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 3ms0_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 -0.042 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 0.794 122.003 121.223 -0.023 0.000 2.083 2 L HA -0.223 4.116 4.340 -0.000 0.000 0.209 2 L C 1.446 178.312 176.870 -0.007 0.000 1.083 2 L CA 1.657 56.491 54.840 -0.009 0.000 0.752 2 L CB -0.290 41.767 42.059 -0.003 0.000 0.899 2 L HN 0.381 nan 8.230 nan 0.000 0.433 3 D N -0.084 120.310 120.400 -0.010 0.000 2.149 3 D HA -0.181 4.459 4.640 -0.000 0.000 0.198 3 D C 2.089 178.385 176.300 -0.006 0.000 0.990 3 D CA 1.058 55.053 54.000 -0.008 0.000 0.839 3 D CB 0.031 40.826 40.800 -0.009 0.000 0.948 3 D HN 0.227 nan 8.370 nan 0.000 0.460 4 K N 0.461 120.854 120.400 -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 0.194 56.474 56.287 -0.011 0.000 0.952 4 K CB -0.408 32.078 32.500 -0.024 0.000 0.736 4 K HN 0.294 nan 8.250 nan 0.000 0.453 5 L N 1.012 122.240 121.223 0.008 0.000 2.109 5 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 5 L C 1.614 178.515 176.870 0.052 0.000 1.086 5 L CA 1.082 55.945 54.840 0.038 0.000 0.760 5 L CB -0.493 41.587 42.059 0.036 0.000 0.910 5 L HN 0.042 nan 8.230 nan 0.000 0.437 6 D N -0.204 120.209 120.400 0.023 0.000 2.123 6 D HA -0.107 4.533 4.640 -0.000 0.000 0.200 6 D C 2.351 178.663 176.300 0.020 0.000 0.976 6 D CA 0.694 54.701 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 0.715 121.225 120.500 0.016 0.000 2.148 7 R HA -0.008 4.332 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 0.216 56.324 56.100 0.013 0.000 0.983 7 R CB -0.597 29.705 30.300 0.003 0.000 0.874 7 R HN 0.304 nan 8.270 nan 0.000 0.451 8 L N 0.411 121.657 121.223 0.039 0.000 2.341 8 L HA 0.013 4.353 4.340 -0.000 0.000 0.214 8 L C 2.059 179.030 176.870 0.168 0.000 1.115 8 L CA 1.155 56.026 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 0.214 120.526 120.200 0.187 0.000 2.153 9 E HA -0.310 4.040 4.350 -0.000 0.000 0.194 9 E C 1.946 178.651 176.600 0.175 0.000 0.988 9 E CA 1.240 57.777 56.400 0.228 0.000 0.811 9 E CB -0.004 29.691 29.700 -0.008 0.000 0.746 9 E HN 0.667 nan 8.360 nan 0.000 0.466 10 E N 0.248 120.501 120.200 0.088 0.000 2.110 10 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 10 E C 1.704 178.332 176.600 0.048 0.000 0.988 10 E CA 0.856 57.285 56.400 0.050 0.000 0.804 10 E CB 0.146 29.858 29.700 0.020 0.000 0.745 10 E HN 0.235 nan 8.360 nan 0.000 0.458 11 E N -0.221 120.000 120.200 0.036 0.000 2.268 11 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 11 E C 1.680 178.227 176.600 -0.089 0.000 0.995 11 E CA 0.612 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 -0.254 4.296 4.550 -0.000 0.000 0.277 12 Y C 2.611 178.450 175.900 -0.102 0.000 1.143 12 Y CA 1.940 59.975 58.100 -0.109 0.000 1.115 12 Y CB -0.110 38.311 38.460 -0.066 0.000 0.975 12 Y HN -0.029 nan 8.280 nan 0.000 0.487 13 R N -0.446 120.126 120.500 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 1.287 57.417 56.100 0.050 0.000 0.966 13 R CB -0.701 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 0.653 120.852 120.200 -0.002 0.000 2.219 14 E HA -0.146 4.204 4.350 -0.000 0.000 0.198 14 E C 1.571 178.147 176.600 -0.040 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 0.279 121.447 121.223 -0.092 0.000 2.007 15 L HA -0.155 4.185 4.340 -0.000 0.000 0.205 15 L C 2.184 179.026 176.870 -0.045 0.000 1.073 15 L CA 1.872 56.625 54.840 -0.145 0.000 0.744 15 L CB -0.407 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 -0.464 119.719 120.200 -0.028 0.000 2.502 16 E HA -0.029 4.321 4.350 -0.000 0.000 0.194 16 E C 1.574 178.200 176.600 0.042 0.000 1.062 16 E CA 0.634 57.061 56.400 0.045 0.000 0.867 16 E CB 0.136 29.871 29.700 0.058 0.000 0.888 16 E HN 0.437 nan 8.360 nan 0.000 0.510 17 A N 1.827 124.662 122.820 0.024 0.000 1.862 17 A HA 0.128 4.448 4.320 -0.000 0.000 0.211 17 A C 1.919 179.521 177.584 0.030 0.000 1.220 17 A CA 0.235 52.287 52.037 0.025 0.000 0.616 17 A CB -0.358 18.652 19.000 0.016 0.000 0.878 17 A HN 0.236 nan 8.150 nan 0.000 0.453 18 L N 0.033 121.272 121.223 0.027 0.000 2.718 18 L HA 0.266 4.606 4.340 -0.000 0.000 0.242 18 L C 1.271 178.176 176.870 0.057 0.000 1.203 18 L CA 0.167 55.028 54.840 0.035 0.000 1.011 18 L CB -0.068 42.006 42.059 0.024 0.000 1.250 18 L HN 0.499 nan 8.230 nan 0.000 0.437 19 L N -2.906 118.358 121.223 0.068 0.000 3.195 19 L HA 0.115 4.455 4.340 -0.000 0.000 0.290 19 L C 1.925 178.847 176.870 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 -0.310 115.430 115.700 0.067 0.000 2.470 20 S HA -0.052 4.418 4.470 -0.000 0.000 0.225 20 S C 0.578 175.203 174.600 0.041 0.000 1.006 20 S CA 0.127 58.359 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 0.461 nan 8.310 nan 0.000 0.517 21 D N 2.287 122.711 120.400 0.040 0.000 2.451 21 D HA 0.107 4.747 4.640 -0.000 0.000 0.254 21 D C -1.929 174.388 176.300 0.029 0.000 1.204 21 D CA -1.575 52.444 54.000 0.031 0.000 0.896 21 D CB 1.234 42.053 40.800 0.031 0.000 1.136 21 D HN 0.154 nan 8.370 nan 0.000 0.499 22 P HA -0.057 nan 4.420 nan 0.000 0.236 22 P C 0.262 177.569 177.300 0.013 0.000 1.172 22 P CA 0.637 63.746 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 -1.453 118.757 120.200 0.017 0.000 2.372 23 E HA 0.054 4.404 4.350 -0.000 0.000 0.201 23 E C 1.711 178.323 176.600 0.019 0.000 0.938 23 E CA 0.241 56.650 56.400 0.015 0.000 0.944 23 E CB -0.726 28.983 29.700 0.015 0.000 0.937 23 E HN 0.078 nan 8.360 nan 0.000 0.495 24 V N 1.568 121.500 119.914 0.029 0.000 3.041 24 V HA -0.067 4.053 4.120 -0.000 0.000 0.260 24 V C 1.945 178.064 176.094 0.042 0.000 1.105 24 V CA 0.697 63.023 62.300 0.042 0.000 1.125 24 V CB -0.406 31.452 31.823 0.058 0.000 0.730 24 V HN 0.170 nan 8.190 nan 0.000 0.479 25 L N -0.462 120.774 121.223 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 1.147 55.980 54.840 -0.012 0.000 0.782 25 L CB -0.519 41.528 42.059 -0.021 0.000 0.914 25 L HN 0.255 nan 8.230 nan 0.000 0.441 26 K N -0.330 120.065 120.400 -0.007 0.000 2.167 26 K HA 0.004 4.324 4.320 -0.000 0.000 0.203 26 K C 0.181 176.781 176.600 0.000 0.000 1.052 26 K CA 0.611 56.893 56.287 -0.009 0.000 0.956 26 K CB -0.092 32.407 32.500 -0.001 0.000 0.735 26 K HN 0.133 nan 8.250 nan 0.000 0.451 27 D N 1.192 121.603 120.400 0.019 0.000 2.365 27 D HA 0.044 4.684 4.640 -0.000 0.000 0.237 27 D C 0.575 176.913 176.300 0.063 0.000 1.190 27 D CA -0.059 53.964 54.000 0.037 0.000 0.867 27 D CB 1.334 42.162 40.800 0.045 0.000 1.050 27 D HN -0.134 nan 8.370 nan 0.000 0.491 28 K N 1.523 121.956 120.400 0.054 0.000 2.228 28 K HA -0.019 4.301 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 0.240 56.583 56.287 0.093 0.000 0.960 28 K CB -0.182 32.345 32.500 0.045 0.000 0.743 28 K HN 0.438 nan 8.250 nan 0.000 0.458 29 G N 1.510 110.377 108.800 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 0.436 45.590 45.100 0.090 0.000 0.783 29 G HN 0.224 nan 8.290 nan 0.000 0.537 30 R N -0.233 120.319 120.500 0.086 0.000 2.237 30 R HA -0.045 4.295 4.340 -0.000 0.000 0.219 30 R C 1.985 178.339 176.300 0.091 0.000 1.080 30 R CA 0.879 57.020 56.100 0.069 0.000 0.995 30 R CB -0.865 29.472 30.300 0.061 0.000 0.875 30 R HN 0.539 nan 8.270 nan 0.000 0.462 31 Y N 0.153 120.465 120.300 0.019 0.000 2.184 31 Y HA -0.120 4.430 4.550 -0.000 0.000 0.290 31 Y C 2.088 178.004 175.900 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 -0.209 119.438 119.800 -0.255 0.000 2.291 32 Q HA -0.130 4.210 4.340 -0.000 0.000 0.205 32 Q C 2.033 177.902 176.000 -0.217 0.000 0.970 32 Q CA 1.513 57.109 55.803 -0.344 0.000 0.876 32 Q CB -0.085 28.610 28.738 -0.072 0.000 0.935 32 Q HN 0.528 nan 8.270 nan 0.000 0.455 33 S N 0.098 115.725 115.700 -0.122 0.000 2.387 33 S HA -0.067 4.403 4.470 -0.000 0.000 0.226 33 S C 1.537 176.088 174.600 -0.081 0.000 1.026 33 S CA 0.711 58.868 58.200 -0.072 0.000 0.972 33 S CB 0.044 63.225 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 0.097 4.437 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 -0.569 41.478 42.059 -0.020 0.000 0.959 34 L HN 0.341 nan 8.230 nan 0.000 0.457 35 S N -0.974 114.607 115.700 -0.198 0.000 2.423 35 S HA -0.117 4.353 4.470 -0.000 0.000 0.231 35 S C 2.113 176.673 174.600 -0.067 0.000 1.014 35 S CA 0.438 58.532 58.200 -0.178 0.000 0.965 35 S CB -0.229 62.699 63.200 -0.452 0.000 0.785 35 S HN 0.281 nan 8.310 nan 0.000 0.495 36 R N 1.613 122.067 120.500 -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 0.970 57.053 56.100 -0.027 0.000 0.967 36 R CB -0.692 29.591 30.300 -0.029 0.000 0.862 36 R HN 0.504 nan 8.270 nan 0.000 0.436 37 R N -0.587 119.896 120.500 -0.028 0.000 2.152 37 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 37 R C 1.971 178.232 176.300 -0.064 0.000 1.117 37 R CA 1.043 57.111 56.100 -0.053 0.000 0.981 37 R CB -0.218 30.039 30.300 -0.072 0.000 0.870 37 R HN 0.297 nan 8.270 nan 0.000 0.451 38 Y N 0.412 120.644 120.300 -0.113 0.000 2.286 38 Y HA -0.129 4.421 4.550 -0.000 0.000 0.293 38 Y C 2.391 178.196 175.900 -0.158 0.000 1.124 38 Y CA 0.772 58.799 58.100 -0.121 0.000 1.178 38 Y CB 0.103 38.508 38.460 -0.091 0.000 1.010 38 Y HN 0.082 nan 8.280 nan 0.000 0.536 39 A N 0.192 123.044 122.820 0.053 0.000 1.972 39 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 39 A C 1.914 179.202 177.584 -0.492 0.000 1.169 39 A CA 2.002 53.968 52.037 -0.119 0.000 0.635 39 A CB -0.482 18.527 19.000 0.016 0.000 0.810 39 A HN 0.591 nan 8.150 nan 0.000 0.446 40 E N -0.994 119.021 120.200 -0.308 0.000 2.021 40 E HA -0.114 4.236 4.350 -0.000 0.000 0.189 40 E C 2.121 178.572 176.600 -0.249 0.000 0.980 40 E CA 1.094 57.306 56.400 -0.314 0.000 0.803 40 E CB -0.273 29.349 29.700 -0.130 0.000 0.766 40 E HN 0.424 nan 8.360 nan 0.000 0.449 41 M N 0.475 119.949 119.600 -0.210 0.000 2.066 41 M HA -0.088 4.392 4.480 -0.000 0.000 0.259 41 M C 2.600 178.774 176.300 -0.210 0.000 1.074 41 M CA 1.781 56.930 55.300 -0.252 0.000 1.114 41 M CB -1.715 30.659 32.600 -0.377 0.000 1.306 41 M HN 0.269 nan 8.290 nan 0.000 0.411 42 G N -0.501 108.233 108.800 -0.111 0.000 2.503 42 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.221 42 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.221 42 G C 1.454 176.335 174.900 -0.031 0.000 1.131 42 G CA 1.451 46.556 45.100 0.009 0.000 0.756 42 G HN 0.438 nan 8.290 nan 0.000 0.572 43 E N -0.383 119.768 120.200 -0.082 0.000 2.045 43 E HA 0.083 4.433 4.350 -0.000 0.000 0.190 43 E C 2.831 179.417 176.600 -0.024 0.000 0.968 43 E CA 0.389 56.761 56.400 -0.047 0.000 0.813 43 E CB -0.632 29.025 29.700 -0.072 0.000 0.780 43 E HN 0.175 nan 8.360 nan 0.000 0.455 44 V N 1.344 121.220 119.914 -0.063 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 1.395 63.684 62.300 -0.019 0.000 1.049 44 V CB -0.470 31.329 31.823 -0.040 0.000 0.662 44 V HN 0.254 nan 8.190 nan 0.000 0.455 45 I N 0.811 121.343 120.570 -0.064 0.000 2.286 45 I HA -0.171 3.998 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 1.683 62.951 61.300 -0.053 0.000 1.392 45 I CB -0.841 37.039 38.000 -0.200 0.000 1.065 45 I HN 0.424 nan 8.210 nan 0.000 0.418 46 G N 0.874 109.684 108.800 0.017 0.000 2.422 46 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.218 46 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.218 46 G C 1.677 176.622 174.900 0.076 0.000 1.140 46 G CA 0.385 45.514 45.100 0.047 0.000 0.775 46 G HN 0.275 nan 8.290 nan 0.000 0.545 47 L N 0.745 122.023 121.223 0.091 0.000 2.095 47 L HA 0.109 4.449 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 0.758 55.693 54.840 