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 3mr8_1_V DATA FIRST_RESID 1 DATA SEQUENCE MLDKLDRLEE EYRELEALLS DPEVLKDKGR YQSLSRRYAE MGEVIGLIRE DATA SEQUENCE YRKVLEDLEQ AESLLDDPEL KEMAKAEREA LLARKEALEK ELERHLLPKD DATA SEQUENCE PMDERDAIVE IRAGTGGEEA ALFARDLFNM YLRFAEEMGF ETEVLDSHPT DATA SEQUENCE DLGGFSKVVF EVRGPGAYGT FKYESGVHRV QRVPVTETQG RIHTSTATVA DATA SEQUENCE VLPKAEEEDF ALNMDEIRID VMRASGPGGQ GVNTTDSAVR VVHLPTGIMV DATA SEQUENCE TCQDSRSQIK NREKALMILR SRLLEMKRAE EAERLRKTRL AQIGTGERSE DATA SEQUENCE KIRTYNFPQS RVTDHRIGFT THDLEGVLSG HLTPILEALK RADQERQLAA DATA SEQUENCE LAEG 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 0.000 176.275 176.300 -0.041 0.000 1.140 1 M CA 0.000 55.261 55.300 -0.066 0.000 0.988 1 M CB 0.000 32.521 32.600 -0.131 0.000 1.302 2 L N 0.792 122.001 121.223 -0.023 0.000 2.083 2 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 2 L C 1.446 178.311 176.870 -0.007 0.000 1.083 2 L CA 1.653 56.488 54.840 -0.009 0.000 0.752 2 L CB -0.288 41.769 42.059 -0.003 0.000 0.899 2 L HN 0.380 nan 8.230 nan 0.000 0.433 3 D N -0.083 120.311 120.400 -0.010 0.000 2.149 3 D HA -0.181 4.459 4.640 -0.000 0.000 0.198 3 D C 2.088 178.384 176.300 -0.006 0.000 0.990 3 D CA 1.057 55.052 54.000 -0.008 0.000 0.839 3 D CB 0.032 40.827 40.800 -0.009 0.000 0.948 3 D HN 0.228 nan 8.370 nan 0.000 0.460 4 K N 0.460 120.853 120.400 -0.012 0.000 2.217 4 K HA 0.017 4.337 4.320 -0.000 0.000 0.202 4 K C 2.340 178.941 176.600 0.002 0.000 1.051 4 K CA 0.193 56.473 56.287 -0.011 0.000 0.952 4 K CB -0.405 32.081 32.500 -0.024 0.000 0.736 4 K HN 0.294 nan 8.250 nan 0.000 0.453 5 L N 1.010 122.238 121.223 0.008 0.000 2.109 5 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 5 L C 1.613 178.514 176.870 0.052 0.000 1.086 5 L CA 1.080 55.944 54.840 0.038 0.000 0.760 5 L CB -0.492 41.588 42.059 0.036 0.000 0.910 5 L HN 0.042 nan 8.230 nan 0.000 0.437 6 D N -0.205 120.209 120.400 0.023 0.000 2.123 6 D HA -0.107 4.533 4.640 -0.000 0.000 0.200 6 D C 2.350 178.662 176.300 0.020 0.000 0.976 6 D CA 0.692 54.700 54.000 0.013 0.000 0.831 6 D CB -0.146 40.653 40.800 -0.002 0.000 0.974 6 D HN 0.003 nan 8.370 nan 0.000 0.469 7 R N 0.715 121.224 120.500 0.015 0.000 2.148 7 R HA -0.009 4.331 4.340 -0.000 0.000 0.227 7 R C 2.183 178.497 176.300 0.024 0.000 1.103 7 R CA 0.217 56.325 56.100 0.013 0.000 0.983 7 R CB -0.596 29.706 30.300 0.003 0.000 0.874 7 R HN 0.305 nan 8.270 nan 0.000 0.451 8 L N 0.410 121.657 121.223 0.039 0.000 2.341 8 L HA 0.013 4.353 4.340 -0.000 0.000 0.214 8 L C 2.060 179.031 176.870 0.168 0.000 1.115 8 L CA 1.153 56.024 54.840 0.053 0.000 0.820 8 L CB -0.188 41.892 42.059 0.035 0.000 0.944 8 L HN 0.102 nan 8.230 nan 0.000 0.452 9 E N 0.217 120.529 120.200 0.186 0.000 2.153 9 E HA -0.310 4.040 4.350 -0.000 0.000 0.194 9 E C 1.947 178.651 176.600 0.174 0.000 0.988 9 E CA 1.245 57.781 56.400 0.227 0.000 0.811 9 E CB -0.005 29.690 29.700 -0.008 0.000 0.746 9 E HN 0.667 nan 8.360 nan 0.000 0.466 10 E N 0.246 120.498 120.200 0.087 0.000 2.110 10 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 10 E C 1.705 178.334 176.600 0.048 0.000 0.988 10 E CA 0.857 57.286 56.400 0.049 0.000 0.804 10 E CB 0.146 29.858 29.700 0.020 0.000 0.745 10 E HN 0.234 nan 8.360 nan 0.000 0.458 11 E N -0.222 120.000 120.200 0.036 0.000 2.268 11 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 11 E C 1.680 178.226 176.600 -0.089 0.000 0.995 11 E CA 0.611 56.981 56.400 -0.051 0.000 0.836 11 E CB -0.211 29.428 29.700 -0.101 0.000 0.763 11 E HN 0.448 nan 8.360 nan 0.000 0.491 12 Y N 1.329 121.565 120.300 -0.106 0.000 2.049 12 Y HA -0.255 4.295 4.550 -0.000 0.000 0.277 12 Y C 2.611 178.450 175.900 -0.103 0.000 1.143 12 Y CA 1.942 59.977 58.100 -0.109 0.000 1.115 12 Y CB -0.111 38.309 38.460 -0.066 0.000 0.975 12 Y HN -0.029 nan 8.280 nan 0.000 0.487 13 R N -0.446 120.125 120.500 0.119 0.000 2.062 13 R HA -0.074 4.266 4.340 -0.000 0.000 0.226 13 R C 2.059 178.364 176.300 0.008 0.000 1.125 13 R CA 1.286 57.416 56.100 0.050 0.000 0.966 13 R CB -0.700 29.623 30.300 0.039 0.000 0.861 13 R HN 0.191 nan 8.270 nan 0.000 0.433 14 E N 0.653 120.851 120.200 -0.003 0.000 2.219 14 E HA -0.146 4.204 4.350 -0.000 0.000 0.198 14 E C 1.570 178.146 176.600 -0.041 0.000 0.998 14 E CA 0.953 57.342 56.400 -0.018 0.000 0.818 14 E CB -0.199 29.489 29.700 -0.021 0.000 0.741 14 E HN 0.253 nan 8.360 nan 0.000 0.477 15 L N 0.278 121.446 121.223 -0.092 0.000 2.007 15 L HA -0.154 4.185 4.340 -0.000 0.000 0.205 15 L C 2.185 179.028 176.870 -0.046 0.000 1.073 15 L CA 1.870 56.623 54.840 -0.145 0.000 0.744 15 L CB -0.406 41.410 42.059 -0.404 0.000 0.898 15 L HN 0.297 nan 8.230 nan 0.000 0.435 16 E N -0.459 119.724 120.200 -0.029 0.000 2.502 16 E HA -0.030 4.320 4.350 -0.000 0.000 0.194 16 E C 1.577 178.202 176.600 0.042 0.000 1.062 16 E CA 0.635 57.062 56.400 0.044 0.000 0.867 16 E CB 0.134 29.869 29.700 0.058 0.000 0.888 16 E HN 0.437 nan 8.360 nan 0.000 0.510 17 A N 1.835 124.670 122.820 0.024 0.000 1.862 17 A HA 0.127 4.447 4.320 -0.000 0.000 0.211 17 A C 1.920 179.522 177.584 0.030 0.000 1.220 17 A CA 0.238 52.290 52.037 0.025 0.000 0.616 17 A CB -0.363 18.647 19.000 0.016 0.000 0.878 17 A HN 0.236 nan 8.150 nan 0.000 0.453 18 L N 0.036 121.276 121.223 0.027 0.000 2.718 18 L HA 0.263 4.603 4.340 -0.000 0.000 0.242 18 L C 1.275 178.179 176.870 0.057 0.000 1.203 18 L CA 0.167 55.028 54.840 0.035 0.000 1.011 18 L CB -0.073 42.001 42.059 0.024 0.000 1.250 18 L HN 0.499 nan 8.230 nan 0.000 0.437 19 L N -2.904 118.360 121.223 0.068 0.000 3.195 19 L HA 0.115 4.455 4.340 -0.000 0.000 0.290 19 L C 1.928 178.849 176.870 0.087 0.000 1.092 19 L CA 0.293 55.193 54.840 0.101 0.000 1.094 19 L CB 0.569 42.708 42.059 0.133 0.000 1.743 19 L HN 0.066 nan 8.230 nan 0.000 0.579 20 S N -0.311 115.429 115.700 0.067 0.000 2.470 20 S HA -0.052 4.418 4.470 -0.000 0.000 0.225 20 S C 0.577 175.202 174.600 0.041 0.000 1.006 20 S CA 0.125 58.357 58.200 0.054 0.000 0.934 20 S CB -0.275 62.954 63.200 0.048 0.000 0.778 20 S HN 0.460 nan 8.310 nan 0.000 0.517 21 D N 2.283 122.707 120.400 0.040 0.000 2.451 21 D HA 0.107 4.747 4.640 -0.000 0.000 0.254 21 D C -1.930 174.387 176.300 0.029 0.000 1.204 21 D CA -1.580 52.439 54.000 0.031 0.000 0.896 21 D CB 1.236 42.054 40.800 0.031 0.000 1.136 21 D HN 0.153 nan 8.370 nan 0.000 0.499 22 P HA -0.057 nan 4.420 nan 0.000 0.236 22 P C 0.261 177.568 177.300 0.013 0.000 1.172 22 P CA 0.636 63.745 63.100 0.015 0.000 0.759 22 P CB 0.323 32.030 31.700 0.012 0.000 0.843 23 E N -1.454 118.756 120.200 0.017 0.000 2.372 23 E HA 0.054 4.404 4.350 -0.000 0.000 0.201 23 E C 1.709 178.321 176.600 0.019 0.000 0.938 23 E CA 0.241 56.650 56.400 0.015 0.000 0.944 23 E CB -0.725 28.984 29.700 0.015 0.000 0.937 23 E HN 0.078 nan 8.360 nan 0.000 0.495 24 V N 1.569 121.500 119.914 0.029 0.000 3.041 24 V HA -0.066 4.054 4.120 -0.000 0.000 0.260 24 V C 1.944 178.063 176.094 0.042 0.000 1.105 24 V CA 0.693 63.019 62.300 0.042 0.000 1.125 24 V CB -0.407 31.451 31.823 0.058 0.000 0.730 24 V HN 0.170 nan 8.190 nan 0.000 0.479 25 L N -0.461 120.775 121.223 0.021 0.000 2.265 25 L HA -0.136 4.204 4.340 -0.000 0.000 0.215 25 L C 2.429 179.282 176.870 -0.028 0.000 1.117 25 L CA 1.151 55.984 54.840 -0.012 0.000 0.782 25 L CB -0.518 41.529 42.059 -0.020 0.000 0.914 25 L HN 0.256 nan 8.230 nan 0.000 0.441 26 K N -0.334 120.062 120.400 -0.007 0.000 2.167 26 K HA 0.004 4.324 4.320 -0.000 0.000 0.203 26 K C 0.179 176.780 176.600 0.000 0.000 1.052 26 K CA 0.610 56.891 56.287 -0.009 0.000 0.956 26 K CB -0.090 32.409 32.500 -0.001 0.000 0.735 26 K HN 0.133 nan 8.250 nan 0.000 0.451 27 D N 1.183 121.594 120.400 0.019 0.000 2.347 27 D HA 0.045 4.685 4.640 -0.000 0.000 0.235 27 D C 0.575 176.913 176.300 0.063 0.000 1.149 27 D CA -0.059 53.963 54.000 0.037 0.000 0.850 27 D CB 1.338 42.165 40.800 0.046 0.000 1.061 27 D HN -0.134 nan 8.370 nan 0.000 0.487 28 K N 1.522 121.955 120.400 0.054 0.000 2.228 28 K HA -0.017 4.303 4.320 -0.000 0.000 0.202 28 K C 1.850 178.557 176.600 0.178 0.000 1.051 28 K CA 0.237 56.580 56.287 0.093 0.000 0.960 28 K CB -0.178 32.350 32.500 0.045 0.000 0.743 28 K HN 0.438 nan 8.250 nan 0.000 0.458 29 G N 1.514 110.380 108.800 0.111 0.000 2.414 29 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.215 29 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.215 29 G C 1.747 176.699 174.900 0.088 0.000 1.188 29 G CA 0.437 45.591 45.100 0.090 0.000 0.783 29 G HN 0.224 nan 8.290 nan 0.000 0.537 30 R N -0.237 120.315 120.500 0.086 0.000 2.237 30 R HA -0.044 4.296 4.340 -0.000 0.000 0.219 30 R C 1.983 178.338 176.300 0.091 0.000 1.080 30 R CA 0.870 57.012 56.100 0.069 0.000 0.995 30 R CB -0.863 29.474 30.300 0.061 0.000 0.875 30 R HN 0.538 nan 8.270 nan 0.000 0.462 31 Y N 0.156 120.467 120.300 0.019 0.000 2.184 31 Y HA -0.120 4.430 4.550 -0.000 0.000 0.290 31 Y C 2.086 178.002 175.900 0.027 0.000 1.129 31 Y CA 2.008 60.122 58.100 0.023 0.000 1.144 31 Y CB -0.382 38.089 38.460 0.019 0.000 0.995 31 Y HN 0.220 nan 8.280 nan 0.000 0.513 32 Q N -0.214 119.432 119.800 -0.257 0.000 2.291 32 Q HA -0.129 4.211 4.340 -0.000 0.000 0.205 32 Q C 2.030 177.899 176.000 -0.218 0.000 0.970 32 Q CA 1.508 57.103 55.803 -0.347 0.000 0.876 32 Q CB -0.084 28.610 28.738 -0.073 0.000 0.935 32 Q HN 0.527 nan 8.270 nan 0.000 0.455 33 S N 0.092 115.719 115.700 -0.123 0.000 2.387 33 S HA -0.066 4.404 4.470 -0.000 0.000 0.226 33 S C 1.536 176.087 174.600 -0.081 0.000 1.026 33 S CA 0.704 58.861 58.200 -0.073 0.000 0.972 33 S CB 0.046 63.227 63.200 -0.031 0.000 0.814 33 S HN 0.281 nan 8.310 nan 0.000 0.477 34 L N 1.618 122.780 121.223 -0.102 0.000 2.375 34 L HA 0.096 4.436 4.340 -0.000 0.000 0.215 34 L C 2.443 179.275 176.870 -0.063 0.000 1.108 34 L CA 0.818 55.618 54.840 -0.065 0.000 0.830 34 L CB -0.566 41.481 42.059 -0.020 0.000 0.959 34 L HN 0.341 nan 8.230 nan 0.000 0.457 35 S N -0.975 114.606 115.700 -0.199 0.000 2.423 35 S HA -0.117 4.353 4.470 -0.000 0.000 0.231 35 S C 2.114 176.673 174.600 -0.067 0.000 1.014 35 S CA 0.438 58.531 58.200 -0.178 0.000 0.965 35 S CB -0.229 62.699 63.200 -0.453 0.000 0.785 35 S HN 0.281 nan 8.310 nan 0.000 0.495 36 R N 1.614 122.067 120.500 -0.077 0.000 2.073 36 R HA 0.195 4.535 4.340 -0.000 0.000 0.229 36 R C 2.459 178.751 176.300 -0.013 0.000 1.120 36 R CA 0.971 57.054 56.100 -0.027 0.000 0.967 36 R CB -0.693 29.589 30.300 -0.029 0.000 0.862 36 R HN 0.504 nan 8.270 nan 0.000 0.436 37 R N -0.585 119.898 120.500 -0.029 0.000 2.152 37 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 37 R C 1.973 178.234 176.300 -0.064 0.000 1.117 37 R CA 1.047 57.115 56.100 -0.053 0.000 0.981 37 R CB -0.219 30.038 30.300 -0.071 0.000 0.870 37 R HN 0.297 nan 8.270 nan 0.000 0.451 38 Y N 0.411 120.643 120.300 -0.113 0.000 2.286 38 Y HA -0.130 4.420 4.550 -0.000 0.000 0.293 38 Y C 2.392 178.198 175.900 -0.158 0.000 1.124 38 Y CA 0.773 58.800 58.100 -0.121 0.000 1.178 38 Y CB 0.102 38.507 38.460 -0.091 0.000 1.010 38 Y HN 0.083 nan 8.280 nan 0.000 0.536 39 A N 0.193 123.045 122.820 0.053 0.000 1.972 39 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 39 A C 1.913 179.201 177.584 -0.493 0.000 1.169 39 A CA 2.003 53.969 52.037 -0.119 0.000 0.635 39 A CB -0.483 18.526 19.000 0.015 0.000 0.810 39 A HN 0.591 nan 8.150 nan 0.000 0.446 40 E N -0.995 119.020 120.200 -0.309 0.000 2.021 40 E HA -0.114 4.236 4.350 -0.000 0.000 0.189 40 E C 2.121 178.571 176.600 -0.249 0.000 0.980 40 E CA 1.094 57.306 56.400 -0.315 0.000 0.803 40 E CB -0.273 29.348 29.700 -0.131 0.000 0.766 40 E HN 0.424 nan 8.360 nan 0.000 0.449 41 M N 0.477 119.951 119.600 -0.210 0.000 2.066 41 M HA -0.087 4.393 4.480 -0.000 0.000 0.259 41 M C 2.601 178.775 176.300 -0.210 0.000 1.074 41 M CA 1.781 56.930 55.300 -0.252 0.000 1.114 41 M CB -1.716 30.658 32.600 -0.377 0.000 1.306 41 M HN 0.270 nan 8.290 nan 0.000 0.411 42 G N -0.495 108.239 108.800 -0.110 0.000 2.503 42 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.221 42 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.221 42 G C 1.454 176.335 174.900 -0.030 0.000 1.131 42 G CA 1.458 46.565 45.100 0.010 0.000 0.756 42 G HN 0.438 nan 8.290 nan 0.000 0.572 43 E N -0.388 119.763 120.200 -0.082 0.000 2.045 43 E HA 0.084 4.434 4.350 -0.000 0.000 0.190 43 E C 2.832 179.418 176.600 -0.023 0.000 0.968 43 E CA 0.390 56.762 56.400 -0.047 0.000 0.813 43 E CB -0.631 29.026 29.700 -0.071 0.000 0.780 43 E HN 0.176 nan 8.360 nan 0.000 0.455 44 V N 1.343 121.219 119.914 -0.062 0.000 2.407 44 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 44 V