0.000 0.257 192 E C -0.785 175.867 176.600 0.087 0.000 1.134 192 E CA -0.808 55.660 56.400 0.113 0.000 0.919 192 E CB 1.141 30.862 29.700 0.035 0.000 1.025 192 E HN 0.252 nan 8.360 nan 0.000 0.438 193 L N 2.099 123.354 121.223 0.052 0.000 2.372 193 L HA 0.464 4.804 4.340 -0.000 0.000 0.274 193 L C -1.398 175.508 176.870 0.060 0.000 0.988 193 L CA -0.365 54.474 54.840 -0.002 0.000 0.833 193 L CB 1.025 42.955 42.059 -0.215 0.000 1.236 193 L HN 0.934 nan 8.230 nan 0.000 0.410 194 C N 2.216 121.613 119.300 0.162 0.000 3.284 194 C HA 0.427 4.887 4.460 -0.000 0.000 0.338 194 C C 1.055 176.143 174.990 0.164 0.000 1.237 194 C CA -0.963 58.140 59.018 0.141 0.000 1.276 194 C CB 0.606 28.293 27.740 -0.088 0.000 1.601 194 C HN 1.072 nan 8.230 nan 0.000 0.494 195 W N 1.121 122.529 121.300 0.179 0.000 2.374 195 W HA 0.001 4.661 4.660 -0.000 0.000 0.288 195 W C 1.015 177.600 176.519 0.109 0.000 1.218 195 W CA 1.883 59.300 57.345 0.119 0.000 1.245 195 W CB -0.989 28.503 29.460 0.053 0.000 1.126 195 W HN 0.875 nan 8.180 nan 0.000 0.545 196 E N 0.825 120.450 120.200 -0.959 0.000 2.085 196 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 196 E C 2.334 178.785 176.600 -0.247 0.000 0.994 196 E CA 2.558 58.405 56.400 -0.921 0.000 0.801 196 E CB -0.650 28.501 29.700 -0.915 0.000 0.743 196 E HN 0.354 nan 8.360 nan 0.000 0.453 197 M N -0.557 118.989 119.600 -0.089 0.000 2.325 197 M HA 0.104 4.584 4.480 -0.000 0.000 0.265 197 M C 2.055 178.522 176.300 0.277 0.000 1.094 197 M CA 1.187 56.550 55.300 0.105 0.000 1.161 197 M CB 0.141 32.828 32.600 0.145 0.000 1.358 197 M HN 0.155 nan 8.290 nan 0.000 0.446 198 A N 0.194 123.176 122.820 0.269 0.000 1.972 198 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 198 A C 2.295 180.074 177.584 0.326 0.000 1.169 198 A CA 1.662 53.901 52.037 0.338 0.000 0.635 198 A CB -1.655 17.510 19.000 0.275 0.000 0.810 198 A HN 0.866 nan 8.150 nan 0.000 0.446 199 C N -0.572 118.897 119.300 0.280 0.000 2.419 199 C HA -0.031 4.429 4.460 -0.000 0.000 0.281 199 C C 2.112 177.208 174.990 0.177 0.000 1.336 199 C CA 0.939 60.102 59.018 0.241 0.000 1.770 199 C CB -1.481 26.440 27.740 0.302 0.000 1.929 199 C HN 0.655 nan 8.230 nan 0.000 0.509 200 E N 0.464 120.752 120.200 0.146 0.000 2.106 200 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 200 E C 1.746 178.324 176.600 -0.037 0.000 0.984 200 E CA 1.426 57.831 56.400 0.008 0.000 0.806 200 E CB -0.316 29.317 29.700 -0.111 0.000 0.750 200 E HN 0.774 nan 8.360 nan 0.000 0.458 201 F N 1.120 121.140 119.950 0.116 0.000 2.206 201 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 201 F C 2.221 178.038 175.800 0.030 0.000 1.090 201 F CA 0.975 59.040 58.000 0.109 0.000 1.323 201 F CB -0.083 38.966 39.000 0.082 0.000 1.028 201 F HN -0.042 nan 8.300 nan 0.000 0.492 202 D N 0.269 120.788 120.400 0.197 0.000 2.144 202 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 202 D C 2.218 178.566 176.300 0.079 0.000 0.978 202 D CA 1.196 55.255 54.000 0.099 0.000 0.833 202 D CB -0.189 40.669 40.800 0.097 0.000 0.961 202 D HN 0.168 nan 8.370 nan 0.000 0.470 203 A N 0.567 123.434 122.820 0.080 0.000 2.121 203 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 203 A C 2.149 179.756 177.584 0.038 0.000 1.154 203 A CA 1.419 53.487 52.037 0.052 0.000 0.679 203 A CB -0.737 18.291 19.000 0.047 0.000 0.795 203 A HN 0.501 nan 8.150 nan 0.000 0.458 204 M N -3.185 116.444 119.600 0.048 0.000 2.431 204 M HA 0.460 4.940 4.480 -0.000 0.000 0.237 204 M C 1.019 177.356 176.300 0.062 0.000 1.130 204 M CA 0.679 56.004 55.300 0.042 0.000 1.002 204 M CB 0.090 32.707 32.600 0.028 0.000 1.524 204 M HN 0.541 nan 8.290 nan 0.000 0.482 205 G N 0.736 109.573 108.800 0.061 0.000 2.143 205 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.248 205 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.248 205 G C 0.799 175.736 174.900 0.062 0.000 0.991 205 G CA 0.390 45.520 45.100 0.050 0.000 0.689 205 G HN 0.773 nan 8.290 nan 0.000 0.522 206 A N -0.896 121.974 122.820 0.083 0.000 2.123 206 A HA 0.620 4.940 4.320 -0.000 0.000 0.214 206 A C 1.279 178.728 177.584 -0.225 0.000 1.152 206 A CA 0.809 52.893 52.037 0.078 0.000 0.728 206 A CB 0.100 19.298 19.000 0.329 0.000 0.814 206 A HN 0.662 nan 8.150 nan 0.000 0.464 207 L N -0.085 120.995 121.223 -0.237 0.000 2.343 207 L HA 0.339 4.679 4.340 -0.000 0.000 0.275 207 L C 0.688 177.491 176.870 -0.111 0.000 1.056 207 L CA -0.587 54.062 54.840 -0.319 0.000 0.804 207 L CB 1.557 43.474 42.059 -0.236 0.000 1.203 207 L HN 0.142 nan 8.230 nan 0.000 0.440 208 S N 0.269 115.936 115.700 -0.055 0.000 2.537 208 S HA 0.094 4.564 4.470 -0.000 0.000 0.286 208 S C 0.820 175.429 174.600 0.014 0.000 1.299 208 S CA 0.223 58.451 58.200 0.047 0.000 1.067 208 S CB 0.351 63.627 63.200 0.126 0.000 0.864 208 S HN 0.838 nan 8.310 nan 0.000 0.494 209 T N 1.467 116.018 114.554 -0.006 0.000 3.009 209 T HA 0.329 4.679 4.350 -0.000 0.000 0.267 209 T C 0.898 175.516 174.700 -0.136 0.000 0.942 209 T CA -0.431 61.616 62.100 -0.088 0.000 0.883 209 T CB -0.080 68.731 68.868 -0.094 0.000 1.192 209 T HN 0.591 nan 8.240 nan 0.000 0.524 210 K N 0.155 120.448 120.400 -0.178 0.000 2.404 210 K HA 0.244 4.564 4.320 -0.000 0.000 0.194 210 K C -0.224 176.045 176.600 -0.550 0.000 1.023 210 K CA 0.325 56.368 56.287 -0.405 0.000 1.094 210 K CB 0.180 32.340 32.500 -0.567 0.000 0.841 210 K HN 0.419 nan 8.250 nan 0.000 0.523 211 Y N -0.107 120.183 120.300 -0.017 0.000 2.706 211 Y HA 0.200 4.750 4.550 -0.000 0.000 0.255 211 Y C 0.856 176.767 175.900 0.018 0.000 1.163 211 Y CA -0.668 57.434 58.100 0.004 0.000 1.174 211 Y CB 0.102 38.574 38.460 0.019 0.000 1.200 211 Y HN 0.000 nan 8.280 nan 0.000 0.544 212 N N 0.533 119.282 118.700 0.082 0.000 2.289 212 N HA -0.148 4.592 4.740 -0.000 0.000 0.184 212 N C 0.828 176.425 175.510 0.144 0.000 1.016 212 N CA 1.333 54.459 53.050 0.127 0.000 0.872 212 N CB 0.051 38.577 38.487 0.066 0.000 0.973 212 N HN 0.426 nan 8.380 nan 0.000 0.433 213 D N -0.277 120.169 120.400 0.077 0.000 2.347 213 D HA -0.022 4.618 4.640 -0.000 0.000 0.215 213 D C 0.477 176.810 176.300 0.055 0.000 0.976 213 D CA 0.799 54.819 54.000 0.033 0.000 0.884 213 D CB 0.084 40.888 40.800 0.005 0.000 0.915 213 D HN 0.315 nan 8.370 nan 0.000 0.526 214 T N -2.299 112.321 114.554 0.110 0.000 3.410 214 T HA 0.342 4.692 4.350 -0.000 0.000 0.328 214 T C -2.393 172.379 174.700 0.121 0.000 1.567 214 T CA -1.636 60.527 62.100 0.105 0.000 1.626 214 T CB 1.813 70.748 68.868 0.113 0.000 0.939 214 T HN -0.288 nan 8.240 nan 0.000 0.656 215 P HA -0.077 nan 4.420 nan 0.000 0.218 215 P C 1.323 178.679 177.300 0.093 0.000 1.148 215 P CA 1.053 64.239 63.100 0.142 0.000 0.822 215 P CB 0.157 31.965 31.700 0.180 0.000 0.784 216 E N -0.571 119.668 120.200 0.065 0.000 2.409 216 E HA -0.105 4.245 4.350 -0.000 0.000 0.198 216 E C 1.185 177.777 176.600 -0.014 0.000 1.024 216 E CA 0.637 57.055 56.400 0.031 0.000 0.861 216 E CB -0.132 29.584 29.700 0.026 0.000 0.788 216 E HN 0.256 nan 8.360 nan 0.000 0.521 217 K N -0.302 120.076 120.400 -0.036 0.000 2.358 217 K HA 0.208 4.528 4.320 -0.000 0.000 0.197 217 K C 1.538 177.935 176.600 -0.338 0.000 1.025 217 K CA 0.241 56.438 56.287 -0.151 0.000 1.104 217 K CB 0.652 33.073 32.500 -0.132 0.000 0.855 217 K HN 0.012 nan 8.250 nan 0.000 0.531 218 A N 1.167 123.887 122.820 -0.167 0.000 1.898 218 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 218 A C 1.453 178.962 177.584 -0.126 0.000 1.181 218 A CA 1.070 53.030 52.037 -0.128 0.000 0.620 218 A CB -0.136 18.930 19.000 0.110 0.000 0.819 218 A HN 0.172 nan 8.150 