0.159 0.000 0.759 47 L CB -0.503 41.655 42.059 0.164 0.000 0.914 47 L HN 0.340 nan 8.230 nan 0.000 0.439 48 I N -1.923 118.749 120.570 0.169 0.000 2.454 48 I HA -0.244 3.926 4.170 -0.000 0.000 0.254 48 I C 2.642 178.875 176.117 0.192 0.000 1.156 48 I CA 1.346 62.734 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 1.030 121.620 120.500 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 0.845 57.017 56.100 0.121 0.000 0.990 49 R CB 0.039 30.397 30.300 0.097 0.000 0.889 49 R HN 0.418 nan 8.270 nan 0.000 0.452 50 E N -0.060 120.212 120.200 0.121 0.000 2.051 50 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 50 E C 1.814 178.417 176.600 0.006 0.000 0.991 50 E CA 1.423 57.844 56.400 0.034 0.000 0.799 50 E CB -0.475 29.211 29.700 -0.024 0.000 0.748 50 E HN 0.488 nan 8.360 nan 0.000 0.449 51 Y N 1.226 121.536 120.300 0.018 0.000 2.224 51 Y HA -0.134 4.416 4.550 -0.000 0.000 0.289 51 Y C 2.688 178.597 175.900 0.015 0.000 1.146 51 Y CA 1.225 59.335 58.100 0.016 0.000 1.182 51 Y CB -0.200 38.270 38.460 0.016 0.000 0.983 51 Y HN -0.019 nan 8.280 nan 0.000 0.524 52 R N 0.557 121.164 120.500 0.180 0.000 2.097 52 R HA -0.214 4.126 4.340 -0.000 0.000 0.236 52 R C 2.167 178.506 176.300 0.066 0.000 1.135 52 R CA 2.090 58.253 56.100 0.104 0.000 0.934 52 R CB -0.350 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 0.157 120.586 120.400 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 1.442 57.745 56.287 0.026 0.000 0.929 53 K CB -0.245 32.264 32.500 0.016 0.000 0.713 53 K HN 0.013 nan 8.250 nan 0.000 0.439 54 V N 2.319 122.234 119.914 0.002 0.000 2.469 54 V HA -0.245 3.875 4.120 -0.000 0.000 0.251 54 V C 2.278 178.378 176.094 0.010 0.000 1.064 54 V CA 1.498 63.788 62.300 -0.017 0.000 1.066 54 V CB -0.514 31.263 31.823 -0.076 0.000 0.667 54 V HN 0.268 nan 8.190 nan 0.000 0.461 55 L N 0.356 121.604 121.223 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 57.359 54.840 0.052 0.000 0.759 55 L CB -0.817 41.287 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 1.570 57.982 56.400 0.020 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 1.028 121.435 120.400 0.011 0.000 2.178 57 D HA -0.083 4.557 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 0.771 54.773 54.000 0.005 0.000 0.841 57 D CB -0.118 40.682 40.800 0.000 0.000 0.953 57 D HN 0.253 nan 8.370 nan 0.000 0.478 58 L N 0.538 121.764 121.223 0.006 0.000 1.961 58 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 58 L C 2.360 179.235 176.870 0.007 0.000 1.072 58 L CA 1.356 56.199 54.840 0.006 0.000 0.749 58 L CB -0.334 41.731 42.059 0.010 0.000 0.889 58 L HN -0.085 nan 8.230 nan 0.000 0.432 59 E N -0.339 119.868 120.200 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 57.289 56.400 0.009 0.000 0.801 59 E CB -0.134 29.573 29.700 0.011 0.000 0.750 59 E HN 0.311 nan 8.360 nan 0.000 0.452 60 Q N -0.314 119.490 119.800 0.007 0.000 2.291 60 Q HA 0.051 4.391 4.340 -0.000 0.000 0.205 60 Q C 1.580 177.582 176.000 0.003 0.000 0.970 60 Q CA 1.339 57.144 55.803 0.005 0.000 0.876 60 Q CB 0.030 28.772 28.738 0.005 0.000 0.935 60 Q HN 0.322 nan 8.270 nan 0.000 0.455 61 A N -0.680 122.142 122.820 0.003 0.000 2.267 61 A HA 0.046 4.366 4.320 -0.000 0.000 0.213 61 A C 1.424 179.008 177.584 0.001 0.000 1.192 61 A CA 0.110 52.148 52.037 0.001 0.000 0.851 61 A CB 0.145 19.145 19.000 0.000 0.000 0.881 61 A HN 0.256 nan 8.150 nan 0.000 0.494 62 E N 0.035 120.236 120.200 0.002 0.000 2.004 62 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 62 E C 1.490 178.091 176.600 0.001 0.000 0.985 62 E CA 1.249 57.650 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 0.911 116.612 115.700 0.002 0.000 2.660 63 S HA 0.035 4.505 4.470 -0.000 0.000 0.228 63 S C 0.668 175.268 174.600 0.001 0.000 0.966 63 S CA -0.060 58.141 58.200 0.001 0.000 0.940 63 S CB -0.224 62.977 63.200 0.001 0.000 0.773 63 S HN 0.166 nan 8.310 nan 0.000 0.535 64 L N 2.956 124.180 121.223 0.001 0.000 2.565 64 L HA 0.043 4.383 4.340 -0.000 0.000 0.275 64 L C 0.776 177.646 176.870 -0.000 0.000 1.137 64 L CA 0.053 54.893 54.840 0.000 0.000 0.915 64 L CB 0.258 42.317 42.059 0.001 0.000 1.232 64 L HN 0.216 nan 8.230 nan 0.000 0.473 65 L N 3.801 125.024 121.223 -0.000 0.000 4.988 65 L HA -0.363 3.977 4.340 -0.000 0.000 0.439 65 L C 0.624 177.493 176.870 -0.001 0.000 1.080 65 L CA 1.772 56.612 54.840 -0.000 0.000 1.018 65 L CB -1.164 40.895 42.059 -0.000 0.000 1.945 65 L HN 0.929 nan 8.230 nan 0.000 0.782 66 D N -1.067 119.333 120.400 -0.001 0.000 3.046 66 D HA -0.168 4.472 4.640 -0.000 0.000 0.210 66 D C 0.228 176.527 176.300 -0.001 0.000 1.124 66 D CA 1.388 55.387 54.000 -0.001 0.000 0.986 66 D CB -1.322 39.477 40.800 -0.001 0.000 1.118 66 D HN 0.662 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 -0.789 175.510 176.300 -0.001 0.000 1.134 67 D CA -1.047 52.952 54.000 -0.001 0.000 0.881 67 D CB 0.777 41.577 40.800 -0.001 0.000 1.191 67 D HN 0.114 nan 8.370 nan 0.000 0.445 68 P HA -0.105 nan 4.420 nan 0.000 0.222 68 P C 0.945 178.244 177.300 -0.002 0.000 1.153 68 P CA 0.834 63.933 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 -0.262 119.937 120.200 -0.002 0.000 2.152 69 E HA -0.087 4.263 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 0.614 57.013 56.400 -0.002 0.000 0.818 69 E CB -0.750 28.949 29.700 -0.002 0.000 0.758 69 E HN 0.108 nan 8.360 nan 0.000 0.467 70 L N 1.043 122.265 121.223 -0.002 0.000 2.209 70 L HA 0.042 4.382 4.340 -0.000 0.000 0.207 70 L C 2.196 179.065 176.870 -0.002 0.000 1.094 70 L CA 1.258 56.097 54.840 -0.002 0.000 0.790 70 L CB -0.499 41.559 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 -0.152 4.168 4.320 -0.000 0.000 0.203 71 K C 1.767 178.365 176.600 -0.002 0.000 1.050 71 K CA 0.920 57.206 56.287 -0.002 0.000 0.945 71 K CB 0.117 32.616 32.500 -0.001 0.000 0.732 71 K HN 0.380 nan 8.250 nan 0.000 0.451 72 E N 0.394 120.592 120.200 -0.003 0.000 2.208 72 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 72 E C 1.853 178.451 176.600 -0.004 0.000 0.988 72 E CA 0.791 57.189 56.400 -0.003 0.000 0.828 72 E CB 0.048 29.746 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 -0.039 4.441 4.480 -0.000 0.000 0.265 73 M C 2.401 178.698 176.300 -0.006 0.000 1.066 73 M CA 1.115 56.413 55.300 -0.005 0.000 1.127 73 M CB -0.024 32.574 32.600 -0.004 0.000 1.379 73 M HN 0.082 nan 8.290 nan 0.000 0.420 74 A N 0.257 123.074 122.820 -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 1.352 53.385 52.037 -0.005 0.000 0.670 74 A CB -0.516 18.482 19.000 -0.003 0.000 0.804 74 A HN 0.440 nan 8.150 nan 0.000 0.453 75 K N -0.145 120.252 120.400 -0.006 0.000 2.155 75 K HA 0.034 4.354 4.320 -0.000 0.000 0.203 75 K C 2.037 178.632 176.600 -0.009 0.000 1.052 75 K CA 0.944 57.227 56.287 -0.006 0.000 0.948 75 K CB -0.253 32.244 32.500 -0.005 0.000 0.728 75 K HN 0.346 nan 8.250 nan 0.000 0.448 76 A N 1.350 124.165 122.820 -0.009 0.000 1.972 76 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 76 A C 1.698 179.273 177.584 -0.016 0.000 1.169 76 A CA 1.482 53.513 52.037 -0.011 0.000 0.635 76 A CB -0.327 18.667 19.000 -0.010 0.000 0.810 76 A HN 0.444 nan 8.150 nan 0.000 0.446 77 E N -0.885 119.305 120.200 -0.017 0.000 2.208 77 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 77 E C 2.217 178.799 176.600 -0.031 0.000 0.988 77 E CA 0.802 57.187 56.400 -0.026 0.000 0.828 77 E CB -0.112 29.573 29.700 -0.024 0.000 0.763 77 E HN 0.639 nan 8.360 nan 0.000 0.478 78 R N 1.378 121.865 120.500 -0.021 0.000 2.066 78 R HA -0.173 4.167 4.340 -0.000 0.000 0.232 78 R C 1.752 178.040 176.300 -0.020 0.000 1.131 78 R CA 1.575 57.663 56.100 -0.019 0.000 0.955 78 R CB 0.097 30.391 30.300 -0.010 0.000 0.851 78 R HN -0.006 nan 8.270 nan 0.000 0.432 79 E N 0.237 120.427 120.200 -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 1.437 57.828 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 0.481 123.285 122.820 -0.027 0.000 1.972 80 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 80 A C 2.089 179.643 177.584 -0.050 0.000 1.169 80 A CA 1.035 53.051 52.037 -0.034 0.000 0.635 80 A CB -0.426 18.553 19.000 -0.035 0.000 0.810 80 A HN 0.271 nan 8.150 nan 0.000 0.446 81 L N -0.992 120.196 121.223 -0.058 0.000 2.131 81 L HA 0.012 4.352 4.340 -0.000 0.000 0.206 81 L C 2.115 178.950 176.870 -0.059 0.000 1.087 81 L CA 1.527 56.315 54.840 -0.087 0.000 0.767 81 L CB -0.538 41.467 42.059 -0.089 0.000 0.917 81 L HN 0.314 nan 8.230 nan 0.000 0.441 82 L N 0.220 121.424 121.223 -0.031 0.000 2.012 82 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 82 L C 2.402 179.266 176.870 -0.009 0.000 1.073 82 L CA 2.277 57.109 54.840 -0.013 0.000 0.748 82 L CB -1.055 41.000 42.059 -0.007 0.000 0.891 82 L HN 0.279 nan 8.230 nan 0.000 0.431 83 A N -1.175 121.637 122.820 -0.014 0.000 2.067 83 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 83 A C 2.445 180.021 177.584 -0.013 0.000 1.156 83 A CA 1.030 53.062 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 0.733 121.213 120.500 -0.033 0.000 2.060 84 R HA -0.127 4.213 4.340 -0.000 0.000 0.225 84 R C 2.327 178.605 176.300 -0.036 0.000 1.155 84 R CA 1.779 57.849 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 0.585 nan 8.270 nan 0.000 0.433 85 K N -0.103 120.262 120.400 -0.059 0.000 2.147 85 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 85 K C 1.770 178.427 176.600 0.096 0.000 1.049 85 K CA 1.300 57.611 56.287 0.041 0.000 0.936 85 K CB -0.128 32.407 32.500 0.058 0.000 0.722 85 K HN 0.116 nan 8.250 nan 0.000 0.446 86 E N 1.054 121.283 120.200 0.048 0.000 2.110 86 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 86 E C 2.077 178.703 176.600 0.042 0.000 0.988 86 E CA 1.392 57.817 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 0.854 123.695 122.820 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 0.783 52.841 52.037 0.034 0.000 0.620 87 A CB -0.617 18.397 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 2.371 179.316 176.870 0.125 0.000 1.103 88 L CA 0.900 55.813 54.840 0.121 0.000 0.769 88 L CB -0.524 41.648 42.059 0.190 0.000 0.908 88 L HN 0.355 nan 8.230 nan 0.000 0.438 89 E N 0.602 120.869 120.200 0.112 0.000 2.204 89 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 89 E C 1.956 178.586 176.600 0.050 0.000 0.989 89 E CA 1.028 57.474 56.400 0.075 0.000 0.824 89 E CB 0.083 29.820 29.700 0.062 0.000 0.756 89 E HN 0.516 nan 8.360 nan 0.000 0.477 90 K N 0.319 120.748 120.400 0.048 0.000 2.323 90 K HA 0.010 4.330 4.320 -0.000 0.000 0.197 90 K C 1.658 178.276 176.600 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 32.858 32.500 0.028 0.000 0.807 90 K HN -0.031 nan 8.250 nan 0.000 0.497 91 E N 0.984 121.212 120.200 0.047 0.000 2.274 91 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 91 E C 1.875 178.525 176.600 0.084 0.000 0.996 91 E CA 0.559 56.992 56.400 0.055 0.000 0.840 91 E CB -0.036 29.710 29.700 0.077 0.000 0.772 91 E HN 0.175 nan 8.360 nan 0.000 0.491 92 L N 1.365 122.634 121.223 0.075 0.000 2.007 92 L HA -0.103 4.237 4.340 -0.000 0.000 0.205 92 L C 2.239 179.145 176.870 0.060 0.000 1.073 92 L CA 1.658 56.541 54.840 0.071 0.000 0.744 92 L CB -0.167 41.916 42.059 0.041 0.000 0.898 92 L HN -0.101 nan 8.230 nan 0.000 0.435 93 E N -0.575 119.648 120.200 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 0.016 0.000 1.046 93 E CA 0.495 56.913 56.400 0.030 0.000 0.871 93 E CB -0.108 29.608 29.700 0.027 0.000 0.806 93 E HN 0.361 nan 8.360 nan 0.000 0.533 94 R N -0.486 120.014 120.500 -0.000 0.000 2.082 94 R HA -0.148 4.192 