C 2.179 178.264 176.094 -0.015 0.000 1.055 44 V CA 1.394 63.682 62.300 -0.018 0.000 1.049 44 V CB -0.469 31.330 31.823 -0.039 0.000 0.662 44 V HN 0.254 nan 8.190 nan 0.000 0.455 45 I N 0.812 121.344 120.570 -0.064 0.000 2.286 45 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 45 I C 2.550 178.678 176.117 0.019 0.000 1.115 45 I CA 1.681 62.950 61.300 -0.052 0.000 1.392 45 I CB -0.841 37.040 38.000 -0.199 0.000 1.065 45 I HN 0.424 nan 8.210 nan 0.000 0.418 46 G N 0.874 109.685 108.800 0.017 0.000 2.422 46 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.218 46 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.218 46 G C 1.676 176.622 174.900 0.076 0.000 1.140 46 G CA 0.387 45.515 45.100 0.047 0.000 0.775 46 G HN 0.275 nan 8.290 nan 0.000 0.545 47 L N 0.741 122.019 121.223 0.091 0.000 2.095 47 L HA 0.110 4.450 4.340 -0.000 0.000 0.204 47 L C 2.834 179.862 176.870 0.263 0.000 1.080 47 L CA 0.756 55.691 54.840 0.159 0.000 0.759 47 L CB -0.502 41.656 42.059 0.164 0.000 0.914 47 L HN 0.339 nan 8.230 nan 0.000 0.439 48 I N -1.928 118.743 120.570 0.168 0.000 2.454 48 I HA -0.243 3.927 4.170 -0.000 0.000 0.254 48 I C 2.642 178.874 176.117 0.192 0.000 1.156 48 I CA 1.343 62.732 61.300 0.147 0.000 1.433 48 I CB -0.471 37.551 38.000 0.036 0.000 1.082 48 I HN 0.207 nan 8.210 nan 0.000 0.432 49 R N 1.031 121.622 120.500 0.151 0.000 2.153 49 R HA -0.081 4.259 4.340 -0.000 0.000 0.218 49 R C 2.153 178.521 176.300 0.113 0.000 1.072 49 R CA 0.843 57.015 56.100 0.121 0.000 0.990 49 R CB 0.039 30.398 30.300 0.097 0.000 0.889 49 R HN 0.418 nan 8.270 nan 0.000 0.452 50 E N -0.056 120.216 120.200 0.120 0.000 2.051 50 E HA -0.222 4.127 4.350 -0.000 0.000 0.192 50 E C 1.815 178.419 176.600 0.006 0.000 0.991 50 E CA 1.426 57.846 56.400 0.034 0.000 0.799 50 E CB -0.477 29.209 29.700 -0.024 0.000 0.748 50 E HN 0.488 nan 8.360 nan 0.000 0.449 51 Y N 1.226 121.537 120.300 0.018 0.000 2.224 51 Y HA -0.135 4.415 4.550 -0.000 0.000 0.289 51 Y C 2.689 178.598 175.900 0.015 0.000 1.146 51 Y CA 1.227 59.337 58.100 0.016 0.000 1.182 51 Y CB -0.201 38.269 38.460 0.016 0.000 0.983 51 Y HN -0.019 nan 8.280 nan 0.000 0.524 52 R N 0.558 121.166 120.500 0.180 0.000 2.097 52 R HA -0.215 4.125 4.340 -0.000 0.000 0.236 52 R C 2.166 178.505 176.300 0.066 0.000 1.135 52 R CA 2.096 58.258 56.100 0.104 0.000 0.934 52 R CB -0.351 30.000 30.300 0.084 0.000 0.846 52 R HN 0.343 nan 8.270 nan 0.000 0.431 53 K N 0.153 120.582 120.400 0.049 0.000 2.026 53 K HA -0.088 4.232 4.320 -0.000 0.000 0.208 53 K C 2.142 178.752 176.600 0.016 0.000 1.048 53 K CA 1.436 57.739 56.287 0.026 0.000 0.929 53 K CB -0.240 32.269 32.500 0.016 0.000 0.713 53 K HN 0.013 nan 8.250 nan 0.000 0.439 54 V N 2.314 122.229 119.914 0.002 0.000 2.469 54 V HA -0.244 3.876 4.120 -0.000 0.000 0.251 54 V C 2.277 178.377 176.094 0.010 0.000 1.064 54 V CA 1.496 63.786 62.300 -0.017 0.000 1.066 54 V CB -0.512 31.265 31.823 -0.076 0.000 0.667 54 V HN 0.268 nan 8.190 nan 0.000 0.461 55 L N 0.357 121.605 121.223 0.042 0.000 1.943 55 L HA -0.240 4.100 4.340 -0.000 0.000 0.215 55 L C 2.824 179.713 176.870 0.032 0.000 1.074 55 L CA 2.487 57.358 54.840 0.052 0.000 0.759 55 L CB -0.816 41.288 42.059 0.074 0.000 0.888 55 L HN 0.527 nan 8.230 nan 0.000 0.433 56 E N -0.431 119.786 120.200 0.029 0.000 2.153 56 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 56 E C 1.454 178.062 176.600 0.013 0.000 0.988 56 E CA 1.568 57.980 56.400 0.019 0.000 0.811 56 E CB -0.326 29.385 29.700 0.018 0.000 0.746 56 E HN 0.439 nan 8.360 nan 0.000 0.466 57 D N 1.032 121.438 120.400 0.011 0.000 2.178 57 D HA -0.084 4.556 4.640 -0.000 0.000 0.202 57 D C 2.094 178.396 176.300 0.004 0.000 0.974 57 D CA 0.774 54.777 54.000 0.005 0.000 0.841 57 D CB -0.119 40.681 40.800 0.000 0.000 0.953 57 D HN 0.254 nan 8.370 nan 0.000 0.478 58 L N 0.534 121.761 121.223 0.006 0.000 1.961 58 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 58 L C 2.360 179.234 176.870 0.007 0.000 1.072 58 L CA 1.353 56.196 54.840 0.006 0.000 0.749 58 L CB -0.332 41.733 42.059 0.010 0.000 0.889 58 L HN -0.085 nan 8.230 nan 0.000 0.432 59 E N -0.337 119.869 120.200 0.010 0.000 2.072 59 E HA -0.237 4.113 4.350 -0.000 0.000 0.191 59 E C 2.156 178.760 176.600 0.007 0.000 0.985 59 E CA 0.884 57.290 56.400 0.009 0.000 0.801 59 E CB -0.133 29.574 29.700 0.011 0.000 0.750 59 E HN 0.311 nan 8.360 nan 0.000 0.452 60 Q N -0.317 119.487 119.800 0.007 0.000 2.291 60 Q HA 0.051 4.391 4.340 -0.000 0.000 0.205 60 Q C 1.576 177.578 176.000 0.003 0.000 0.970 60 Q CA 1.336 57.142 55.803 0.005 0.000 0.876 60 Q CB 0.034 28.775 28.738 0.005 0.000 0.935 60 Q HN 0.322 nan 8.270 nan 0.000 0.455 61 A N -0.685 122.137 122.820 0.003 0.000 2.267 61 A HA 0.047 4.367 4.320 -0.000 0.000 0.213 61 A C 1.422 179.007 177.584 0.001 0.000 1.192 61 A CA 0.106 52.144 52.037 0.001 0.000 0.851 61 A CB 0.147 19.147 19.000 0.000 0.000 0.881 61 A HN 0.255 nan 8.150 nan 0.000 0.494 62 E N 0.038 120.239 120.200 0.002 0.000 2.004 62 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 62 E C 1.489 178.090 176.600 0.001 0.000 0.985 62 E CA 1.248 57.649 56.400 0.002 0.000 0.832 62 E CB -0.148 29.554 29.700 0.003 0.000 0.787 62 E HN 0.425 nan 8.360 nan 0.000 0.466 63 S N 0.910 116.611 115.700 0.002 0.000 2.660 63 S HA 0.034 4.504 4.470 -0.000 0.000 0.228 63 S C 0.667 175.267 174.600 0.001 0.000 0.966 63 S CA -0.059 58.142 58.200 0.001 0.000 0.940 63 S CB -0.225 62.975 63.200 0.001 0.000 0.773 63 S HN 0.166 nan 8.310 nan 0.000 0.535 64 L N 2.952 124.176 121.223 0.001 0.000 2.565 64 L HA 0.044 4.384 4.340 -0.000 0.000 0.275 64 L C 0.775 177.645 176.870 -0.000 0.000 1.137 64 L CA 0.051 54.891 54.840 0.000 0.000 0.915 64 L CB 0.260 42.320 42.059 0.001 0.000 1.232 64 L HN 0.216 nan 8.230 nan 0.000 0.473 65 L N 3.804 125.027 121.223 -0.000 0.000 4.988 65 L HA -0.362 3.978 4.340 -0.000 0.000 0.439 65 L C 0.623 177.493 176.870 -0.001 0.000 1.080 65 L CA 1.770 56.610 54.840 -0.000 0.000 1.018 65 L CB -1.167 40.892 42.059 -0.000 0.000 1.945 65 L HN 0.930 nan 8.230 nan 0.000 0.782 66 D N -1.076 119.324 120.400 -0.001 0.000 3.046 66 D HA -0.168 4.472 4.640 -0.000 0.000 0.210 66 D C 0.230 176.530 176.300 -0.001 0.000 1.124 66 D CA 1.389 55.389 54.000 -0.001 0.000 0.986 66 D CB -1.321 39.478 40.800 -0.001 0.000 1.118 66 D HN 0.663 nan 8.370 nan 0.000 0.416 67 D N 0.167 120.566 120.400 -0.001 0.000 2.424 67 D HA 0.091 4.731 4.640 -0.000 0.000 0.244 67 D C -0.790 175.509 176.300 -0.001 0.000 1.134 67 D CA -1.041 52.958 54.000 -0.001 0.000 0.881 67 D CB 0.775 41.575 40.800 -0.001 0.000 1.191 67 D HN 0.115 nan 8.370 nan 0.000 0.445 68 P HA -0.104 nan 4.420 nan 0.000 0.222 68 P C 0.944 178.243 177.300 -0.002 0.000 1.153 68 P CA 0.830 63.929 63.100 -0.002 0.000 0.798 68 P CB 0.276 31.975 31.700 -0.002 0.000 0.796 69 E N -0.261 119.938 120.200 -0.002 0.000 2.152 69 E HA -0.086 4.264 4.350 -0.000 0.000 0.192 69 E C 1.912 178.511 176.600 -0.002 0.000 0.983 69 E CA 0.611 57.010 56.400 -0.002 0.000 0.818 69 E CB -0.749 28.950 29.700 -0.002 0.000 0.758 69 E HN 0.107 nan 8.360 nan 0.000 0.467 70 L N 1.050 122.272 121.223 -0.002 0.000 2.209 70 L HA 0.040 4.380 4.340 -0.000 0.000 0.207 70 L C 2.198 179.067 176.870 -0.002 0.000 1.094 70 L CA 1.263 56.102 54.840 -0.002 0.000 0.790 70 L CB -0.503 41.556 42.059 -0.001 0.000 0.932 70 L HN 0.149 nan 8.230 nan 0.000 0.447 71 K N 0.005 120.404 120.400 -0.002 0.000 2.211 71 K HA -0.153 4.167 4.320 -0.000 0.000 0.203 71 K C 1.767 178.366 176.600 -0.002 0.000 1.050 71 K CA 0.924 57.210 56.287 -0.002 0.000 0.945 71 K CB 0.115 32.614 32.500 -0.001 0.000 0.732 71 K HN 0.381 nan 8.250 nan 0.000 0.451 72 E N 0.393 120.592 120.200 -0.003 0.000 2.208 72 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 72 E C 1.853 178.450 176.600 -0.004 0.000 0.988 72 E CA 0.791 57.189 56.400 -0.003 0.000 0.828 72 E CB 0.047 29.745 29.700 -0.003 0.000 0.763 72 E HN 0.295 nan 8.360 nan 0.000 0.478 73 M N 0.180 119.778 119.600 -0.004 0.000 2.200 73 M HA -0.038 4.442 4.480 -0.000 0.000 0.265 73 M C 2.399 178.696 176.300 -0.006 0.000 1.066 73 M CA 1.113 56.410 55.300 -0.005 0.000 1.127 73 M CB -0.021 32.577 32.600 -0.004 0.000 1.379 73 M HN 0.082 nan 8.290 nan 0.000 0.420 74 A N 0.258 123.075 122.820 -0.005 0.000 2.066 74 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 74 A C 2.148 179.728 177.584 -0.007 0.000 1.157 74 A CA 1.348 53.382 52.037 -0.005 0.000 0.670 74 A CB -0.514 18.484 19.000 -0.003 0.000 0.804 74 A HN 0.440 nan 8.150 nan 0.000 0.453 75 K N -0.137 120.260 120.400 -0.006 0.000 2.155 75 K HA 0.031 4.351 4.320 -0.000 0.000 0.203 75 K C 2.039 178.634 176.600 -0.009 0.000 1.052 75 K CA 0.948 57.231 56.287 -0.006 0.000 0.948 75 K CB -0.255 32.242 32.500 -0.005 0.000 0.728 75 K HN 0.345 nan 8.250 nan 0.000 0.448 76 A N 1.353 124.167 122.820 -0.009 0.000 1.972 76 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 76 A C 1.700 179.275 177.584 -0.016 0.000 1.169 76 A CA 1.493 53.523 52.037 -0.011 0.000 0.635 76 A CB -0.330 18.664 19.000 -0.010 0.000 0.810 76 A HN 0.445 nan 8.150 nan 0.000 0.446 77 E N -0.895 119.295 120.200 -0.017 0.000 2.208 77 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 77 E C 2.218 178.800 176.600 -0.031 0.000 0.988 77 E CA 0.796 57.181 56.400 -0.026 0.000 0.828 77 E CB -0.111 29.574 29.700 -0.024 0.000 0.763 77 E HN 0.639 nan 8.360 nan 0.000 0.478 78 R N 1.377 121.864 120.500 -0.021 0.000 2.066 78 R HA -0.173 4.167 4.340 -0.000 0.000 0.232 78 R C 1.750 178.037 176.300 -0.020 0.000 1.131 78 R CA 1.572 57.661 56.100 -0.019 0.000 0.955 78 R CB 0.098 30.392 30.300 -0.010 0.000 0.851 78 R HN -0.006 nan 8.270 nan 0.000 0.432 79 E N 0.239 120.429 120.200 -0.017 0.000 2.106 79 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 79 E C 1.818 178.405 176.600 -0.021 0.000 0.984 79 E CA 1.436 57.827 56.400 -0.015 0.000 0.806 79 E CB -0.150 29.543 29.700 -0.012 0.000 0.750 79 E HN 0.489 nan 8.360 nan 0.000 0.458 80 A N 0.485 123.289 122.820 -0.027 0.000 1.972 80 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 80 A C 2.090 179.644 177.584 -0.050 0.000 1.169 80 A CA 1.041 53.057 52.037 -0.034 0.000 0.635 80 A CB -0.428 18.551 19.000 -0.035 0.000 0.810 80 A HN 0.271 nan 8.150 nan 0.000 0.446 81 L N -0.993 120.195 121.223 -0.058 0.000 2.109 81 L HA 0.011 4.351 4.340 -0.000 0.000 0.207 81 L C 2.116 178.951 176.870 -0.058 0.000 1.086 81 L CA 1.529 56.317 54.840 -0.087 0.000 0.760 81 L CB -0.540 41.466 42.059 -0.089 0.000 0.910 81 L HN 0.315 nan 8.230 nan 0.000 0.437 82 L N 0.218 121.423 121.223 -0.031 0.000 2.012 82 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 82 L C 2.401 179.265 176.870 -0.009 0.000 1.073 82 L CA 2.276 57.108 54.840 -0.013 0.000 0.748 82 L CB -1.054 41.001 42.059 -0.007 0.000 0.891 82 L HN 0.279 nan 8.230 nan 0.000 0.431 83 A N -1.176 121.635 122.820 -0.014 0.000 2.067 83 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 83 A C 2.444 180.020 177.584 -0.013 0.000 1.156 83 A CA 1.029 53.060 52.037 -0.009 0.000 0.683 83 A CB -0.462 18.532 19.000 -0.010 0.000 0.808 83 A HN 0.477 nan 8.150 nan 0.000 0.455 84 R N 0.734 121.214 120.500 -0.033 0.000 2.060 84 R HA -0.126 4.214 4.340 -0.000 0.000 0.225 84 R C 2.326 178.605 176.300 -0.036 0.000 1.155 84 R CA 1.772 57.843 56.100 -0.050 0.000 0.930 84 R CB -0.307 29.933 30.300 -0.100 0.000 0.829 84 R HN 0.583 nan 8.270 nan 0.000 0.433 85 K N -0.100 120.265 120.400 -0.058 0.000 2.147 85 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 85 K C 1.770 178.428 176.600 0.096 0.000 1.049 85 K CA 1.304 57.615 56.287 0.041 0.000 0.936 85 K CB -0.129 32.405 32.500 0.058 0.000 0.722 85 K HN 0.116 nan 8.250 nan 0.000 0.446 86 E N 1.051 121.280 120.200 0.048 0.000 2.110 86 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 86 E C 2.076 178.702 176.600 0.042 0.000 0.988 86 E CA 1.392 57.818 56.400 0.043 0.000 0.804 86 E CB -0.108 29.607 29.700 0.025 0.000 0.745 86 E HN 0.500 nan 8.360 nan 0.000 0.458 87 A N 0.850 123.691 122.820 0.035 0.000 1.897 87 A HA -0.080 4.240 4.320 -0.000 0.000 0.215 87 A C 2.347 179.963 177.584 0.054 0.000 1.181 87 A CA 0.781 52.839 52.037 0.034 0.000 0.620 87 A CB -0.616 18.398 19.000 0.022 0.000 0.821 87 A HN 0.201 nan 8.150 nan 0.000 0.443 88 L N -0.384 120.885 121.223 0.077 0.000 2.191 88 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 88 L C 2.373 179.317 176.870 0.125 0.000 1.103 88 L CA 0.899 55.811 54.840 0.121 0.000 0.769 88 L CB -0.524 41.649 42.059 0.190 0.000 0.908 88 L HN 0.355 nan 8.230 nan 0.000 0.438 89 E N 0.609 120.876 120.200 