nan 0.000 0.442 219 S N 0.426 116.085 115.700 -0.068 0.000 2.430 219 S HA 0.469 4.939 4.470 -0.000 0.000 0.289 219 S C 0.260 174.805 174.600 -0.092 0.000 1.143 219 S CA -0.619 57.557 58.200 -0.040 0.000 1.067 219 S CB -0.037 63.163 63.200 -0.000 0.000 0.964 219 S HN 0.515 nan 8.310 nan 0.000 0.485 220 R N 2.578 123.018 120.500 -0.099 0.000 2.568 220 R HA 0.153 4.493 4.340 -0.000 0.000 0.232 220 R C -0.873 175.363 176.300 -0.108 0.000 1.412 220 R CA -0.606 55.430 56.100 -0.107 0.000 1.492 220 R CB -1.123 29.088 30.300 -0.148 0.000 1.441 220 R HN 0.458 nan 8.270 nan 0.000 0.768 221 T N 2.012 116.452 114.554 -0.190 0.000 2.905 221 T HA -0.045 4.305 4.350 -0.000 0.000 0.299 221 T C 0.005 174.478 174.700 -0.378 0.000 1.024 221 T CA 1.054 62.906 62.100 -0.415 0.000 1.151 221 T CB -0.104 68.386 68.868 -0.630 0.000 0.987 221 T HN 0.512 nan 8.240 nan 0.000 0.535 222 Y N -1.308 119.000 120.300 0.013 0.000 4.894 222 Y HA -0.224 4.326 4.550 -0.000 0.000 0.270 222 Y C 0.726 176.629 175.900 0.004 0.000 0.930 222 Y CA 0.495 58.602 58.100 0.011 0.000 1.814 222 Y CB -2.292 36.173 38.460 0.009 0.000 1.235 222 Y HN 0.773 nan 8.280 nan 0.000 0.480 223 D N 0.529 120.988 120.400 0.098 0.000 2.382 223 D HA 0.540 5.180 4.640 -0.000 0.000 0.245 223 D C 1.286 177.601 176.300 0.024 0.000 1.120 223 D CA 0.797 54.837 54.000 0.067 0.000 0.890 223 D CB 1.254 42.084 40.800 0.050 0.000 1.201 223 D HN 0.276 nan 8.370 nan 0.000 0.433 224 A N 2.940 125.727 122.820 -0.054 0.000 2.070 224 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 224 A C 1.088 178.461 177.584 -0.351 0.000 1.159 224 A CA 1.282 53.184 52.037 -0.226 0.000 0.656 224 A CB -0.523 18.258 19.000 -0.364 0.000 0.800 224 A HN 0.779 nan 8.150 nan 0.000 0.453 225 H N -0.556 118.574 119.070 0.101 0.000 2.486 225 H HA 0.176 4.732 4.556 -0.000 0.000 0.284 225 H C 0.559 176.003 175.328 0.194 0.000 1.103 225 H CA -0.396 55.740 56.048 0.146 0.000 1.089 225 H CB 0.100 29.973 29.762 0.185 0.000 1.603 225 H HN 0.574 nan 8.280 nan 0.000 0.557 226 R N 1.593 122.197 120.500 0.174 0.000 2.734 226 R HA -0.001 4.339 4.340 -0.000 0.000 0.266 226 R C -0.457 175.954 176.300 0.185 0.000 1.044 226 R CA 0.566 56.758 56.100 0.154 0.000 1.128 226 R CB 0.453 30.792 30.300 0.066 0.000 1.010 226 R HN 0.273 nan 8.270 nan 0.000 0.461 227 D N 0.255 120.773 120.400 0.198 0.000 2.822 227 D HA 0.215 4.855 4.640 -0.000 0.000 0.327 227 D C 0.043 176.416 176.300 0.122 0.000 1.577 227 D CA 0.135 54.230 54.000 0.159 0.000 0.785 227 D CB 0.306 41.203 40.800 0.162 0.000 1.199 227 D HN 0.929 nan 8.370 nan 0.000 0.443 228 G N 0.395 109.271 108.800 0.126 0.000 2.392 228 G HA2 0.240 4.200 3.960 -0.000 0.000 0.677 228 G HA3 0.240 4.200 3.960 -0.000 0.000 0.677 228 G C -0.583 174.403 174.900 0.142 0.000 1.334 228 G CA -0.667 44.500 45.100 0.112 0.000 0.961 228 G HN 0.342 nan 8.290 nan 0.000 0.616 229 F N -0.621 119.387 119.950 0.096 0.000 2.368 229 F HA 0.815 5.342 4.527 -0.000 0.000 0.315 229 F C 0.278 176.117 175.800 0.066 0.000 1.145 229 F CA -1.437 56.603 58.000 0.066 0.000 1.095 229 F CB 1.208 40.261 39.000 0.090 0.000 1.286 229 F HN 0.401 nan 8.300 nan 0.000 0.530 230 V N 4.041 124.169 119.914 0.357 0.000 2.347 230 V HA 0.271 4.391 4.120 -0.000 0.000 0.280 230 V C 0.208 176.513 176.094 0.351 0.000 1.021 230 V CA -0.845 61.597 62.300 0.236 0.000 0.847 230 V CB 1.075 33.002 31.823 0.173 0.000 0.990 230 V HN 0.852 nan 8.190 nan 0.000 0.444 231 I N 4.556 125.286 120.570 0.267 0.000 2.696 231 I HA 0.552 4.722 4.170 -0.000 0.000 0.284 231 I C 0.482 176.701 176.117 0.171 0.000 1.129 231 I CA 0.484 61.929 61.300 0.242 0.000 1.410 231 I CB 0.955 39.031 38.000 0.128 0.000 1.399 231 I HN 0.796 nan 8.210 nan 0.000 0.579 232 A N 4.669 127.529 122.820 0.066 0.000 2.569 232 A HA 0.875 5.195 4.320 -0.000 0.000 0.290 232 A C -0.653 176.894 177.584 -0.061 0.000 1.136 232 A CA -0.138 51.896 52.037 -0.005 0.000 0.710 232 A CB 1.338 20.341 19.000 0.006 0.000 1.303 232 A HN 0.837 nan 8.150 nan 0.000 0.413 233 G N -1.736 106.987 108.800 -0.129 0.000 2.730 233 G HA2 0.924 4.884 3.960 -0.000 0.000 0.289 233 G HA3 0.924 4.884 3.960 -0.000 0.000 0.289 233 G C -0.068 174.693 174.900 -0.232 0.000 1.341 233 G CA -0.231 44.807 45.100 -0.104 0.000 0.932 233 G HN 2.258 nan 8.290 nan 0.000 0.481 234 G N -2.034 106.616 108.800 -0.250 0.000 2.350 234 G HA2 0.613 4.573 3.960 -0.000 0.000 0.282 234 G HA3 0.613 4.573 3.960 -0.000 0.000 0.282 234 G C -0.398 174.446 174.900 -0.094 0.000 1.314 234 G CA 0.222 45.034 45.100 -0.479 0.000 0.915 234 G HN 1.900 nan 8.290 nan 0.000 0.499 235 G N -1.809 106.942 108.800 -0.080 0.000 2.695 235 G HA2 1.015 4.975 3.960 -0.000 0.000 0.290 235 G HA3 1.015 4.975 3.960 -0.000 0.000 0.290 235 G C -0.362 174.519 174.900 -0.031 0.000 1.410 235 G CA 0.274 45.392 45.100 0.031 0.000 0.844 235 G HN 2.022 nan 8.290 nan 0.000 0.478 236 G N -0.651 108.129 108.800 -0.033 0.000 2.698 236 G HA2 0.621 4.581 3.960 -0.000 0.000 0.293 236 G HA3 0.621 4.581 3.960 -0.000 0.000 0.293 236 G C -1.384 173.478 174.900 -0.064 0.000 1.437 236 G CA -0.637 44.419 45.100 -0.072 0.000 0.852 236 G HN 0.554 nan 8.290 nan 0.000 0.499 237 M N 0.768 120.322 119.600 -0.077 0.000 2.371 237 M HA 0.493 4.973 4.480 -0.000 0.000 0.287 237 M C -0.338 175.919 176.300 -0.072 0.000 1.149 237 M CA -0.852 54.409 55.300 -0.066 0.000 0.929 237 M CB 1.433 33.988 32.600 -0.075 0.000 1.683 237 M HN 0.914 nan 8.290 nan 0.000 0.470 238 V N 0.431 120.305 119.914 -0.066 0.000 2.864 238 V HA 0.874 4.994 4.120 -0.000 0.000 0.314 238 V C -0.597 175.453 176.094 -0.073 0.000 1.073 238 V CA -0.860 61.390 62.300 -0.083 0.000 0.956 238 V CB 2.017 33.767 31.823 -0.122 0.000 1.023 238 V HN 0.542 nan 8.190 nan 0.000 0.435 239 V N 3.605 123.460 119.914 -0.099 0.000 2.334 239 V HA 0.360 4.480 4.120 -0.000 0.000 0.267 239 V C 0.138 176.105 176.094 -0.212 0.000 1.040 239 V CA -0.361 61.796 62.300 -0.239 0.000 0.866 239 V CB 0.996 32.693 31.823 -0.210 0.000 1.019 239 V HN 0.730 nan 8.190 nan 0.000 0.468 240 V N 5.077 124.837 119.914 -0.258 0.000 2.406 240 V HA 0.470 4.590 4.120 -0.000 0.000 0.272 240 V C 0.068 176.034 176.094 -0.213 0.000 1.043 240 V CA -0.270 61.915 62.300 -0.191 0.000 0.915 240 V CB 1.313 33.033 31.823 -0.172 0.000 0.988 240 V HN 0.976 nan 8.190 nan 0.000 0.466 241 E N 2.822 122.934 120.200 -0.148 0.000 2.314 241 E HA 0.329 4.679 4.350 -0.000 0.000 0.272 241 E C -0.755 175.796 176.600 -0.083 0.000 0.884 241 E CA -0.722 55.594 56.400 -0.140 0.000 0.753 241 E CB 1.804 31.449 29.700 -0.092 0.000 1.213 241 E HN 0.699 nan 8.360 nan 0.000 0.432 242 E N 3.607 123.756 120.200 -0.085 0.000 2.392 242 E HA -0.037 4.313 4.350 -0.000 0.000 0.264 242 E C 0.712 177.323 176.600 0.017 0.000 1.024 242 E CA -0.072 56.309 56.400 -0.032 0.000 0.903 242 E CB 1.115 30.795 29.700 -0.033 0.000 0.963 242 E HN 0.624 nan 8.360 nan 0.000 0.432 243 L N 5.371 126.598 121.223 0.007 0.000 1.989 243 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 243 L C 1.881 178.763 176.870 0.021 0.000 1.071 243 L CA 1.883 56.728 54.840 0.007 0.000 0.749 243 L CB -0.381 41.676 42.059 -0.003 0.000 0.890 243 L HN 0.529 nan 8.230 nan 0.000 0.431 244 E N -0.999 119.219 120.200 0.029 0.000 2.153 244 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 244 E C 2.189 178.811 176.600 0.037 0.000 0.988 244 E CA 1.250 57.665 56.400 0.024 0.000 0.811 244 E CB -0.651 29.062 29.700 0.022 0.000 0.746 244 E HN 0.679 nan 8.360 nan 0.000 0.466 245 H N 0.510 119.565 119.070 -0.026 0.000 2.353 245 H HA -0.002 4.554 4.556 -0.000 0.000 0.300 245 H C 1.823 177.134 