4.340 -0.000 0.000 0.228 94 R C 1.754 177.979 176.300 -0.126 0.000 1.140 94 R CA 1.840 57.886 56.100 -0.090 0.000 0.920 94 R CB -0.397 29.806 30.300 -0.161 0.000 0.828 94 R HN 0.389 nan 8.270 nan 0.000 0.430 95 H N 0.487 119.564 119.070 0.012 0.000 2.546 95 H HA -0.063 4.493 4.556 -0.000 0.000 0.277 95 H C 1.743 177.074 175.328 0.005 0.000 1.004 95 H CA 0.671 56.724 56.048 0.008 0.000 1.231 95 H CB 0.212 29.977 29.762 0.006 0.000 1.382 95 H HN 0.263 nan 8.280 nan 0.000 0.580 96 L N 0.782 122.062 121.223 0.095 0.000 2.418 96 L HA 0.041 4.380 4.340 -0.000 0.000 0.218 96 L C 0.678 177.569 176.870 0.036 0.000 1.125 96 L CA 0.853 55.728 54.840 0.057 0.000 0.835 96 L CB -0.095 41.990 42.059 0.045 0.000 0.953 96 L HN 0.177 nan 8.230 nan 0.000 0.454 97 L N 2.800 124.036 121.223 0.022 0.000 3.047 97 L HA 0.284 4.624 4.340 -0.000 0.000 0.242 97 L C -2.163 174.710 176.870 0.005 0.000 1.315 97 L CA -1.163 53.685 54.840 0.013 0.000 1.042 97 L CB 0.390 42.454 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 -0.192 177.116 177.300 0.013 0.000 1.294 98 P CA -0.116 62.992 63.100 0.013 0.000 0.776 98 P CB 1.212 32.930 31.700 0.030 0.000 0.889 99 K N -0.259 120.147 120.400 0.009 0.000 3.407 99 K HA -0.138 4.182 4.320 -0.000 0.000 0.312 99 K C -0.386 176.220 176.600 0.011 0.000 1.302 99 K CA 0.951 57.244 56.287 0.010 0.000 0.931 99 K CB -1.616 30.890 32.500 0.010 0.000 1.257 99 K HN 0.509 nan 8.250 nan 0.000 0.454 100 D N 1.923 122.330 120.400 0.013 0.000 2.264 100 D HA 0.159 4.799 4.640 -0.000 0.000 0.250 100 D C -2.078 174.233 176.300 0.018 0.000 1.113 100 D CA -1.543 52.466 54.000 0.016 0.000 0.871 100 D CB 0.748 41.559 40.800 0.018 0.000 1.167 100 D HN -0.006 nan 8.370 nan 0.000 0.447 101 P HA 0.218 nan 4.420 nan 0.000 0.274 101 P C -0.767 176.555 177.300 0.038 0.000 1.470 101 P CA -0.420 62.696 63.100 0.026 0.000 1.001 101 P CB 0.310 32.024 31.700 0.024 0.000 1.332 102 M N 2.369 121.992 119.600 0.039 0.000 2.288 102 M HA 0.313 4.793 4.480 -0.000 0.000 0.334 102 M C 0.170 176.513 176.300 0.072 0.000 1.150 102 M CA 0.373 55.704 55.300 0.052 0.000 1.118 102 M CB 0.689 33.315 32.600 0.043 0.000 1.501 102 M HN 0.117 nan 8.290 nan 0.000 0.462 103 D N 1.063 121.528 120.400 0.109 0.000 2.593 103 D HA 0.203 4.843 4.640 -0.000 0.000 0.251 103 D C 0.035 176.430 176.300 0.158 0.000 1.140 103 D CA -0.272 53.815 54.000 0.144 0.000 0.855 103 D CB 1.129 42.062 40.800 0.222 0.000 1.267 103 D HN 0.721 nan 8.370 nan 0.000 0.532 104 E N 0.699 120.974 120.200 0.126 0.000 2.476 104 E HA 0.115 4.465 4.350 -0.000 0.000 0.196 104 E C -0.127 176.563 176.600 0.150 0.000 1.029 104 E CA -0.397 56.086 56.400 0.138 0.000 0.896 104 E CB 0.438 30.204 29.700 0.109 0.000 1.012 104 E HN 0.177 nan 8.360 nan 0.000 0.475 105 R N 2.011 122.589 120.500 0.131 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 -0.369 55.790 56.100 0.098 0.000 1.065 105 R CB 0.155 30.476 30.300 0.036 0.000 0.964 105 R HN 0.116 nan 8.270 nan 0.000 0.428 106 D N 1.061 121.537 120.400 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 0.553 54.644 54.000 0.151 0.000 0.873 106 D CB 0.870 41.753 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 0.828 5.148 4.320 -0.000 0.000 0.278 107 A C -0.552 177.061 177.584 0.048 0.000 1.228 107 A CA -0.696 51.380 52.037 0.064 0.000 0.857 107 A CB 1.127 20.219 19.000 0.154 0.000 1.389 107 A HN 0.518 nan 8.150 nan 0.000 0.452 108 I N -0.219 120.348 120.570 -0.006 0.000 2.689 108 I HA 0.520 4.690 4.170 -0.000 0.000 0.299 108 I C -1.250 174.828 176.117 -0.066 0.000 1.059 108 I CA -0.989 60.308 61.300 -0.005 0.000 1.055 108 I CB 2.259 40.254 38.000 -0.009 0.000 1.243 108 I HN 0.243 nan 8.210 nan 0.000 0.425 109 V N 3.973 123.847 119.914 -0.067 0.000 2.409 109 V HA 0.263 4.383 4.120 -0.000 0.000 0.290 109 V C -0.461 175.602 176.094 -0.051 0.000 1.017 109 V CA -0.679 61.493 62.300 -0.215 0.000 0.841 109 V CB 1.395 32.806 31.823 -0.687 0.000 1.003 109 V HN 0.690 nan 8.190 nan 0.000 0.426 110 E N 4.912 125.078 120.200 -0.057 0.000 1.963 110 E HA 0.395 4.745 4.350 -0.000 0.000 0.274 110 E C -0.878 175.715 176.600 -0.011 0.000 1.061 110 E CA -0.478 55.919 56.400 -0.005 0.000 0.847 110 E CB 0.980 30.674 29.700 -0.010 0.000 1.083 110 E HN 0.524 nan 8.360 nan 0.000 0.402 111 I N 3.405 123.994 120.570 0.033 0.000 2.371 111 I HA 0.204 4.374 4.170 -0.000 0.000 0.290 111 I C 0.326 176.488 176.117 0.076 0.000 1.028 111 I CA 0.113 61.446 61.300 0.055 0.000 1.345 111 I CB 0.541 38.615 38.000 0.124 0.000 1.407 111 I HN 0.276 nan 8.210 nan 0.000 0.501 112 R N 3.968 124.512 120.500 0.075 0.000 2.808 112 R HA 0.857 5.197 4.340 -0.000 0.000 0.272 112 R C -0.572 175.785 176.300 0.094 0.000 0.995 112 R CA -1.087 55.059 56.100 0.076 0.000 0.917 112 R CB 1.529 31.857 30.300 0.046 0.000 1.217 112 R HN 0.661 nan 8.270 nan 0.000 0.471 113 A N 0.558 123.432 122.820 0.090 0.000 2.325 113 A HA 0.668 4.988 4.320 -0.000 0.000 0.260 113 A C 0.392 178.020 177.584 0.074 0.000 1.133 113 A CA 0.631 52.725 52.037 0.094 0.000 0.801 113 A CB -0.011 19.034 19.000 0.075 0.000 1.092 113 A HN 0.788 nan 8.150 nan 0.000 0.504 114 G N -1.909 106.931 108.800 0.068 0.000 3.039 114 G HA2 0.513 4.473 3.960 -0.000 0.000 0.202 114 G HA3 0.513 4.473 3.960 -0.000 0.000 0.202 114 G C 0.043 174.956 174.900 0.022 0.000 1.151 114 G CA 0.435 45.560 45.100 0.040 0.000 0.836 114 G HN 0.857 nan 8.290 nan 0.000 0.598 115 T N -0.249 114.309 114.554 0.008 0.000 2.652 115 T HA 0.367 4.717 4.350 -0.000 0.000 0.345 115 T C 1.792 176.488 174.700 -0.006 0.000 1.051 115 T CA 1.704 63.803 62.100 -0.002 0.000 1.021 115 T CB -0.105 68.758 68.868 -0.009 0.000 1.141 115 T HN 2.132 nan 8.240 nan 0.000 0.518 116 G N -0.673 108.117 108.800 -0.017 0.000 2.257 116 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.267 116 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.267 116 G C 1.089 175.969 174.900 -0.034 0.000 0.984 116 G CA 0.783 45.863 45.100 -0.034 0.000 0.626 116 G HN 1.835 nan 8.290 nan 0.000 0.540 117 G N 0.044 108.837 108.800 -0.012 0.000 2.596 117 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.304 117 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.304 117 G C 0.940 175.841 174.900 0.002 0.000 1.189 117 G CA 1.240 46.336 45.100 -0.007 0.000 0.986 117 G HN 0.927 nan 8.290 nan 0.000 0.548 118 E N 0.505 120.700 120.200 -0.008 0.000 2.136 118 E HA -0.234 4.116 4.350 -0.000 0.000 0.202 118 E C 2.327 178.935 176.600 0.013 0.000 1.019 118 E CA 2.162 58.562 56.400 -0.000 0.000 0.819 118 E CB -0.322 29.371 29.700 -0.011 0.000 0.739 118 E HN 0.625 nan 8.360 nan 0.000 0.458 119 E N 0.922 121.124 120.200 0.005 0.000 2.023 119 E HA -0.156 4.194 4.350 -0.000 0.000 0.196 119 E C 1.863 178.510 176.600 0.078 0.000 1.003 119 E CA 1.920 58.339 56.400 0.031 0.000 0.809 119 E CB -0.513 29.187 29.700 0.001 0.000 0.755 119 E HN 0.168 nan 8.360 nan 0.000 0.449 120 A N 0.526 123.385 122.820 0.065 0.000 2.070 120 A HA 0.053 4.373 4.320 -0.000 0.000 0.220 120 A C 2.363 180.034 177.584 0.145 0.000 1.159 120 A CA 1.795 53.906 52.037 0.124 0.000 0.656 120 A CB -0.867 18.180 19.000 0.079 0.000 0.800 120 A HN 0.435 nan 8.150 nan 0.000 0.453 121 A N -0.183 122.688 122.820 0.086 0.000 1.930 121 A HA 0.013 4.333 4.320 -0.000 0.000 0.217 121 A C 2.107 179.715 177.584 0.039 0.000 1.175 121 A CA 1.401 53.475 52.037 0.062 0.000 0.627 121 A CB -0.432 18.587 19.000 0.032 0.000 0.815 121 A HN 0.480 nan 8.150 nan 0.000 0.443 122 L N -2.409 118.849 121.223 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 1.087 55.952 54.840 0.041 0.000 0.759 122 L CB -0.552 41.543 42.059 0.060 0.000 0.914 122 L HN 0.446 nan 8.230 nan 0.000 0.439 123 F N 1.263 121.224 119.950 0.019 0.000 2.250 123 F HA -0.240 4.287 4.527 -0.000 0.000 0.301 123 F C 2.280 178.092 175.800 0.019 0.000 1.077 123 F CA 0.926 58.936 58.000 0.017 0.000 1.348 123 F CB -0.174 38.823 39.000 -0.004 0.000 1.040 123 F HN 0.009 nan 8.300 nan 0.000 0.509 124 A N 1.443 124.282 122.820 0.031 0.000 1.855 124 A HA -0.186 4.134 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 1.632 53.679 52.037 0.016 0.000 0.613 124 A CB -0.825 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 -0.266 120.232 120.500 -0.004 0.000 2.193 125 R HA -0.140 4.200 4.340 -0.000 0.000 0.229 125 R C 0.880 177.252 176.300 0.119 0.000 1.110 125 R CA 1.782 57.901 56.100 0.032 0.000 0.988 125 R CB -0.648 29.514 30.300 -0.229 0.000 0.871 125 R HN 0.343 nan 8.270 nan 0.000 0.458 126 D N 1.467 121.850 120.400 -0.029 0.000 2.117 126 D HA -0.090 4.550 4.640 -0.000 0.000 0.198 126 D C 2.103 178.327 176.300 -0.126 0.000 0.982 126 D CA 1.180 55.130 54.000 -0.084 0.000 0.828 126 D CB -0.197 40.504 40.800 -0.165 0.000 0.967 126 D HN 0.277 nan 8.370 nan 0.000 0.464 127 L N -0.224 120.872 121.223 -0.212 0.000 2.131 127 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 127 L C 2.382 179.397 176.870 0.241 0.000 1.092 127 L CA 0.608 55.390 54.840 -0.097 0.000 0.759 127 L CB -0.488 41.571 42.059 -0.001 0.000 0.903 127 L HN -0.036 nan 8.230 nan 0.000 0.435 128 F N 1.456 121.499 119.950 0.155 0.000 2.046 128 F HA -0.298 4.229 4.527 -0.000 0.000 0.297 128 F C 2.571 178.540 175.800 0.282 0.000 1.123 128 F CA 1.676 59.870 58.000 0.323 0.000 1.199 128 F CB -0.104 39.114 39.000 0.362 0.000 0.972 128 F HN 0.139 nan 8.300 nan 0.000 0.474 129 N N 0.587 119.361 118.700 0.124 0.000 2.149 129 N HA -0.253 4.487 4.740 -0.000 0.000 0.188 129 N C 1.877 177.373 175.510 -0.024 0.000 1.019 129 N CA 1.667 54.708 53.050 -0.015 0.000 0.857 129 N CB -0.569 37.937 38.487 0.031 0.000 0.997 129 N HN 0.466 nan 8.380 nan 0.000 0.426 130 M N 0.130 119.692 119.600 -0.062 0.000 2.126 130 M HA -0.238 4.242 4.480 -0.000 0.000 0.259 130 M C 1.613 177.834 176.300 -0.131 0.000 1.073 130 M CA 1.771 56.959 55.300 -0.187 0.000 1.103 130 M CB -0.301 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 0.535 120.855 120.300 0.034 0.000 2.293 131 Y HA -0.150 4.400 4.550 -0.000 0.000 0.291 131 Y C 2.215 178.257 175.900 0.237 0.000 1.137 131 Y CA 1.147 59.325 58.100 0.130 0.000 1.202 131 Y CB -0.699 37.687 38.460 -0.123 0.000 0.990 131 Y HN 0.279 nan 8.280 nan 0.000 0.537 132 L N -0.286 121.090 121.223 0.255 0.000 1.970 132 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 132 L C 2.585 179.548 176.870 0.155 0.000 1.071 132 L CA 1.665 56.618 54.840 0.189 0.000 0.751 132 L CB -0.416 41.549 42.059 -0.157 0.000 0.889 132 L HN 0.179 nan 8.230 nan 0.000 0.432 133 R N -0.829 119.720 120.500 0.081 0.000 2.080 133 R HA -0.237 4.103 4.340 -0.000 0.000 0.236 133 R C 2.242 178.589 176.300 0.078 0.000 1.137 133 R CA 1.939 58.068 56.100 0.048 0.000 0.943 133 R CB -0.748 29.551 30.300 -0.001 0.000 0.846 133 R HN 0.216 nan 8.270 nan 0.000 0.431 134 F N 1.741 121.672 119.950 -0.031 0.000 2.184 134 F HA -0.304 4.223 4.527 -0.000 0.000 0.301 134 F C 2.047 177.876 175.800 0.047 0.000 1.076 134 F CA 1.269 59.245 58.000 -0.040 0.000 1.295 134 F CB -0.253 38.717 39.000 -0.051 0.000 1.026 134 F HN 0.054 nan 8.300 nan 0.000 0.494 135 A N 1.058 124.013 122.820 0.225 0.000 1.821 135 A HA -0.242 4.078 4.320 -0.000 0.000 0.215 135 A C 1.952 179.606 177.584 0.116 0.000 1.216 135 A CA 1.900 54.075 52.037 0.229 0.000 0.615 135 A CB -1.189 18.064 19.000 0.421 0.000 0.862 135 A HN 0.542 nan 8.150 nan 0.000 0.450 136 E N 0.291 120.555 120.200 0.107 0.000 2.204 136 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 136 E C 1.466 178.053 176.600 -0.022 0.000 0.989 136 E CA 1.252 57.684 56.400 0.053 0.000 0.824 