0.112 0.000 2.204 89 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 89 E C 1.957 178.587 176.600 0.050 0.000 0.989 89 E CA 1.034 57.479 56.400 0.075 0.000 0.824 89 E CB 0.080 29.817 29.700 0.062 0.000 0.756 89 E HN 0.516 nan 8.360 nan 0.000 0.477 90 K N 0.321 120.749 120.400 0.048 0.000 2.323 90 K HA 0.010 4.330 4.320 -0.000 0.000 0.197 90 K C 1.656 178.274 176.600 0.030 0.000 1.043 90 K CA 0.265 56.572 56.287 0.034 0.000 0.997 90 K CB 0.342 32.859 32.500 0.028 0.000 0.807 90 K HN -0.031 nan 8.250 nan 0.000 0.497 91 E N 0.977 121.205 120.200 0.047 0.000 2.274 91 E HA -0.136 4.213 4.350 -0.000 0.000 0.194 91 E C 1.873 178.523 176.600 0.084 0.000 0.996 91 E CA 0.557 56.990 56.400 0.055 0.000 0.840 91 E CB -0.033 29.713 29.700 0.077 0.000 0.772 91 E HN 0.175 nan 8.360 nan 0.000 0.491 92 L N 1.364 122.633 121.223 0.075 0.000 2.007 92 L HA -0.101 4.239 4.340 -0.000 0.000 0.205 92 L C 2.237 179.143 176.870 0.061 0.000 1.073 92 L CA 1.654 56.536 54.840 0.071 0.000 0.744 92 L CB -0.166 41.918 42.059 0.041 0.000 0.898 92 L HN -0.102 nan 8.230 nan 0.000 0.435 93 E N -0.570 119.653 120.200 0.039 0.000 2.472 93 E HA -0.200 4.150 4.350 -0.000 0.000 0.200 93 E C 2.121 178.731 176.600 0.017 0.000 1.046 93 E CA 0.499 56.918 56.400 0.031 0.000 0.871 93 E CB -0.109 29.608 29.700 0.027 0.000 0.806 93 E HN 0.363 nan 8.360 nan 0.000 0.533 94 R N -0.494 120.006 120.500 -0.000 0.000 2.082 94 R HA -0.147 4.193 4.340 -0.000 0.000 0.228 94 R C 1.759 177.984 176.300 -0.125 0.000 1.140 94 R CA 1.828 57.874 56.100 -0.090 0.000 0.920 94 R CB -0.398 29.805 30.300 -0.161 0.000 0.828 94 R HN 0.388 nan 8.270 nan 0.000 0.430 95 H N 0.499 119.576 119.070 0.012 0.000 2.546 95 H HA -0.064 4.492 4.556 -0.000 0.000 0.277 95 H C 1.748 177.079 175.328 0.005 0.000 1.004 95 H CA 0.681 56.734 56.048 0.008 0.000 1.231 95 H CB 0.209 29.974 29.762 0.006 0.000 1.382 95 H HN 0.262 nan 8.280 nan 0.000 0.580 96 L N 0.786 122.066 121.223 0.096 0.000 2.418 96 L HA 0.039 4.379 4.340 -0.000 0.000 0.218 96 L C 0.678 177.570 176.870 0.036 0.000 1.125 96 L CA 0.855 55.730 54.840 0.058 0.000 0.835 96 L CB -0.098 41.988 42.059 0.045 0.000 0.953 96 L HN 0.177 nan 8.230 nan 0.000 0.454 97 L N 2.798 124.035 121.223 0.022 0.000 3.047 97 L HA 0.285 4.624 4.340 -0.000 0.000 0.242 97 L C -2.164 174.709 176.870 0.006 0.000 1.315 97 L CA -1.161 53.687 54.840 0.013 0.000 1.042 97 L CB 0.397 42.461 42.059 0.008 0.000 1.420 97 L HN 0.062 nan 8.230 nan 0.000 0.517 98 P HA 0.193 nan 4.420 nan 0.000 0.287 98 P C -0.194 177.114 177.300 0.013 0.000 1.294 98 P CA -0.115 62.992 63.100 0.013 0.000 0.776 98 P CB 1.216 32.934 31.700 0.030 0.000 0.889 99 K N -0.256 120.150 120.400 0.009 0.000 3.407 99 K HA -0.137 4.183 4.320 -0.000 0.000 0.312 99 K C -0.388 176.219 176.600 0.011 0.000 1.302 99 K CA 0.954 57.247 56.287 0.010 0.000 0.931 99 K CB -1.616 30.891 32.500 0.010 0.000 1.257 99 K HN 0.509 nan 8.250 nan 0.000 0.454 100 D N 1.924 122.332 120.400 0.013 0.000 2.264 100 D HA 0.160 4.800 4.640 -0.000 0.000 0.250 100 D C -2.083 174.228 176.300 0.018 0.000 1.113 100 D CA -1.547 52.462 54.000 0.016 0.000 0.871 100 D CB 0.751 41.562 40.800 0.018 0.000 1.167 100 D HN -0.007 nan 8.370 nan 0.000 0.447 101 P HA 0.218 nan 4.420 nan 0.000 0.274 101 P C -0.765 176.558 177.300 0.038 0.000 1.470 101 P CA -0.420 62.695 63.100 0.026 0.000 1.001 101 P CB 0.316 32.031 31.700 0.024 0.000 1.332 102 M N 2.379 122.002 119.600 0.039 0.000 2.288 102 M HA 0.313 4.793 4.480 -0.000 0.000 0.334 102 M C 0.169 176.512 176.300 0.072 0.000 1.150 102 M CA 0.373 55.704 55.300 0.052 0.000 1.118 102 M CB 0.690 33.316 32.600 0.043 0.000 1.501 102 M HN 0.118 nan 8.290 nan 0.000 0.462 103 D N 1.069 121.535 120.400 0.109 0.000 2.593 103 D HA 0.202 4.842 4.640 -0.000 0.000 0.251 103 D C 0.037 176.432 176.300 0.158 0.000 1.140 103 D CA -0.270 53.816 54.000 0.144 0.000 0.855 103 D CB 1.126 42.059 40.800 0.222 0.000 1.267 103 D HN 0.721 nan 8.370 nan 0.000 0.532 104 E N 0.707 120.982 120.200 0.125 0.000 2.476 104 E HA 0.115 4.465 4.350 -0.000 0.000 0.196 104 E C -0.126 176.564 176.600 0.150 0.000 1.029 104 E CA -0.395 56.088 56.400 0.138 0.000 0.896 104 E CB 0.437 30.202 29.700 0.109 0.000 1.012 104 E HN 0.177 nan 8.360 nan 0.000 0.475 105 R N 2.012 122.590 120.500 0.130 0.000 2.570 105 R HA 0.083 4.423 4.340 -0.000 0.000 0.277 105 R C -0.545 175.835 176.300 0.133 0.000 1.039 105 R CA -0.371 55.788 56.100 0.098 0.000 1.065 105 R CB 0.156 30.477 30.300 0.035 0.000 0.964 105 R HN 0.116 nan 8.270 nan 0.000 0.428 106 D N 1.064 121.540 120.400 0.126 0.000 2.488 106 D HA 0.190 4.830 4.640 -0.000 0.000 0.238 106 D C 0.014 176.375 176.300 0.102 0.000 1.138 106 D CA 0.555 54.645 54.000 0.151 0.000 0.873 106 D CB 0.869 41.752 40.800 0.138 0.000 1.183 106 D HN 0.592 nan 8.370 nan 0.000 0.458 107 A N 2.088 124.988 122.820 0.134 0.000 2.414 107 A HA 0.829 5.149 4.320 -0.000 0.000 0.278 107 A C -0.551 177.062 177.584 0.048 0.000 1.228 107 A CA -0.695 51.380 52.037 0.064 0.000 0.857 107 A CB 1.128 20.219 19.000 0.153 0.000 1.389 107 A HN 0.518 nan 8.150 nan 0.000 0.452 108 I N -0.228 120.338 120.570 -0.006 0.000 2.689 108 I HA 0.521 4.691 4.170 -0.000 0.000 0.299 108 I C -1.251 174.826 176.117 -0.067 0.000 1.059 108 I CA -0.991 60.306 61.300 -0.005 0.000 1.055 108 I CB 2.264 40.259 38.000 -0.009 0.000 1.243 108 I HN 0.244 nan 8.210 nan 0.000 0.425 109 V N 3.940 123.814 119.914 -0.068 0.000 2.409 109 V HA 0.265 4.385 4.120 -0.000 0.000 0.290 109 V C -0.466 175.596 176.094 -0.052 0.000 1.017 109 V CA -0.680 61.492 62.300 -0.215 0.000 0.841 109 V CB 1.400 32.810 31.823 -0.688 0.000 1.003 109 V HN 0.689 nan 8.190 nan 0.000 0.426 110 E N 4.908 125.074 120.200 -0.057 0.000 1.963 110 E HA 0.397 4.747 4.350 -0.000 0.000 0.274 110 E C -0.885 175.708 176.600 -0.012 0.000 1.061 110 E CA -0.479 55.918 56.400 -0.006 0.000 0.847 110 E CB 0.994 30.687 29.700 -0.011 0.000 1.083 110 E HN 0.524 nan 8.360 nan 0.000 0.402 111 I N 3.406 123.996 120.570 0.032 0.000 2.371 111 I HA 0.207 4.377 4.170 -0.000 0.000 0.290 111 I C 0.322 176.484 176.117 0.075 0.000 1.028 111 I CA 0.104 61.436 61.300 0.054 0.000 1.345 111 I CB 0.552 38.626 38.000 0.123 0.000 1.407 111 I HN 0.276 nan 8.210 nan 0.000 0.501 112 R N 3.967 124.512 120.500 0.074 0.000 2.808 112 R HA 0.858 5.198 4.340 -0.000 0.000 0.272 112 R C -0.574 175.782 176.300 0.094 0.000 0.995 112 R CA -1.088 55.057 56.100 0.076 0.000 0.917 112 R CB 1.525 31.853 30.300 0.046 0.000 1.217 112 R HN 0.660 nan 8.270 nan 0.000 0.471 113 A N 0.556 123.430 122.820 0.090 0.000 2.325 113 A HA 0.669 4.989 4.320 -0.000 0.000 0.260 113 A C 0.390 178.018 177.584 0.074 0.000 1.133 113 A CA 0.629 52.723 52.037 0.094 0.000 0.801 113 A CB -0.008 19.037 19.000 0.075 0.000 1.092 113 A HN 0.788 nan 8.150 nan 0.000 0.504 114 G N -1.912 106.929 108.800 0.068 0.000 3.039 114 G HA2 0.514 4.474 3.960 -0.000 0.000 0.202 114 G HA3 0.514 4.474 3.960 -0.000 0.000 0.202 114 G C 0.039 174.953 174.900 0.022 0.000 1.151 114 G CA 0.432 45.557 45.100 0.041 0.000 0.836 114 G HN 0.857 nan 8.290 nan 0.000 0.598 115 T N -0.249 114.310 114.554 0.008 0.000 2.652 115 T HA 0.366 4.716 4.350 -0.000 0.000 0.345 115 T C 1.795 176.492 174.700 -0.006 0.000 1.051 115 T CA 1.706 63.805 62.100 -0.002 0.000 1.021 115 T CB -0.115 68.748 68.868 -0.009 0.000 1.141 115 T HN 2.133 nan 8.240 nan 0.000 0.518 116 G N -0.666 108.124 108.800 -0.017 0.000 2.257 116 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.267 116 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.267 116 G C 1.091 175.971 174.900 -0.034 0.000 0.984 116 G CA 0.792 45.872 45.100 -0.034 0.000 0.626 116 G HN 1.829 nan 8.290 nan 0.000 0.540 117 G N 0.040 108.832 108.800 -0.012 0.000 2.596 117 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.304 117 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.304 117 G C 0.945 175.846 174.900 0.002 0.000 1.189 117 G CA 1.245 46.341 45.100 -0.006 0.000 0.986 117 G HN 0.920 nan 8.290 nan 0.000 0.548 118 E N 0.513 120.708 120.200 -0.008 0.000 2.114 118 E HA -0.231 4.118 4.350 -0.000 0.000 0.199 118 E C 2.328 178.936 176.600 0.013 0.000 1.008 118 E CA 2.153 58.553 56.400 -0.000 0.000 0.810 118 E CB -0.323 29.370 29.700 -0.011 0.000 0.739 118 E HN 0.625 nan 8.360 nan 0.000 0.456 119 E N 0.928 121.131 120.200 0.005 0.000 2.023 119 E HA -0.157 4.193 4.350 -0.000 0.000 0.196 119 E C 1.865 178.512 176.600 0.078 0.000 1.003 119 E CA 1.924 58.343 56.400 0.031 0.000 0.809 119 E CB -0.514 29.186 29.700 0.001 0.000 0.755 119 E HN 0.168 nan 8.360 nan 0.000 0.449 120 A N 0.537 123.396 122.820 0.065 0.000 2.070 120 A HA 0.048 4.368 4.320 -0.000 0.000 0.220 120 A C 2.367 180.038 177.584 0.145 0.000 1.159 120 A CA 1.811 53.923 52.037 0.125 0.000 0.656 120 A CB -0.875 18.172 19.000 0.079 0.000 0.800 120 A HN 0.436 nan 8.150 nan 0.000 0.453 121 A N -0.186 122.686 122.820 0.086 0.000 1.930 121 A HA 0.010 4.330 4.320 -0.000 0.000 0.217 121 A C 2.109 179.716 177.584 0.039 0.000 1.175 121 A CA 1.407 53.481 52.037 0.062 0.000 0.627 121 A CB -0.434 18.585 19.000 0.032 0.000 0.815 121 A HN 0.481 nan 8.150 nan 0.000 0.443 122 L N -2.415 118.842 121.223 0.057 0.000 2.095 122 L HA -0.037 4.303 4.340 -0.000 0.000 0.204 122 L C 2.401 179.330 176.870 0.098 0.000 1.080 122 L CA 1.089 55.954 54.840 0.042 0.000 0.759 122 L CB -0.553 41.542 42.059 0.060 0.000 0.914 122 L HN 0.446 nan 8.230 nan 0.000 0.439 123 F N 1.261 121.223 119.950 0.019 0.000 2.250 123 F HA -0.239 4.288 4.527 -0.000 0.000 0.301 123 F C 2.279 178.091 175.800 0.019 0.000 1.077 123 F CA 0.921 58.931 58.000 0.016 0.000 1.348 123 F CB -0.173 38.824 39.000 -0.004 0.000 1.040 123 F HN 0.009 nan 8.300 nan 0.000 0.509 124 A N 1.447 124.286 122.820 0.031 0.000 1.855 124 A HA -0.186 4.133 4.320 -0.000 0.000 0.215 124 A C 2.295 179.899 177.584 0.033 0.000 1.191 124 A CA 1.634 53.680 52.037 0.015 0.000 0.613 124 A CB -0.824 18.242 19.000 0.111 0.000 0.829 124 A HN 0.546 nan 8.150 nan 0.000 0.442 125 R N -0.262 120.236 120.500 -0.004 0.000 2.193 125 R HA -0.141 4.199 4.340 -0.000 0.000 0.229 125 R C 0.888 177.259 176.300 0.120 0.000 1.110 125 R CA 1.784 57.903 56.100 0.033 0.000 0.988 125 R CB -0.653 29.509 30.300 -0.229 0.000 0.871 125 R HN 0.343 nan 8.270 nan 0.000 0.458 126 D N 1.470 121.852 120.400 -0.029 0.000 2.117 126 D HA -0.091 4.549 4.640 -0.000 0.000 0.198 126 D C 2.104 178.329 176.300 -0.126 0.000 0.982 126 D CA 1.185 55.134 54.000 -0.084 0.000 0.828 126 D CB -0.198 40.502 40.800 -0.165 0.000 0.967 126 D HN 0.278 nan 8.370 nan 0.000 0.464 127 L N -0.227 120.870 121.223 -0.210 0.000 2.131 127 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 127 L C 2.384 179.401 176.870 0.246 0.000 1.092 127 L CA 0.605 55.389 54.840 -0.093 0.000 0.759 127 L CB -0.487 41.574 42.059 0.003 0.000 0.903 127 L HN -0.036 nan 8.230 nan 0.000 0.435 128 F N 1.453 121.497 119.950 0.157 0.000 2.046 128 F HA -0.296 4.231 4.527 -0.000 0.000 0.297 128 F C 2.570 178.540 175.800 0.284 0.000 1.123 128 F CA 1.669 59.864 58.000 0.325 0.000 1.199 128 F CB -0.101 39.117 39.000 0.363 0.000 0.972 128 F HN 0.139 nan 8.300 nan 0.000 0.474 129 N N 0.586 119.360 118.700 0.124 0.000 2.149 129 N HA -0.251 4.489 4.740 -0.000 0.000 0.188 129 N C 1.876 177.372 175.510 -0.023 0.000 1.019 129 N CA 1.657 54.698 53.050 -0.015 0.000 0.857 129 N CB -0.563 37.943 38.487 0.031 0.000 0.997 129 N HN 0.466 nan 8.380 nan 0.000 0.426 130 M N 0.131 119.694 119.600 -0.061 0.000 2.126 130 M HA -0.238 4.242 4.480 -0.000 0.000 0.259 130 M C 1.611 177.833 176.300 -0.130 0.000 1.073 130 M CA 1.771 56.960 55.300 -0.186 0.000 1.103 130 M CB -0.302 32.037 32.600 -0.436 0.000 1.284 130 M HN 0.017 nan 8.290 nan 0.000 0.420 131 Y N 0.531 120.853 120.300 0.035 0.000 2.293 131 Y HA -0.150 4.400 4.550 -0.000 0.000 0.291 131 Y C 2.213 178.257 175.900 0.240 0.000 1.137 131 Y CA 1.143 59.323 58.100 0.133 0.000 1.202 131 Y CB -0.693 37.694 38.460 -0.121 0.000 0.990 131 Y HN 0.279 nan 8.280 nan 0.000 0.537 132 L N -0.288 121.089 121.223 0.257 0.000 1.976 132 L HA -0.278 4.062 4.340 -0.000 0.000 0.209 132 L C 2.584 179.548 176.870 0.156 0.000 1.071 132 L CA 1.660 56.614 54.840 0.191 0.000 0.746 132 L CB -0.415 41.550 42.059 -0.157 0.000 0.890 132 L HN 0.178 nan 8.230 nan 0.000 0.432 133 R N -0.823 119.726 120.500 0.081 0.000 2.080 133 R HA -0.238 4.102 4.340 -0.000 0.000 0.236 133 R C 2.242 178.588 176.300 0.077 0.000 1.137 133 R CA 1.945 58.074 56.100 0.048 0.000 0.943 133 R CB -0.752 29.547 30.300 -0.002 0.000 0.846 133 R HN 0.216 nan 8.270 nan 0.000 0.431 134 F N 1.742 