175.328 -0.028 0.000 1.090 245 H CA 1.631 57.664 56.048 -0.026 0.000 1.327 245 H CB 0.256 29.999 29.762 -0.032 0.000 1.383 245 H HN 0.126 nan 8.280 nan 0.000 0.508 246 A N 1.163 124.041 122.820 0.097 0.000 1.873 246 A HA -0.083 4.237 4.320 -0.000 0.000 0.215 246 A C 2.846 180.413 177.584 -0.028 0.000 1.186 246 A CA 1.142 53.200 52.037 0.034 0.000 0.616 246 A CB -0.834 18.178 19.000 0.021 0.000 0.823 246 A HN 0.404 nan 8.150 nan 0.000 0.442 247 L N -0.748 120.458 121.223 -0.029 0.000 2.083 247 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 247 L C 3.045 179.882 176.870 -0.054 0.000 1.083 247 L CA 1.026 55.842 54.840 -0.039 0.000 0.752 247 L CB -0.528 41.514 42.059 -0.030 0.000 0.899 247 L HN 0.432 nan 8.230 nan 0.000 0.433 248 A N 0.949 123.723 122.820 -0.077 0.000 2.019 248 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 248 A C 2.231 179.752 177.584 -0.105 0.000 1.164 248 A CA 1.543 53.524 52.037 -0.094 0.000 0.644 248 A CB -0.489 18.439 19.000 -0.120 0.000 0.805 248 A HN 0.575 nan 8.150 nan 0.000 0.449 249 R N -1.241 119.183 120.500 -0.126 0.000 2.359 249 R HA 0.343 4.683 4.340 -0.000 0.000 0.231 249 R C 0.952 177.223 176.300 -0.050 0.000 0.913 249 R CA 0.601 56.644 56.100 -0.096 0.000 1.075 249 R CB -0.618 29.611 30.300 -0.117 0.000 1.087 249 R HN 0.686 nan 8.270 nan 0.000 0.515 250 G N 0.948 109.722 108.800 -0.044 0.000 2.246 250 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.273 250 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.273 250 G C 0.329 175.221 174.900 -0.013 0.000 1.055 250 G CA 0.157 45.241 45.100 -0.026 0.000 0.851 250 G HN 0.722 nan 8.290 nan 0.000 0.500 251 A N 0.088 122.898 122.820 -0.016 0.000 2.466 251 A HA 0.469 4.789 4.320 -0.000 0.000 0.238 251 A C 0.733 178.316 177.584 -0.003 0.000 1.074 251 A CA 0.267 52.305 52.037 0.002 0.000 0.774 251 A CB 0.176 19.175 19.000 -0.003 0.000 1.015 251 A HN 0.991 nan 8.150 nan 0.000 0.498 252 H N 1.808 120.827 119.070 -0.084 0.000 2.742 252 H HA 0.381 4.937 4.556 -0.000 0.000 0.302 252 H C -0.945 174.272 175.328 -0.185 0.000 1.069 252 H CA -0.003 55.948 56.048 -0.162 0.000 1.446 252 H CB 0.278 29.906 29.762 -0.223 0.000 1.462 252 H HN 0.472 nan 8.280 nan 0.000 0.499 253 I N 6.899 127.049 120.570 -0.700 0.000 2.330 253 I HA -0.016 4.154 4.170 -0.000 0.000 0.289 253 I C 0.181 175.905 176.117 -0.656 0.000 1.001 253 I CA -0.576 60.441 61.300 -0.471 0.000 1.193 253 I CB 1.041 38.904 38.000 -0.229 0.000 1.345 253 I HN 0.668 nan 8.210 nan 0.000 0.461 254 Y N 5.121 125.202 120.300 -0.364 0.000 2.153 254 Y HA 0.172 4.722 4.550 -0.000 0.000 0.289 254 Y C 1.279 177.101 175.900 -0.130 0.000 1.127 254 Y CA 1.010 58.989 58.100 -0.201 0.000 1.131 254 Y CB 0.118 38.546 38.460 -0.053 0.000 0.995 254 Y HN 0.654 nan 8.280 nan 0.000 0.505 255 A N -0.754 122.107 122.820 0.068 0.000 2.586 255 A HA 0.397 4.717 4.320 -0.000 0.000 0.291 255 A C -1.428 176.159 177.584 0.005 0.000 1.062 255 A CA -0.835 51.218 52.037 0.027 0.000 0.666 255 A CB 0.813 19.840 19.000 0.045 0.000 1.281 255 A HN 0.098 nan 8.150 nan 0.000 0.421 256 E N 0.899 121.098 120.200 -0.002 0.000 2.266 256 E HA 0.472 4.822 4.350 -0.000 0.000 0.277 256 E C -0.773 175.828 176.600 0.001 0.000 1.018 256 E CA -0.679 55.718 56.400 -0.005 0.000 0.840 256 E CB 0.603 30.301 29.700 -0.005 0.000 1.082 256 E HN 0.461 nan 8.360 nan 0.000 0.395 257 I N 6.624 127.191 120.570 -0.005 0.000 2.294 257 I HA -0.011 4.159 4.170 -0.000 0.000 0.295 257 I C 1.114 177.245 176.117 0.023 0.000 1.098 257 I CA 0.122 61.424 61.300 0.003 0.000 1.277 257 I CB 0.384 38.373 38.000 -0.019 0.000 1.434 257 I HN 0.487 nan 8.210 nan 0.000 0.498 258 V N 3.345 123.280 119.914 0.034 0.000 3.650 258 V HA 0.532 4.652 4.120 -0.000 0.000 0.271 258 V C 0.751 176.883 176.094 0.063 0.000 1.281 258 V CA 0.334 62.659 62.300 0.041 0.000 1.120 258 V CB 0.153 31.995 31.823 0.031 0.000 0.856 258 V HN 0.683 nan 8.190 nan 0.000 0.443 259 G N -0.590 108.260 108.800 0.083 0.000 2.733 259 G HA2 0.548 4.508 3.960 -0.000 0.000 0.297 259 G HA3 0.548 4.508 3.960 -0.000 0.000 0.297 259 G C -2.323 172.689 174.900 0.185 0.000 1.422 259 G CA -0.602 44.566 45.100 0.114 0.000 0.942 259 G HN 0.320 nan 8.290 nan 0.000 0.510 260 Y N 1.172 121.490 120.300 0.030 0.000 2.330 260 Y HA 0.667 5.217 4.550 -0.000 0.000 0.324 260 Y C -0.111 175.814 175.900 0.042 0.000 1.093 260 Y CA -1.274 56.844 58.100 0.029 0.000 1.103 260 Y CB 1.625 40.103 38.460 0.030 0.000 1.183 260 Y HN 0.836 nan 8.280 nan 0.000 0.433 261 G N 3.117 111.842 108.800 -0.125 0.000 2.388 261 G HA2 0.743 4.703 3.960 -0.000 0.000 0.330 261 G HA3 0.743 4.703 3.960 -0.000 0.000 0.330 261 G C -1.574 173.127 174.900 -0.331 0.000 1.142 261 G CA -0.534 44.425 45.100 -0.235 0.000 0.908 261 G HN 1.148 nan 8.290 nan 0.000 0.473 262 A N 1.496 124.134 122.820 -0.303 0.000 2.442 262 A HA 0.860 5.180 4.320 -0.000 0.000 0.284 262 A C -0.030 177.543 177.584 -0.019 0.000 1.058 262 A CA -0.058 51.945 52.037 -0.057 0.000 0.738 262 A CB 1.337 20.297 19.000 -0.066 0.000 1.242 262 A HN 1.572 nan 8.150 nan 0.000 0.421 263 T N -1.457 113.130 114.554 0.054 0.000 2.696 263 T HA 0.872 5.222 4.350 -0.000 0.000 0.291 263 T C -0.308 174.414 174.700 0.036 0.000 1.095 263 T CA -0.384 61.723 62.100 0.011 0.000 1.026 263 T CB 1.659 70.513 68.868 -0.024 0.000 1.390 263 T HN 1.516 nan 8.240 nan 0.000 0.513 264 S N -1.167 114.534 115.700 0.002 0.000 2.549 264 S HA 0.489 4.959 4.470 -0.000 0.000 0.280 264 S C -0.418 174.172 174.600 -0.017 0.000 1.109 264 S CA -0.598 57.607 58.200 0.007 0.000 0.905 264 S CB 1.717 64.920 63.200 0.004 0.000 1.081 264 S HN 0.694 nan 8.310 nan 0.000 0.477 265 D N 2.325 122.716 120.400 -0.015 0.000 2.183 265 D HA 0.179 4.819 4.640 -0.000 0.000 0.205 265 D C 1.416 177.704 176.300 -0.020 0.000 0.962 265 D CA 1.391 55.373 54.000 -0.031 0.000 0.849 265 D CB -0.449 40.334 40.800 -0.029 0.000 0.978 265 D HN 1.050 nan 8.370 nan 0.000 0.488 266 G N 0.269 109.064 108.800 -0.008 0.000 2.295 266 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.287 266 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.287 266 G C 0.626 175.520 174.900 -0.009 0.000 1.055 266 G CA 0.871 45.967 45.100 -0.008 0.000 0.922 266 G HN 0.624 nan 8.290 nan 0.000 0.503 267 A N -0.937 121.879 122.820 -0.007 0.000 1.721 267 A HA 0.681 5.001 4.320 -0.000 0.000 0.162 267 A C 0.303 177.884 177.584 -0.006 0.000 1.771 267 A CA 1.098 53.130 52.037 -0.008 0.000 1.560 267 A CB 0.305 19.297 19.000 -0.013 0.000 1.297 267 A HN 0.595 nan 8.150 nan 0.000 0.965 268 D N -1.329 119.069 120.400 -0.004 0.000 2.252 268 D HA 0.515 5.155 4.640 -0.000 0.000 0.245 268 D C 1.000 177.293 176.300 -0.012 0.000 1.009 268 D CA -0.547 53.447 54.000 -0.009 0.000 0.870 268 D CB 0.960 41.756 40.800 -0.007 0.000 1.251 268 D HN 0.095 nan 8.370 nan 0.000 0.460 269 M N 2.207 121.784 119.600 -0.038 0.000 2.254 269 M HA -0.009 4.471 4.480 -0.000 0.000 0.265 269 M C 1.511 177.731 176.300 -0.133 0.000 1.066 269 M CA 1.112 56.377 55.300 -0.058 0.000 1.123 269 M CB -0.365 32.188 32.600 -0.078 0.000 1.388 269 M HN 0.547 nan 8.290 nan 0.000 0.425 270 V N -4.096 115.702 119.914 -0.193 0.000 3.473 270 V HA 0.525 4.645 4.120 -0.000 0.000 0.253 270 V C 0.841 176.911 176.094 -0.040 0.000 1.340 270 V CA 0.070 62.133 62.300 -0.395 0.000 1.103 270 V CB -0.513 30.867 31.823 -0.738 0.000 0.881 270 V HN 0.114 nan 8.190 nan 0.000 0.451 271 A N 2.937 125.764 122.820 0.011 0.000 2.306 271 A HA 0.858 5.178 4.320 -0.000 0.000 0.314 271 A C -2.519 175.112 177.584 0.079 0.000 1.164 271 A CA -1.732 50.354 52.037 0.083 0.000 0.822 