136 E CB -0.413 29.317 29.700 0.049 0.000 0.756 136 E HN 0.611 nan 8.360 nan 0.000 0.477 137 E N -0.006 120.156 120.200 -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 -0.159 0.000 0.990 137 E CA 1.068 57.406 56.400 -0.104 0.000 0.821 137 E CB -0.169 29.449 29.700 -0.136 0.000 0.750 137 E HN 0.339 nan 8.360 nan 0.000 0.477 138 M N -1.033 118.424 119.600 -0.238 0.000 2.541 138 M HA 0.112 4.592 4.480 -0.000 0.000 0.252 138 M C 1.206 177.450 176.300 -0.094 0.000 1.125 138 M CA 1.214 56.380 55.300 -0.224 0.000 1.091 138 M CB 0.545 32.883 32.600 -0.437 0.000 1.420 138 M HN 0.173 nan 8.290 nan 0.000 0.486 139 G N -1.153 107.601 108.800 -0.077 0.000 2.307 139 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.210 139 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.210 139 G C 0.049 174.859 174.900 -0.150 0.000 1.005 139 G CA -0.264 44.741 45.100 -0.159 0.000 0.634 139 G HN 0.340 nan 8.290 nan 0.000 0.496 140 F N 2.514 122.440 119.950 -0.039 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 -0.032 57.988 58.000 0.032 0.000 1.250 140 F CB 0.823 39.870 39.000 0.078 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 0.213 0.000 2.324 141 E HA 0.113 4.463 4.350 -0.000 0.000 0.271 141 E C 0.078 176.796 176.600 0.196 0.000 1.028 141 E CA -0.383 56.109 56.400 0.153 0.000 0.890 141 E CB 0.447 30.204 29.700 0.095 0.000 1.004 141 E HN 0.634 nan 8.360 nan 0.000 0.431 142 T N 1.884 116.535 114.554 0.161 0.000 2.754 142 T HA 0.561 4.910 4.350 -0.000 0.000 0.286 142 T C -0.122 174.616 174.700 0.064 0.000 0.997 142 T CA -0.614 61.583 62.100 0.162 0.000 0.982 142 T CB 0.974 69.912 68.868 0.116 0.000 1.027 142 T HN 0.492 nan 8.240 nan 0.000 0.529 143 E N -0.945 119.235 120.200 -0.033 0.000 2.584 143 E HA 0.417 4.767 4.350 -0.000 0.000 0.295 143 E C -2.125 174.293 176.600 -0.302 0.000 1.109 143 E CA -0.693 55.640 56.400 -0.112 0.000 0.900 143 E CB 1.290 30.970 29.700 -0.033 0.000 1.195 143 E HN 0.789 nan 8.360 nan 0.000 0.433 144 V N 6.017 125.779 119.914 -0.254 0.000 2.555 144 V HA 0.521 4.641 4.120 -0.000 0.000 0.302 144 V C -0.111 175.862 176.094 -0.202 0.000 1.038 144 V CA -0.372 61.743 62.300 -0.308 0.000 0.887 144 V CB 1.388 33.075 31.823 -0.228 0.000 0.991 144 V HN 0.868 nan 8.190 nan 0.000 0.434 145 L N 3.892 124.998 121.223 -0.194 0.000 2.425 145 L HA 0.522 4.862 4.340 -0.000 0.000 0.215 145 L C 0.165 176.933 176.870 -0.169 0.000 1.065 145 L CA 0.449 55.205 54.840 -0.140 0.000 0.842 145 L CB 0.445 42.448 42.059 -0.094 0.000 1.033 145 L HN 0.777 nan 8.230 nan 0.000 0.474 146 D N -0.900 119.361 120.400 -0.232 0.000 2.663 146 D HA 0.387 5.027 4.640 -0.000 0.000 0.233 146 D C -1.309 174.728 176.300 -0.438 0.000 1.240 146 D CA -0.263 53.559 54.000 -0.296 0.000 0.774 146 D CB 1.854 42.523 40.800 -0.219 0.000 1.443 146 D HN -0.061 nan 8.370 nan 0.000 0.441 147 S N 1.686 117.041 115.700 -0.576 0.000 2.543 147 S HA 0.493 4.963 4.470 -0.000 0.000 0.271 147 S C -1.553 172.669 174.600 -0.631 0.000 1.148 147 S CA -0.908 56.865 58.200 -0.711 0.000 0.914 147 S CB 1.397 63.982 63.200 -1.024 0.000 1.096 147 S HN 0.464 nan 8.310 nan 0.000 0.471 148 H N 2.772 121.757 119.070 -0.141 0.000 2.645 148 H HA 0.443 4.999 4.556 -0.000 0.000 0.257 148 H C -2.785 172.626 175.328 0.137 0.000 1.269 148 H CA -1.398 54.650 56.048 -0.000 0.000 1.409 148 H CB 1.389 31.149 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 0.554 177.943 177.300 0.148 0.000 1.269 149 P CA -0.304 62.989 63.100 0.321 0.000 0.787 149 P CB 1.505 33.404 31.700 0.332 0.000 0.920 150 T N 0.990 115.594 114.554 0.083 0.000 2.899 150 T HA 0.040 4.390 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 -0.230 61.895 62.100 0.042 0.000 1.084 150 T CB 0.022 68.902 68.868 0.020 0.000 0.979 150 T HN 0.507 nan 8.240 nan 0.000 0.532 151 D N 2.863 123.275 120.400 0.020 0.000 2.133 151 D HA -0.210 4.430 4.640 -0.000 0.000 0.192 151 D C 1.300 177.601 176.300 0.001 0.000 1.001 151 D CA 1.273 55.282 54.000 0.014 0.000 0.844 151 D CB -0.430 40.377 40.800 0.012 0.000 0.944 151 D HN 0.537 nan 8.370 nan 0.000 0.447 152 L N -0.406 120.812 121.223 -0.008 0.000 2.821 152 L HA 0.550 4.890 4.340 -0.000 0.000 0.239 152 L C 1.060 177.902 176.870 -0.046 0.000 1.391 152 L CA -0.256 54.572 54.840 -0.019 0.000 1.231 152 L CB -0.459 41.592 42.059 -0.012 0.000 1.598 152 L HN 0.294 nan 8.230 nan 0.000 0.428 153 G N -0.690 108.071 108.800 -0.065 0.000 2.806 153 G HA2 0.302 4.262 3.960 -0.000 0.000 0.236 153 G HA3 0.302 4.262 3.960 -0.000 0.000 0.236 153 G C 0.285 175.044 174.900 -0.235 0.000 1.387 153 G CA 0.027 45.038 45.100 -0.148 0.000 0.884 153 G HN 1.952 nan 8.290 nan 0.000 0.560 154 G N -2.258 106.262 108.800 -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 -0.215 174.390 174.900 -0.491 0.000 1.362 154 G CA 0.324 45.119 45.100 -0.508 0.000 0.975 154 G HN 1.634 nan 8.290 nan 0.000 0.594 155 F N 0.901 120.827 119.950 -0.040 0.000 2.483 155 F HA 0.687 5.214 4.527 -0.000 0.000 0.329 155 F C 1.514 177.314 175.800 -0.001 0.000 1.064 155 F CA -0.236 57.736 58.000 -0.048 0.000 0.986 155 F CB 2.146 41.062 39.000 -0.139 0.000 1.218 155 F HN 0.527 nan 8.300 nan 0.000 0.484 156 S N 0.121 115.963 115.700 0.237 0.000 2.458 156 S HA 0.124 4.594 4.470 -0.000 0.000 0.223 156 S C 0.129 174.813 174.600 0.139 0.000 1.019 156 S CA 0.511 58.800 58.200 0.148 0.000 0.937 156 S CB -0.003 63.263 63.200 0.109 0.000 0.788 156 S HN 0.595 nan 8.310 nan 0.000 0.511 157 K N 0.100 120.595 120.400 0.158 0.000 2.587 157 K HA 0.505 4.825 4.320 -0.000 0.000 0.276 157 K C -2.134 174.453 176.600 -0.022 0.000 0.956 157 K CA -0.640 55.704 56.287 0.094 0.000 0.857 157 K CB 2.103 34.669 32.500 0.111 0.000 1.431 157 K HN 0.066 nan 8.250 nan 0.000 0.420 158 V N -0.160 119.729 119.914 -0.041 0.000 2.924 158 V HA 0.530 4.650 4.120 -0.000 0.000 0.300 158 V C -0.502 175.603 176.094 0.019 0.000 1.227 158 V CA -1.101 61.105 62.300 -0.155 0.000 0.954 158 V CB 0.942 32.577 31.823 -0.313 0.000 1.055 158 V HN 0.520 nan 8.190 nan 0.000 0.429 159 V N 0.235 120.131 119.914 -0.031 0.000 3.093 159 V HA 0.856 4.976 4.120 -0.000 0.000 0.320 159 V C -0.850 175.298 176.094 0.091 0.000 1.093 159 V CA -0.743 61.596 62.300 0.064 0.000 1.016 159 V CB 1.945 33.759 31.823 -0.014 0.000 1.096 159 V HN 0.751 nan 8.190 nan 0.000 0.452 160 F N 0.180 120.093 119.950 -0.062 0.000 2.557 160 F HA 0.452 4.979 4.527 -0.000 0.000 0.316 160 F C 0.006 175.778 175.800 -0.048 0.000 1.141 160 F CA -0.474 57.495 58.000 -0.051 0.000 0.922 160 F CB 2.029 40.950 39.000 -0.131 0.000 1.194 160 F HN 0.737 nan 8.300 nan 0.000 0.443 161 E N 4.127 124.365 120.200 0.063 0.000 2.028 161 E HA 0.358 4.708 4.350 -0.000 0.000 0.266 161 E C -1.263 175.425 176.600 0.146 0.000 0.962 161 E CA -0.327 56.119 56.400 0.077 0.000 0.784 161 E CB 0.916 30.630 29.700 0.025 0.000 1.114 161 E HN 0.428 nan 8.360 nan 0.000 0.414 162 V N 5.693 125.721 119.914 0.190 0.000 2.223 162 V HA 0.138 4.258 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 -0.340 62.123 62.300 0.270 0.000 1.131 162 V CB -0.343 31.667 31.823 0.311 0.000 1.298 162 V HN 0.525 nan 8.190 nan 0.000 0.498 163 R N 3.243 123.876 120.500 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 1.094 57.307 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 5.658 114.609 108.800 0.251 0.000 2.760 164 G HA2 -0.024 3.935 3.960 -0.000 0.000 0.540 164 G HA3 -0.024 3.935 3.960 -0.000 0.000 0.540 164 G C -3.036 172.082 174.900 0.363 0.000 1.476 164 G CA -1.073 44.181 45.100 0.257 0.000 0.949 164 G HN 0.481 nan 8.290 nan 0.000 0.633 165 P HA 0.375 nan 4.420 nan 0.000 0.268 165 P C 1.214 178.733 177.300 0.366 0.000 1.205 165 P CA 1.749 64.976 63.100 0.212 0.000 0.771 165 P CB 1.102 32.862 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 -0.306 3.654 3.960 -0.000 0.000 0.256 166 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.256 166 G C 1.094 176.138 174.900 0.239 0.000 0.977 166 G CA 0.565 45.846 45.100 0.302 0.000 0.652 166 G HN 0.705 nan 8.290 nan 0.000 0.531 167 A N -0.220 122.749 122.820 0.248 0.000 1.851 167 A HA 0.004 4.324 4.320 -0.000 0.000 0.216 167 A C 1.968 179.614 177.584 0.103 0.000 1.195 167 A CA 2.341 54.378 52.037 -0.001 0.000 0.622 167 A CB -0.621 18.509 19.000 0.218 0.000 0.831 167 A HN 1.232 nan 8.150 nan 0.000 0.444 168 Y N 1.053 121.392 120.300 0.064 0.000 2.421 168 Y HA 0.043 4.593 4.550 -0.000 0.000 0.292 168 Y C 2.311 178.214 175.900 0.005 0.000 1.136 168 Y CA 0.683 58.813 58.100 0.050 0.000 1.255 168 Y CB -0.662 37.814 38.460 0.027 0.000 0.991 168 Y HN 0.232 nan 8.280 nan 0.000 0.552 169 G N -1.579 107.231 108.800 0.016 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 1.374 176.246 174.900 -0.046 0.000 1.132 169 G CA 1.423 46.502 45.100 -0.035 0.000 0.782 169 G HN 0.518 nan 8.290 nan 0.000 0.538 170 T N -4.362 110.124 114.554 -0.113 0.000 3.115 170 T HA 0.218 4.568 4.350 -0.000 0.000 0.256 170 T C 1.849 176.474 174.700 -0.126 0.000 0.970 170 T CA -0.278 61.756 62.100 -0.111 0.000 1.010 170 T CB -0.311 68.394 68.868 -0.271 0.000 1.151 170 T HN 0.064 nan 8.240 nan 0.000 0.479 171 F N 2.943 122.824 119.950 -0.116 0.000 2.558 171 F HA 0.234 4.761 4.527 -0.000 0.000 0.298 171 F C 2.504 178.173 175.800 -0.219 0.000 1.119 171 F CA 0.563 58.490 58.000 -0.121 0.000 1.451 171 F CB 0.017 38.955 39.000 -0.103 0.000 1.091 171 F HN 0.228 nan 8.300 nan 0.000 0.563 172 K N 0.482 120.685 120.400 -0.329 0.000 2.160 172 K HA -0.247 4.073 4.320 -0.000 0.000 0.206 172 K C 0.783 177.128 176.600 -0.426 0.000 1.047 172 K CA 1.815 57.700 56.287 -0.670 0.000 0.930 172 K CB -0.890 30.892 32.500 -1.196 0.000 0.720 172 K HN 0.318 nan 8.250 nan 0.000 0.450 173 Y N 1.398 121.639 120.300 -0.100 0.000 2.465 173 Y HA 0.110 4.660 4.550 -0.000 0.000 0.311 173 Y C 1.042 176.963 175.900 0.035 0.000 1.204 173 Y CA -0.121 57.956 58.100 -0.039 0.000 1.272 173 Y CB 0.278 38.705 38.460 -0.056 0.000 1.083 173 Y HN 0.133 nan 8.280 nan 0.000 0.508 174 E N -0.355 119.931 120.200 0.143 0.000 2.498 174 E HA 0.060 4.410 4.350 -0.000 0.000 0.203 174 E C 0.976 177.658 176.600 0.137 0.000 1.013 174 E CA 0.133 56.651 56.400 0.196 0.000 0.927 174 E CB 0.137 29.922 29.700 0.141 0.000 1.012 174 E HN 0.378 nan 8.360 nan 0.000 0.482 175 S N 0.062 115.797 115.700 0.057 0.000 2.641 175 S HA 0.405 4.875 4.470 -0.000 0.000 0.251 175 S C 1.035 175.617 174.600 -0.030 0.000 1.332 175 S CA 0.107 58.308 58.200 0.001 0.000 0.968 175 S CB 0.642 63.840 63.200 -0.004 0.000 0.987 175 S HN 0.319 nan 8.310 nan 0.000 0.587 176 G N -1.093 107.664 108.800 -0.072 0.000 2.855 176 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.352 176 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.352 176 G C -0.281 174.462 174.900 -0.261 0.000 1.415 176 G CA -0.344 44.691 45.100 -0.110 0.000 0.871 176 G HN 1.567 nan 8.290 nan 0.000 0.543 177 V N 1.254 121.041 119.914 -0.212 0.000 3.295 177 V HA 0.716 4.836 4.120 -0.000 0.000 0.308 177 V C 0.095 176.013 176.094 -0.293 0.000 1.068 177 V CA -0.602 61.558 62.300 -0.234 0.000 1.062 177 V CB 1.425 33.203 31.823 -0.075 0.000 1.162 177 V HN 0.914 nan 8.190 nan 0.000 0.456 178 H N 3.104 122.303 119.070 0.215 0.000 2.667 178 H HA 0.461 5.017 4.556 -0.000 0.000 0.353 178 H C -0.363 175.098 175.328 0.222 0.000 1.072 178 H CA -0.535 55.729 56.048 0.361 0.000 1.214 178 H CB 1.361 31.476 29.762 0.589 0.000 1.600 178 H HN 0.629 nan 8.280 nan 0.000 0.527 179 R N 1.528 122.212 120.500 0.306 0.000 2.500 179 R HA 0.540 4.880 4.340 -0.000 0.000 0.275 179 R C -1.039 175.196 