121.673 119.950 -0.031 0.000 2.184 134 F HA -0.304 4.223 4.527 -0.000 0.000 0.301 134 F C 2.047 177.875 175.800 0.047 0.000 1.076 134 F CA 1.267 59.243 58.000 -0.040 0.000 1.295 134 F CB -0.256 38.713 39.000 -0.051 0.000 1.026 134 F HN 0.054 nan 8.300 nan 0.000 0.494 135 A N 1.059 124.012 122.820 0.222 0.000 1.821 135 A HA -0.243 4.077 4.320 -0.000 0.000 0.215 135 A C 1.952 179.605 177.584 0.114 0.000 1.216 135 A CA 1.901 54.074 52.037 0.226 0.000 0.615 135 A CB -1.192 18.060 19.000 0.419 0.000 0.862 135 A HN 0.541 nan 8.150 nan 0.000 0.450 136 E N 0.291 120.555 120.200 0.106 0.000 2.268 136 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 136 E C 1.464 178.051 176.600 -0.022 0.000 0.995 136 E CA 1.252 57.684 56.400 0.053 0.000 0.836 136 E CB -0.412 29.317 29.700 0.049 0.000 0.763 136 E HN 0.612 nan 8.360 nan 0.000 0.491 137 E N -0.008 120.155 120.200 -0.063 0.000 2.204 137 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 137 E C 1.658 178.163 176.600 -0.158 0.000 0.990 137 E CA 1.069 57.406 56.400 -0.104 0.000 0.821 137 E CB -0.168 29.450 29.700 -0.136 0.000 0.750 137 E HN 0.339 nan 8.360 nan 0.000 0.477 138 M N -1.037 118.420 119.600 -0.238 0.000 2.541 138 M HA 0.111 4.591 4.480 -0.000 0.000 0.252 138 M C 1.207 177.450 176.300 -0.094 0.000 1.125 138 M CA 1.218 56.384 55.300 -0.223 0.000 1.091 138 M CB 0.549 32.887 32.600 -0.437 0.000 1.420 138 M HN 0.173 nan 8.290 nan 0.000 0.486 139 G N -1.163 107.591 108.800 -0.077 0.000 2.352 139 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.204 139 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.204 139 G C 0.047 174.856 174.900 -0.151 0.000 1.004 139 G CA -0.268 44.735 45.100 -0.160 0.000 0.648 139 G HN 0.339 nan 8.290 nan 0.000 0.491 140 F N 2.517 122.443 119.950 -0.040 0.000 2.538 140 F HA 0.517 5.044 4.527 -0.000 0.000 0.371 140 F C 0.906 176.744 175.800 0.063 0.000 1.087 140 F CA -0.035 57.983 58.000 0.031 0.000 1.250 140 F CB 0.823 39.869 39.000 0.077 0.000 1.110 140 F HN 0.161 nan 8.300 nan 0.000 0.570 141 E N 2.669 122.997 120.200 0.212 0.000 2.324 141 E HA 0.112 4.462 4.350 -0.000 0.000 0.271 141 E C 0.084 176.802 176.600 0.197 0.000 1.028 141 E CA -0.379 56.113 56.400 0.153 0.000 0.890 141 E CB 0.445 30.203 29.700 0.095 0.000 1.004 141 E HN 0.635 nan 8.360 nan 0.000 0.431 142 T N 1.886 116.537 114.554 0.161 0.000 2.754 142 T HA 0.558 4.908 4.350 -0.000 0.000 0.286 142 T C -0.123 174.616 174.700 0.065 0.000 0.997 142 T CA -0.610 61.587 62.100 0.163 0.000 0.982 142 T CB 0.967 69.906 68.868 0.118 0.000 1.027 142 T HN 0.492 nan 8.240 nan 0.000 0.529 143 E N -0.953 119.228 120.200 -0.032 0.000 2.584 143 E HA 0.416 4.766 4.350 -0.000 0.000 0.295 143 E C -2.125 174.295 176.600 -0.300 0.000 1.109 143 E CA -0.689 55.645 56.400 -0.111 0.000 0.900 143 E CB 1.280 30.960 29.700 -0.032 0.000 1.195 143 E HN 0.789 nan 8.360 nan 0.000 0.433 144 V N 6.028 125.790 119.914 -0.253 0.000 2.555 144 V HA 0.522 4.642 4.120 -0.000 0.000 0.302 144 V C -0.112 175.861 176.094 -0.202 0.000 1.038 144 V CA -0.372 61.743 62.300 -0.307 0.000 0.887 144 V CB 1.391 33.077 31.823 -0.228 0.000 0.991 144 V HN 0.869 nan 8.190 nan 0.000 0.434 145 L N 3.885 124.991 121.223 -0.194 0.000 2.425 145 L HA 0.523 4.863 4.340 -0.000 0.000 0.215 145 L C 0.158 176.927 176.870 -0.169 0.000 1.065 145 L CA 0.447 55.202 54.840 -0.140 0.000 0.842 145 L CB 0.450 42.453 42.059 -0.094 0.000 1.033 145 L HN 0.777 nan 8.230 nan 0.000 0.474 146 D N -0.897 119.364 120.400 -0.232 0.000 2.663 146 D HA 0.386 5.026 4.640 -0.000 0.000 0.233 146 D C -1.308 174.728 176.300 -0.439 0.000 1.240 146 D CA -0.260 53.562 54.000 -0.297 0.000 0.774 146 D CB 1.852 42.519 40.800 -0.220 0.000 1.443 146 D HN -0.060 nan 8.370 nan 0.000 0.441 147 S N 1.699 117.053 115.700 -0.577 0.000 2.543 147 S HA 0.494 4.964 4.470 -0.000 0.000 0.271 147 S C -1.555 172.667 174.600 -0.632 0.000 1.148 147 S CA -0.907 56.866 58.200 -0.711 0.000 0.914 147 S CB 1.400 63.985 63.200 -1.025 0.000 1.096 147 S HN 0.464 nan 8.310 nan 0.000 0.471 148 H N 2.766 121.752 119.070 -0.140 0.000 2.645 148 H HA 0.443 4.999 4.556 -0.000 0.000 0.257 148 H C -2.785 172.625 175.328 0.138 0.000 1.269 148 H CA -1.398 54.650 56.048 0.000 0.000 1.409 148 H CB 1.387 31.147 29.762 -0.004 0.000 1.434 148 H HN 0.501 nan 8.280 nan 0.000 0.505 149 P HA 0.043 nan 4.420 nan 0.000 0.286 149 P C 0.557 177.946 177.300 0.148 0.000 1.269 149 P CA -0.303 62.990 63.100 0.322 0.000 0.787 149 P CB 1.500 33.400 31.700 0.332 0.000 0.920 150 T N 0.983 115.587 114.554 0.083 0.000 2.899 150 T HA 0.039 4.389 4.350 -0.000 0.000 0.295 150 T C 1.605 176.318 174.700 0.022 0.000 1.033 150 T CA -0.226 61.899 62.100 0.042 0.000 1.084 150 T CB 0.021 68.901 68.868 0.020 0.000 0.979 150 T HN 0.508 nan 8.240 nan 0.000 0.532 151 D N 2.849 123.261 120.400 0.020 0.000 2.133 151 D HA -0.210 4.430 4.640 -0.000 0.000 0.192 151 D C 1.299 177.599 176.300 0.001 0.000 1.001 151 D CA 1.270 55.279 54.000 0.015 0.000 0.844 151 D CB -0.430 40.377 40.800 0.012 0.000 0.944 151 D HN 0.536 nan 8.370 nan 0.000 0.447 152 L N -0.395 120.823 121.223 -0.008 0.000 2.821 152 L HA 0.549 4.889 4.340 -0.000 0.000 0.239 152 L C 1.058 177.900 176.870 -0.046 0.000 1.391 152 L CA -0.260 54.568 54.840 -0.019 0.000 1.231 152 L CB -0.463 41.589 42.059 -0.012 0.000 1.598 152 L HN 0.294 nan 8.230 nan 0.000 0.428 153 G N -0.678 108.083 108.800 -0.065 0.000 2.806 153 G HA2 0.301 4.261 3.960 -0.000 0.000 0.236 153 G HA3 0.301 4.261 3.960 -0.000 0.000 0.236 153 G C 0.286 175.045 174.900 -0.235 0.000 1.387 153 G CA 0.031 45.043 45.100 -0.148 0.000 0.884 153 G HN 1.960 nan 8.290 nan 0.000 0.560 154 G N -2.257 106.263 108.800 -0.467 0.000 2.825 154 G HA2 0.272 4.232 3.960 -0.000 0.000 0.686 154 G HA3 0.272 4.232 3.960 -0.000 0.000 0.686 154 G C -0.215 174.391 174.900 -0.490 0.000 1.362 154 G CA 0.322 45.117 45.100 -0.508 0.000 0.975 154 G HN 1.631 nan 8.290 nan 0.000 0.594 155 F N 0.912 120.838 119.950 -0.039 0.000 2.483 155 F HA 0.686 5.213 4.527 -0.000 0.000 0.329 155 F C 1.517 177.316 175.800 -0.001 0.000 1.064 155 F CA -0.234 57.737 58.000 -0.048 0.000 0.986 155 F CB 2.145 41.062 39.000 -0.139 0.000 1.218 155 F HN 0.526 nan 8.300 nan 0.000 0.484 156 S N 0.119 115.962 115.700 0.238 0.000 2.458 156 S HA 0.124 4.594 4.470 -0.000 0.000 0.223 156 S C 0.126 174.810 174.600 0.139 0.000 1.019 156 S CA 0.502 58.791 58.200 0.148 0.000 0.937 156 S CB -0.005 63.260 63.200 0.109 0.000 0.788 156 S HN 0.596 nan 8.310 nan 0.000 0.511 157 K N 0.093 120.588 120.400 0.159 0.000 2.587 157 K HA 0.505 4.825 4.320 -0.000 0.000 0.276 157 K C -2.136 174.450 176.600 -0.023 0.000 0.956 157 K CA -0.638 55.706 56.287 0.094 0.000 0.857 157 K CB 2.096 34.663 32.500 0.111 0.000 1.431 157 K HN 0.065 nan 8.250 nan 0.000 0.420 158 V N -0.185 119.703 119.914 -0.042 0.000 2.950 158 V HA 0.528 4.648 4.120 -0.000 0.000 0.295 158 V C -0.510 175.594 176.094 0.016 0.000 1.297 158 V CA -1.103 61.103 62.300 -0.157 0.000 0.962 158 V CB 0.937 32.570 31.823 -0.316 0.000 1.081 158 V HN 0.522 nan 8.190 nan 0.000 0.432 159 V N 0.215 120.109 119.914 -0.032 0.000 3.093 159 V HA 0.859 4.979 4.120 -0.000 0.000 0.320 159 V C -0.854 175.295 176.094 0.092 0.000 1.093 159 V CA -0.748 61.590 62.300 0.063 0.000 1.016 159 V CB 1.954 33.768 31.823 -0.015 0.000 1.096 159 V HN 0.753 nan 8.190 nan 0.000 0.452 160 F N 0.169 120.081 119.950 -0.063 0.000 2.557 160 F HA 0.453 4.980 4.527 -0.000 0.000 0.316 160 F C 0.001 175.773 175.800 -0.047 0.000 1.141 160 F CA -0.473 57.496 58.000 -0.051 0.000 0.922 160 F CB 2.033 40.954 39.000 -0.131 0.000 1.194 160 F HN 0.737 nan 8.300 nan 0.000 0.443 161 E N 4.123 124.362 120.200 0.064 0.000 2.028 161 E HA 0.359 4.709 4.350 -0.000 0.000 0.266 161 E C -1.269 175.419 176.600 0.146 0.000 0.962 161 E CA -0.328 56.119 56.400 0.077 0.000 0.784 161 E CB 0.918 30.633 29.700 0.025 0.000 1.114 161 E HN 0.428 nan 8.360 nan 0.000 0.414 162 V N 5.685 125.714 119.914 0.191 0.000 2.223 162 V HA 0.139 4.259 4.120 -0.000 0.000 0.249 162 V C 0.531 176.781 176.094 0.259 0.000 1.233 162 V CA -0.342 62.121 62.300 0.271 0.000 1.131 162 V CB -0.339 31.671 31.823 0.313 0.000 1.298 162 V HN 0.525 nan 8.190 nan 0.000 0.498 163 R N 3.247 123.880 120.500 0.223 0.000 2.421 163 R HA 0.513 4.853 4.340 -0.000 0.000 0.305 163 R C 0.435 176.892 176.300 0.261 0.000 1.039 163 R CA 1.091 57.304 56.100 0.189 0.000 1.003 163 R CB 0.249 30.623 30.300 0.123 0.000 0.959 163 R HN 0.943 nan 8.270 nan 0.000 0.427 164 G N 5.661 114.612 108.800 0.252 0.000 2.542 164 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.391 164 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.391 164 G C -3.037 172.081 174.900 0.363 0.000 1.551 164 G CA -1.074 44.180 45.100 0.258 0.000 0.946 164 G HN 0.480 nan 8.290 nan 0.000 0.662 165 P HA 0.375 nan 4.420 nan 0.000 0.268 165 P C 1.212 178.732 177.300 0.366 0.000 1.205 165 P CA 1.750 64.977 63.100 0.212 0.000 0.771 165 P CB 1.103 32.864 31.700 0.100 0.000 0.858 166 G N 1.796 110.779 108.800 0.306 0.000 2.159 166 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.256 166 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.256 166 G C 1.093 176.135 174.900 0.237 0.000 0.977 166 G CA 0.562 45.843 45.100 0.302 0.000 0.652 166 G HN 0.705 nan 8.290 nan 0.000 0.531 167 A N -0.222 122.745 122.820 0.246 0.000 1.851 167 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 167 A C 1.967 179.613 177.584 0.103 0.000 1.195 167 A CA 2.340 54.376 52.037 -0.002 0.000 0.622 167 A CB -0.618 18.512 19.000 0.217 0.000 0.831 167 A HN 1.231 nan 8.150 nan 0.000 0.444 168 Y N 1.055 121.393 120.300 0.064 0.000 2.421 168 Y HA 0.046 4.596 4.550 -0.000 0.000 0.292 168 Y C 2.309 178.212 175.900 0.006 0.000 1.136 168 Y CA 0.673 58.803 58.100 0.050 0.000 1.255 168 Y CB -0.663 37.813 38.460 0.027 0.000 0.991 168 Y HN 0.231 nan 8.280 nan 0.000 0.552 169 G N -1.571 107.239 108.800 0.017 0.000 2.625 169 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.214 169 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.214 169 G C 1.371 176.243 174.900 -0.045 0.000 1.132 169 G CA 1.427 46.506 45.100 -0.034 0.000 0.782 169 G HN 0.518 nan 8.290 nan 0.000 0.538 170 T N -4.380 110.107 114.554 -0.111 0.000 3.115 170 T HA 0.218 4.568 4.350 -0.000 0.000 0.256 170 T C 1.848 176.475 174.700 -0.122 0.000 0.970 170 T CA -0.281 61.754 62.100 -0.108 0.000 1.010 170 T CB -0.312 68.394 68.868 -0.270 0.000 1.151 170 T HN 0.064 nan 8.240 nan 0.000 0.479 171 F N 2.949 122.831 119.950 -0.113 0.000 2.558 171 F HA 0.232 4.759 4.527 -0.000 0.000 0.298 171 F C 2.505 178.175 175.800 -0.216 0.000 1.119 171 F CA 0.564 58.494 58.000 -0.118 0.000 1.451 171 F CB 0.018 38.958 39.000 -0.100 0.000 1.091 171 F HN 0.228 nan 8.300 nan 0.000 0.563 172 K N 0.476 120.681 120.400 -0.326 0.000 2.160 172 K HA -0.247 4.073 4.320 -0.000 0.000 0.206 172 K C 0.781 177.127 176.600 -0.423 0.000 1.047 172 K CA 1.812 57.699 56.287 -0.667 0.000 0.930 172 K CB -0.887 30.895 32.500 -1.196 0.000 0.720 172 K HN 0.318 nan 8.250 nan 0.000 0.450 173 Y N 1.397 121.638 120.300 -0.098 0.000 2.465 173 Y HA 0.111 4.661 4.550 -0.000 0.000 0.311 173 Y C 1.045 176.966 175.900 0.036 0.000 1.204 173 Y CA -0.123 57.954 58.100 -0.038 0.000 1.272 173 Y CB 0.281 38.708 38.460 -0.055 0.000 1.083 173 Y HN 0.133 nan 8.280 nan 0.000 0.508 174 E N -0.350 119.937 120.200 0.145 0.000 2.498 174 E HA 0.059 4.409 4.350 -0.000 0.000 0.203 174 E C 0.977 177.659 176.600 0.137 0.000 1.013 174 E CA 0.134 56.653 56.400 0.198 0.000 0.927 174 E CB 0.135 29.923 29.700 0.145 0.000 1.012 174 E HN 0.378 nan 8.360 nan 0.000 0.482 175 S N 0.063 115.797 115.700 0.057 0.000 2.641 175 S HA 0.405 4.875 4.470 -0.000 0.000 0.251 175 S C 1.034 175.615 174.600 -0.031 0.000 1.332 175 S CA 0.107 58.308 58.200 0.001 0.000 0.968 175 S CB 0.648 63.846 63.200 -0.004 0.000 0.987 175 S HN 0.320 nan 8.310 nan 0.000 0.587 176 G N -1.091 107.665 108.800 -0.073 0.000 2.828 176 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.463 176 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.463 176 G C -0.284 174.459 174.900 -0.262 0.000 1.394 176 G CA -0.343 44.690 45.100 -0.110 0.000 0.862 176 G HN 1.569 nan 8.290 nan 0.000 0.540 177 V N 1.234 121.020 119.914 -0.212 0.000 3.295 177 V HA 0.722 4.842 4.120 -0.000 0.000 0.308 177 V C 0.089 176.008 176.094 -0.292 0.000 1.068 177 V CA -0.609 61.552 62.300 -0.233 0.000 1.062 177 V CB 1.436 33.214 31.823 -0.074 0.000 1.162 177 V HN 0.916 nan 8.190 nan 0.000 0.456 178 H N 3.053 122.252 119.070 0.215 0.000 2.667 178 H HA 0.461 5.017 4.556 -0.000 0.000 0.353 178 H C -0.372 175.089 175.328 0.221 0.000 1.072 178 H CA -0.535 55.729 56.048 0.361 0.000 1.214 178 H CB 1.370 31.486 29.762 0.591 0.000 1.600 178 H HN 0.629 nan 8.280 nan 0.000 0.527 179 R N 1.523 122.207 120.500 0.305 0.000 2.500 179 R HA 0.541 4.881 4.340 -0.000 0.000 0.275 179 R C -1.041 175.193 176.300 -0.109 0.000 1.051 179 R CA -0.703 55.420 56.100 0.039 0.000 1.088 179 R CB 1.050 31.365 30.300 0.025 0.000 1.063 179 R HN 0.366 nan 8.270 nan 0.000 0.511 180 V N 3.970 123.658 119.914 -0.378 0.000 2.697 180 V HA 0.258 4.378 4.120 -0.000 0.000 0.300 180 V C -1.696 174.177 176.094 -0.368 0.000 1.115 180 V CA -0.497 61.462 62.300 -0.568 0.000 0.912 180 V CB 2.103 33.099 31.823 -1.379 0.000 1.024 180 V HN 0.875 nan 8.190 nan 0.000 0.431 181 Q N 6.801 126.412 119.800 -0.314 0.000 2.307 181 Q HA 0.807 5.147 4.340 -0.000 0.000 0.262 181 Q C -0.437 175.459 176.000 -0.172 0.000 0.961 181 Q CA -0.663 55.029 55.803 -0.185 0.000 0.882 181 Q CB 2.293 30.963 28.738 -0.113 0.000 1.264 181 Q HN 0.848 nan 8.270 nan 0.000 0.446 182 R N -0.779 119.709 120.500 -0.020 0.000 2.828 182 R HA 0.303 4.643 4.340 -0.000 0.000 0.280 182 R C -1.927 174.460 176.300 0.145 0.000 1.020 182 R CA -0.740 55.447 56.100 0.144 0.000 0.855 182 R CB 0.437 30.953 30.300 0.359 0.000 1.278 182 R HN 0.325 nan 8.270 nan 0.000 0.495 183 V N 3.383 123.396 119.914 0.164 0.000 2.389 183 V HA 0.323 4.443 4.120 -0.000 0.000 0.264 183 V C -1.613 174.567 176.094 0.144 0.000 1.049 183 V CA -1.259 61.125 62.300 0.140 0.000 0.932 183 V CB 0.628 32.514 31.823 0.105 0.000 1.011 183 V HN 0.653 nan 8.190 nan 0.000 0.475 184 P HA 0.127 nan 4.420 nan 0.000 0.272 184 P C 1.050 178.395 177.300 0.075 0.000 1.240 184 P CA -0.131 63.030 63.100 0.102 0.000 0.791 184 P CB 1.220 32.955 31.700 0.058 0.000 0.978 185 V N 0.610 120.560 119.914 0.059 0.000 2.626 185 V HA -0.170 3.949 4.120 -0.000 0.000 0.252 185 V C 2.446 178.557 176.094 0.027 0.000 1.067 185 V CA 2.606 64.930 62.300 0.040 0.000 1.081 185 V CB -1.944 29.898 31.823 0.032 0.000 0.686 185 V HN 0.750 nan 8.190 nan 0.000 0.468 186 T N -3.361 111.204 114.554 0.018 0.000 3.088 186 T HA 0.018 4.368 4.350 -0.000 0.000 0.259 186 T C 0.874 175.579 174.700 0.008 0.000 1.122 186 T CA 0.129 62.231 62.100 0.004 0.000 1.095 186 T CB 0.003 68.861 68.868 -0.017 0.000 0.930 186 T HN 0.353 nan 8.240 nan 0.000 0.508 187 E N 1.071 121.288 120.200 0.028 0.000 2.435 187 E HA 0.218 4.568 4.350 -0.000 0.000 0.256 187 E C 0.599 177.225 176.600 0.044 0.000 1.245 187 E CA 0.286 56.717 56.400 0.052 0.000 0.989 187 E CB 1.032 30.793 29.700 0.100 0.000 0.983 187 E HN 0.302 nan 8.360 nan 0.000 0.480 188 T N -0.165 114.419 114.554 0.051 0.000 3.429 188 T HA -0.011 4.339 4.350 -0.000 0.000 0.212 188 T C 0.005 174.729 174.700 0.040 0.000 0.980 188 T CA -0.311 61.812 62.100 0.038 0.000 1.201 188 T CB 0.012 68.899 68.868 0.031 0.000 1.289 188 T HN 0.209 nan 8.240 nan 0.000 0.346 189 Q N 2.816 122.641 119.800 0.042 0.000 2.300 189 Q HA 0.254 4.594 4.340 -0.000 0.000 0.262 189 Q C 0.196 176.220 176.000 0.041 0.000 1.109 189 Q CA -0.202 55.622 55.803 0.035 0.000 0.905 189 Q CB 0.234 28.990 28.738 0.030 0.000 1.280 189 Q HN 0.610 nan 8.270 nan 0.000 0.426 190 G N 4.971 113.793 108.800 0.036 0.000 2.417 190 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.285 190 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.285 190 G C -0.011 174.908 174.900 0.030 0.000 0.715 190 G CA 0.377 45.501 45.100 0.039 0.000 1.206 190 G HN 0.586 nan 8.290 nan 0.000 0.292 191 R N 2.245 122.773 120.500 0.045 0.000 2.621 191 R HA 0.442 4.782 4.340 -0.000 0.000 0.292 191 R C -0.584 175.700 176.300 -0.027 0.000 0.969 191 R CA -1.198 54.896 56.100 -0.010 0.000 0.887 191 R CB 1.293 31.582 30.300 -0.018 0.000 1.180 191 R HN 0.372 nan 8.270 nan 0.000 0.450 192 I N 3.794 124.301 120.570 -0.104 0.000 2.452 192 I HA 0.160 4.330 4.170 -0.000 0.000 0.287 192 I C -1.035 174.953 176.117 -0.216 0.000 1.079 192 I CA 0.246 61.495 61.300 -0.086 0.000 1.387 192 I CB 0.220 38.182 38.000 -0.064 0.000 1.404 192 I HN 0.536 nan 8.210 nan 0.000 0.522 193 H N 5.581 124.647 119.070 -0.007 0.000 2.800 193 H HA 0.316 4.872 4.556 -0.000 0.000 0.322 193 H C -0.393 174.903 175.328 -0.054 0.000 0.979 193 H CA -0.542 55.492 56.048 -0.023 0.000 1.277 193 H CB 1.264 31.019 29.762 -0.012 0.000 1.484 193 H HN 0.538 nan 8.280 nan 0.000 0.512 194 T N 2.450 117.028 114.554 0.040 0.000 2.918 194 T HA 0.345 4.695 4.350 -0.000 0.000 0.302 194 T C 0.287 174.966 174.700 -0.036 0.000 1.045 194 T CA -0.064 62.016 62.100 -0.033 0.000 1.114 194 T CB 0.756 69.600 68.868 -0.041 0.000 0.965 194 T HN 0.489 nan 8.240 nan 0.000 0.540 195 S N 0.213 115.838 115.700 -0.125 0.000 2.656 195 S HA 0.804 5.274 4.470 -0.000 0.000 0.273 195 S C -0.297 174.195 174.600 -0.181 0.000 1.168 195 S CA -1.076 57.048 58.200 -0.127 0.000 0.817 195 S CB 2.100 65.224 63.200 -0.126 0.000 1.146 195 S HN 0.978 nan 8.310 nan 0.000 0.475 196 T N -1.759 112.736 114.554 -0.099 0.000 2.804 196 T HA 0.959 5.309 4.350 -0.000 0.000 0.290 196 T C -1.115 173.639 174.700 0.091 0.000 1.099 196 T CA -0.775 61.305 62.100 -0.032 0.000 1.011 196 T CB 1.646 70.512 68.868 -0.004 0.000 1.291 196 T HN 1.532 nan 8.240 nan 0.000 0.523 197 A N 0.565 123.491 122.820 0.178 0.000 2.573 197 A HA 0.656 4.976 4.320 -0.000 0.000 0.299 197 A C -0.376 177.298 177.584 0.151 0.000 1.060 197 A CA -0.439 51.733 52.037 0.226 0.000 0.736 197 A CB 1.089 20.340 19.000 0.419 0.000 1.280 197 A HN 1.271 nan 8.150 nan 0.000 0.401 198 T N 0.673 115.273 114.554 0.077 0.000 2.829 198 T HA 0.586 4.936 4.350 -0.000 0.000 0.282 198 T C -0.933 173.767 174.700 -0.000 0.000 0.990 198 T CA -0.300 61.795 62.100 -0.009 0.000 1.028 198 T CB 0.686 69.544 68.868 -0.016 0.000 0.951 198 T HN 1.154 nan 8.240 nan 0.000 0.460 199 V N 5.079 124.952 119.914 -0.068 0.000 2.250 199 V HA 0.617 4.737 4.120 -0.000 0.000 0.268 199 V C 0.661 176.701 176.094 -0.090 0.000 1.043 199 V CA -0.947 61.318 62.300 -0.059 0.000 0.814 199 V CB 0.279 32.115 31.823 0.023 0.000 1.072 199 V HN 1.154 nan 8.190 nan 0.000 0.451 200 A N 4.590 127.366 122.820 -0.073 0.000 2.340 200 A HA 0.806 5.126 4.320 -0.000 0.000 0.268 200 A C -0.376 177.166 177.584 -0.070 0.000 1.100 200 A CA -0.221 51.782 52.037 -0.056 0.000 0.803 200 A CB 0.917 19.895 19.000 -0.037 0.000 1.043 200 A HN 0.652 nan 8.150 nan 0.000 0.488 201 V N 2.647 122.546 119.914 -0.025 0.000 2.808 201 V HA 0.665 4.785 4.120 -0.000 0.000 0.308 201 V C -0.590 175.552 176.094 0.080 0.000 1.099 201 V CA -0.392 61.916 62.300 0.015 0.000 0.920 201 V CB 1.362 33.217 31.823 0.052 0.000 1.014 201 V HN 1.122 nan 8.190 nan 0.000 0.425 202 L N 2.264 123.473 121.223 -0.023 0.000 2.545 202 L HA 0.789 5.129 4.340 -0.000 0.000 0.258 202 L C -3.047 173.598 176.870 -0.376 0.000 0.942 202 L CA -1.785 52.922 54.840 -0.221 0.000 0.855 202 L CB 2.683 44.662 42.059 -0.134 0.000 1.374 202 L HN 0.392 nan 8.230 nan 0.000 0.411 203 P HA 0.156 nan 4.420 nan 0.000 0.275 203 P C -1.200 175.966 177.300 -0.222 0.000 1.227 203 P CA -0.179 62.634 63.100 -0.479 0.000 0.781 203 P CB 0.947 32.308 31.700 -0.566 0.000 0.906 204 K N 1.809 122.134 120.400 -0.125 0.000 2.202 204 K HA 0.657 4.977 4.320 -0.000 0.000 0.264 204 K C -0.272 176.292 176.600 -0.061 0.000 1.010 204 K CA -0.693 55.551 56.287 -0.071 0.000 0.940 204 K CB 0.700 33.182 32.500 -0.030 0.000 0.983 204 K HN 0.459 nan 8.250 nan 0.000 0.475 205 A N 1.279 124.072 122.820 -0.046 0.000 2.686 205 A HA 0.620 4.940 4.320 -0.000 0.000 0.263 205 A C -1.229 176.344 177.584 -0.019 0.000 1.264 205 A CA -0.577 51.440 52.037 -0.035 0.000 0.799 205 A CB 1.566 20.541 19.000 -0.043 0.000 1.363 205 A HN 0.734 nan 8.150 nan 0.000 0.507 206 E N 0.300 120.492 120.200 -0.013 0.000 2.531 206 E HA 0.200 4.550 4.350 -0.000 0.000 0.323 206 E C -1.834 174.769 176.600 0.006 0.000 0.908 206 E CA -0.271 56.128 56.400 -0.001 0.000 0.792 206 E CB 1.556 31.259 29.700 0.004 0.000 1.360 206 E HN 0.602 nan 8.360 nan 0.000 0.394 207 E N 2.326 122.533 120.200 0.012 0.000 2.081 207 E HA 0.016 4.366 4.350 -0.000 0.000 0.270 207 E C -0.078 176.555 176.600 0.056 0.000 1.180 207 E CA 0.367 56.785 56.400 0.030 0.000 0.926 207 E CB 0.315 30.040 29.700 0.041 0.000 1.035 207 E HN 0.287 nan 8.360 nan 0.000 0.418 208 E N 4.179 124.415 120.200 0.059 0.000 2.441 208 E HA -0.061 4.289 4.350 -0.000 0.000 0.210 208 E C -0.691 175.964 176.600 0.091 0.000 1.306 208 E CA 0.046 56.484 56.400 0.063 0.000 1.307 208 E CB -0.291 29.440 29.700 0.051 0.000 1.297 208 E HN 0.535 nan 8.360 nan 0.000 0.440 209 D N 0.343 120.807 120.400 0.107 0.000 2.737 209 D HA -0.239 4.401 4.640 -0.000 0.000 0.238 209 D C -0.402 175.955 176.300 0.095 0.000 1.157 209 D CA 0.784 54.834 54.000 0.083 0.000 0.694 209 D CB -2.059 38.759 40.800 0.031 0.000 1.021 209 D HN 0.425 nan 8.370 nan 0.000 0.420 210 F N -0.850 119.098 119.950 -0.004 0.000 2.484 210 F HA 0.508 5.035 4.527 -0.000 0.000 0.360 210 F C 0.501 176.302 175.800 0.002 0.000 1.101 210 F CA -0.669 57.331 58.000 0.000 0.000 1.251 210 F CB 0.767 39.767 39.000 0.001 0.000 1.132 210 F HN 0.139 nan 8.300 nan 0.000 0.570 211 A N 4.829 127.484 122.820 -0.274 0.000 2.248 211 A HA 0.699 5.019 4.320 -0.000 0.000 0.316 211 A C -0.712 176.728 177.584 -0.240 0.000 1.101 211 A CA -1.078 50.739 52.037 -0.367 0.000 0.875 211 A CB 0.491 19.401 19.000 -0.150 0.000 1.207 211 A HN 0.844 nan 8.150 nan 0.000 0.504 212 L N 0.956 122.080 121.223 -0.165 0.000 2.455 212 L HA 0.170 4.510 4.340 -0.000 0.000 0.272 212 L C 0.617 177.543 176.870 0.094 0.000 1.174 212 L CA -0.115 54.742 54.840 0.027 0.000 0.869 212 L CB -0.543 41.531 42.059 0.025 0.000 1.130 212 L HN 0.633 nan 8.230 nan 0.000 0.474 213 N N 3.322 122.125 118.700 0.173 0.000 2.399 213 N HA 0.080 4.820 4.740 -0.000 0.000 0.259 213 N C 0.762 176.312 175.510 0.067 0.000 1.160 213 N CA -0.122 52.998 53.050 0.116 0.000 0.946 213 N CB 0.612 39.176 38.487 0.129 0.000 1.156 213 N HN 0.519 nan 8.380 nan 0.000 0.489 214 M N 1.446 121.070 119.600 0.041 0.000 2.446 214 M HA -0.093 4.387 4.480 -0.000 0.000 0.263 214 M C 0.369 176.673 176.300 0.007 0.000 1.066 214 M CA 0.963 56.276 55.300 0.022 0.000 1.087 214 M CB -0.483 32.126 32.600 0.014 0.000 1.406 214 M HN 0.447 nan 8.290 nan 0.000 0.459 215 D N 0.592 120.994 120.400 0.003 0.000 2.348 215 D HA -0.046 4.594 4.640 -0.000 0.000 0.211 215 D C 0.991 177.268 176.300 -0.038 0.000 0.998 215 D CA 0.505 54.497 54.000 -0.012 0.000 0.873 215 D CB 0.250 41.047 40.800 -0.006 0.000 0.925 215 D HN 0.566 nan 8.370 nan 0.000 0.524 216 E N 0.382 120.546 120.200 -0.060 0.000 2.736 216 E HA 0.160 4.510 4.350 -0.000 0.000 0.208 216 E C -0.393 176.093 176.600 -0.190 0.000 0.996 216 E CA -0.212 56.094 56.400 -0.155 0.000 1.104 216 E CB 0.538 30.098 29.700 -0.234 0.000 1.111 216 E HN -0.007 nan 8.360 nan 0.000 0.455 217 I N 1.959 122.485 120.570 -0.073 0.000 2.497 217 I HA 0.298 4.468 4.170 -0.000 0.000 0.284 217 I C -0.551 175.558 176.117 -0.012 0.000 1.060 217 I CA -0.609 60.676 61.300 -0.024 0.000 1.071 217 I CB 1.703 39.722 38.000 0.031 0.000 1.216 217 I HN 0.186 nan 8.210 nan 0.000 0.442 218 R N 6.786 127.280 120.500 -0.011 0.000 2.312 218 R HA 0.661 5.001 4.340 -0.000 0.000 0.311 218 R C -1.068 175.235 176.300 0.005 0.000 1.004 218 R CA -0.506 55.591 56.100 -0.005 0.000 0.902 218 R CB 1.293 31.588 30.300 -0.009 0.000 1.073 218 R HN 0.550 nan 8.270 nan 0.000 0.457 219 I N 4.451 125.023 120.570 0.004 0.000 2.312 219 I HA 0.164 4.334 4.170 -0.000 0.000 0.290 219 I C -0.491 175.629 176.117 0.004 0.000 1.008 219 I CA -0.584 60.720 61.300 0.006 0.000 1.226 219 I CB 1.515 39.518 38.000 0.005 0.000 1.371 219 I HN 0.482 nan 8.210 nan 0.000 0.468 220 D N 6.095 126.498 120.400 0.005 0.000 2.177 220 D HA 0.462 5.102 4.640 -0.000 0.000 0.247 220 D C -0.390 175.912 176.300 0.004 0.000 1.063 220 D CA -0.025 53.977 54.000 0.004 0.000 0.867 220 D CB 2.394 43.197 40.800 0.005 0.000 1.168 220 D HN 0.261 nan 8.370 nan 0.000 0.445 221 V N -0.380 119.536 119.914 0.002 0.000 2.914 221 V HA 0.900 5.020 4.120 -0.000 0.000 0.314 221 V C -0.348 175.747 176.094 0.002 0.000 1.084 221 V CA -0.886 61.415 62.300 0.002 0.000 0.963 221 V CB 1.908 33.732 31.823 0.001 0.000 1.025 221 V HN 0.705 nan 8.190 nan 0.000 0.432 222 M N 0.744 120.344 119.600 0.002 0.000 3.069 222 M HA 0.668 5.148 4.480 -0.000 0.000 0.274 222 M C -1.167 175.134 176.300 0.001 0.000 1.146 222 M CA -0.955 54.346 55.300 0.001 0.000 0.807 222 M CB 1.698 34.299 32.600 0.002 0.000 1.621 222 M HN 0.544 nan 8.290 nan 0.000 0.521 223 R N 1.546 