271 A CB 0.261 19.293 19.000 0.054 0.000 1.130 271 A HN 0.396 nan 8.150 nan 0.000 0.496 272 P HA 0.142 nan 4.420 nan 0.000 0.274 272 P C 0.624 177.921 177.300 -0.006 0.000 1.231 272 P CA -0.079 63.040 63.100 0.031 0.000 0.790 272 P CB 1.425 33.141 31.700 0.027 0.000 0.951 273 S N 0.918 116.591 115.700 -0.046 0.000 2.478 273 S HA 0.163 4.633 4.470 -0.000 0.000 0.222 273 S C 1.615 176.177 174.600 -0.063 0.000 1.008 273 S CA 0.914 59.087 58.200 -0.045 0.000 0.928 273 S CB -1.010 62.163 63.200 -0.046 0.000 0.781 273 S HN 0.740 nan 8.310 nan 0.000 0.518 274 G N 1.999 110.731 108.800 -0.114 0.000 2.900 274 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.223 274 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.223 274 G C 0.949 175.772 174.900 -0.127 0.000 1.293 274 G CA 0.573 45.603 45.100 -0.117 0.000 0.792 274 G HN 0.462 nan 8.290 nan 0.000 0.527 275 E N 1.914 122.058 120.200 -0.093 0.000 2.070 275 E HA -0.115 4.235 4.350 -0.000 0.000 0.197 275 E C 2.648 179.183 176.600 -0.108 0.000 1.004 275 E CA 2.534 58.884 56.400 -0.083 0.000 0.805 275 E CB -1.056 28.608 29.700 -0.059 0.000 0.744 275 E HN 0.692 nan 8.360 nan 0.000 0.451 276 G N 0.688 109.410 108.800 -0.131 0.000 2.418 276 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 276 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 276 G C 1.758 176.532 174.900 -0.211 0.000 1.158 276 G CA 1.512 46.526 45.100 -0.142 0.000 0.771 276 G HN 0.447 nan 8.290 nan 0.000 0.545 277 A N 0.119 122.718 122.820 -0.368 0.000 1.902 277 A HA 0.085 4.405 4.320 -0.000 0.000 0.217 277 A C 2.608 180.073 177.584 -0.198 0.000 1.181 277 A CA 1.783 53.494 52.037 -0.544 0.000 0.623 277 A CB -0.611 17.823 19.000 -0.943 0.000 0.818 277 A HN 0.252 nan 8.150 nan 0.000 0.443 278 V N 0.049 119.878 119.914 -0.142 0.000 2.295 278 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 278 V C 2.637 178.688 176.094 -0.071 0.000 1.049 278 V CA 2.315 64.567 62.300 -0.080 0.000 1.024 278 V CB -0.808 30.972 31.823 -0.071 0.000 0.648 278 V HN 0.530 nan 8.190 nan 0.000 0.447 279 R N -1.112 119.342 120.500 -0.077 0.000 2.120 279 R HA -0.189 4.151 4.340 -0.000 0.000 0.234 279 R C 2.393 178.663 176.300 -0.050 0.000 1.123 279 R CA 1.684 57.745 56.100 -0.065 0.000 0.975 279 R CB -0.810 29.451 30.300 -0.066 0.000 0.866 279 R HN 0.582 nan 8.270 nan 0.000 0.446 280 C N 0.577 119.857 119.300 -0.034 0.000 2.453 280 C HA -0.023 4.437 4.460 -0.000 0.000 0.277 280 C C 2.595 177.611 174.990 0.043 0.000 1.262 280 C CA 0.684 59.711 59.018 0.014 0.000 1.718 280 C CB -0.635 27.158 27.740 0.087 0.000 2.031 280 C HN 0.453 nan 8.230 nan 0.000 0.480 281 M N 0.278 119.917 119.600 0.065 0.000 2.117 281 M HA -0.155 4.325 4.480 -0.000 0.000 0.262 281 M C 2.265 178.556 176.300 -0.016 0.000 1.065 281 M CA 1.860 57.195 55.300 0.059 0.000 1.114 281 M CB -0.473 32.172 32.600 0.075 0.000 1.361 281 M HN 0.368 nan 8.290 nan 0.000 0.408 282 K N -0.026 120.342 120.400 -0.052 0.000 2.097 282 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 282 K C 1.982 178.581 176.600 -0.002 0.000 1.049 282 K CA 1.376 57.630 56.287 -0.055 0.000 0.933 282 K CB -0.239 32.224 32.500 -0.062 0.000 0.717 282 K HN 0.366 nan 8.250 nan 0.000 0.442 283 M N 0.536 120.125 119.600 -0.018 0.000 2.117 283 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 283 M C 2.108 178.420 176.300 0.020 0.000 1.065 283 M CA 1.683 56.970 55.300 -0.023 0.000 1.114 283 M CB -0.081 32.476 32.600 -0.072 0.000 1.361 283 M HN 0.170 nan 8.290 nan 0.000 0.408 284 A N 0.113 122.947 122.820 0.024 0.000 2.015 284 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 284 A C 1.887 179.511 177.584 0.067 0.000 1.163 284 A CA 1.484 53.555 52.037 0.057 0.000 0.646 284 A CB -0.586 18.458 19.000 0.073 0.000 0.806 284 A HN 0.653 nan 8.150 nan 0.000 0.448 285 M N -1.121 118.510 119.600 0.052 0.000 2.502 285 M HA 0.069 4.549 4.480 -0.000 0.000 0.243 285 M C 0.675 176.999 176.300 0.040 0.000 1.130 285 M CA 0.072 55.394 55.300 0.037 0.000 1.055 285 M CB 0.054 32.645 32.600 -0.015 0.000 1.457 285 M HN 0.418 nan 8.290 nan 0.000 0.488 286 H N 0.657 119.715 119.070 -0.019 0.000 2.929 286 H HA 0.082 4.638 4.556 -0.000 0.000 0.317 286 H C 1.025 176.349 175.328 -0.007 0.000 1.031 286 H CA 1.775 57.811 56.048 -0.020 0.000 1.466 286 H CB 0.617 30.364 29.762 -0.024 0.000 1.482 286 H HN 0.556 nan 8.280 nan 0.000 0.561 287 G N 4.047 112.587 108.800 -0.432 0.000 2.184 287 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.264 287 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.264 287 G C 0.218 175.061 174.900 -0.095 0.000 0.975 287 G CA 0.311 45.272 45.100 -0.233 0.000 0.642 287 G HN 0.599 nan 8.290 nan 0.000 0.536 288 V N 2.634 122.511 119.914 -0.060 0.000 2.427 288 V HA 0.357 4.477 4.120 -0.000 0.000 0.268 288 V C 1.087 177.167 176.094 -0.024 0.000 1.046 288 V CA 0.468 62.757 62.300 -0.018 0.000 0.970 288 V CB 1.362 33.192 31.823 0.012 0.000 1.001 288 V HN 0.491 nan 8.190 nan 0.000 0.476 289 D N 2.479 122.868 120.400 -0.018 0.000 2.336 289 D HA 0.018 4.658 4.640 -0.000 0.000 0.228 289 D C 0.615 176.914 176.300 -0.001 0.000 1.120 289 D CA -0.021 53.968 54.000 -0.018 0.000 0.839 289 D CB 0.051 40.838 40.800 -0.021 0.000 0.932 289 D HN 0.586 nan 8.370 nan 0.000 0.509 290 T N -2.696 111.864 114.554 0.010 0.000 2.907 290 T HA 0.610 4.960 4.350 -0.000 0.000 0.292 290 T C -2.800 171.925 174.700 0.040 0.000 1.043 290 T CA -1.759 60.354 62.100 0.022 0.000 1.003 290 T CB 2.207 71.088 68.868 0.021 0.000 1.084 290 T HN -0.174 nan 8.240 nan 0.000 0.483 291 P HA 0.322 nan 4.420 nan 0.000 0.274 291 P C -0.424 176.925 177.300 0.082 0.000 1.237 291 P CA -0.678 62.468 63.100 0.078 0.000 0.793 291 P CB 0.496 32.232 31.700 0.061 0.000 0.977 292 I N 2.824 123.472 120.570 0.128 0.000 2.452 292 I HA 0.009 4.179 4.170 -0.000 0.000 0.287 292 I C 1.273 177.392 176.117 0.004 0.000 1.079 292 I CA 0.404 61.755 61.300 0.085 0.000 1.387 292 I CB -0.100 37.991 38.000 0.151 0.000 1.404 292 I HN 0.321 nan 8.210 nan 0.000 0.522 293 D N 5.043 125.457 120.400 0.023 0.000 2.271 293 D HA -0.057 4.583 4.640 -0.000 0.000 0.206 293 D C 0.008 176.346 176.300 0.063 0.000 0.967 293 D CA 1.193 55.210 54.000 0.028 0.000 0.867 293 D CB 0.457 41.285 40.800 0.046 0.000 0.960 293 D HN 0.527 nan 8.370 nan 0.000 0.509 294 Y N 0.339 120.591 120.300 -0.080 0.000 2.479 294 Y HA 0.458 5.008 4.550 -0.000 0.000 0.338 294 Y C -2.095 173.757 175.900 -0.080 0.000 1.055 294 Y CA -1.140 56.905 58.100 -0.092 0.000 1.023 294 Y CB 1.329 39.734 38.460 -0.091 0.000 1.287 294 Y HN -0.233 nan 8.280 nan 0.000 0.447 295 L N 7.148 127.741 121.223 -1.050 0.000 2.343 295 L HA 0.496 4.836 4.340 -0.000 0.000 0.278 295 L C -1.130 175.104 176.870 -1.061 0.000 0.996 295 L CA -0.531 53.823 54.840 -0.810 0.000 0.831 295 L CB 0.990 42.803 42.059 -0.409 0.000 1.232 295 L HN 0.816 nan 8.230 nan 0.000 0.413 296 N N 3.642 121.899 118.700 -0.740 0.000 2.439 296 N HA 0.118 4.858 4.740 -0.000 0.000 0.243 296 N C -0.362 175.049 175.510 -0.165 0.000 1.088 296 N CA -0.222 52.651 53.050 -0.295 0.000 0.940 296 N CB 0.972 39.456 38.487 -0.006 0.000 1.180 296 N HN 0.728 nan 8.380 nan 0.000 0.505 297 S N 2.627 118.273 115.700 -0.091 0.000 2.600 297 S HA -0.000 4.470 4.470 -0.000 0.000 0.265 297 S C 1.329 175.883 174.600 -0.076 0.000 1.325 297 S CA -0.279 57.901 58.200 -0.033 0.000 1.002 297 S CB 1.238 64.511 63.200 0.121 0.000 0.921 297 S HN 0.746 nan 8.310 nan 0.000 0.554 298 H N 2.154 121.099 119.070 -0.208 0.000 2.321 298 H HA 0.113 4.669 4.556 -0.000 0.000 0.300 298 H C 1.524 176.734 175.328 -0.196 