176.300 -0.109 0.000 1.051 179 R CA -0.701 55.422 56.100 0.039 0.000 1.088 179 R CB 1.045 31.360 30.300 0.026 0.000 1.063 179 R HN 0.367 nan 8.270 nan 0.000 0.511 180 V N 3.976 123.663 119.914 -0.378 0.000 2.697 180 V HA 0.256 4.376 4.120 -0.000 0.000 0.300 180 V C -1.700 174.173 176.094 -0.368 0.000 1.115 180 V CA -0.498 61.462 62.300 -0.567 0.000 0.912 180 V CB 2.103 33.096 31.823 -1.385 0.000 1.024 180 V HN 0.875 nan 8.190 nan 0.000 0.431 181 Q N 6.823 126.434 119.800 -0.315 0.000 2.307 181 Q HA 0.803 5.143 4.340 -0.000 0.000 0.262 181 Q C -0.435 175.461 176.000 -0.173 0.000 0.961 181 Q CA -0.656 55.036 55.803 -0.186 0.000 0.882 181 Q CB 2.272 30.942 28.738 -0.114 0.000 1.264 181 Q HN 0.846 nan 8.270 nan 0.000 0.446 182 R N -0.753 119.734 120.500 -0.021 0.000 2.828 182 R HA 0.305 4.645 4.340 -0.000 0.000 0.280 182 R C -1.921 174.466 176.300 0.145 0.000 1.020 182 R CA -0.740 55.446 56.100 0.144 0.000 0.855 182 R CB 0.452 30.968 30.300 0.360 0.000 1.278 182 R HN 0.324 nan 8.270 nan 0.000 0.495 183 V N 3.404 123.416 119.914 0.164 0.000 2.389 183 V HA 0.319 4.439 4.120 -0.000 0.000 0.264 183 V C -1.612 174.568 176.094 0.144 0.000 1.049 183 V CA -1.250 61.134 62.300 0.140 0.000 0.932 183 V CB 0.618 32.504 31.823 0.104 0.000 1.011 183 V HN 0.654 nan 8.190 nan 0.000 0.475 184 P HA 0.126 nan 4.420 nan 0.000 0.272 184 P C 1.051 178.397 177.300 0.075 0.000 1.240 184 P CA -0.133 63.029 63.100 0.102 0.000 0.791 184 P CB 1.209 32.944 31.700 0.059 0.000 0.978 185 V N 0.600 120.550 119.914 0.060 0.000 2.626 185 V HA -0.170 3.950 4.120 -0.000 0.000 0.252 185 V C 2.441 178.552 176.094 0.027 0.000 1.067 185 V CA 2.604 64.928 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 0.749 nan 8.190 nan 0.000 0.468 186 T N -3.371 111.194 114.554 0.018 0.000 3.088 186 T HA 0.020 4.370 4.350 -0.000 0.000 0.259 186 T C 0.873 175.577 174.700 0.008 0.000 1.122 186 T CA 0.124 62.226 62.100 0.004 0.000 1.095 186 T CB 0.007 68.865 68.868 -0.016 0.000 0.930 186 T HN 0.352 nan 8.240 nan 0.000 0.508 187 E N 1.074 121.291 120.200 0.028 0.000 2.435 187 E HA 0.219 4.569 4.350 -0.000 0.000 0.256 187 E C 0.597 177.224 176.600 0.044 0.000 1.245 187 E CA 0.284 56.715 56.400 0.052 0.000 0.989 187 E CB 1.038 30.798 29.700 0.100 0.000 0.983 187 E HN 0.301 nan 8.360 nan 0.000 0.480 188 T N -0.161 114.424 114.554 0.051 0.000 3.429 188 T HA -0.010 4.340 4.350 -0.000 0.000 0.212 188 T C 0.009 174.733 174.700 0.040 0.000 0.980 188 T CA -0.309 61.814 62.100 0.038 0.000 1.201 188 T CB 0.013 68.900 68.868 0.031 0.000 1.289 188 T HN 0.209 nan 8.240 nan 0.000 0.346 189 Q N 2.808 122.634 119.800 0.042 0.000 2.300 189 Q HA 0.254 4.594 4.340 -0.000 0.000 0.262 189 Q C 0.195 176.220 176.000 0.041 0.000 1.109 189 Q CA -0.202 55.623 55.803 0.035 0.000 0.905 189 Q CB 0.248 29.004 28.738 0.030 0.000 1.280 189 Q HN 0.610 nan 8.270 nan 0.000 0.426 190 G N 4.977 113.799 108.800 0.036 0.000 2.417 190 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.285 190 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.285 190 G C -0.009 174.909 174.900 0.030 0.000 0.715 190 G CA 0.378 45.501 45.100 0.039 0.000 1.206 190 G HN 0.584 nan 8.290 nan 0.000 0.292 191 R N 2.244 122.771 120.500 0.045 0.000 2.621 191 R HA 0.441 4.781 4.340 -0.000 0.000 0.292 191 R C -0.583 175.701 176.300 -0.027 0.000 0.969 191 R CA -1.197 54.896 56.100 -0.011 0.000 0.887 191 R CB 1.292 31.581 30.300 -0.017 0.000 1.180 191 R HN 0.371 nan 8.270 nan 0.000 0.450 192 I N 3.803 124.311 120.570 -0.104 0.000 2.452 192 I HA 0.159 4.329 4.170 -0.000 0.000 0.287 192 I C -1.034 174.953 176.117 -0.216 0.000 1.079 192 I CA 0.246 61.495 61.300 -0.086 0.000 1.387 192 I CB 0.217 38.178 38.000 -0.064 0.000 1.404 192 I HN 0.536 nan 8.210 nan 0.000 0.522 193 H N 5.582 124.647 119.070 -0.007 0.000 2.800 193 H HA 0.316 4.872 4.556 -0.000 0.000 0.322 193 H C -0.392 174.903 175.328 -0.054 0.000 0.979 193 H CA -0.542 55.493 56.048 -0.023 0.000 1.277 193 H CB 1.259 31.015 29.762 -0.012 0.000 1.484 193 H HN 0.536 nan 8.280 nan 0.000 0.512 194 T N 2.457 117.035 114.554 0.040 0.000 2.918 194 T HA 0.343 4.693 4.350 -0.000 0.000 0.302 194 T C 0.289 174.968 174.700 -0.036 0.000 1.045 194 T CA -0.060 62.021 62.100 -0.032 0.000 1.114 194 T CB 0.752 69.596 68.868 -0.041 0.000 0.965 194 T HN 0.488 nan 8.240 nan 0.000 0.540 195 S N 0.232 115.857 115.700 -0.125 0.000 2.656 195 S HA 0.805 5.275 4.470 -0.000 0.000 0.273 195 S C -0.287 174.204 174.600 -0.181 0.000 1.168 195 S CA -1.075 57.048 58.200 -0.127 0.000 0.817 195 S CB 2.104 65.228 63.200 -0.126 0.000 1.146 195 S HN 0.976 nan 8.310 nan 0.000 0.475 196 T N -1.761 112.734 114.554 -0.099 0.000 2.804 196 T HA 0.959 5.309 4.350 -0.000 0.000 0.290 196 T C -1.109 173.645 174.700 0.091 0.000 1.099 196 T CA -0.780 61.300 62.100 -0.032 0.000 1.011 196 T CB 1.649 70.515 68.868 -0.004 0.000 1.291 196 T HN 1.523 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 -0.377 177.298 177.584 0.150 0.000 1.060 197 A CA -0.443 51.729 52.037 0.226 0.000 0.736 197 A CB 1.095 20.347 19.000 0.419 0.000 1.280 197 A HN 1.268 nan 8.150 nan 0.000 0.401 198 T N 0.672 115.272 114.554 0.076 0.000 2.829 198 T HA 0.587 4.937 4.350 -0.000 0.000 0.282 198 T C -0.944 173.756 174.700 -0.000 0.000 0.990 198 T CA -0.301 61.793 62.100 -0.010 0.000 1.028 198 T CB 0.689 69.547 68.868 -0.017 0.000 0.951 198 T HN 1.153 nan 8.240 nan 0.000 0.460 199 V N 5.078 124.951 119.914 -0.068 0.000 2.250 199 V HA 0.617 4.737 4.120 -0.000 0.000 0.268 199 V C 0.657 176.698 176.094 -0.089 0.000 1.043 199 V CA -0.946 61.319 62.300 -0.058 0.000 0.814 199 V CB 0.289 32.126 31.823 0.024 0.000 1.072 199 V HN 1.154 nan 8.190 nan 0.000 0.451 200 A N 4.597 127.374 122.820 -0.073 0.000 2.340 200 A HA 0.806 5.126 4.320 -0.000 0.000 0.268 200 A C -0.377 177.165 177.584 -0.070 0.000 1.100 200 A CA -0.219 51.784 52.037 -0.056 0.000 0.803 200 A CB 0.914 19.892 19.000 -0.037 0.000 1.043 200 A HN 0.653 nan 8.150 nan 0.000 0.488 201 V N 2.657 122.556 119.914 -0.025 0.000 2.808 201 V HA 0.666 4.786 4.120 -0.000 0.000 0.308 201 V C -0.589 175.554 176.094 0.081 0.000 1.099 201 V CA -0.392 61.917 62.300 0.016 0.000 0.920 201 V CB 1.360 33.215 31.823 0.053 0.000 1.014 201 V HN 1.122 nan 8.190 nan 0.000 0.425 202 L N 2.273 123.483 121.223 -0.022 0.000 2.545 202 L HA 0.788 5.128 4.340 -0.000 0.000 0.258 202 L C -3.047 173.597 176.870 -0.376 0.000 0.942 202 L CA -1.783 52.925 54.840 -0.221 0.000 0.855 202 L CB 2.686 44.664 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 -1.199 175.967 177.300 -0.223 0.000 1.227 203 P CA -0.178 62.634 63.100 -0.480 0.000 0.781 203 P CB 0.948 32.308 31.700 -0.567 0.000 0.906 204 K N 1.810 122.135 120.400 -0.125 0.000 2.202 204 K HA 0.656 4.976 4.320 -0.000 0.000 0.264 204 K C -0.269 176.294 176.600 -0.061 0.000 1.010 204 K CA -0.694 55.550 56.287 -0.071 0.000 0.940 204 K CB 0.699 33.181 32.500 -0.031 0.000 0.983 204 K HN 0.458 nan 8.250 nan 0.000 0.475 205 A N 1.275 124.068 122.820 -0.046 0.000 2.686 205 A HA 0.620 4.940 4.320 -0.000 0.000 0.263 205 A C -1.227 176.346 177.584 -0.019 0.000 1.264 205 A CA -0.577 51.439 52.037 -0.035 0.000 0.799 205 A CB 1.565 20.540 19.000 -0.043 0.000 1.363 205 A HN 0.734 nan 8.150 nan 0.000 0.507 206 E N 0.296 120.489 120.200 -0.013 0.000 2.531 206 E HA 0.202 4.552 4.350 -0.000 0.000 0.323 206 E C -1.836 174.767 176.600 0.005 0.000 0.908 206 E CA -0.272 56.127 56.400 -0.001 0.000 0.792 206 E CB 1.564 31.267 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 0.017 4.367 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 0.365 56.783 56.400 0.030 0.000 0.926 207 E CB 0.318 30.043 29.700 0.041 0.000 1.035 207 E HN 0.288 nan 8.360 nan 0.000 0.418 208 E N 4.175 124.411 120.200 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 0.047 56.485 56.400 0.063 0.000 1.307 208 E CB -0.290 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 0.342 120.806 120.400 0.107 0.000 2.737 209 D HA -0.240 4.400 4.640 -0.000 0.000 0.238 209 D C -0.401 175.956 176.300 0.095 0.000 1.157 209 D CA 0.785 54.835 54.000 0.084 0.000 0.694 209 D CB -2.060 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 0.500 176.301 175.800 0.002 0.000 1.101 210 F CA -0.671 57.329 58.000 0.000 0.000 1.251 210 F CB 0.768 39.769 39.000 0.001 0.000 1.132 210 F HN 0.139 nan 8.300 nan 0.000 0.570 211 A N 4.826 127.480 122.820 -0.277 0.000 2.248 211 A HA 0.698 5.018 4.320 -0.000 0.000 0.316 211 A C -0.712 176.726 177.584 -0.243 0.000 1.101 211 A CA -1.076 50.740 52.037 -0.369 0.000 0.875 211 A CB 0.492 19.402 19.000 -0.150 0.000 1.207 211 A HN 0.843 nan 8.150 nan 0.000 0.504 212 L N 0.953 122.076 121.223 -0.166 0.000 2.455 212 L HA 0.172 4.512 4.340 -0.000 0.000 0.272 212 L C 0.614 177.540 176.870 0.093 0.000 1.174 212 L CA -0.114 54.742 54.840 0.027 0.000 0.869 212 L CB -0.539 41.535 42.059 0.025 0.000 1.130 212 L HN 0.634 nan 8.230 nan 0.000 0.474 213 N N 3.293 122.097 118.700 0.172 0.000 2.399 213 N HA 0.082 4.822 4.740 -0.000 0.000 0.259 213 N C 0.756 176.306 175.510 0.067 0.000 1.160 213 N CA -0.124 52.996 53.050 0.116 0.000 0.946 213 N CB 0.615 39.179 38.487 0.129 0.000 1.156 213 N HN 0.519 nan 8.380 nan 0.000 0.489 214 M N 1.446 121.071 119.600 0.041 0.000 2.539 214 M HA -0.090 4.389 4.480 -0.000 0.000 0.261 214 M C 0.362 176.666 176.300 0.007 0.000 1.069 214 M CA 0.954 56.267 55.300 0.022 0.000 1.081 214 M CB -0.479 32.129 32.600 0.014 0.000 1.412 214 M HN 0.448 nan 8.290 nan 0.000 0.482 215 D N 0.588 120.989 120.400 0.003 0.000 2.348 215 D HA -0.045 4.595 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 0.502 54.495 54.000 -0.012 0.000 0.873 215 D CB 0.255 41.052 40.800 -0.006 0.000 0.925 215 D HN 0.565 nan 8.370 nan 0.000 0.524 216 E N 0.385 120.549 120.200 -0.060 0.000 2.736 216 E HA 0.159 4.509 4.350 -0.000 0.000 0.208 216 E C -0.394 176.093 176.600 -0.189 0.000 0.996 216 E CA -0.212 56.095 56.400 -0.155 0.000 1.104 216 E CB 0.537 30.097 29.700 -0.234 0.000 1.111 216 E HN -0.008 nan 8.360 nan 0.000 0.455 217 I N 1.968 122.494 120.570 -0.072 0.000 2.497 217 I HA 0.295 4.465 4.170 -0.000 0.000 0.284 217 I C -0.553 175.556 176.117 -0.012 0.000 1.060 217 I CA -0.610 60.676 61.300 -0.023 0.000 1.071 217 I CB 1.693 39.712 38.000 0.031 0.000 1.216 217 I HN 0.186 nan 8.210 nan 0.000 0.442 218 R N 6.788 127.282 120.500 -0.010 0.000 2.312 218 R HA 0.660 5.000 4.340 -0.000 0.000 0.311 218 R C -1.062 175.241 176.300 0.005 0.000 1.004 218 R CA -0.502 55.596 56.100 -0.005 0.000 0.902 218 R CB 1.280 31.575 30.300 -0.009 0.000 1.073 218 R HN 0.549 nan 8.270 nan 0.000 0.457 219 I N 4.460 125.033 120.570 0.004 0.000 2.312 219 I HA 0.164 4.334 4.170 -0.000 0.000 0.290 219 I C -0.487 175.633 176.117 0.004 0.000 1.008 219 I CA -0.584 60.720 61.300 0.006 0.000 1.226 219 I CB 1.513 39.516 38.000 0.005 0.000 1.371 219 I HN 0.482 nan 8.210 nan 0.000 0.468 220 D N 6.092 126.496 120.400 0.005 0.000 2.177 220 D HA 0.462 5.102 4.640 -0.000 0.000 0.247 220 D C -0.386 175.916 176.300 0.004 0.000 1.063 220 D CA -0.025 53.977 54.000 0.004 0.000 0.867 220 D CB 2.395 43.198 40.800 0.005 0.000 1.168 220 D HN 0.261 nan 8.370 nan 0.000 0.445 221 V N -0.396 119.519 119.914 0.002 0.000 2.914 221 V HA 0.901 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 -0.887 61.414 62.300 0.002 0.000 0.963 221 V CB 1.912 33.736 31.823 0.001 0.000 1.025 221 V HN 0.707 nan 8.190 nan 0.000 0.432 222 M N 0.721 120.322 119.600 0.002 0.000 3.069 222 M HA 0.667 5.147 4.480 -0.000 0.000 0.274 222 