122.046 120.500 0.001 0.000 2.623 223 R HA 0.627 4.967 4.340 -0.000 0.000 0.271 223 R C 0.208 176.509 176.300 0.001 0.000 1.043 223 R CA 0.965 57.065 56.100 0.001 0.000 1.083 223 R CB 0.415 30.715 30.300 0.001 0.000 0.974 223 R HN 0.761 nan 8.270 nan 0.000 0.436 224 A N 1.347 124.168 122.820 0.001 0.000 2.346 224 A HA 0.320 4.640 4.320 -0.000 0.000 0.255 224 A C -0.166 177.419 177.584 0.001 0.000 1.113 224 A CA -0.027 52.010 52.037 0.001 0.000 0.798 224 A CB 0.504 19.505 19.000 0.000 0.000 1.073 224 A HN 0.510 nan 8.150 nan 0.000 0.502 225 S N -0.600 115.100 115.700 0.001 0.000 2.733 225 S HA 0.635 5.105 4.470 -0.000 0.000 0.307 225 S C -0.074 174.526 174.600 0.000 0.000 1.127 225 S CA 0.496 58.696 58.200 0.001 0.000 1.097 225 S CB -0.207 62.993 63.200 0.001 0.000 1.003 225 S HN 2.370 nan 8.310 nan 0.000 0.477 226 G N 4.770 113.570 108.800 0.000 0.000 2.340 226 G HA2 0.178 4.138 3.960 -0.000 0.000 0.282 226 G HA3 0.178 4.138 3.960 -0.000 0.000 0.282 226 G C -3.149 171.751 174.900 -0.000 0.000 1.312 226 G CA -0.597 44.503 45.100 -0.000 0.000 0.942 226 G HN 0.616 nan 8.290 nan 0.000 0.495 227 P HA 0.497 nan 4.420 nan 0.000 0.280 227 P C 0.932 178.232 177.300 -0.000 0.000 1.278 227 P CA 1.433 64.533 63.100 -0.000 0.000 0.787 227 P CB 0.612 32.312 31.700 -0.001 0.000 1.163 228 G N -3.301 105.499 108.800 -0.001 0.000 2.672 228 G HA2 0.262 4.222 3.960 -0.000 0.000 0.197 228 G HA3 0.262 4.222 3.960 -0.000 0.000 0.197 228 G C 0.532 175.431 174.900 -0.001 0.000 0.995 228 G CA 0.352 45.451 45.100 -0.001 0.000 0.754 228 G HN 0.976 nan 8.290 nan 0.000 0.505 229 G N 0.275 109.075 108.800 -0.000 0.000 2.512 229 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.254 229 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.254 229 G C 0.752 175.652 174.900 -0.000 0.000 1.199 229 G CA 1.057 46.156 45.100 -0.000 0.000 0.941 229 G HN 1.163 nan 8.290 nan 0.000 0.569 230 Q N 0.579 120.379 119.800 -0.000 0.000 2.291 230 Q HA 0.048 4.387 4.340 -0.000 0.000 0.206 230 Q C 2.643 178.643 176.000 -0.000 0.000 0.976 230 Q CA 2.326 58.129 55.803 -0.000 0.000 0.875 230 Q CB -0.774 27.963 28.738 -0.000 0.000 0.927 230 Q HN 0.935 nan 8.270 nan 0.000 0.450 231 G N 0.041 108.841 108.800 -0.000 0.000 2.434 231 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.214 231 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.214 231 G C 1.317 176.217 174.900 -0.000 0.000 1.202 231 G CA 0.666 45.766 45.100 -0.001 0.000 0.788 231 G HN 0.337 nan 8.290 nan 0.000 0.539 232 V N 1.558 121.472 119.914 -0.000 0.000 2.546 232 V HA -0.211 3.909 4.120 -0.000 0.000 0.254 232 V C 2.401 178.495 176.094 -0.000 0.000 1.076 232 V CA 2.537 64.837 62.300 -0.000 0.000 1.087 232 V CB -0.530 31.293 31.823 -0.000 0.000 0.674 232 V HN 0.340 nan 8.190 nan 0.000 0.470 233 N N -0.013 118.687 118.700 -0.000 0.000 2.092 233 N HA -0.111 4.629 4.740 -0.000 0.000 0.189 233 N C 1.930 177.440 175.510 -0.000 0.000 1.040 233 N CA 2.148 55.197 53.050 -0.000 0.000 0.845 233 N CB -0.956 37.531 38.487 -0.000 0.000 1.017 233 N HN 0.614 nan 8.380 nan 0.000 0.426 234 T N 0.424 114.978 114.554 -0.000 0.000 2.684 234 T HA -0.030 4.320 4.350 -0.000 0.000 0.253 234 T C 0.425 175.125 174.700 -0.000 0.000 1.057 234 T CA 0.894 62.994 62.100 -0.000 0.000 1.162 234 T CB -0.878 67.990 68.868 -0.000 0.000 0.868 234 T HN 0.120 nan 8.240 nan 0.000 0.409 235 T N 3.603 118.157 114.554 -0.000 0.000 2.761 235 T HA 0.071 4.421 4.350 -0.000 0.000 0.262 235 T C 0.667 175.366 174.700 -0.000 0.000 0.968 235 T CA 0.242 62.341 62.100 -0.000 0.000 1.235 235 T CB -0.014 68.854 68.868 -0.001 0.000 0.925 235 T HN 0.626 nan 8.240 nan 0.000 0.545 236 D N 2.525 122.925 120.400 -0.000 0.000 2.098 236 D HA -0.134 4.506 4.640 -0.000 0.000 0.207 236 D C 1.112 177.412 176.300 0.000 0.000 0.979 236 D CA 1.121 55.121 54.000 0.000 0.000 0.878 236 D CB -0.665 40.135 40.800 0.000 0.000 1.028 236 D HN 0.450 nan 8.370 nan 0.000 0.452 237 S N -1.490 114.210 115.700 -0.000 0.000 3.382 237 S HA -0.137 4.333 4.470 -0.000 0.000 0.293 237 S C 0.131 174.731 174.600 0.000 0.000 1.262 237 S CA 0.450 58.650 58.200 -0.000 0.000 0.969 237 S CB -1.951 61.248 63.200 -0.001 0.000 1.136 237 S HN 0.914 nan 8.310 nan 0.000 0.635 238 A N 1.034 123.854 122.820 0.001 0.000 2.249 238 A HA 0.665 4.985 4.320 -0.000 0.000 0.314 238 A C -0.020 177.565 177.584 0.002 0.000 1.290 238 A CA -0.354 51.684 52.037 0.001 0.000 0.893 238 A CB 0.766 19.767 19.000 0.001 0.000 1.165 238 A HN 0.472 nan 8.150 nan 0.000 0.530 239 V N 3.561 123.476 119.914 0.002 0.000 2.459 239 V HA 0.615 4.735 4.120 -0.000 0.000 0.295 239 V C 0.232 176.329 176.094 0.005 0.000 1.029 239 V CA -0.733 61.569 62.300 0.003 0.000 0.874 239 V CB 1.532 33.356 31.823 0.002 0.000 0.985 239 V HN 0.919 nan 8.190 nan 0.000 0.438 240 R N 3.689 124.193 120.500 0.006 0.000 2.513 240 R HA 0.736 5.076 4.340 -0.000 0.000 0.301 240 R C -1.167 175.141 176.300 0.012 0.000 0.968 240 R CA -0.318 55.787 56.100 0.009 0.000 0.872 240 R CB 2.132 32.437 30.300 0.009 0.000 1.177 240 R HN 0.689 nan 8.270 nan 0.000 0.444 241 V N 1.149 121.073 119.914 0.017 0.000 2.975 241 V HA 0.807 4.927 4.120 -0.000 0.000 0.318 241 V C -0.610 175.505 176.094 0.035 0.000 1.077 241 V CA -0.734 61.581 62.300 0.024 0.000 1.000 241 V CB 1.801 33.641 31.823 0.028 0.000 1.066 241 V HN 0.476 nan 8.190 nan 0.000 0.452 242 V N 1.912 121.852 119.914 0.044 0.000 2.671 242 V HA 0.341 4.461 4.120 -0.000 0.000 0.292 242 V C -0.743 175.396 176.094 0.075 0.000 1.115 242 V CA -0.421 61.914 62.300 0.058 0.000 0.918 242 V CB 1.195 33.038 31.823 0.034 0.000 1.036 242 V HN 1.292 nan 8.190 nan 0.000 0.445 243 H N 6.648 125.731 119.070 0.021 0.000 3.086 243 H HA 0.170 4.726 4.556 -0.000 0.000 0.265 243 H C 0.531 175.872 175.328 0.021 0.000 1.092 243 H CA 0.208 56.273 56.048 0.028 0.000 1.487 243 H CB 1.467 31.253 29.762 0.040 0.000 1.514 243 H HN 0.708 nan 8.280 nan 0.000 0.497 244 L N 7.620 128.707 121.223 -0.226 0.000 2.017 244 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 244 L C -0.446 176.372 176.870 -0.086 0.000 1.073 244 L CA 1.385 56.149 54.840 -0.126 0.000 0.745 244 L CB -1.637 40.348 42.059 -0.124 0.000 0.894 244 L HN 0.562 nan 8.230 nan 0.000 0.432 245 P HA -0.093 nan 4.420 nan 0.000 0.225 245 P C 1.144 178.527 177.300 0.138 0.000 1.148 245 P CA 1.562 64.656 63.100 -0.009 0.000 0.779 245 P CB -0.127 31.576 31.700 0.004 0.000 0.780 246 T N -7.400 107.328 114.554 0.289 0.000 3.003 246 T HA 0.407 4.757 4.350 -0.000 0.000 0.261 246 T C 1.675 176.452 174.700 0.128 0.000 1.003 246 T CA 0.506 62.729 62.100 0.205 0.000 0.917 246 T CB -0.189 68.785 68.868 0.176 0.000 1.084 246 T HN 0.158 nan 8.240 nan 0.000 0.522 247 G N 1.912 110.785 108.800 0.122 0.000 2.353 247 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.258 247 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.258 247 G C 0.252 175.195 174.900 0.072 0.000 1.013 247 G CA 0.267 45.410 45.100 0.071 0.000 0.622 247 G HN 0.710 nan 8.290 nan 0.000 0.535 248 I N 2.470 123.091 120.570 0.086 0.000 2.948 248 I HA 0.454 4.624 4.170 -0.000 0.000 0.290 248 I C 0.667 176.826 176.117 0.071 0.000 1.226 248 I CA 0.854 62.190 61.300 0.061 0.000 1.413 248 I CB 0.681 38.703 38.000 0.037 0.000 1.352 248 I HN 0.585 nan 8.210 nan 0.000 0.597 249 M N 8.387 128.015 119.600 0.046 0.000 2.578 249 M HA 0.626 5.106 4.480 -0.000 0.000 0.276 249 M C -1.802 174.515 176.300 0.028 0.000 1.245 249 M CA -0.653 54.673 55.300 0.043 0.000 0.871 249 M CB 1.903 34.523 32.600 0.035 0.000 1.722 249 M HN 0.363 nan 8.290 nan 0.000 0.473 250 V N -1.395 118.534 119.914 0.025 0.000 3.181 250 V HA 1.012 5.132 4.120 -0.000 0.000 0.308 250 V C -1.059 175.044 176.094 0.014 0.000 1.214 250 V CA -0.195 62.115 62.300 0.016 0.000 1.053 250 V CB 1.716 33.547 31.823 0.013 0.000 1.069 250 V HN 1.248 nan 8.190 nan 0.000 0.441 251 T N 0.018 114.578 114.554 0.009 0.000 2.957 251 T HA 0.650 5.000 4.350 -0.000 0.000 0.336 251 T C -1.558 173.145 174.700 0.004 0.000 1.462 251 T CA -0.070 62.035 62.100 0.007 0.000 1.073 251 T CB 1.305 70.177 68.868 0.007 0.000 1.319 251 T HN 1.260 nan 8.240 nan 0.000 0.485 252 C N 2.482 121.784 119.300 0.003 0.000 2.994 252 C HA 0.779 5.239 4.460 -0.000 0.000 0.304 252 C C 0.250 175.241 174.990 0.001 0.000 1.273 252 C CA -0.431 58.587 59.018 0.001 0.000 1.537 252 C CB 1.896 29.636 27.740 -0.000 0.000 2.001 252 C HN 1.086 nan 8.230 nan 0.000 0.471 253 Q N -0.637 119.163 119.800 0.000 0.000 1.859 253 Q HA 0.105 4.445 4.340 -0.000 0.000 0.180 253 Q C -0.383 175.617 176.000 -0.001 0.000 0.765 253 Q CA -0.011 55.792 55.803 0.000 0.000 0.888 253 Q CB -0.293 28.445 28.738 0.001 0.000 1.230 253 Q HN 0.673 nan 8.270 nan 0.000 0.402 254 D N 0.916 121.315 120.400 -0.001 0.000 2.348 254 D HA 0.086 4.725 4.640 -0.000 0.000 0.248 254 D C -0.016 176.283 176.300 -0.002 0.000 1.142 254 D CA 0.340 54.340 54.000 -0.001 0.000 0.904 254 D CB 0.594 41.393 40.800 -0.002 0.000 0.901 254 D HN 0.121 nan 8.370 nan 0.000 0.523 255 S N -0.941 114.758 115.700 -0.002 0.000 2.536 255 S HA 0.333 4.803 4.470 -0.000 0.000 0.271 255 S C 0.593 175.192 174.600 -0.002 0.000 1.134 255 S CA -0.917 57.282 58.200 -0.002 0.000 0.897 255 S CB 1.228 64.426 63.200 -0.003 0.000 1.094 255 S HN -0.019 nan 8.310 nan 0.000 0.473 256 R N 1.293 121.792 120.500 -0.002 0.000 2.127 256 R HA -0.011 4.329 4.340 -0.000 0.000 0.238 256 R C 0.832 177.131 176.300 -0.002 0.000 1.134 256 R CA 0.970 57.069 56.100 -0.001 0.000 0.975 256 R CB -0.246 30.053 30.300 -0.002 0.000 0.865 256 R HN 0.462 nan 8.270 nan 0.000 0.447 257 S N 0.212 115.911 115.700 -0.002 0.000 2.545 257 S HA 0.005 4.475 4.470 -0.000 0.000 0.275 257 S C 0.873 175.472 174.600 -0.002 0.000 1.299 257 S CA -0.564 57.635 58.200 -0.002 0.000 1.048 257 S CB 1.723 64.921 63.200 -0.002 0.000 0.938 257 S HN 0.276 nan 8.310 nan 0.000 0.496 258 Q N 4.140 123.939 119.800 -0.002 0.000 2.083 258 Q HA -0.088 4.252 4.340 -0.000 0.000 0.198 258 Q C 1.833 177.832 176.000 -0.002 0.000 0.969 258 Q CA 1.663 57.465 55.803 -0.001 0.000 0.838 258 Q CB -0.162 28.576 28.738 -0.001 0.000 0.900 258 Q HN 0.942 nan 8.270 nan 0.000 0.436 259 I N -1.094 119.475 120.570 -0.002 0.000 2.252 259 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 259 I C 1.637 177.752 176.117 -0.004 0.000 1.102 259 I CA 1.496 62.794 61.300 -0.003 0.000 1.385 259 I CB -1.039 36.959 38.000 -0.003 0.000 1.064 259 I HN 0.127 nan 8.210 nan 0.000 0.414 260 K N 1.224 121.621 120.400 -0.004 0.000 2.103 260 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 260 K C 1.970 178.568 176.600 -0.004 0.000 1.048 260 K CA 1.643 57.928 56.287 -0.004 0.000 0.930 260 K CB -0.251 32.247 32.500 -0.004 0.000 0.716 260 K HN 0.455 nan 8.250 nan 0.000 0.444 261 N N 0.742 119.440 118.700 -0.003 0.000 2.171 261 N HA -0.144 4.596 4.740 -0.000 0.000 0.184 261 N C 1.793 177.301 175.510 -0.002 0.000 1.021 261 N CA 0.872 53.921 53.050 -0.002 0.000 0.854 261 N CB -0.186 38.300 38.487 -0.001 0.000 0.994 261 N HN 0.209 nan 8.380 nan 0.000 0.426 262 R N 1.300 121.799 120.500 -0.002 0.000 2.091 262 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 262 R C 1.763 178.060 176.300 -0.004 0.000 1.136 262 R CA 1.473 57.572 56.100 -0.002 0.000 0.959 262 R CB -0.002 30.298 30.300 -0.001 0.000 0.856 262 R HN 0.090 nan 8.270 nan 0.000 0.437 263 E N 0.425 120.622 120.200 -0.006 0.000 2.023 263 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 263 E C 1.889 178.482 176.600 -0.011 0.000 1.003 263 E CA 1.860 58.255 56.400 -0.009 0.000 0.809 263 E CB -0.002 29.692 29.700 -0.010 0.000 0.755 263 E HN 0.208 nan 8.360 nan 0.000 0.449 264 K N -0.337 120.058 120.400 -0.009 0.000 2.002 264 K HA -0.141 4.179 4.320 -0.000 0.000 0.209 264 K C 2.053 178.647 176.600 -0.009 0.000 1.048 264 K CA 1.353 57.633 56.287 -0.010 0.000 0.930 264 K CB -0.303 32.192 32.500 -0.008 0.000 0.714 264 K HN 0.165 nan 8.250 nan 0.000 0.438 265 A N 1.027 123.844 122.820 -0.005 0.000 1.958 265 A HA -0.211 4.109 4.320 -0.000 0.000 0.221 265 A C 2.106 179.689 177.584 -0.001 0.000 1.178 265 A CA 1.764 53.800 52.037 -0.001 0.000 0.642 265 A CB -0.741 18.261 19.000 0.002 0.000 0.816 265 A HN 0.345 nan 8.150 nan 0.000 0.453 266 L N -1.397 119.824 121.223 -0.005 0.000 2.044 266 L HA -0.146 4.194 4.340 -0.000 0.000 0.205 266 L C 2.739 179.596 176.870 -0.022 0.000 1.075 266 L CA 0.909 55.745 54.840 -0.007 0.000 0.747 266 L CB -0.486 41.568 42.059 -0.009 0.000 0.903 266 L HN 0.310 nan 8.230 nan 0.000 0.435 267 M N -0.557 119.027 119.600 -0.026 0.000 2.195 267 M HA -0.208 4.272 4.480 -0.000 0.000 0.260 267 