0.000 1.087 298 H CA 1.522 57.410 56.048 -0.267 0.000 1.319 298 H CB -1.099 28.463 29.762 -0.334 0.000 1.379 298 H HN 1.105 nan 8.280 nan 0.000 0.501 299 G N 0.680 109.362 108.800 -0.198 0.000 2.130 299 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.234 299 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.234 299 G C 0.958 175.602 174.900 -0.428 0.000 0.562 299 G CA 0.985 45.906 45.100 -0.299 0.000 1.039 299 G HN 0.818 nan 8.290 nan 0.000 0.378 300 T N -1.682 112.621 114.554 -0.419 0.000 3.081 300 T HA 0.419 4.769 4.350 -0.000 0.000 0.250 300 T C 1.309 175.951 174.700 -0.096 0.000 1.100 300 T CA 1.031 62.917 62.100 -0.357 0.000 1.038 300 T CB 0.363 69.012 68.868 -0.364 0.000 0.962 300 T HN 1.771 nan 8.240 nan 0.000 0.516 301 S N 0.732 116.363 115.700 -0.114 0.000 3.619 301 S HA -0.122 4.348 4.470 -0.000 0.000 0.287 301 S C 0.185 174.823 174.600 0.063 0.000 1.222 301 S CA 0.551 58.724 58.200 -0.045 0.000 0.821 301 S CB -2.107 61.086 63.200 -0.011 0.000 0.985 301 S HN 1.255 nan 8.310 nan 0.000 0.611 302 T N -0.862 113.744 114.554 0.086 0.000 2.824 302 T HA 0.678 5.028 4.350 -0.000 0.000 0.280 302 T C -1.402 173.367 174.700 0.116 0.000 0.995 302 T CA -1.685 60.504 62.100 0.149 0.000 1.009 302 T CB 1.716 70.723 68.868 0.231 0.000 0.955 302 T HN -0.072 nan 8.240 nan 0.000 0.452 303 P HA -0.150 nan 4.420 nan 0.000 0.215 303 P C 1.675 179.036 177.300 0.102 0.000 1.163 303 P CA 0.734 63.891 63.100 0.095 0.000 0.894 303 P CB -0.005 31.746 31.700 0.086 0.000 0.791 304 V N -0.575 119.406 119.914 0.112 0.000 2.346 304 V HA -0.087 4.033 4.120 -0.000 0.000 0.244 304 V C 2.584 178.758 176.094 0.133 0.000 1.037 304 V CA 2.424 64.790 62.300 0.109 0.000 1.029 304 V CB -1.823 30.061 31.823 0.102 0.000 0.663 304 V HN 0.173 nan 8.190 nan 0.000 0.454 305 G N -0.266 108.634 108.800 0.166 0.000 2.418 305 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 305 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 305 G C 1.196 176.219 174.900 0.206 0.000 1.158 305 G CA 1.059 46.282 45.100 0.206 0.000 0.771 305 G HN 0.495 nan 8.290 nan 0.000 0.545 306 D N 0.261 120.759 120.400 0.164 0.000 2.097 306 D HA -0.123 4.517 4.640 -0.000 0.000 0.195 306 D C 2.911 179.377 176.300 0.275 0.000 0.989 306 D CA 1.704 55.815 54.000 0.184 0.000 0.827 306 D CB -0.534 40.317 40.800 0.086 0.000 0.966 306 D HN 0.361 nan 8.370 nan 0.000 0.456 307 V N -1.187 118.849 119.914 0.202 0.000 2.871 307 V HA -0.001 4.119 4.120 -0.000 0.000 0.256 307 V C 2.128 178.300 176.094 0.129 0.000 1.082 307 V CA 0.980 63.377 62.300 0.162 0.000 1.105 307 V CB -0.436 31.458 31.823 0.118 0.000 0.713 307 V HN -0.102 nan 8.190 nan 0.000 0.473 308 K N 1.303 121.779 120.400 0.128 0.000 2.057 308 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 308 K C 2.263 178.926 176.600 0.106 0.000 1.049 308 K CA 2.071 58.416 56.287 0.095 0.000 0.931 308 K CB -0.404 32.148 32.500 0.087 0.000 0.714 308 K HN 0.713 nan 8.250 nan 0.000 0.440 309 E N 0.021 120.330 120.200 0.181 0.000 2.077 309 E HA -0.171 4.178 4.350 -0.000 0.000 0.193 309 E C 1.856 178.571 176.600 0.191 0.000 0.989 309 E CA 1.069 57.611 56.400 0.237 0.000 0.800 309 E CB -0.050 29.882 29.700 0.387 0.000 0.746 309 E HN 0.275 nan 8.360 nan 0.000 0.452 310 L N 0.385 121.709 121.223 0.167 0.000 2.083 310 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 310 L C 2.697 179.610 176.870 0.072 0.000 1.083 310 L CA 1.037 55.930 54.840 0.088 0.000 0.752 310 L CB -0.562 41.514 42.059 0.028 0.000 0.899 310 L HN 0.231 nan 8.230 nan 0.000 0.433 311 A N 0.137 122.998 122.820 0.069 0.000 1.902 311 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 311 A C 2.548 180.162 177.584 0.049 0.000 1.181 311 A CA 1.718 53.784 52.037 0.049 0.000 0.623 311 A CB -0.611 18.412 19.000 0.038 0.000 0.818 311 A HN 0.404 nan 8.150 nan 0.000 0.443 312 A N -0.068 122.784 122.820 0.053 0.000 1.902 312 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 312 A C 2.111 179.750 177.584 0.093 0.000 1.181 312 A CA 1.468 53.529 52.037 0.040 0.000 0.623 312 A CB -0.597 18.402 19.000 -0.001 0.000 0.818 312 A HN 0.492 nan 8.150 nan 0.000 0.443 313 I N -0.703 119.959 120.570 0.154 0.000 2.163 313 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 313 I C 2.766 179.039 176.117 0.260 0.000 1.085 313 I CA 1.454 62.911 61.300 0.262 0.000 1.347 313 I CB -0.347 37.772 38.000 0.197 0.000 1.044 313 I HN 0.304 nan 8.210 nan 0.000 0.408 314 R N 0.325 120.907 120.500 0.138 0.000 2.091 314 R HA -0.242 4.098 4.340 -0.000 0.000 0.238 314 R C 2.230 178.583 176.300 0.088 0.000 1.136 314 R CA 1.758 57.922 56.100 0.106 0.000 0.959 314 R CB -0.385 29.948 30.300 0.056 0.000 0.856 314 R HN 0.314 nan 8.270 nan 0.000 0.437 315 E N 0.710 120.943 120.200 0.055 0.000 2.072 315 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 315 E C 1.848 178.435 176.600 -0.022 0.000 0.985 315 E CA 1.119 57.527 56.400 0.013 0.000 0.801 315 E CB -0.008 29.690 29.700 -0.004 0.000 0.750 315 E HN 0.047 nan 8.360 nan 0.000 0.452 316 V N -0.230 119.654 119.914 -0.050 0.000 2.307 316 V HA -0.178 3.942 4.120 -0.000 0.000 0.245 316 V C 1.842 177.739 176.094 -0.327 0.000 1.045 316 V CA 1.915 64.065 62.300 -0.250 0.000 1.024 316 V CB -0.485 31.091 31.823 -0.411 0.000 0.651 316 V HN 0.273 nan 8.190 nan 0.000 0.449 317 F N -0.414 119.537 119.950 0.002 0.000 2.656 317 F HA 0.490 5.017 4.527 -0.000 0.000 0.291 317 F C 1.752 177.550 175.800 -0.003 0.000 1.122 317 F CA 0.698 58.697 58.000 -0.001 0.000 1.427 317 F CB -0.392 38.605 39.000 -0.005 0.000 1.125 317 F HN 0.295 nan 8.300 nan 0.000 0.583 318 G N 1.070 109.962 108.800 0.152 0.000 2.550 318 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.277 318 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.277 318 G C 0.784 175.737 174.900 0.090 0.000 1.190 318 G CA 0.541 45.694 45.100 0.088 0.000 0.971 318 G HN 0.360 nan 8.290 nan 0.000 0.559 319 D N -0.350 120.087 120.400 0.061 0.000 2.348 319 D HA 0.325 4.965 4.640 -0.000 0.000 0.216 319 D C 1.571 177.896 176.300 0.042 0.000 0.970 319 D CA 1.993 56.018 54.000 0.042 0.000 0.889 319 D CB -0.212 40.604 40.800 0.028 0.000 0.912 319 D HN 0.654 nan 8.370 nan 0.000 0.524 320 K N 0.850 121.294 120.400 0.073 0.000 2.655 320 K HA 0.464 4.784 4.320 -0.000 0.000 0.213 320 K C -0.063 176.576 176.600 0.065 0.000 1.126 320 K CA -0.073 56.251 56.287 0.062 0.000 1.076 320 K CB 0.209 32.752 32.500 0.071 0.000 1.644 320 K HN 0.639 nan 8.250 nan 0.000 0.523 321 S N 1.030 116.713 115.700 -0.029 0.000 2.616 321 S HA 0.586 5.056 4.470 -0.000 0.000 0.277 321 S C -1.882 172.507 174.600 -0.352 0.000 1.234 321 S CA -1.263 56.783 58.200 -0.258 0.000 1.028 321 S CB 0.741 63.837 63.200 -0.174 0.000 0.988 321 S HN 0.327 nan 8.310 nan 0.000 0.522 322 P HA 0.330 nan 4.420 nan 0.000 0.274 322 P C -0.426 176.737 177.300 -0.229 0.000 1.256 322 P CA -0.522 62.355 63.100 -0.372 0.000 0.795 322 P CB 0.152 31.568 31.700 -0.473 0.000 1.038 323 A N 1.007 123.768 122.820 -0.099 0.000 2.498 323 A HA 0.353 4.673 4.320 -0.000 0.000 0.239 323 A C 0.252 177.813 177.584 -0.037 0.000 1.068 323 A CA 0.139 52.169 52.037 -0.012 0.000 0.766 323 A CB -0.812 18.246 19.000 0.098 0.000 1.003 323 A HN 0.453 nan 8.150 nan 0.000 0.497 324 I N 1.595 122.149 120.570 -0.027 0.000 2.545 324 I HA 0.497 4.666 4.170 -0.000 0.000 0.292 324 I C 0.114 176.294 176.117 0.105 0.000 1.040 324 I CA -0.171 61.084 61.300 -0.075 0.000 1.068 324 I CB 2.498 40.422 38.000 -0.126 0.000 1.251 324 I HN 0.775 nan 8.210 nan 0.000 0.424 325 S N 3.733 119.545 115.700 0.187 0.000 2.564 325 S HA 0.855 5.325 4.470 -0.000 0.000 0.274 325 S C -0.897 173.818 174.600 0.192 0.000 1.124 325 S CA -0.862 57.479 58.200 0.235 0.000 0.869 325 S CB 2.047 65.393 63.200 0.243 0.000 1.105 325 S HN 0.739 nan 8.310 nan 0.000 0.472 326 A N 1.828 124.750 122.820 0.169 0.000 2.322 326 A HA 0.572 4.892 4.320 -0.000 0.000 0.327 326 A C 1.144 178.726 177.584 -0.004 0.000 1.394 326 A CA -0.249 51.809 52.037 0.035 0.000 0.921 326 A CB -0.402 18.526 19.000 -0.120 0.000 1.153 326 A HN 1.240 nan 8.150 nan 0.000 0.523 327 T N -0.128 114.435 114.554 0.015 0.000 3.051 327 T HA -0.088 4.262 4.350 -0.000 0.000 0.269 327 T C 1.324 175.987 174.700 -0.061 0.000 1.127 327 T CA 1.204 63.288 62.100 -0.026 0.000 1.107 327 T CB -0.306 68.552 68.868 -0.018 0.000 0.898 327 T HN 0.629 nan 8.240 nan 0.000 0.517 328 K N 1.126 121.476 120.400 -0.083 0.000 2.283 328 K HA 0.172 4.492 4.320 -0.000 0.000 0.202 328 K C 2.601 179.153 176.600 -0.080 0.000 1.048 328 K CA 0.861 57.088 56.287 -0.101 0.000 0.948 328 K CB -0.322 32.058 32.500 -0.200 0.000 0.742 328 K HN 0.487 nan 8.250 nan 0.000 0.458 329 A N 0.959 123.726 122.820 -0.088 0.000 2.019 329 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 329 A C 2.005 179.558 177.584 -0.052 0.000 1.164 329 A CA 1.312 53.306 52.037 -0.072 0.000 0.644 329 A CB -0.277 18.681 19.000 -0.071 0.000 0.805 329 A HN 0.191 nan 8.150 nan 0.000 0.449 330 M N -1.025 118.538 119.600 -0.062 0.000 2.325 330 M HA -0.049 4.431 4.480 -0.000 0.000 0.265 330 M C 2.210 178.478 176.300 -0.053 0.000 1.094 330 M CA 1.738 56.999 55.300 -0.065 0.000 1.161 330 M CB -0.083 32.453 32.600 -0.106 0.000 1.358 330 M HN 0.595 nan 8.290 nan 0.000 0.446 331 T N -2.754 111.767 114.554 -0.055 0.000 3.014 331 T HA 0.448 4.798 4.350 -0.000 0.000 0.250 331 T C 1.045 175.756 174.700 0.018 0.000 1.060 331 T CA 0.301 62.386 62.100 -0.025 0.000 1.040 331 T CB -0.015 68.855 68.868 0.003 0.000 0.971 331 T HN 0.532 nan 8.240 nan 0.000 0.497 332 G N 1.337 110.152 108.800 0.025 0.000 2.796 332 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.226 332 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.226 332 G C -0.814 174.128 174.900 0.070 0.000 1.381 332 G CA -0.281 44.864 45.100 0.076 0.000 0.867 332 G HN 0.840 nan 8.290 nan 0.000 0.552 333 H N 0.569 119.611 119.070 -0.047 0.000 2.623 333 H HA 0.607 5.163 4.556 -0.000 0.000 0.299 333 H C 1.450 176.668 175.328 -0.182 0.000 1.052 333 H CA -0.154 55.767 56.048 -0.213 0.000 1.231 333 H CB 0.668 30.109 29.762 -0.535 0.000 1.389 333 H HN 0.840 nan 8.280 nan 0.000 0.469 334 S N 4.874 120.651 115.700 0.130 0.000 2.660 334 S HA 0.185 4.655 4.470 -0.000 0.000 0.227 334 S C 1.149 175.703 174.600 -0.076 0.000 0.948 334 S CA -0.070 58.122 58.200 -0.014 0.000 0.948 334 S CB -0.535 62.657 63.200 -0.013 0.000 0.779 334 S HN 0.717 nan 8.310 nan 0.000 0.487 335 L N -0.297 120.806 121.223 -0.200 0.000 5.895 335 L HA -0.323 4.017 4.340 -0.000 0.000 0.053 335 L C 2.173 179.004 176.870 -0.065 0.000 2.741 335 L CA 1.303 55.953 54.840 -0.317 0.000 1.500 335 L CB -2.044 39.809 42.059 -0.344 0.000 2.928 335 L HN 0.421 nan 8.230 nan 0.000 1.023 336 G N -0.986 107.793 108.800 -0.034 0.000 2.470 336 G HA2 0.044 4.003 3.960 -0.000 0.000 0.220 336 G HA3 0.044 4.003 3.960 -0.000 0.000 0.220 336 G C 1.229 176.134 174.900 0.008 0.000 1.121 336 G CA 1.288 46.396 45.100 0.013 0.000 0.766 336 G HN 0.869 nan 8.290 nan 0.000 0.553 337 A N 0.266 123.084 122.820 -0.004 0.000 2.218 337 A HA 0.648 4.967 4.320 -0.000 0.000 0.209 337 A C 2.507 180.060 177.584 -0.051 0.000 1.168 337 A CA 1.267 53.291 52.037 -0.021 0.000 0.804 337 A CB -0.170 18.819 19.000 -0.018 0.000 0.834 337 A HN 0.501 nan 8.150 nan 0.000 0.482 338 A N -0.062 122.743 122.820 -0.025 0.000 1.898 338 A HA 0.173 4.493 4.320 -0.000 0.000 0.216 338 A C 2.291 179.814 177.584 -0.103 0.000 1.181 338 A CA 1.706 53.717 52.037 -0.043 0.000 0.620 338 A CB -1.136 17.877 19.000 0.022 0.000 0.819 338 A HN 0.616 nan 8.150 nan 0.000 0.442 339 G N -0.823 107.926 108.800 -0.085 0.000 2.421 339 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.216 339 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.216 339 G C 1.637 176.448 174.900 -0.148 0.000 1.171 339 G CA 1.249 46.281 45.100 -0.113 0.000 0.775 339 G HN 0.531 nan 8.290 nan 0.000 0.543 340 V N 0.148 119.978 119.914 -0.140 0.000 2.453 340 V HA -0.108 4.012 4.120 -0.000 0.000 0.247 340 V C 2.717 178.655 176.094 -0.260 0.000 1.048 340 V CA 2.411 64.611 62.300 -0.166 0.000 1.049 340 V CB -0.232 31.517 31.823 -0.123 0.000 0.672 340 V HN 0.501 nan 8.190 nan 0.000 0.457 341 Q N -0.414 119.199 119.800 -0.311 0.000 2.084 341 Q HA -0.237 4.103 4.340 -0.000 0.000 0.202 341 Q C 2.152 177.552 176.000 -1.000 0.000 0.978 341 Q CA 2.125 57.577 55.803 -0.585 0.000 0.844 341 Q CB -0.120 28.343 28.738 -0.458 0.000 0.898 341 Q HN 0.721 nan 8.270 nan 0.000 0.426 342 E N 0.372 120.223 120.200 -0.581 0.000 2.152 342 E HA -0.100 4.250 4.350 -0.000 0.000 0.192 342 E C 1.914 178.379 176.600 -0.224 0.000 0.983 342 E CA 0.657 56.838 56.400 -0.365 0.000 0.818 342 E CB -0.027 29.600 29.700 -0.122 0.000 0.758 342 E HN 0.326 nan 8.360 nan 0.000 0.467 343 A N 1.200 123.887 122.820 -0.221 0.000 1.902 343 A HA -0.175 4.144 4.320 -0.000 0.000 0.217 343 A C 2.151 179.635 177.584 -0.167 0.000 1.181 343 A CA 1.046 52.991 52.037 -0.152 0.000 0.623 343 A CB -0.526 18.386 19.000 -0.148 0.000 0.818 343 A HN 0.139 nan 8.150 nan 0.000 0.443 344 I N -1.474 118.938 120.570 -0.264 0.000 2.226 344 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 344 I C 2.338 178.404 176.117 -0.084 0.000 1.100 344 I CA 1.264 62.428 61.300 -0.226 0.000 1.374 344 I CB -0.459 37.381 38.000 -0.266 0.000 1.057 344 I HN 0.386 nan 8.210 nan 0.000 0.413 345 Y N 0.779 121.057 120.300 -0.038 0.000 2.165 345 Y HA -0.207 4.343 4.550 -0.000 0.000 0.286 345 Y C 2.933 178.812 175.900 -0.035 0.000 1.155 345 Y CA 0.886 58.975 58.100 -0.018 0.000 1.164 345 Y CB -1.442 37.013 38.460 -0.008 0.000 0.978 345 Y HN 0.107 nan 8.280 nan 0.000 0.513 346 S N 0.084 115.859 115.700 0.125 0.000 2.382 346 S HA -0.130 4.340 4.470 -0.000 0.000 0.228 346 S C 2.153 176.772 174.600 0.033 0.000 1.027 346 S CA 1.120 59.382 58.200 0.103 0.000 0.991 346 S CB -0.618 62.655 63.200 0.121 0.000 0.823 346 S HN 0.354 nan 8.310 nan 0.000 0.469 347 L N 0.915 122.141 121.223 0.005 0.000 2.093 347 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 347 L C 2.141 179.055 176.870 0.072 0.000 1.085 347 L CA 0.871 55.712 54.840 0.002 0.000 0.755 347 L CB -0.492 41.497 42.059 -0.116 0.000 0.904 347 L HN 0.282 nan 8.230 nan 0.000 0.435 348 L N -1.174 120.112 121.223 0.104 0.000 2.093 348 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 348 L C 2.607 179.631 176.870 0.256 0.000 1.085 348 L CA 1.153 56.165 54.840 0.286 0.000 0.755 348 L CB -0.333 41.904 42.059 0.297 0.000 0.904 348 L HN 0.299 nan 8.230 nan 0.000 0.435 349 M N -0.820 118.720 119.600 -0.100 0.000 2.117 349 M HA -0.226 4.254 4.480 -0.000 0.000 0.262 349 M C 2.310 178.486 176.300 -0.207 0.000 1.065 349 M CA 1.597 56.567 55.300 -0.550 0.000 1.114 349 M CB -0.335 31.776 32.600 -0.815 0.000 1.361 349 M HN 0.216 nan 8.290 nan 0.000 0.408 350 L N 0.640 121.819 121.223 -0.073 0.000 2.046 350 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 350 L C 2.229 179.115 176.870 0.027 0.000 1.077 350 L CA 2.019 56.854 54.840 -0.008 0.000 0.747 350 L CB -0.595 41.481 42.059 0.028 0.000 0.896 350 L HN 0.222 nan 8.230 nan 0.000 0.432 351 E N -1.453 118.786 120.200 0.065 0.000 2.150 351 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 