M C -1.171 175.130 176.300 0.001 0.000 1.146 222 M CA -0.953 54.348 55.300 0.001 0.000 0.807 222 M CB 1.694 34.295 32.600 0.002 0.000 1.621 222 M HN 0.545 nan 8.290 nan 0.000 0.521 223 R N 1.549 122.050 120.500 0.001 0.000 2.623 223 R HA 0.628 4.968 4.340 -0.000 0.000 0.271 223 R C 0.209 176.509 176.300 0.001 0.000 1.043 223 R CA 0.968 57.069 56.100 0.001 0.000 1.083 223 R CB 0.422 30.723 30.300 0.001 0.000 0.974 223 R HN 0.760 nan 8.270 nan 0.000 0.436 224 A N 1.358 124.179 122.820 0.001 0.000 2.346 224 A HA 0.319 4.639 4.320 -0.000 0.000 0.255 224 A C -0.165 177.419 177.584 0.001 0.000 1.113 224 A CA -0.026 52.011 52.037 0.001 0.000 0.798 224 A CB 0.504 19.504 19.000 0.000 0.000 1.073 224 A HN 0.511 nan 8.150 nan 0.000 0.502 225 S N -0.598 115.102 115.700 0.001 0.000 2.733 225 S HA 0.635 5.105 4.470 -0.000 0.000 0.307 225 S C -0.077 174.523 174.600 0.000 0.000 1.127 225 S CA 0.492 58.693 58.200 0.001 0.000 1.097 225 S CB -0.209 62.992 63.200 0.001 0.000 1.003 225 S HN 2.366 nan 8.310 nan 0.000 0.477 226 G N 4.754 113.554 108.800 0.000 0.000 2.340 226 G HA2 0.183 4.143 3.960 -0.000 0.000 0.282 226 G HA3 0.183 4.143 3.960 -0.000 0.000 0.282 226 G C -3.151 171.748 174.900 -0.000 0.000 1.312 226 G CA -0.598 44.502 45.100 -0.000 0.000 0.942 226 G HN 0.614 nan 8.290 nan 0.000 0.495 227 P HA 0.497 nan 4.420 nan 0.000 0.280 227 P C 0.929 178.229 177.300 -0.000 0.000 1.278 227 P CA 1.431 64.531 63.100 -0.000 0.000 0.787 227 P CB 0.620 32.319 31.700 -0.001 0.000 1.163 228 G N -3.296 105.504 108.800 -0.001 0.000 2.672 228 G HA2 0.265 4.225 3.960 -0.000 0.000 0.197 228 G HA3 0.265 4.225 3.960 -0.000 0.000 0.197 228 G C 0.527 175.427 174.900 -0.001 0.000 0.995 228 G CA 0.355 45.455 45.100 -0.001 0.000 0.754 228 G HN 0.978 nan 8.290 nan 0.000 0.505 229 G N 0.266 109.066 108.800 -0.000 0.000 2.512 229 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.254 229 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.254 229 G C 0.745 175.645 174.900 -0.000 0.000 1.199 229 G CA 1.044 46.144 45.100 -0.000 0.000 0.941 229 G HN 1.154 nan 8.290 nan 0.000 0.569 230 Q N 0.568 120.368 119.800 -0.000 0.000 2.291 230 Q HA 0.046 4.386 4.340 -0.000 0.000 0.206 230 Q C 2.639 178.639 176.000 -0.000 0.000 0.976 230 Q CA 2.334 58.136 55.803 -0.000 0.000 0.875 230 Q CB -0.773 27.965 28.738 -0.000 0.000 0.927 230 Q HN 0.936 nan 8.270 nan 0.000 0.450 231 G N 0.054 108.854 108.800 -0.000 0.000 2.434 231 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.214 231 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.214 231 G C 1.316 176.216 174.900 -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 1.582 121.496 119.914 -0.000 0.000 2.546 232 V HA -0.218 3.902 4.120 -0.000 0.000 0.254 232 V C 2.403 178.497 176.094 -0.000 0.000 1.076 232 V CA 2.567 64.867 62.300 -0.000 0.000 1.087 232 V CB -0.533 31.290 31.823 -0.000 0.000 0.674 232 V HN 0.345 nan 8.190 nan 0.000 0.470 233 N N -0.033 118.667 118.700 -0.000 0.000 2.092 233 N HA -0.109 4.631 4.740 -0.000 0.000 0.189 233 N C 1.928 177.438 175.510 -0.000 0.000 1.040 233 N CA 2.140 55.190 53.050 -0.000 0.000 0.845 233 N CB -0.952 37.535 38.487 -0.000 0.000 1.017 233 N HN 0.617 nan 8.380 nan 0.000 0.426 234 T N 0.427 114.981 114.554 -0.000 0.000 2.684 234 T HA -0.030 4.320 4.350 -0.000 0.000 0.253 234 T C 0.428 175.128 174.700 -0.000 0.000 1.057 234 T CA 0.891 62.991 62.100 -0.000 0.000 1.162 234 T CB -0.882 67.985 68.868 -0.000 0.000 0.868 234 T HN 0.119 nan 8.240 nan 0.000 0.409 235 T N 3.601 118.155 114.554 -0.000 0.000 2.761 235 T HA 0.069 4.419 4.350 -0.000 0.000 0.262 235 T C 0.669 175.369 174.700 -0.000 0.000 0.968 235 T CA 0.251 62.351 62.100 -0.000 0.000 1.235 235 T CB -0.035 68.833 68.868 -0.001 0.000 0.925 235 T HN 0.627 nan 8.240 nan 0.000 0.545 236 D N 2.522 122.922 120.400 -0.000 0.000 2.119 236 D HA -0.136 4.504 4.640 -0.000 0.000 0.199 236 D C 1.117 177.417 176.300 0.000 0.000 0.987 236 D CA 1.135 55.135 54.000 0.000 0.000 0.858 236 D CB -0.667 40.134 40.800 0.000 0.000 1.008 236 D HN 0.450 nan 8.370 nan 0.000 0.450 237 S N -1.491 114.209 115.700 -0.000 0.000 3.382 237 S HA -0.139 4.331 4.470 -0.000 0.000 0.293 237 S C 0.138 174.738 174.600 0.000 0.000 1.262 237 S CA 0.452 58.652 58.200 -0.000 0.000 0.969 237 S CB -1.954 61.246 63.200 -0.001 0.000 1.136 237 S HN 0.914 nan 8.310 nan 0.000 0.635 238 A N 1.039 123.859 122.820 0.001 0.000 2.249 238 A HA 0.663 4.983 4.320 -0.000 0.000 0.314 238 A C -0.017 177.568 177.584 0.002 0.000 1.290 238 A CA -0.352 51.686 52.037 0.001 0.000 0.893 238 A CB 0.755 19.755 19.000 0.001 0.000 1.165 238 A HN 0.473 nan 8.150 nan 0.000 0.530 239 V N 3.581 123.496 119.914 0.002 0.000 2.459 239 V HA 0.612 4.732 4.120 -0.000 0.000 0.295 239 V C 0.235 176.332 176.094 0.005 0.000 1.029 239 V CA -0.731 61.570 62.300 0.003 0.000 0.874 239 V CB 1.523 33.348 31.823 0.002 0.000 0.985 239 V HN 0.918 nan 8.190 nan 0.000 0.438 240 R N 3.708 124.212 120.500 0.006 0.000 2.513 240 R HA 0.735 5.075 4.340 -0.000 0.000 0.301 240 R C -1.156 175.151 176.300 0.012 0.000 0.968 240 R CA -0.318 55.788 56.100 0.009 0.000 0.872 240 R CB 2.126 32.431 30.300 0.009 0.000 1.177 240 R HN 0.689 nan 8.270 nan 0.000 0.444 241 V N 1.158 121.082 119.914 0.017 0.000 2.975 241 V HA 0.804 4.924 4.120 -0.000 0.000 0.318 241 V C -0.605 175.509 176.094 0.035 0.000 1.077 241 V CA -0.733 61.581 62.300 0.024 0.000 1.000 241 V CB 1.800 33.640 31.823 0.028 0.000 1.066 241 V HN 0.475 nan 8.190 nan 0.000 0.452 242 V N 1.935 121.875 119.914 0.044 0.000 2.671 242 V HA 0.340 4.460 4.120 -0.000 0.000 0.292 242 V C -0.728 175.411 176.094 0.075 0.000 1.115 242 V CA -0.421 61.913 62.300 0.058 0.000 0.918 242 V CB 1.181 33.024 31.823 0.034 0.000 1.036 242 V HN 1.291 nan 8.190 nan 0.000 0.445 243 H N 6.636 125.719 119.070 0.021 0.000 3.086 243 H HA 0.166 4.722 4.556 -0.000 0.000 0.265 243 H C 0.535 175.876 175.328 0.021 0.000 1.092 243 H CA 0.221 56.286 56.048 0.028 0.000 1.487 243 H CB 1.459 31.246 29.762 0.040 0.000 1.514 243 H HN 0.708 nan 8.280 nan 0.000 0.497 244 L N 7.627 128.716 121.223 -0.224 0.000 2.017 244 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 244 L C -0.443 176.375 176.870 -0.087 0.000 1.073 244 L CA 1.383 56.148 54.840 -0.125 0.000 0.745 244 L CB -1.635 40.350 42.059 -0.123 0.000 0.894 244 L HN 0.562 nan 8.230 nan 0.000 0.432 245 P HA -0.095 nan 4.420 nan 0.000 0.225 245 P C 1.145 178.527 177.300 0.136 0.000 1.148 245 P CA 1.566 64.660 63.100 -0.011 0.000 0.779 245 P CB -0.127 31.573 31.700 0.001 0.000 0.780 246 T N -7.393 107.333 114.554 0.288 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 0.502 62.725 62.100 0.205 0.000 0.917 246 T CB -0.196 68.779 68.868 0.178 0.000 1.084 246 T HN 0.159 nan 8.240 nan 0.000 0.522 247 G N 1.919 110.792 108.800 0.122 0.000 2.353 247 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.258 247 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.258 247 G C 0.255 175.198 174.900 0.072 0.000 1.013 247 G CA 0.277 45.420 45.100 0.071 0.000 0.622 247 G HN 0.711 nan 8.290 nan 0.000 0.535 248 I N 2.459 123.081 120.570 0.086 0.000 2.948 248 I HA 0.454 4.624 4.170 -0.000 0.000 0.290 248 I C 0.668 176.827 176.117 0.071 0.000 1.226 248 I CA 0.842 62.178 61.300 0.060 0.000 1.413 248 I CB 0.680 38.702 38.000 0.037 0.000 1.352 248 I HN 0.583 nan 8.210 nan 0.000 0.597 249 M N 8.390 128.018 119.600 0.046 0.000 2.578 249 M HA 0.629 5.109 4.480 -0.000 0.000 0.276 249 M C -1.795 174.522 176.300 0.028 0.000 1.245 249 M CA -0.652 54.674 55.300 0.043 0.000 0.871 249 M CB 1.904 34.525 32.600 0.035 0.000 1.722 249 M HN 0.364 nan 8.290 nan 0.000 0.473 250 V N -1.407 118.522 119.914 0.025 0.000 3.206 250 V HA 1.012 5.132 4.120 -0.000 0.000 0.305 250 V C -1.062 175.040 176.094 0.014 0.000 1.257 250 V CA -0.192 62.117 62.300 0.016 0.000 1.057 250 V CB 1.714 33.545 31.823 0.013 0.000 1.075 250 V HN 1.250 nan 8.190 nan 0.000 0.443 251 T N 0.031 114.591 114.554 0.009 0.000 2.957 251 T HA 0.651 5.001 4.350 -0.000 0.000 0.336 251 T C -1.552 173.150 174.700 0.004 0.000 1.462 251 T CA -0.069 62.035 62.100 0.007 0.000 1.073 251 T CB 1.303 70.175 68.868 0.007 0.000 1.319 251 T HN 1.262 nan 8.240 nan 0.000 0.485 252 C N 2.482 121.783 119.300 0.003 0.000 2.994 252 C HA 0.781 5.241 4.460 -0.000 0.000 0.304 252 C C 0.246 175.236 174.990 0.001 0.000 1.273 252 C CA -0.432 58.586 59.018 0.001 0.000 1.537 252 C CB 1.898 29.638 27.740 -0.000 0.000 2.001 252 C HN 1.086 nan 8.230 nan 0.000 0.471 253 Q N -0.644 119.156 119.800 0.000 0.000 1.859 253 Q HA 0.105 4.445 4.340 -0.000 0.000 0.180 253 Q C -0.390 175.610 176.000 -0.001 0.000 0.765 253 Q CA -0.011 55.792 55.803 -0.000 0.000 0.888 253 Q CB -0.295 28.443 28.738 0.001 0.000 1.230 253 Q HN 0.673 nan 8.270 nan 0.000 0.402 254 D N 0.901 121.300 120.400 -0.001 0.000 2.348 254 D HA 0.087 4.727 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 0.335 54.334 54.000 -0.001 0.000 0.904 254 D CB 0.601 41.400 40.800 -0.002 0.000 0.901 254 D HN 0.120 nan 8.370 nan 0.000 0.523 255 S N -0.939 114.760 115.700 -0.002 0.000 2.536 255 S HA 0.333 4.803 4.470 -0.000 0.000 0.271 255 S C 0.594 175.193 174.600 -0.002 0.000 1.134 255 S CA -0.914 57.285 58.200 -0.002 0.000 0.897 255 S CB 1.229 64.428 63.200 -0.003 0.000 1.094 255 S HN -0.021 nan 8.310 nan 0.000 0.473 256 R N 1.289 121.788 120.500 -0.002 0.000 2.127 256 R HA -0.011 4.329 4.340 -0.000 0.000 0.238 256 R C 0.836 177.135 176.300 -0.002 0.000 1.134 256 R CA 0.972 57.071 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 0.463 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 0.004 4.474 4.470 -0.000 0.000 0.275 257 S C 0.875 175.474 174.600 -0.002 0.000 1.299 257 S CA -0.562 57.637 58.200 -0.002 0.000 1.048 257 S CB 1.723 64.922 63.200 -0.002 0.000 0.938 257 S HN 0.276 nan 8.310 nan 0.000 0.496 258 Q N 4.123 123.922 119.800 -0.002 0.000 2.083 258 Q HA -0.088 4.252 4.340 -0.000 0.000 0.198 258 Q C 1.830 177.829 176.000 -0.002 0.000 0.969 258 Q CA 1.656 57.458 55.803 -0.001 0.000 0.838 258 Q CB -0.160 28.577 28.738 -0.001 0.000 0.900 258 Q HN 0.942 nan 8.270 nan 0.000 0.436 259 I N -1.086 119.482 120.570 -0.002 0.000 2.252 259 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 259 I C 1.641 177.756 176.117 -0.004 0.000 1.102 259 I CA 1.491 62.789 61.300 -0.003 0.000 1.385 259 I CB -1.051 36.947 38.000 -0.003 0.000 1.064 259 I HN 0.126 nan 8.210 nan 0.000 0.414 260 K N 1.226 121.624 120.400 -0.004 0.000 2.103 260 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 260 K C 1.972 178.569 176.600 -0.004 0.000 1.048 260 K CA 1.656 57.940 56.287 -0.004 0.000 0.930 260 K CB -0.254 32.244 32.500 -0.004 0.000 0.716 260 K HN 0.455 nan 8.250 nan 0.000 0.444 261 N N 0.734 119.433 118.700 -0.003 0.000 2.171 261 N HA -0.145 4.595 4.740 -0.000 0.000 0.184 261 N C 1.793 177.302 175.510 -0.002 0.000 1.021 261 N CA 0.874 53.923 53.050 -0.002 0.000 0.854 261 N CB -0.187 38.299 38.487 -0.001 0.000 0.994 261 N HN 0.209 nan 8.380 nan 0.000 0.426 262 R N 1.298 121.797 120.500 -0.002 0.000 2.091 262 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 262 R C 1.762 178.059 176.300 -0.004 0.000 1.136 262 R CA 1.467 57.566 56.100 -0.002 0.000 0.959 262 R CB -0.000 30.299 30.300 -0.001 0.000 0.856 262 R HN 0.090 nan 8.270 nan 0.000 0.437 263 E N 0.429 120.625 120.200 -0.006 0.000 2.023 263 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 263 E C 1.888 178.482 176.600 -0.011 0.000 1.003 263 E CA 1.862 58.256 56.400 -0.009 0.000 