M C 2.231 178.511 176.300 -0.035 0.000 1.066 267 M CA 1.836 57.114 55.300 -0.037 0.000 1.089 267 M CB -0.912 31.670 32.600 -0.030 0.000 1.377 267 M HN 0.209 nan 8.290 nan 0.000 0.411 268 I N -0.307 120.250 120.570 -0.022 0.000 2.400 268 I HA -0.138 4.032 4.170 -0.000 0.000 0.248 268 I C 2.345 178.453 176.117 -0.014 0.000 1.109 268 I CA 0.643 61.933 61.300 -0.016 0.000 1.425 268 I CB -0.674 37.321 38.000 -0.008 0.000 1.094 268 I HN 0.180 nan 8.210 nan 0.000 0.425 269 L N 0.596 121.815 121.223 -0.007 0.000 2.013 269 L HA -0.296 4.044 4.340 -0.000 0.000 0.212 269 L C 2.814 179.678 176.870 -0.010 0.000 1.073 269 L CA 1.736 56.578 54.840 0.005 0.000 0.753 269 L CB -0.319 41.754 42.059 0.024 0.000 0.890 269 L HN 0.271 nan 8.230 nan 0.000 0.432 270 R N -0.776 119.700 120.500 -0.040 0.000 2.070 270 R HA -0.215 4.125 4.340 -0.000 0.000 0.232 270 R C 2.477 178.731 176.300 -0.077 0.000 1.138 270 R CA 2.082 58.122 56.100 -0.101 0.000 0.936 270 R CB -0.539 29.660 30.300 -0.168 0.000 0.839 270 R HN 0.291 nan 8.270 nan 0.000 0.429 271 S N 0.063 115.728 115.700 -0.059 0.000 2.370 271 S HA -0.116 4.354 4.470 -0.000 0.000 0.226 271 S C 2.046 176.645 174.600 -0.003 0.000 1.033 271 S CA 1.064 59.244 58.200 -0.033 0.000 1.011 271 S CB -0.172 63.011 63.200 -0.029 0.000 0.852 271 S HN 0.356 nan 8.310 nan 0.000 0.457 272 R N 0.468 120.966 120.500 -0.003 0.000 2.073 272 R HA 0.001 4.341 4.340 -0.000 0.000 0.234 272 R C 2.380 178.687 176.300 0.012 0.000 1.134 272 R CA 1.273 57.375 56.100 0.003 0.000 0.952 272 R CB -0.932 29.367 30.300 -0.001 0.000 0.850 272 R HN 0.450 nan 8.270 nan 0.000 0.433 273 L N 0.768 122.002 121.223 0.019 0.000 2.046 273 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 273 L C 2.650 179.600 176.870 0.134 0.000 1.077 273 L CA 0.855 55.718 54.840 0.038 0.000 0.747 273 L CB -0.454 41.628 42.059 0.037 0.000 0.896 273 L HN 0.189 nan 8.230 nan 0.000 0.432 274 L N -0.149 121.191 121.223 0.194 0.000 2.079 274 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 274 L C 2.411 179.357 176.870 0.126 0.000 1.081 274 L CA 1.572 56.576 54.840 0.274 0.000 0.752 274 L CB -0.179 41.966 42.059 0.144 0.000 0.896 274 L HN 0.267 nan 8.230 nan 0.000 0.433 275 E N -0.595 119.642 120.200 0.062 0.000 2.204 275 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 275 E C 2.176 178.786 176.600 0.016 0.000 0.989 275 E CA 1.301 57.719 56.400 0.030 0.000 0.824 275 E CB -0.074 29.635 29.700 0.015 0.000 0.756 275 E HN 0.616 nan 8.360 nan 0.000 0.477 276 M N 0.274 119.880 119.600 0.011 0.000 2.156 276 M HA -0.117 4.363 4.480 -0.000 0.000 0.264 276 M C 2.078 178.363 176.300 -0.025 0.000 1.067 276 M CA 1.177 56.470 55.300 -0.013 0.000 1.131 276 M CB -0.128 32.456 32.600 -0.027 0.000 1.368 276 M HN -0.141 nan 8.290 nan 0.000 0.416 277 K N 0.510 120.891 120.400 -0.032 0.000 2.057 277 K HA -0.063 4.257 4.320 -0.000 0.000 0.207 277 K C 1.913 178.494 176.600 -0.032 0.000 1.049 277 K CA 1.356 57.605 56.287 -0.063 0.000 0.931 277 K CB -0.228 32.198 32.500 -0.124 0.000 0.714 277 K HN 0.233 nan 8.250 nan 0.000 0.440 278 R N -0.488 120.012 120.500 -0.001 0.000 2.148 278 R HA -0.010 4.330 4.340 -0.000 0.000 0.227 278 R C 2.068 178.363 176.300 -0.008 0.000 1.103 278 R CA 1.166 57.267 56.100 0.001 0.000 0.983 278 R CB -0.180 30.130 30.300 0.017 0.000 0.874 278 R HN 0.178 nan 8.270 nan 0.000 0.451 279 A N 0.936 123.750 122.820 -0.010 0.000 1.887 279 A HA -0.095 4.225 4.320 -0.000 0.000 0.212 279 A C 2.025 179.598 177.584 -0.019 0.000 1.198 279 A CA 0.553 52.582 52.037 -0.013 0.000 0.628 279 A CB -0.228 18.766 19.000 -0.011 0.000 0.847 279 A HN 0.257 nan 8.150 nan 0.000 0.449 280 E N 0.126 120.311 120.200 -0.025 0.000 2.085 280 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 280 E C 1.942 178.523 176.600 -0.031 0.000 0.994 280 E CA 1.591 57.973 56.400 -0.029 0.000 0.801 280 E CB -0.149 29.528 29.700 -0.038 0.000 0.743 280 E HN 0.737 nan 8.360 nan 0.000 0.453 281 E N -0.193 119.987 120.200 -0.034 0.000 2.072 281 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 281 E C 1.867 178.449 176.600 -0.029 0.000 0.985 281 E CA 0.929 57.308 56.400 -0.035 0.000 0.801 281 E CB -0.147 29.531 29.700 -0.038 0.000 0.750 281 E HN 0.303 nan 8.360 nan 0.000 0.452 282 A N 0.505 123.311 122.820 -0.024 0.000 2.172 282 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 282 A C 1.850 179.421 177.584 -0.020 0.000 1.154 282 A CA 1.384 53.408 52.037 -0.021 0.000 0.701 282 A CB -0.316 18.674 19.000 -0.016 0.000 0.789 282 A HN 0.244 nan 8.150 nan 0.000 0.465 283 E N 0.295 120.483 120.200 -0.021 0.000 2.076 283 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 283 E C 2.169 178.757 176.600 -0.020 0.000 0.979 283 E CA 1.083 57.471 56.400 -0.019 0.000 0.807 283 E CB -0.122 29.567 29.700 -0.018 0.000 0.761 283 E HN 0.636 nan 8.360 nan 0.000 0.454 284 R N 0.096 120.582 120.500 -0.023 0.000 2.073 284 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 284 R C 2.573 178.859 176.300 -0.024 0.000 1.134 284 R CA 1.467 57.553 56.100 -0.024 0.000 0.952 284 R CB -0.749 29.534 30.300 -0.028 0.000 0.850 284 R HN 0.199 nan 8.270 nan 0.000 0.433 285 L N 1.336 122.543 121.223 -0.028 0.000 2.042 285 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 285 L C 2.791 179.646 176.870 -0.024 0.000 1.076 285 L CA 1.599 56.421 54.840 -0.030 0.000 0.749 285 L CB -0.235 41.805 42.059 -0.032 0.000 0.893 285 L HN 0.118 nan 8.230 nan 0.000 0.432 286 R N -0.142 120.345 120.500 -0.021 0.000 2.091 286 R HA -0.215 4.125 4.340 -0.000 0.000 0.238 286 R C 2.272 178.562 176.300 -0.016 0.000 1.136 286 R CA 1.867 57.957 56.100 -0.017 0.000 0.959 286 R CB -0.198 30.093 30.300 -0.015 0.000 0.856 286 R HN 0.372 nan 8.270 nan 0.000 0.437 287 K N -0.568 119.822 120.400 -0.016 0.000 2.057 287 K HA -0.067 4.253 4.320 -0.000 0.000 0.206 287 K C 2.099 178.691 176.600 -0.013 0.000 1.050 287 K CA 1.928 58.207 56.287 -0.014 0.000 0.935 287 K CB -0.086 32.407 32.500 -0.013 0.000 0.715 287 K HN 0.225 nan 8.250 nan 0.000 0.439 288 T N 1.098 115.643 114.554 -0.015 0.000 2.708 288 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 288 T C 1.851 176.543 174.700 -0.013 0.000 1.037 288 T CA 1.369 63.461 62.100 -0.013 0.000 1.146 288 T CB -0.118 68.739 68.868 -0.018 0.000 0.865 288 T HN 0.249 nan 8.240 nan 0.000 0.435 289 R N 0.652 121.142 120.500 -0.016 0.000 2.070 289 R HA 0.062 4.402 4.340 -0.000 0.000 0.233 289 R C 2.490 178.781 176.300 -0.016 0.000 1.137 289 R CA 1.144 57.234 56.100 -0.017 0.000 0.945 289 R CB -0.754 29.535 30.300 -0.019 0.000 0.845 289 R HN 0.262 nan 8.270 nan 0.000 0.430 290 L N 0.530 121.744 121.223 -0.015 0.000 2.131 290 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 290 L C 2.386 179.248 176.870 -0.013 0.000 1.092 290 L CA 1.218 56.050 54.840 -0.014 0.000 0.759 290 L CB -0.296 41.756 42.059 -0.013 0.000 0.903 290 L HN 0.302 nan 8.230 nan 0.000 0.435 291 A N -0.869 121.944 122.820 -0.011 0.000 1.902 291 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 291 A C 2.066 179.644 177.584 -0.010 0.000 1.181 291 A CA 1.447 53.479 52.037 -0.009 0.000 0.623 291 A CB -0.362 18.634 19.000 -0.007 0.000 0.818 291 A HN 0.562 nan 8.150 nan 0.000 0.443 292 Q N -1.019 118.774 119.800 -0.011 0.000 1.858 292 Q HA -0.106 4.234 4.340 -0.000 0.000 0.224 292 Q C 2.130 178.116 176.000 -0.023 0.000 0.980 292 Q CA 1.435 57.230 55.803 -0.013 0.000 0.868 292 Q CB -0.435 28.295 28.738 -0.012 0.000 0.920 292 Q HN 0.628 nan 8.270 nan 0.000 0.427 293 I N 0.042 120.595 120.570 -0.028 0.000 2.060 293 I HA -0.018 4.152 4.170 -0.000 0.000 0.233 293 I C 0.493 176.594 176.117 -0.027 0.000 1.054 293 I CA 2.199 63.478 61.300 -0.036 0.000 1.318 293 I CB -0.901 37.078 38.000 -0.035 0.000 1.054 293 I HN 0.478 nan 8.210 nan 0.000 0.395 294 G N 0.502 109.289 108.800 -0.021 0.000 3.413 294 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.556 294 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.556 294 G C 0.523 175.413 174.900 -0.017 0.000 0.870 294 G CA 0.337 45.426 45.100 -0.017 0.000 0.729 294 G HN 0.571 nan 8.290 nan 0.000 0.428 295 T N 1.680 116.226 114.554 -0.013 0.000 2.969 295 T HA -0.015 4.335 4.350 -0.000 0.000 0.271 295 T C 2.353 177.046 174.700 -0.012 0.000 1.127 295 T CA 1.676 63.770 62.100 -0.011 0.000 1.102 295 T CB -0.035 68.827 68.868 -0.009 0.000 0.855 295 T HN 1.520 nan 8.240 nan 0.000 0.536 296 G N 2.195 110.987 108.800 -0.013 0.000 3.229 296 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.214 296 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.214 296 G C 0.705 175.595 174.900 -0.017 0.000 1.256 296 G CA -0.191 44.901 45.100 -0.014 0.000 1.042 296 G HN 0.586 nan 8.290 nan 0.000 0.497 297 E N -0.307 119.882 120.200 -0.018 0.000 2.365 297 E HA 0.129 4.479 4.350 -0.000 0.000 0.188 297 E C 1.765 178.354 176.600 -0.019 0.000 1.102 297 E CA -0.460 55.928 56.400 -0.021 0.000 0.927 297 E CB -0.080 29.607 29.700 -0.021 0.000 1.073 297 E HN 0.375 nan 8.360 nan 0.000 0.467 298 R N 0.603 121.092 120.500 -0.017 0.000 2.133 298 R HA -0.074 4.266 4.340 -0.000 0.000 0.247 298 R C -0.251 176.037 176.300 -0.020 0.000 1.151 298 R CA 1.491 57.582 56.100 -0.015 0.000 0.971 298 R CB 0.056 30.349 30.300 -0.013 0.000 0.866 298 R HN 0.139 nan 8.270 nan 0.000 0.447 299 S N -1.680 114.004 115.700 -0.027 0.000 2.240 299 S HA 0.095 4.565 4.470 -0.000 0.000 0.281 299 S C -1.292 173.280 174.600 -0.047 0.000 0.842 299 S CA -0.238 57.941 58.200 -0.035 0.000 0.942 299 S CB 1.070 64.251 63.200 -0.032 0.000 1.241 299 S HN 0.495 nan 8.310 nan 0.000 0.407 300 E N 1.586 121.748 120.200 -0.063 0.000 1.828 300 E HA 0.100 4.450 4.350 -0.000 0.000 0.253 300 E C -0.584 175.936 176.600 -0.133 0.000 1.065 300 E CA -0.377 55.965 56.400 -0.097 0.000 1.718 300 E CB -0.597 29.060 29.700 -0.072 0.000 3.776 300 E HN 0.364 nan 8.360 nan 0.000 0.951 301 K N 2.708 123.056 120.400 -0.086 0.000 2.527 301 K HA 0.203 4.523 4.320 -0.000 0.000 0.278 301 K C 0.360 176.922 176.600 -0.063 0.000 0.981 301 K CA 0.686 56.929 56.287 -0.074 0.000 1.009 301 K CB 0.099 32.567 32.500 -0.053 0.000 0.895 301 K HN 0.197 nan 8.250 nan 0.000 0.493 302 I N -0.849 119.703 120.570 -0.030 0.000 9.134 302 I HA -0.389 3.781 4.170 -0.000 0.000 0.127 302 I C 0.657 176.859 176.117 0.142 0.000 1.824 302 I CA 0.818 62.174 61.300 0.094 0.000 2.098 302 I CB -0.977 37.123 38.000 0.167 0.000 3.884 302 I HN 0.908 nan 8.210 nan 0.000 0.188 303 R N 0.878 121.547 120.500 0.282 0.000 2.640 303 R HA 0.307 4.647 4.340 -0.000 0.000 0.270 303 R C -0.417 175.975 176.300 0.153 0.000 1.024 303 R CA 0.064 56.296 56.100 0.221 0.000 1.085 303 R CB -0.206 30.072 30.300 -0.037 0.000 0.963 303 R HN 0.564 nan 8.270 nan 0.000 0.426 304 T N 4.130 118.792 114.554 0.180 0.000 2.811 304 T HA 0.155 4.505 4.350 -0.000 0.000 0.309 304 T C -0.769 173.908 174.700 -0.037 0.000 1.005 304 T CA -0.296 61.873 62.100 0.115 0.000 0.955 304 T CB -0.170 68.806 68.868 0.180 0.000 0.970 304 T HN 0.366 nan 8.240 nan 0.000 0.496 305 Y N 3.479 123.782 120.300 0.005 0.000 2.587 305 Y HA 0.269 4.819 4.550 -0.000 0.000 0.344 305 Y C 0.997 176.731 175.900 -0.276 0.000 1.061 305 Y CA -0.431 57.633 58.100 -0.061 0.000 1.370 305 Y CB 0.273 38.787 38.460 0.090 0.000 1.163 305 Y HN 0.442 nan 8.280 nan 0.000 0.527 306 N N 3.740 122.374 118.700 -0.111 0.000 2.399 306 N HA 0.283 5.023 4.740 -0.000 0.000 0.284 306 N C -0.464 175.052 175.510 0.011 0.000 1.025 306 N CA -0.593 52.370 53.050 -0.144 0.000 0.885 306 N CB 0.665 39.118 38.487 -0.057 0.000 1.339 306 N HN 0.498 nan 8.380 nan 0.000 0.487 307 F N 2.531 122.529 119.950 0.080 0.000 2.274 307 F HA 0.224 4.751 4.527 -0.000 0.000 0.288 307 F C -0.526 175.306 175.800 0.053 0.000 1.069 307 F CA -0.190 57.855 58.000 0.075 0.000 1.343 307 F CB -0.695 38.354 39.000 0.081 0.000 1.089 307 F HN 0.392 nan 8.300 nan 0.000 0.517 308 P HA -0.231 nan 4.420 nan 0.000 0.214 308 P C 0.740 178.105 177.300 0.107 0.000 1.172 308 P CA 1.828 65.006 63.100 0.131 0.000 0.925 308 P CB -0.092 31.656 31.700 0.080 0.000 0.793 309 Q N -1.280 118.573 119.800 0.088 0.000 2.365 309 Q HA 0.198 4.538 4.340 -0.000 0.000 0.203 309 Q C 0.021 176.087 176.000 0.111 0.000 0.929 309 Q CA 0.150 56.002 55.803 0.082 0.000 0.948 309 Q CB -0.300 28.468 28.738 0.051 0.000 1.043 309 Q HN 0.045 nan 8.270 nan 0.000 0.505 310 S N 1.176 116.962 115.700 0.142 0.000 3.312 310 S HA -0.252 4.218 4.470 -0.000 0.000 0.423 310 S C -0.457 174.207 174.600 0.105 0.000 0.840 310 S CA 0.595 58.897 58.200 0.170 0.000 1.357 310 S CB -0.591 62.705 63.200 0.159 0.000 0.969 310 S HN 0.578 nan 8.310 nan 0.000 0.641 