351 E C 1.610 178.076 176.600 -0.225 0.000 0.985 351 E CA 1.414 57.791 56.400 -0.039 0.000 0.814 351 E CB -0.047 29.684 29.700 0.051 0.000 0.752 351 E HN 0.636 nan 8.360 nan 0.000 0.466 352 H N -1.595 117.590 119.070 0.193 0.000 2.755 352 H HA 0.295 4.851 4.556 -0.000 0.000 0.273 352 H C 0.540 176.025 175.328 0.263 0.000 1.055 352 H CA 0.493 56.679 56.048 0.231 0.000 1.191 352 H CB 0.927 30.870 29.762 0.303 0.000 1.536 352 H HN 0.250 nan 8.280 nan 0.000 0.529 353 G N 2.079 111.019 108.800 0.234 0.000 2.324 353 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.292 353 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.292 353 G C -0.266 174.773 174.900 0.232 0.000 1.079 353 G CA 0.670 45.860 45.100 0.150 0.000 1.026 353 G HN 0.457 nan 8.290 nan 0.000 0.506 354 F N -1.914 118.020 119.950 -0.027 0.000 2.686 354 F HA 0.826 5.353 4.527 -0.000 0.000 0.311 354 F C -0.827 174.874 175.800 -0.166 0.000 1.128 354 F CA -2.803 55.156 58.000 -0.069 0.000 0.946 354 F CB 1.064 40.035 39.000 -0.047 0.000 1.336 354 F HN 0.050 nan 8.300 nan 0.000 0.457 355 I N 2.736 123.129 120.570 -0.293 0.000 2.339 355 I HA 0.631 4.801 4.170 -0.000 0.000 0.290 355 I C 0.204 176.207 176.117 -0.190 0.000 0.994 355 I CA -1.032 59.962 61.300 -0.510 0.000 1.191 355 I CB 1.573 39.398 38.000 -0.291 0.000 1.343 355 I HN 0.958 nan 8.210 nan 0.000 0.458 356 A N 9.090 131.728 122.820 -0.303 0.000 2.425 356 A HA 0.504 4.824 4.320 -0.000 0.000 0.249 356 A C -2.337 175.259 177.584 0.020 0.000 1.084 356 A CA -1.095 50.961 52.037 0.031 0.000 0.781 356 A CB -0.342 18.659 19.000 0.002 0.000 1.019 356 A HN 0.428 nan 8.150 nan 0.000 0.490 357 P HA 0.123 nan 4.420 nan 0.000 0.275 357 P C -0.309 177.021 177.300 0.050 0.000 1.228 357 P CA -0.205 62.923 63.100 0.047 0.000 0.786 357 P CB 1.048 32.769 31.700 0.034 0.000 0.927 358 S N 2.319 118.063 115.700 0.074 0.000 2.411 358 S HA 0.341 4.811 4.470 -0.000 0.000 0.304 358 S C 0.638 175.273 174.600 0.058 0.000 1.098 358 S CA -0.722 57.531 58.200 0.088 0.000 1.068 358 S CB -1.398 61.905 63.200 0.172 0.000 1.032 358 S HN 0.323 nan 8.310 nan 0.000 0.511 359 I N 2.008 122.590 120.570 0.021 0.000 2.970 359 I HA 0.513 4.683 4.170 -0.000 0.000 0.310 359 I C 0.421 176.537 176.117 -0.002 0.000 1.010 359 I CA -0.634 60.670 61.300 0.006 0.000 1.228 359 I CB 0.385 38.378 38.000 -0.012 0.000 1.433 359 I HN 0.487 nan 8.210 nan 0.000 0.573 360 N N 1.029 119.724 118.700 -0.009 0.000 2.782 360 N HA -0.173 4.567 4.740 -0.000 0.000 0.251 360 N C -0.543 174.964 175.510 -0.004 0.000 1.101 360 N CA 0.988 54.022 53.050 -0.026 0.000 0.764 360 N CB -1.575 36.869 38.487 -0.071 0.000 1.122 360 N HN 0.633 nan 8.380 nan 0.000 0.561 361 I N 1.213 121.800 120.570 0.028 0.000 2.260 361 I HA 0.045 4.215 4.170 -0.000 0.000 0.297 361 I C 1.328 177.475 176.117 0.050 0.000 1.143 361 I CA -0.038 61.295 61.300 0.054 0.000 1.271 361 I CB 0.393 38.444 38.000 0.086 0.000 1.461 361 I HN 0.006 nan 8.210 nan 0.000 0.530 362 E N 3.457 123.692 120.200 0.058 0.000 2.170 362 E HA -0.006 4.344 4.350 -0.000 0.000 0.191 362 E C 0.509 177.157 176.600 0.079 0.000 0.981 362 E CA 0.613 57.052 56.400 0.066 0.000 0.830 362 E CB 0.432 30.178 29.700 0.076 0.000 0.775 362 E HN 0.539 nan 8.360 nan 0.000 0.470 363 E N 0.902 121.157 120.200 0.091 0.000 2.302 363 E HA 0.165 4.515 4.350 -0.000 0.000 0.263 363 E C -1.452 175.176 176.600 0.048 0.000 0.897 363 E CA -0.697 55.746 56.400 0.073 0.000 0.809 363 E CB 1.028 30.787 29.700 0.100 0.000 1.270 363 E HN -0.063 nan 8.360 nan 0.000 0.410 364 L N 4.285 125.534 121.223 0.042 0.000 2.455 364 L HA 0.138 4.478 4.340 -0.000 0.000 0.272 364 L C 0.212 177.099 176.870 0.028 0.000 1.174 364 L CA 0.428 55.294 54.840 0.043 0.000 0.869 364 L CB 0.756 42.831 42.059 0.025 0.000 1.130 364 L HN 0.593 nan 8.230 nan 0.000 0.474 365 D N 3.606 124.034 120.400 0.046 0.000 2.488 365 D HA -0.021 4.619 4.640 -0.000 0.000 0.238 365 D C 1.093 177.403 176.300 0.017 0.000 1.138 365 D CA 0.832 54.851 54.000 0.031 0.000 0.873 365 D CB 1.345 42.191 40.800 0.077 0.000 1.183 365 D HN 0.805 nan 8.370 nan 0.000 0.458 366 E N 3.372 123.577 120.200 0.008 0.000 2.070 366 E HA -0.254 4.096 4.350 -0.000 0.000 0.197 366 E C 1.780 178.385 176.600 0.008 0.000 1.004 366 E CA 1.611 58.015 56.400 0.007 0.000 0.805 366 E CB -0.807 28.897 29.700 0.007 0.000 0.744 366 E HN 0.761 nan 8.360 nan 0.000 0.451 367 Q N -0.921 118.890 119.800 0.018 0.000 2.515 367 Q HA 0.339 4.679 4.340 -0.000 0.000 0.214 367 Q C 1.543 177.548 176.000 0.008 0.000 0.971 367 Q CA 0.386 56.201 55.803 0.020 0.000 0.952 367 Q CB 0.297 29.057 28.738 0.036 0.000 0.999 367 Q HN 0.528 nan 8.270 nan 0.000 0.524 368 A N 0.290 123.105 122.820 -0.009 0.000 2.535 368 A HA 0.518 4.838 4.320 -0.000 0.000 0.273 368 A C 0.561 178.102 177.584 -0.071 0.000 1.267 368 A CA -0.257 51.742 52.037 -0.063 0.000 0.940 368 A CB 0.301 19.248 19.000 -0.088 0.000 1.101 368 A HN 0.255 nan 8.150 nan 0.000 0.521 369 A N -1.222 121.576 122.820 -0.037 0.000 2.351 369 A HA 0.523 4.843 4.320 -0.000 0.000 0.257 369 A C 1.473 179.037 177.584 -0.033 0.000 1.087 369 A CA 0.392 52.411 52.037 -0.031 0.000 0.798 369 A CB -0.251 18.740 19.000 -0.014 0.000 1.033 369 A HN 1.873 nan 8.150 nan 0.000 0.488 370 G N -0.259 108.522 108.800 -0.031 0.000 2.148 370 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.254 370 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.254 370 G C -0.066 174.811 174.900 -0.038 0.000 0.981 370 G CA 0.669 45.754 45.100 -0.026 0.000 0.670 370 G HN 0.753 nan 8.290 nan 0.000 0.528 371 L N -0.919 120.267 121.223 -0.061 0.000 2.271 371 L HA 0.514 4.854 4.340 -0.000 0.000 0.265 371 L C 0.623 177.442 176.870 -0.086 0.000 1.013 371 L CA -0.997 53.793 54.840 -0.084 0.000 0.820 371 L CB 1.757 43.743 42.059 -0.121 0.000 1.352 371 L HN 0.155 nan 8.230 nan 0.000 0.443 372 N N 1.208 119.851 118.700 -0.094 0.000 3.194 372 N HA 0.350 5.090 4.740 -0.000 0.000 0.271 372 N C -0.992 174.475 175.510 -0.071 0.000 1.308 372 N CA -0.349 52.659 53.050 -0.070 0.000 1.042 372 N CB 0.350 38.802 38.487 -0.059 0.000 1.310 372 N HN 0.434 nan 8.380 nan 0.000 0.502 373 I N 2.470 122.988 120.570 -0.087 0.000 2.379 373 I HA 0.084 4.254 4.170 -0.000 0.000 0.290 373 I C 0.191 176.305 176.117 -0.004 0.000 1.063 373 I CA -0.501 60.755 61.300 -0.073 0.000 1.351 373 I CB 1.253 39.160 38.000 -0.156 0.000 1.410 373 I HN 0.040 nan 8.210 nan 0.000 0.505 374 V N 6.136 126.072 119.914 0.037 0.000 2.461 374 V HA 0.106 4.226 4.120 -0.000 0.000 0.275 374 V C 1.129 177.256 176.094 0.055 0.000 1.047 374 V CA 0.064 62.391 62.300 0.046 0.000 0.955 374 V CB 1.198 33.058 31.823 0.060 0.000 0.988 374 V HN 0.924 nan 8.190 nan 0.000 0.471 375 T N 0.046 114.625 114.554 0.041 0.000 3.040 375 T HA 0.232 4.582 4.350 -0.000 0.000 0.266 375 T C 0.213 174.932 174.700 0.032 0.000 1.005 375 T CA -0.159 61.966 62.100 0.042 0.000 0.906 375 T CB 0.367 69.257 68.868 0.037 0.000 1.082 375 T HN 0.497 nan 8.240 nan 0.000 0.531 376 E N 0.922 121.140 120.200 0.030 0.000 2.314 376 E HA 0.498 4.848 4.350 -0.000 0.000 0.272 376 E C -0.732 175.890 176.600 0.036 0.000 0.884 376 E CA -0.944 55.472 56.400 0.026 0.000 0.753 376 E CB 1.536 31.247 29.700 0.018 0.000 1.213 376 E HN 0.385 nan 8.360 nan 0.000 0.432 377 T N 2.555 117.132 114.554 0.040 0.000 2.866 377 T HA 0.167 4.517 4.350 -0.000 0.000 0.293 377 T C -0.074 174.667 174.700 0.068 0.000 1.005 377 T CA 0.533 62.677 62.100 0.074 0.000 1.162 377 T CB 0.074 68.968 68.868 0.044 0.000 0.968 377 T HN 0.439 nan 8.240 nan 0.000 0.530 378 T N 4.136 118.748 114.554 0.097 