0.809 263 E CB -0.001 29.693 29.700 -0.010 0.000 0.755 263 E HN 0.207 nan 8.360 nan 0.000 0.449 264 K N -0.340 120.054 120.400 -0.009 0.000 2.002 264 K HA -0.140 4.180 4.320 -0.000 0.000 0.209 264 K C 2.053 178.648 176.600 -0.009 0.000 1.048 264 K CA 1.353 57.633 56.287 -0.010 0.000 0.930 264 K CB -0.304 32.191 32.500 -0.008 0.000 0.714 264 K HN 0.165 nan 8.250 nan 0.000 0.438 265 A N 1.029 123.846 122.820 -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 -0.002 0.000 1.178 265 A CA 1.763 53.800 52.037 -0.001 0.000 0.642 265 A CB -0.743 18.258 19.000 0.002 0.000 0.816 265 A HN 0.345 nan 8.150 nan 0.000 0.453 266 L N -1.394 119.827 121.223 -0.005 0.000 2.044 266 L HA -0.147 4.193 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 0.911 55.747 54.840 -0.007 0.000 0.747 266 L CB -0.488 41.566 42.059 -0.009 0.000 0.903 266 L HN 0.310 nan 8.230 nan 0.000 0.435 267 M N -0.558 119.026 119.600 -0.026 0.000 2.195 267 M HA -0.208 4.272 4.480 -0.000 0.000 0.260 267 M C 2.232 178.512 176.300 -0.035 0.000 1.066 267 M CA 1.838 57.116 55.300 -0.037 0.000 1.089 267 M CB -0.909 31.673 32.600 -0.030 0.000 1.377 267 M HN 0.210 nan 8.290 nan 0.000 0.411 268 I N -0.312 120.245 120.570 -0.022 0.000 2.400 268 I HA -0.137 4.033 4.170 -0.000 0.000 0.248 268 I C 2.343 178.452 176.117 -0.013 0.000 1.109 268 I CA 0.641 61.931 61.300 -0.016 0.000 1.425 268 I CB -0.670 37.325 38.000 -0.008 0.000 1.094 268 I HN 0.180 nan 8.210 nan 0.000 0.425 269 L N 0.597 121.816 121.223 -0.007 0.000 2.013 269 L HA -0.294 4.046 4.340 -0.000 0.000 0.212 269 L C 2.812 179.676 176.870 -0.010 0.000 1.073 269 L CA 1.730 56.572 54.840 0.005 0.000 0.753 269 L CB -0.318 41.755 42.059 0.024 0.000 0.890 269 L HN 0.271 nan 8.230 nan 0.000 0.432 270 R N -0.785 119.691 120.500 -0.040 0.000 2.070 270 R HA -0.214 4.126 4.340 -0.000 0.000 0.232 270 R C 2.475 178.729 176.300 -0.077 0.000 1.138 270 R CA 2.067 58.106 56.100 -0.101 0.000 0.936 270 R CB -0.529 29.671 30.300 -0.167 0.000 0.839 270 R HN 0.288 nan 8.270 nan 0.000 0.429 271 S N 0.067 115.732 115.700 -0.059 0.000 2.370 271 S HA -0.114 4.356 4.470 -0.000 0.000 0.226 271 S C 2.045 176.643 174.600 -0.003 0.000 1.033 271 S CA 1.053 59.233 58.200 -0.033 0.000 1.011 271 S CB -0.169 63.014 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 0.004 4.344 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 1.266 57.367 56.100 0.003 0.000 0.952 272 R CB -0.929 29.371 30.300 -0.001 0.000 0.850 272 R HN 0.450 nan 8.270 nan 0.000 0.433 273 L N 0.773 122.007 121.223 0.019 0.000 2.046 273 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 273 L C 2.650 179.599 176.870 0.133 0.000 1.077 273 L CA 0.857 55.719 54.840 0.037 0.000 0.747 273 L CB -0.454 41.625 42.059 0.035 0.000 0.896 273 L HN 0.189 nan 8.230 nan 0.000 0.432 274 L N -0.152 121.188 121.223 0.194 0.000 2.079 274 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 274 L C 2.409 179.355 176.870 0.126 0.000 1.081 274 L CA 1.572 56.576 54.840 0.273 0.000 0.752 274 L CB -0.178 41.968 42.059 0.145 0.000 0.896 274 L HN 0.268 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 -0.211 4.139 4.350 -0.000 0.000 0.194 275 E C 2.178 178.787 176.600 0.016 0.000 0.989 275 E CA 1.294 57.712 56.400 0.030 0.000 0.824 275 E CB -0.073 29.636 29.700 0.015 0.000 0.756 275 E HN 0.615 nan 8.360 nan 0.000 0.477 276 M N 0.283 119.890 119.600 0.011 0.000 2.123 276 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 276 M C 2.080 178.365 176.300 -0.026 0.000 1.069 276 M CA 1.186 56.478 55.300 -0.013 0.000 1.133 276 M CB -0.134 32.450 32.600 -0.028 0.000 1.356 276 M HN -0.141 nan 8.290 nan 0.000 0.415 277 K N 0.505 120.886 120.400 -0.033 0.000 2.057 277 K HA -0.064 4.256 4.320 -0.000 0.000 0.207 277 K C 1.914 178.494 176.600 -0.032 0.000 1.049 277 K CA 1.357 57.606 56.287 -0.064 0.000 0.931 277 K CB -0.229 32.196 32.500 -0.125 0.000 0.714 277 K HN 0.233 nan 8.250 nan 0.000 0.440 278 R N -0.490 120.009 120.500 -0.002 0.000 2.148 278 R HA -0.010 4.330 4.340 -0.000 0.000 0.227 278 R C 2.069 178.364 176.300 -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 30.129 30.300 0.017 0.000 0.874 278 R HN 0.179 nan 8.270 nan 0.000 0.451 279 A N 0.938 123.752 122.820 -0.011 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 0.554 52.584 52.037 -0.013 0.000 0.628 279 A CB -0.229 18.765 19.000 -0.011 0.000 0.847 279 A HN 0.257 nan 8.150 nan 0.000 0.449 280 E N 0.127 120.312 120.200 -0.025 0.000 2.085 280 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 280 E C 1.941 178.522 176.600 -0.031 0.000 0.994 280 E CA 1.592 57.974 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 0.738 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 -0.143 4.207 4.350 -0.000 0.000 0.191 281 E C 1.866 178.448 176.600 -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 29.530 29.700 -0.038 0.000 0.750 281 E HN 0.303 nan 8.360 nan 0.000 0.452 282 A N 0.503 123.309 122.820 -0.024 0.000 2.172 282 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 282 A C 1.848 179.420 177.584 -0.020 0.000 1.154 282 A CA 1.379 53.404 52.037 -0.021 0.000 0.701 282 A CB -0.314 18.677 19.000 -0.016 0.000 0.789 282 A HN 0.244 nan 8.150 nan 0.000 0.465 283 E N 0.291 120.478 120.200 -0.021 0.000 2.076 283 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 283 E C 2.167 178.755 176.600 -0.020 0.000 0.979 283 E CA 1.069 57.458 56.400 -0.019 0.000 0.807 283 E CB -0.120 29.569 29.700 -0.018 0.000 0.761 283 E HN 0.635 nan 8.360 nan 0.000 0.454 284 R N 0.094 120.580 120.500 -0.023 0.000 2.073 284 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 284 R C 2.571 178.857 176.300 -0.025 0.000 1.134 284 R CA 1.461 57.547 56.100 -0.024 0.000 0.952 284 R CB -0.741 29.542 30.300 -0.028 0.000 0.850 284 R HN 0.199 nan 8.270 nan 0.000 0.433 285 L N 1.333 122.540 121.223 -0.028 0.000 2.042 285 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 285 L C 2.790 179.645 176.870 -0.024 0.000 1.076 285 L CA 1.594 56.416 54.840 -0.030 0.000 0.749 285 L CB -0.233 41.807 42.059 -0.032 0.000 0.893 285 L HN 0.117 nan 8.230 nan 0.000 0.432 286 R N -0.137 120.351 120.500 -0.021 0.000 2.091 286 R HA -0.215 4.125 4.340 -0.000 0.000 0.238 286 R C 2.271 178.562 176.300 -0.016 0.000 1.136 286 R CA 1.865 57.955 56.100 -0.017 0.000 0.959 286 R CB -0.199 30.092 30.300 -0.015 0.000 0.856 286 R HN 0.371 nan 8.270 nan 0.000 0.437 287 K N -0.562 119.829 120.400 -0.016 0.000 2.057 287 K HA -0.068 4.252 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 1.931 58.210 56.287 -0.014 0.000 0.935 287 K CB -0.087 32.405 32.500 -0.013 0.000 0.715 287 K HN 0.227 nan 8.250 nan 0.000 0.439 288 T N 1.096 115.640 114.554 -0.015 0.000 2.708 288 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 288 T C 1.851 176.544 174.700 -0.013 0.000 1.037 288 T CA 1.370 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 0.250 nan 8.240 nan 0.000 0.435 289 R N 0.655 121.145 120.500 -0.016 0.000 2.070 289 R HA 0.061 4.401 4.340 -0.000 0.000 0.233 289 R C 2.490 178.780 176.300 -0.016 0.000 1.137 289 R CA 1.146 57.236 56.100 -0.017 0.000 0.945 289 R CB -0.755 29.534 30.300 -0.019 0.000 0.845 289 R HN 0.262 nan 8.270 nan 0.000 0.430 290 L N 0.527 121.742 121.223 -0.015 0.000 2.131 290 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 290 L C 2.385 179.248 176.870 -0.013 0.000 1.092 290 L CA 1.220 56.052 54.840 -0.014 0.000 0.759 290 L CB -0.295 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 -0.879 121.934 122.820 -0.011 0.000 1.898 291 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 291 A C 2.066 179.644 177.584 -0.010 0.000 1.181 291 A CA 1.438 53.469 52.037 -0.009 0.000 0.620 291 A CB -0.356 18.640 19.000 -0.007 0.000 0.819 291 A HN 0.562 nan 8.150 nan 0.000 0.442 292 Q N -1.017 118.777 119.800 -0.011 0.000 1.858 292 Q HA -0.102 4.238 4.340 -0.000 0.000 0.224 292 Q C 2.129 178.116 176.000 -0.023 0.000 0.980 292 Q CA 1.427 57.221 55.803 -0.013 0.000 0.868 292 Q CB -0.434 28.297 28.738 -0.012 0.000 0.920 292 Q HN 0.628 nan 8.270 nan 0.000 0.427 293 I N 0.046 120.599 120.570 -0.028 0.000 2.060 293 I HA -0.018 4.152 4.170 -0.000 0.000 0.233 293 I C 0.494 176.594 176.117 -0.027 0.000 1.054 293 I CA 2.202 63.481 61.300 -0.036 0.000 1.318 293 I CB -0.900 37.079 38.000 -0.035 0.000 1.054 293 I HN 0.476 nan 8.210 nan 0.000 0.395 294 G N 0.488 109.276 108.800 -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 0.519 175.409 174.900 -0.017 0.000 0.870 294 G CA 0.332 45.422 45.100 -0.017 0.000 0.729 294 G HN 0.572 nan 8.290 nan 0.000 0.428 295 T N 1.684 116.230 114.554 -0.013 0.000 2.969 295 T HA -0.012 4.338 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 1.671 63.764 62.100 -0.011 0.000 1.102 295 T CB -0.034 68.828 68.868 -0.009 0.000 0.855 295 T HN 1.522 nan 8.240 nan 0.000 0.536 296 G N 2.204 110.996 108.800 -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 0.701 175.591 174.900 -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 -0.316 119.873 120.200 -0.018 0.000 2.365 297 E HA 0.130 4.480 4.350 -0.000 0.000 0.188 297 E C 1.763 178.352 176.600 -0.019 0.000 1.102 297 E CA -0.464 55.923 56.400 -0.021 0.000 0.927 297 E CB -0.076 29.611 29.700 -0.022 0.000 1.073 297 E HN 0.374 nan 8.360 nan 0.000 0.467 298 R N 0.607 121.096 120.500 -0.017 0.000 2.133 298 R HA -0.073 4.267 4.340 -0.000 0.000 0.247 298 R C -0.255 176.033 176.300 -0.020 0.000 1.151 298 R CA 1.488 57.579 56.100 -0.015 0.000 0.971 298 R CB 0.058 30.350 30.300 -0.013 0.000 0.866 298 R HN 0.139 nan 8.270 nan 0.000 0.447 299 S N -1.685 113.999 115.700 -0.027 0.000 2.365 299 S HA 0.096 4.566 4.470 -0.000 0.000 0.319 299 S C -1.292 173.280 174.600 -0.047 0.000 0.851 299 S CA -0.235 57.944 58.200 -0.035 0.000 0.875 299 S CB 1.076 64.257 63.200 -0.032 0.000 1.190 299 S HN 0.495 nan 8.310 nan 0.000 0.448 300 E N 1.595 121.757 120.200 -0.063 0.000 1.828 300 E HA 0.097 4.447 4.350 -0.000 0.000 0.253 300 E C -0.586 175.934 176.600 -0.133 0.000 1.065 300 E CA -0.374 55.968 56.400 -0.096 0.000 1.718 300 E CB -0.599 29.057 29.700 -0.072 0.000 3.776 300 E HN 0.366 nan 8.360 nan 0.000 0.951 301 K N 2.710 123.058 120.400 -0.086 0.000 2.527 301 K HA 0.209 4.529 4.320 -0.000 0.000 0.278 301 K C 0.356 176.918 176.600 -0.062 0.000 0.981 301 K CA 0.677 56.920 56.287 -0.074 0.000 1.009 301 K CB 0.104 32.573 32.500 -0.052 0.000 0.895 301 K HN 0.197 nan 8.250 nan 0.000 0.493 302 I N -0.851 119.700 120.570 -0.030 0.000 9.134 302 I HA -0.387 3.783 4.170 -0.000 0.000 0.127 302 I C 0.649 176.851 176.117 0.142 0.000 1.824 302 I CA 0.810 62.167 61.300 0.094 0.000 2.098 302 I CB -0.973 37.127 38.000 0.168 0.000 3.884 302 I HN 0.907 nan 8.210 nan 0.000 0.188 303 R N 0.877 121.546 120.500 0.282 0.000 2.623 303 R HA 0.312 4.652 4.340 -0.000 0.000 0.271 303 R C -0.418 175.974 176.300 0.153 0.000 1.043 303 R CA 0.054 56.287 56.100 0.221 0.000 1.083 303 R CB -0.197 30.080 30.300 -0.038 0.000 0.974 303 R HN 0.564 nan 8.270 nan 0.000 0.436 304 T N 4.137 118.799 114.554 0.180 0.000 2.811 304 T HA 0.155 4.505 4.350 -0.000 0.000 0.309 304 T C -0.769 173.909 174.700 -0.037 0.000 1.005 304 T CA -0.294 61.877 62.100 0.117 0.000 0.955 304 T CB -0.171 68.806 68.868 0.182 0.000 0.970 304 T HN 0.366 nan 8.240 nan 0.000 0.496 305 Y N 3.484 123.788 120.300 0.006 0.000 2.587 305 Y HA 0.270 4.820 4.550 -0.000 0.000 0.344 305 Y C 0.996 176.730 175.900 -0.276 0.000 1.061 305 Y CA -0.434 57.629 58.100 -0.061 0.000 1.370 305 Y CB 0.277 38.792 38.460 0.091 0.000 1.163 305 