311 R N 2.768 123.294 120.500 0.043 0.000 3.190 311 R HA 0.398 4.738 4.340 -0.000 0.000 0.244 311 R C -0.431 175.804 176.300 -0.108 0.000 1.788 311 R CA -0.071 55.963 56.100 -0.110 0.000 1.160 311 R CB 0.567 30.753 30.300 -0.190 0.000 1.494 311 R HN 0.567 nan 8.270 nan 0.000 0.499 312 V N 0.265 120.122 119.914 -0.095 0.000 2.732 312 V HA 0.798 4.918 4.120 -0.000 0.000 0.297 312 V C -0.171 175.801 176.094 -0.203 0.000 1.060 312 V CA -0.044 62.148 62.300 -0.180 0.000 1.038 312 V CB 1.596 33.286 31.823 -0.220 0.000 1.003 312 V HN 0.682 nan 8.190 nan 0.000 0.481 313 T N 1.862 116.288 114.554 -0.213 0.000 3.705 313 T HA 0.202 4.552 4.350 -0.000 0.000 0.342 313 T C -1.358 173.282 174.700 -0.100 0.000 1.043 313 T CA -0.506 61.488 62.100 -0.175 0.000 1.071 313 T CB 1.093 69.788 68.868 -0.288 0.000 1.124 313 T HN 1.082 nan 8.240 nan 0.000 0.467 314 D N 2.536 122.955 120.400 0.032 0.000 2.343 314 D HA 0.221 4.861 4.640 -0.000 0.000 0.255 314 D C 0.897 177.259 176.300 0.103 0.000 1.187 314 D CA 0.024 54.100 54.000 0.127 0.000 0.875 314 D CB 1.013 41.881 40.800 0.113 0.000 1.136 314 D HN 0.677 nan 8.370 nan 0.000 0.469 315 H N 2.405 121.498 119.070 0.038 0.000 2.547 315 H HA 0.067 4.623 4.556 -0.000 0.000 0.272 315 H C 1.694 177.045 175.328 0.037 0.000 0.989 315 H CA 0.400 56.466 56.048 0.030 0.000 1.214 315 H CB 0.099 29.873 29.762 0.019 0.000 1.389 315 H HN 0.376 nan 8.280 nan 0.000 0.577 316 R N 1.125 121.724 120.500 0.164 0.000 2.261 316 R HA -0.103 4.237 4.340 -0.000 0.000 0.236 316 R C 1.033 177.378 176.300 0.074 0.000 1.141 316 R CA 1.711 57.876 56.100 0.107 0.000 1.001 316 R CB 0.044 30.401 30.300 0.097 0.000 0.866 316 R HN 0.501 nan 8.270 nan 0.000 0.468 317 I N -7.350 113.262 120.570 0.070 0.000 5.061 317 I HA 0.338 4.508 4.170 -0.000 0.000 0.336 317 I C 0.898 177.043 176.117 0.046 0.000 1.247 317 I CA 1.210 62.539 61.300 0.050 0.000 1.418 317 I CB 0.622 38.643 38.000 0.035 0.000 1.467 317 I HN 0.162 nan 8.210 nan 0.000 0.510 318 G N 1.824 110.651 108.800 0.044 0.000 2.260 318 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.179 318 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.179 318 G C 0.008 174.900 174.900 -0.014 0.000 1.002 318 G CA 0.024 45.118 45.100 -0.009 0.000 0.677 318 G HN 0.410 nan 8.290 nan 0.000 0.486 319 F N 2.186 122.082 119.950 -0.091 0.000 2.586 319 F HA 0.543 5.070 4.527 -0.000 0.000 0.344 319 F C 0.601 176.323 175.800 -0.131 0.000 1.188 319 F CA 1.698 59.643 58.000 -0.092 0.000 1.359 319 F CB 1.213 40.167 39.000 -0.077 0.000 1.129 319 F HN 0.238 nan 8.300 nan 0.000 0.609 320 T N 3.013 116.834 114.554 -1.222 0.000 2.840 320 T HA 0.509 4.859 4.350 -0.000 0.000 0.317 320 T C -1.157 172.939 174.700 -1.008 0.000 1.401 320 T CA -0.269 61.328 62.100 -0.837 0.000 1.028 320 T CB 1.423 69.989 68.868 -0.503 0.000 1.317 320 T HN 0.966 nan 8.240 nan 0.000 0.495 321 T N 0.575 114.797 114.554 -0.553 0.000 2.827 321 T HA 0.460 4.810 4.350 -0.000 0.000 0.328 321 T C -0.577 173.957 174.700 -0.277 0.000 1.598 321 T CA -0.352 61.558 62.100 -0.316 0.000 1.043 321 T CB 1.232 70.058 68.868 -0.069 0.000 1.447 321 T HN 0.762 nan 8.240 nan 0.000 0.491 322 H N 0.270 119.310 119.070 -0.050 0.000 2.639 322 H HA 0.207 4.763 4.556 -0.000 0.000 0.267 322 H C 0.628 175.974 175.328 0.030 0.000 0.958 322 H CA 0.285 56.326 56.048 -0.010 0.000 1.221 322 H CB 0.252 30.004 29.762 -0.016 0.000 1.446 322 H HN 0.552 nan 8.280 nan 0.000 0.512 323 D N 3.211 123.702 120.400 0.150 0.000 2.483 323 D HA -0.103 4.537 4.640 -0.000 0.000 0.261 323 D C 1.091 177.466 176.300 0.124 0.000 1.318 323 D CA 0.007 54.078 54.000 0.118 0.000 1.201 323 D CB 0.714 41.574 40.800 0.100 0.000 1.127 323 D HN 0.199 nan 8.370 nan 0.000 0.519 324 L N 1.461 122.768 121.223 0.139 0.000 1.988 324 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 324 L C 2.376 179.336 176.870 0.149 0.000 1.071 324 L CA 1.693 56.640 54.840 0.179 0.000 0.744 324 L CB -1.040 41.150 42.059 0.218 0.000 0.893 324 L HN 0.407 nan 8.230 nan 0.000 0.433 325 E N -0.855 119.405 120.200 0.101 0.000 2.160 325 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 325 E C 2.002 178.669 176.600 0.111 0.000 0.991 325 E CA 1.109 57.556 56.400 0.079 0.000 0.810 325 E CB -0.100 29.629 29.700 0.048 0.000 0.742 325 E HN 0.548 nan 8.360 nan 0.000 0.466 326 G N 0.520 109.390 108.800 0.117 0.000 2.433 326 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 326 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 326 G C 1.630 176.667 174.900 0.229 0.000 1.186 326 G CA 1.012 46.205 45.100 0.154 0.000 0.779 326 G HN 0.241 nan 8.290 nan 0.000 0.543 327 V N 0.972 120.983 119.914 0.161 0.000 2.453 327 V HA 0.015 4.135 4.120 -0.000 0.000 0.247 327 V C 2.677 178.815 176.094 0.072 0.000 1.048 327 V CA 0.873 63.244 62.300 0.119 0.000 1.049 327 V CB -0.323 31.558 31.823 0.097 0.000 0.672 327 V HN 0.312 nan 8.190 nan 0.000 0.457 328 L N 0.035 121.318 121.223 0.100 0.000 2.642 328 L HA -0.067 4.272 4.340 -0.000 0.000 0.236 328 L C 1.846 178.733 176.870 0.028 0.000 1.169 328 L CA 0.778 55.653 54.840 0.058 0.000 0.851 328 L CB -0.346 41.767 42.059 0.091 0.000 0.968 328 L HN 0.320 nan 8.230 nan 0.000 0.453 329 S N -1.099 114.635 115.700 0.056 0.000 2.526 329 S HA 0.275 4.745 4.470 -0.000 0.000 0.220 329 S C 1.099 175.652 174.600 -0.079 0.000 1.017 329 S CA 0.535 58.755 58.200 0.033 0.000 0.930 329 S CB 1.239 64.521 63.200 0.137 0.000 0.856 329 S HN 0.522 nan 8.310 nan 0.000 0.497 330 G N 1.904 110.655 108.800 -0.082 0.000 2.337 330 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.134 330 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.134 330 G C -0.216 174.619 174.900 -0.108 0.000 1.052 330 G CA -0.549 44.519 45.100 -0.053 0.000 0.737 330 G HN 0.531 nan 8.290 nan 0.000 0.485 331 H N 0.173 119.339 119.070 0.159 0.000 2.467 331 H HA 0.182 4.738 4.556 -0.000 0.000 0.275 331 H C 2.043 177.443 175.328 0.120 0.000 1.131 331 H CA 0.253 56.394 56.048 0.155 0.000 0.989 331 H CB 0.082 29.900 29.762 0.092 0.000 1.696 331 H HN 0.605 nan 8.280 nan 0.000 0.574 332 L N -1.634 119.669 121.223 0.133 0.000 2.713 332 L HA 0.167 4.507 4.340 -0.000 0.000 0.245 332 L C 1.172 178.054 176.870 0.019 0.000 1.169 332 L CA 0.037 54.870 54.840 -0.011 0.000 0.962 332 L CB -0.543 41.387 42.059 -0.215 0.000 1.161 332 L HN -0.145 nan 8.230 nan 0.000 0.427 333 T N 0.843 115.505 114.554 0.180 0.000 2.746 333 T HA -0.038 4.312 4.350 -0.000 0.000 0.267 333 T C -0.276 174.436 174.700 0.019 0.000 1.039 333 T CA 1.501 63.698 62.100 0.162 0.000 1.142 333 T CB -0.995 67.980 68.868 0.178 0.000 0.866 333 T HN 0.454 nan 8.240 nan 0.000 0.444 334 P HA 0.031 nan 4.420 nan 0.000 0.218 334 P C 1.546 178.683 177.300 -0.271 0.000 1.149 334 P CA 0.933 63.993 63.100 -0.067 0.000 0.817 334 P CB -0.228 31.488 31.700 0.025 0.000 0.785 335 I N -0.603 119.783 120.570 -0.307 0.000 2.142 335 I HA -0.220 3.950 4.170 -0.000 0.000 0.240 335 I C 2.715 178.572 176.117 -0.433 0.000 1.078 335 I CA 1.254 62.222 61.300 -0.553 0.000 1.343 335 I CB -0.808 37.012 38.000 -0.300 0.000 1.046 335 I HN -0.154 nan 8.210 nan 0.000 0.405 336 L N 0.471 121.533 121.223 -0.269 0.000 2.012 336 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 336 L C 2.527 179.218 176.870 -0.298 0.000 1.073 336 L CA 1.655 56.339 54.840 -0.260 0.000 0.748 336 L CB -0.670 41.309 42.059 -0.132 0.000 0.891 336 L HN 0.279 nan 8.230 nan 0.000 0.431 337 E N -0.153 119.922 120.200 -0.209 0.000 2.265 337 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 337 E C 2.185 178.654 176.600 -0.219 0.000 0.996 337 E CA 0.911 57.207 56.400 -0.174 0.000 0.832 337 E CB -0.090 29.552 29.700 -0.097 0.000 0.756 337 E HN 0.527 nan 8.360 nan 0.000 0.491 338 A N 0.961 123.593 122.820 -0.314 0.000 1.854 338 A HA -0.138 4.182 4.320 -0.000 0.000 0.214 338 A C 2.079 179.491 177.584 -0.287 0.000 1.192 338 A CA 0.902 52.741 52.037 -0.330 0.000 0.611 338 A CB -0.481 18.142 19.000 -0.628 0.000 0.832 338 A HN 0.091 nan 8.150 nan 0.000 0.442 339 L N -0.051 120.956 121.223 -0.360 0.000 2.079 339 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 339 L C 2.394 179.023 176.870 -0.400 0.000 1.081 339 L CA 2.144 56.773 54.840 -0.351 0.000 0.752 339 L CB -0.564 41.231 42.059 -0.441 0.000 0.896 339 L HN 0.375 nan 8.230 nan 0.000 0.433 340 K N -0.593 119.532 120.400 -0.459 0.000 2.032 340 K HA -0.230 4.090 4.320 -0.000 0.000 0.209 340 K C 2.380 178.877 176.600 -0.171 0.000 1.048 340 K CA 1.434 57.517 56.287 -0.340 0.000 0.927 340 K CB -0.123 32.228 32.500 -0.249 0.000 0.712 340 K HN 0.164 nan 8.250 nan 0.000 0.441 341 R N 0.355 120.766 120.500 -0.148 0.000 2.080 341 R HA -0.174 4.166 4.340 -0.000 0.000 0.236 341 R C 2.117 178.373 176.300 -0.073 0.000 1.137 341 R CA 1.694 57.741 56.100 -0.088 0.000 0.943 341 R CB -0.420 29.834 30.300 -0.077 0.000 0.846 341 R HN 0.226 nan 8.270 nan 0.000 0.431 342 A N 1.005 123.774 122.820 -0.085 0.000 1.883 342 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 342 A C 1.822 179.385 177.584 -0.034 0.000 1.186 342 A CA 2.026 54.032 52.037 -0.052 0.000 0.624 342 A CB -0.784 18.186 19.000 -0.049 0.000 0.822 342 A HN 0.497 nan 8.150 nan 0.000 0.444 343 D N -0.935 119.440 120.400 -0.042 0.000 2.263 343 D HA -0.109 4.531 4.640 -0.000 0.000 0.208 343 D C 2.221 178.527 176.300 0.010 0.000 0.971 343 D CA 0.820 54.825 54.000 0.008 0.000 0.867 343 D CB -0.015 40.819 40.800 0.057 0.000 0.929 343 D HN 0.407 nan 8.370 nan 0.000 0.492 344 Q N 0.555 120.348 119.800 -0.012 0.000 1.921 344 Q HA -0.169 4.171 4.340 -0.000 0.000 0.208 344 Q C 2.077 178.073 176.000 -0.006 0.000 0.994 344 Q CA 1.415 57.214 55.803 -0.006 0.000 0.857 344 Q CB -0.770 27.956 28.738 -0.020 0.000 0.925 344 Q HN 0.565 nan 8.270 nan 0.000 0.421 345 E N 1.027 121.216 120.200 -0.018 0.000 2.347 345 E HA -0.165 4.185 4.350 -0.000 0.000 0.196 345 E C 1.911 178.506 176.600 -0.008 0.000 1.008 345 E CA 0.605 56.994 56.400 -0.018 0.000 0.852 345 E CB -0.252 29.429 29.700 -0.031 0.000 0.783 345 E HN 0.269 nan 8.360 nan 0.000 0.505 346 R N 0.496 120.994 120.500 -0.002 0.000 2.083 346 R HA -0.150 4.190 4.340 -0.000 0.000 0.237 346 R C 2.189 178.495 176.300 0.010 0.000 1.137 346 R CA 1.747 57.851 56.100 0.006 0.000 0.951 346 R CB 0.056 30.364 30.300 0.014 0.000 0.851 346 R HN 0.146 nan 8.270 nan 0.000 0.434 347 Q N 0.197 120.006 119.800 0.014 0.000 2.163 347 Q HA -0.080 4.260 4.340 -0.000 0.000 0.198 347 Q C 2.110 178.117 176.000 0.012 0.000 0.954 347 Q CA 0.637 56.450 55.803 0.017 0.000 0.851 347 Q CB -0.187 28.566 28.738 0.025 0.000 0.928 347 Q HN 0.280 nan 8.270 nan 0.000 0.459 348 L N 1.005 122.233 121.223 0.008 0.000 2.005 348 L HA 0.002 4.342 4.340 -0.000 0.000 0.207 348 L C 2.179 179.047 176.870 -0.003 0.000 1.072 348 L CA 2.093 56.936 54.840 0.005 0.000 0.744 348 L CB -0.917 41.143 42.059 0.001 0.000 0.895 348 L HN 0.103 nan 8.230 nan 0.000 0.433 349 A N -0.437 122.378 122.820 -0.008 0.000 1.978 349 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 349 A C 2.397 179.977 177.584 -0.007 0.000 1.170 349 A CA 1.890 53.920 52.037 -0.011 0.000 0.636 349 A CB -1.123 17.870 19.000 -0.011 0.000 0.810 349 A HN 0.611 nan 8.150 nan 0.000 0.448 350 A N -0.935 121.884 122.820 -0.002 0.000 1.929 350 A HA 0.125 4.445 4.320 -0.000 0.000 0.216 350 A C 2.075 179.658 177.584 -0.002 0.000 1.176 350 A CA 1.268 53.305 52.037 -0.000 0.000 0.628 350 A CB -0.373 18.629 19.000 0.004 0.000 0.816 350 A HN 0.403 nan 8.150 nan 0.000 0.444 351 L N -0.259 120.964 121.223 0.000 0.000 1.988 351 L HA 0.018 4.358 4.340 -0.000 0.000 0.207 351 L C 1.991 178.855 176.870 -0.010 0.000 1.071 351 L CA 2.029 56.869 54.840 0.000 0.000 0.744 351 L CB -1.312 40.754 42.059 0.010 0.000 0.893 351 L HN 0.359 nan 8.230 nan 0.000 0.433 352 A N -0.496 122.314 122.820 -0.016 0.000 3.077 352 A HA 0.211 4.531 4.320 -0.000 0.000 0.255 352 A C 1.044 178.611 177.584 -0.027 0.000 1.728 352 A CA 0.346 52.364 52.037 -0.031 0.000 1.383 352 A CB -0.359 18.617 19.000 -0.040 0.000 1.097 352 A HN 0.631 nan 8.150 nan 0.000 0.634 353 E N -0.283 119.904 120.200 -0.022 0.000 3.258 353 E HA 0.399 4.749 4.350 -0.000 0.000 0.283 353 E C 0.493 177.084 176.600 -0.014 0.000 1.171 353 E CA 0.531 56.921 56.400 -0.016 0.000 1.987 353 E CB 0.098 29.792 29.700 -0.010 0.000 2.022 353 E HN 0.836 nan 8.360 nan 0.000 0.978 354 G N 0.000 108.794 108.800 -0.010 0.000 5.446 354 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 354 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 354 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 354 G HN 0.000 nan 8.290 nan 0.000 0.925