0.000 2.890 378 T HA 0.229 4.579 4.350 -0.000 0.000 0.295 378 T C -0.510 174.249 174.700 0.098 0.000 0.993 378 T CA -0.916 61.224 62.100 0.066 0.000 0.979 378 T CB 1.075 69.963 68.868 0.035 0.000 0.967 378 T HN 0.458 nan 8.240 nan 0.000 0.441 379 D N 2.909 123.360 120.400 0.084 0.000 2.390 379 D HA 0.359 4.999 4.640 -0.000 0.000 0.249 379 D C 0.375 176.712 176.300 0.062 0.000 1.144 379 D CA 0.184 54.243 54.000 0.099 0.000 0.880 379 D CB 1.038 41.878 40.800 0.067 0.000 1.182 379 D HN 0.396 nan 8.370 nan 0.000 0.451 380 R N 1.290 121.826 120.500 0.060 0.000 2.579 380 R HA 0.063 4.403 4.340 -0.000 0.000 0.260 380 R C -1.301 175.014 176.300 0.025 0.000 1.103 380 R CA -0.618 55.499 56.100 0.028 0.000 0.942 380 R CB 1.249 31.553 30.300 0.007 0.000 1.251 380 R HN 0.105 nan 8.270 nan 0.000 0.450 381 E N 4.698 124.911 120.200 0.021 0.000 2.029 381 E HA 0.143 4.493 4.350 -0.000 0.000 0.276 381 E C -0.400 176.206 176.600 0.010 0.000 1.163 381 E CA 0.066 56.477 56.400 0.018 0.000 0.909 381 E CB 0.368 30.078 29.700 0.016 0.000 1.046 381 E HN 0.381 nan 8.360 nan 0.000 0.406 382 L N 1.700 122.925 121.223 0.004 0.000 2.343 382 L HA 0.320 4.660 4.340 -0.000 0.000 0.275 382 L C 1.394 178.272 176.870 0.013 0.000 1.056 382 L CA -0.302 54.541 54.840 0.006 0.000 0.804 382 L CB 1.259 43.311 42.059 -0.012 0.000 1.203 382 L HN 0.357 nan 8.230 nan 0.000 0.440 383 T N -1.334 113.232 114.554 0.021 0.000 3.019 383 T HA 0.097 4.447 4.350 -0.000 0.000 0.247 383 T C 0.254 174.970 174.700 0.027 0.000 0.992 383 T CA 0.316 62.428 62.100 0.020 0.000 1.036 383 T CB 0.637 69.515 68.868 0.016 0.000 1.063 383 T HN 0.595 nan 8.240 nan 0.000 0.476 384 T N 2.762 117.338 114.554 0.038 0.000 2.879 384 T HA 0.680 5.030 4.350 -0.000 0.000 0.290 384 T C -0.834 173.903 174.700 0.061 0.000 0.993 384 T CA -0.712 61.415 62.100 0.045 0.000 0.975 384 T CB 2.109 71.004 68.868 0.045 0.000 0.981 384 T HN 0.213 nan 8.240 nan 0.000 0.439 385 V N 0.904 120.857 119.914 0.065 0.000 3.040 385 V HA 0.880 5.000 4.120 -0.000 0.000 0.312 385 V C -0.778 175.339 176.094 0.038 0.000 1.115 385 V CA -1.249 61.099 62.300 0.081 0.000 0.998 385 V CB 2.251 34.170 31.823 0.160 0.000 1.042 385 V HN 0.979 nan 8.190 nan 0.000 0.433 386 M N 2.758 122.346 119.600 -0.019 0.000 2.457 386 M HA 0.754 5.234 4.480 -0.000 0.000 0.300 386 M C -1.062 175.186 176.300 -0.087 0.000 1.141 386 M CA -0.278 55.008 55.300 -0.022 0.000 0.901 386 M CB 2.196 34.809 32.600 0.022 0.000 1.687 386 M HN 1.013 nan 8.290 nan 0.000 0.449 387 S N 3.206 118.867 115.700 -0.065 0.000 2.594 387 S HA 0.599 5.069 4.470 -0.000 0.000 0.296 387 S C -1.462 173.049 174.600 -0.148 0.000 1.124 387 S CA -0.763 57.373 58.200 -0.106 0.000 1.011 387 S CB 1.042 64.195 63.200 -0.080 0.000 1.016 387 S HN 0.840 nan 8.310 nan 0.000 0.485 388 N N 2.149 120.703 118.700 -0.244 0.000 2.443 388 N HA 0.545 5.285 4.740 -0.000 0.000 0.295 388 N C -1.355 173.783 175.510 -0.620 0.000 1.076 388 N CA -0.406 52.328 53.050 -0.527 0.000 0.919 388 N CB 1.855 39.877 38.487 -0.774 0.000 1.176 388 N HN 0.483 nan 8.380 nan 0.000 0.487 389 S N 1.661 116.920 115.700 -0.735 0.000 2.779 389 S HA 0.491 4.961 4.470 -0.000 0.000 0.293 389 S C -1.299 173.010 174.600 -0.485 0.000 1.150 389 S CA -0.580 57.340 58.200 -0.467 0.000 1.057 389 S CB 0.227 63.290 63.200 -0.229 0.000 1.021 389 S HN 0.277 nan 8.310 nan 0.000 0.485 390 F N 1.976 121.552 119.950 -0.624 0.000 2.430 390 F HA 0.577 5.104 4.527 -0.000 0.000 0.362 390 F C 0.855 176.409 175.800 -0.410 0.000 1.103 390 F CA -1.159 56.529 58.000 -0.520 0.000 1.045 390 F CB 1.059 39.745 39.000 -0.523 0.000 1.276 390 F HN 0.610 nan 8.300 nan 0.000 0.444 391 G N 1.646 110.495 108.800 0.081 0.000 2.451 391 G HA2 0.437 4.397 3.960 -0.000 0.000 0.303 391 G HA3 0.437 4.397 3.960 -0.000 0.000 0.303 391 G C -0.478 174.603 174.900 0.300 0.000 1.166 391 G CA -0.460 44.731 45.100 0.152 0.000 0.884 391 G HN 0.183 nan 8.290 nan 0.000 0.514 392 F N 0.314 120.366 119.950 0.170 0.000 2.646 392 F HA 0.278 4.805 4.527 -0.000 0.000 0.363 392 F C 1.705 177.571 175.800 0.110 0.000 1.143 392 F CA 1.089 59.178 58.000 0.148 0.000 1.356 392 F CB 0.443 39.541 39.000 0.163 0.000 1.055 392 F HN 0.939 nan 8.300 nan 0.000 0.606 393 G N 0.988 109.946 108.800 0.263 0.000 2.141 393 G HA2 0.029 3.989 3.960 -0.000 0.000 0.242 393 G HA3 0.029 3.989 3.960 -0.000 0.000 0.242 393 G C 0.864 175.835 174.900 0.118 0.000 0.982 393 G CA 0.390 45.580 45.100 0.150 0.000 0.662 393 G HN 1.942 nan 8.290 nan 0.000 0.527 394 G N -1.163 107.716 108.800 0.131 0.000 2.273 394 G HA2 0.089 4.049 3.960 -0.000 0.000 0.280 394 G HA3 0.089 4.049 3.960 -0.000 0.000 0.280 394 G C 0.363 175.316 174.900 0.088 0.000 1.047 394 G CA 1.414 46.564 45.100 0.084 0.000 0.869 394 G HN 2.024 nan 8.290 nan 0.000 0.502 395 T N 0.195 114.834 114.554 0.142 0.000 2.771 395 T HA 0.593 4.943 4.350 -0.000 0.000 0.281 395 T C -0.138 174.701 174.700 0.232 0.000 0.982 395 T CA -0.656 61.555 62.100 0.185 0.000 0.978 395 T CB 0.456 69.457 68.868 0.221 0.000 0.930 395 T HN 0.286 nan 8.240 nan 0.000 0.447 396 N N 2.924 121.770 118.700 0.244 0.000 2.284 396 N HA 0.698 5.438 4.740 -0.000 0.000 0.300 396 N C -1.208 174.423 175.510 0.202 0.000 1.047 396 N CA -0.572 52.652 53.050 0.291 0.000 0.821 396 N CB 2.100 40.699 38.487 0.186 0.000 1.337 396 N HN 0.767 nan 8.380 nan 0.000 0.482 397 A N 0.834 123.687 122.820 0.055 0.000 2.414 397 A HA 0.811 5.131 4.320 -0.000 0.000 0.306 397 A C -0.705 176.880 177.584 0.002 0.000 1.054 397 A CA -0.478 51.514 52.037 -0.074 0.000 0.724 397 A CB 1.360 20.087 19.000 -0.456 0.000 1.267 397 A HN 0.452 nan 8.150 nan 0.000 0.418 398 T N 1.999 116.600 114.554 0.078 0.000 2.916 398 T HA 0.595 4.945 4.350 -0.000 0.000 0.298 398 T C -0.877 173.894 174.700 0.118 0.000 1.031 398 T CA -0.230 61.906 62.100 0.059 0.000 0.993 398 T CB 0.921 69.850 68.868 0.102 0.000 1.045 398 T HN 0.498 nan 8.240 nan 0.000 0.454 399 L N 2.541 123.798 121.223 0.057 0.000 2.346 399 L HA 0.803 5.143 4.340 -0.000 0.000 0.274 399 L C -0.787 176.111 176.870 0.047 0.000 1.007 399 L CA -1.147 53.734 54.840 0.069 0.000 0.818 399 L CB 2.033 44.094 42.059 0.004 0.000 1.284 399 L HN 0.326 nan 8.230 nan 0.000 0.424 400 V N 3.584 123.535 119.914 0.062 0.000 2.487 400 V HA 0.532 4.652 4.120 -0.000 0.000 0.298 400 V C -0.220 175.898 176.094 0.040 0.000 1.028 400 V CA -0.378 61.954 62.300 0.052 0.000 0.860 400 V CB 1.838 33.700 31.823 0.066 0.000 0.991 400 V HN 0.705 nan 8.190 nan 0.000 0.427 401 M N 5.106 124.725 119.600 0.032 0.000 2.393 401 M HA 0.684 5.164 4.480 -0.000 0.000 0.316 401 M C -0.579 175.739 176.300 0.030 0.000 1.087 401 M CA -0.367 54.948 55.300 0.024 0.000 0.937 401 M CB 2.544 35.154 32.600 0.016 0.000 1.668 401 M HN 0.565 nan 8.290 nan 0.000 0.438 402 R N 1.362 121.876 120.500 0.023 0.000 2.651 402 R HA 0.474 4.814 4.340 -0.000 0.000 0.278 402 R C -1.156 175.151 176.300 0.011 0.000 1.010 402 R CA -0.803 55.309 56.100 0.021 0.000 0.896 402 R CB 1.989 32.301 30.300 0.019 0.000 1.211 402 R HN 0.657 nan 8.270 nan 0.000 0.456 403 K N 2.876 123.281 120.400 0.008 0.000 2.469 403 K HA 0.065 4.385 4.320 -0.000 0.000 0.274 403 K C 0.199 176.790 176.600 -0.014 0.000 0.983 403 K CA 0.126 56.409 56.287 -0.006 0.000 0.974 403 K CB 0.484 32.980 32.500 -0.007 0.000 0.913 403 K HN 0.404 nan 8.250 nan 0.000 0.493 404 L N 0.000 121.205 121.223 -0.029 0.000 2.949 404 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 404 L CA 0.000 54.823 54.840 -0.029 0.000 0.813 404 L CB 0.000 42.033 42.059 -0.043 0.000 0.961 404 L HN 0.000 nan 8.230 nan 0.000 0.502