Y HN 0.442 nan 8.280 nan 0.000 0.527 306 N N 3.738 122.371 118.700 -0.112 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 0.009 0.000 1.025 306 N CA -0.594 52.369 53.050 -0.145 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 2.529 122.527 119.950 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 -0.697 38.352 39.000 0.081 0.000 1.089 307 F HN 0.392 nan 8.300 nan 0.000 0.517 308 P HA -0.232 nan 4.420 nan 0.000 0.214 308 P C 0.742 178.107 177.300 0.107 0.000 1.172 308 P CA 1.827 65.005 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 -1.272 118.581 119.800 0.089 0.000 2.365 309 Q HA 0.197 4.537 4.340 -0.000 0.000 0.203 309 Q C 0.021 176.088 176.000 0.111 0.000 0.929 309 Q CA 0.150 56.003 55.803 0.082 0.000 0.948 309 Q CB -0.303 28.466 28.738 0.051 0.000 1.043 309 Q HN 0.045 nan 8.270 nan 0.000 0.505 310 S N 1.182 116.967 115.700 0.143 0.000 3.312 310 S HA -0.253 4.217 4.470 -0.000 0.000 0.423 310 S C -0.456 174.207 174.600 0.105 0.000 0.840 310 S CA 0.596 58.898 58.200 0.170 0.000 1.357 310 S CB -0.587 62.708 63.200 0.159 0.000 0.969 310 S HN 0.577 nan 8.310 nan 0.000 0.641 311 R N 2.779 123.305 120.500 0.043 0.000 3.130 311 R HA 0.397 4.737 4.340 -0.000 0.000 0.261 311 R C -0.436 175.799 176.300 -0.109 0.000 1.683 311 R CA -0.071 55.963 56.100 -0.111 0.000 1.095 311 R CB 0.565 30.751 30.300 -0.191 0.000 1.421 311 R HN 0.568 nan 8.270 nan 0.000 0.454 312 V N 0.271 120.128 119.914 -0.096 0.000 2.732 312 V HA 0.798 4.918 4.120 -0.000 0.000 0.297 312 V C -0.173 175.798 176.094 -0.204 0.000 1.060 312 V CA -0.043 62.149 62.300 -0.180 0.000 1.038 312 V CB 1.594 33.285 31.823 -0.221 0.000 1.003 312 V HN 0.681 nan 8.190 nan 0.000 0.481 313 T N 1.882 116.307 114.554 -0.214 0.000 3.705 313 T HA 0.203 4.553 4.350 -0.000 0.000 0.342 313 T C -1.360 173.280 174.700 -0.100 0.000 1.043 313 T CA -0.505 61.489 62.100 -0.176 0.000 1.071 313 T CB 1.097 69.792 68.868 -0.289 0.000 1.124 313 T HN 1.081 nan 8.240 nan 0.000 0.467 314 D N 2.547 122.966 120.400 0.032 0.000 2.317 314 D HA 0.221 4.861 4.640 -0.000 0.000 0.252 314 D C 0.904 177.267 176.300 0.104 0.000 1.174 314 D CA 0.022 54.098 54.000 0.126 0.000 0.866 314 D CB 1.010 41.878 40.800 0.112 0.000 1.127 314 D HN 0.676 nan 8.370 nan 0.000 0.467 315 H N 2.414 121.507 119.070 0.038 0.000 2.547 315 H HA 0.063 4.619 4.556 -0.000 0.000 0.272 315 H C 1.696 177.046 175.328 0.037 0.000 0.989 315 H CA 0.418 56.484 56.048 0.030 0.000 1.214 315 H CB 0.094 29.867 29.762 0.020 0.000 1.389 315 H HN 0.377 nan 8.280 nan 0.000 0.577 316 R N 1.127 121.726 120.500 0.164 0.000 2.261 316 R HA -0.103 4.237 4.340 -0.000 0.000 0.236 316 R C 1.023 177.368 176.300 0.074 0.000 1.141 316 R CA 1.705 57.869 56.100 0.108 0.000 1.001 316 R CB 0.040 30.398 30.300 0.097 0.000 0.866 316 R HN 0.503 nan 8.270 nan 0.000 0.468 317 I N -7.364 113.248 120.570 0.070 0.000 5.061 317 I HA 0.337 4.507 4.170 -0.000 0.000 0.336 317 I C 0.896 177.041 176.117 0.047 0.000 1.247 317 I CA 1.205 62.535 61.300 0.050 0.000 1.418 317 I CB 0.614 38.635 38.000 0.035 0.000 1.467 317 I HN 0.160 nan 8.210 nan 0.000 0.510 318 G N 1.829 110.656 108.800 0.045 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 0.006 174.898 174.900 -0.013 0.000 1.002 318 G CA 0.024 45.119 45.100 -0.008 0.000 0.677 318 G HN 0.411 nan 8.290 nan 0.000 0.486 319 F N 2.181 122.077 119.950 -0.090 0.000 2.586 319 F HA 0.546 5.073 4.527 -0.000 0.000 0.344 319 F C 0.599 176.320 175.800 -0.131 0.000 1.188 319 F CA 1.687 59.632 58.000 -0.092 0.000 1.359 319 F CB 1.223 40.177 39.000 -0.077 0.000 1.129 319 F HN 0.237 nan 8.300 nan 0.000 0.609 320 T N 3.001 116.820 114.554 -1.225 0.000 2.840 320 T HA 0.508 4.858 4.350 -0.000 0.000 0.317 320 T C -1.159 172.937 174.700 -1.007 0.000 1.401 320 T CA -0.270 61.327 62.100 -0.837 0.000 1.028 320 T CB 1.420 69.987 68.868 -0.503 0.000 1.317 320 T HN 0.967 nan 8.240 nan 0.000 0.495 321 T N 0.586 114.808 114.554 -0.553 0.000 2.827 321 T HA 0.459 4.809 4.350 -0.000 0.000 0.328 321 T C -0.573 173.960 174.700 -0.278 0.000 1.598 321 T CA -0.352 61.558 62.100 -0.316 0.000 1.043 321 T CB 1.231 70.058 68.868 -0.068 0.000 1.447 321 T HN 0.762 nan 8.240 nan 0.000 0.491 322 H N 0.278 119.319 119.070 -0.050 0.000 2.639 322 H HA 0.207 4.762 4.556 -0.000 0.000 0.267 322 H C 0.625 175.971 175.328 0.030 0.000 0.958 322 H CA 0.291 56.332 56.048 -0.010 0.000 1.221 322 H CB 0.249 30.002 29.762 -0.016 0.000 1.446 322 H HN 0.552 nan 8.280 nan 0.000 0.512 323 D N 3.210 123.700 120.400 0.150 0.000 2.483 323 D HA -0.103 4.537 4.640 -0.000 0.000 0.261 323 D C 1.088 177.462 176.300 0.124 0.000 1.318 323 D CA 0.007 54.078 54.000 0.118 0.000 1.201 323 D CB 0.730 41.590 40.800 0.100 0.000 1.127 323 D HN 0.198 nan 8.370 nan 0.000 0.519 324 L N 1.480 122.786 121.223 0.138 0.000 1.988 324 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 324 L C 2.374 179.333 176.870 0.148 0.000 1.071 324 L CA 1.689 56.636 54.840 0.179 0.000 0.744 324 L CB -1.036 41.154 42.059 0.218 0.000 0.893 324 L HN 0.410 nan 8.230 nan 0.000 0.433 325 E N -0.857 119.403 120.200 0.100 0.000 2.153 325 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 325 E C 2.004 178.670 176.600 0.111 0.000 0.988 325 E CA 1.094 57.541 56.400 0.079 0.000 0.811 325 E CB -0.096 29.633 29.700 0.047 0.000 0.746 325 E HN 0.545 nan 8.360 nan 0.000 0.466 326 G N 0.540 109.410 108.800 0.116 0.000 2.433 326 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 326 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 326 G C 1.630 176.667 174.900 0.228 0.000 1.186 326 G CA 1.021 46.214 45.100 0.154 0.000 0.779 326 G HN 0.241 nan 8.290 nan 0.000 0.543 327 V N 0.977 120.988 119.914 0.161 0.000 2.453 327 V HA 0.013 4.133 4.120 -0.000 0.000 0.247 327 V C 2.681 178.818 176.094 0.072 0.000 1.048 327 V CA 0.882 63.254 62.300 0.119 0.000 1.049 327 V CB -0.326 31.555 31.823 0.097 0.000 0.672 327 V HN 0.312 nan 8.190 nan 0.000 0.457 328 L N 0.036 121.319 121.223 0.100 0.000 2.642 328 L HA -0.068 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 0.780 55.655 54.840 0.058 0.000 0.851 328 L CB -0.348 41.765 42.059 0.091 0.000 0.968 328 L HN 0.320 nan 8.230 nan 0.000 0.453 329 S N -1.095 114.638 115.700 0.056 0.000 2.526 329 S HA 0.276 4.745 4.470 -0.000 0.000 0.220 329 S C 1.100 175.654 174.600 -0.077 0.000 1.017 329 S CA 0.534 58.754 58.200 0.034 0.000 0.930 329 S CB 1.238 64.521 63.200 0.138 0.000 0.856 329 S HN 0.523 nan 8.310 nan 0.000 0.497 330 G N 1.909 110.661 108.800 -0.081 0.000 2.337 330 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.134 330 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.134 330 G C -0.214 174.621 174.900 -0.107 0.000 1.052 330 G CA -0.548 44.521 45.100 -0.051 0.000 0.737 330 G HN 0.531 nan 8.290 nan 0.000 0.485 331 H N 0.168 119.334 119.070 0.160 0.000 2.467 331 H HA 0.182 4.738 4.556 -0.000 0.000 0.275 331 H C 2.045 177.446 175.328 0.121 0.000 1.131 331 H CA 0.256 56.397 56.048 0.155 0.000 0.989 331 H CB 0.083 29.900 29.762 0.093 0.000 1.696 331 H HN 0.605 nan 8.280 nan 0.000 0.574 332 L N -1.634 119.670 121.223 0.135 0.000 2.713 332 L HA 0.168 4.508 4.340 -0.000 0.000 0.245 332 L C 1.174 178.057 176.870 0.021 0.000 1.169 332 L CA 0.034 54.869 54.840 -0.010 0.000 0.962 332 L CB -0.543 41.388 42.059 -0.213 0.000 1.161 332 L HN -0.145 nan 8.230 nan 0.000 0.427 333 T N 0.852 115.515 114.554 0.181 0.000 2.746 333 T HA -0.039 4.311 4.350 -0.000 0.000 0.267 333 T C -0.274 174.438 174.700 0.020 0.000 1.039 333 T CA 1.508 63.705 62.100 0.163 0.000 1.142 333 T CB -0.999 67.975 68.868 0.178 0.000 0.866 333 T HN 0.453 nan 8.240 nan 0.000 0.444 334 P HA 0.029 nan 4.420 nan 0.000 0.218 334 P C 1.546 178.684 177.300 -0.270 0.000 1.149 334 P CA 0.938 63.998 63.100 -0.067 0.000 0.817 334 P CB -0.229 31.486 31.700 0.025 0.000 0.785 335 I N -0.605 119.781 120.570 -0.305 0.000 2.142 335 I HA -0.220 3.950 4.170 -0.000 0.000 0.240 335 I C 2.716 178.574 176.117 -0.432 0.000 1.078 335 I CA 1.254 62.223 61.300 -0.551 0.000 1.343 335 I CB -0.811 37.009 38.000 -0.299 0.000 1.046 335 I HN -0.154 nan 8.210 nan 0.000 0.405 336 L N 0.475 121.537 121.223 -0.268 0.000 2.012 336 L HA -0.242 4.098 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 1.658 56.343 54.840 -0.259 0.000 0.748 336 L CB -0.671 41.309 42.059 -0.132 0.000 0.891 336 L HN 0.280 nan 8.230 nan 0.000 0.431 337 E N -0.161 119.913 120.200 -0.209 0.000 2.265 337 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 337 E C 2.185 178.654 176.600 -0.218 0.000 0.996 337 E CA 0.908 57.204 56.400 -0.174 0.000 0.832 337 E CB -0.088 29.553 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 2.079 179.490 177.584 -0.287 0.000 1.192 338 A CA 0.900 52.739 52.037 -0.330 0.000 0.611 338 A CB -0.481 18.143 19.000 -0.627 0.000 0.832 338 A HN 0.092 nan 8.150 nan 0.000 0.442 339 L N -0.049 120.958 121.223 -0.360 0.000 2.079 339 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 339 L C 2.393 179.023 176.870 -0.401 0.000 1.081 339 L CA 2.141 56.771 54.840 -0.351 0.000 0.752 339 L CB -0.563 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 -0.587 119.537 120.400 -0.460 0.000 2.032 340 K HA -0.232 4.088 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 1.452 57.535 56.287 -0.340 0.000 0.927 340 K CB -0.126 32.225 32.500 -0.248 0.000 0.712 340 K HN 0.163 nan 8.250 nan 0.000 0.441 341 R N 0.353 120.764 120.500 -0.148 0.000 2.080 341 R HA -0.177 4.163 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 1.703 57.750 56.100 -0.088 0.000 0.943 341 R CB -0.423 29.831 30.300 -0.077 0.000 0.846 341 R HN 0.228 nan 8.270 nan 0.000 0.431 342 A N 0.996 123.765 122.820 -0.085 0.000 1.883 342 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 342 A C 1.822 179.386 177.584 -0.034 0.000 1.186 342 A CA 2.023 54.029 52.037 -0.052 0.000 0.624 342 A CB -0.782 18.189 19.000 -0.049 0.000 0.822 342 A HN 0.498 nan 8.150 nan 0.000 0.444 343 D N -0.927 119.447 120.400 -0.042 0.000 2.218 343 D HA -0.110 4.530 4.640 -0.000 0.000 0.204 343 D C 2.222 178.527 176.300 0.009 0.000 0.976 343 D CA 0.826 54.831 54.000 0.008 0.000 0.853 343 D CB -0.016 40.818 40.800 0.056 0.000 0.939 343 D HN 0.408 nan 8.370 nan 0.000 0.481 344 Q N 0.558 120.351 119.800 -0.012 0.000 1.921 344 Q HA -0.170 4.170 4.340 -0.000 0.000 0.208 344 Q C 2.076 178.072 176.000 -0.006 0.000 0.994 344 Q CA 1.419 57.218 55.803 -0.006 0.000 0.857 344 Q CB -0.773 27.953 28.738 -0.020 0.000 0.925 344 Q HN 0.566 nan 8.270 nan 0.000 0.421 345 E N 1.028 121.217 120.200 -0.018 0.000 2.347 345 E HA -0.165 4.185 4.350 -0.000 0.000 0.196 345 E C 1.910 178.505 176.600 -0.008 0.000 1.008 345 E CA 0.605 56.994 56.400 -0.018 0.000 0.852 345 E CB -0.251 29.430 29.700 -0.031 0.000 0.783 345 E HN 0.270 nan 8.360 nan 0.000 0.505 346 R N 0.492 120.991 120.500 -0.002 0.000 2.083 346 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 346 R C 2.181 178.487 176.300 0.010 0.000 1.137 346 R CA 1.735 57.839 56.100 0.006 0.000 0.951 346 R CB 0.058 30.366 30.300 0.014 0.000 0.851 346 R HN 0.145 nan 8.270 nan 0.000 0.434 347 Q N 0.195 120.003 119.800 0.014 0.000 2.163 347 Q HA -0.078 4.262 4.340 -0.000 0.000 0.198 347 Q C 2.107 178.114 176.000 0.012 0.000 0.954 347 Q CA 0.628 56.441 55.803 0.017 0.000 0.851 347 Q CB -0.181 28.572 28.738 0.025 0.000 0.928 347 Q HN 0.279 nan 8.270 nan 0.000 0.459 348 L N 1.006 122.234 121.223 0.008 0.000 2.005 348 L HA 0.003 4.343 4.340 -0.000 0.000 0.207 348 L C 2.177 179.045 176.870 -0.003 0.000 1.072 348 L CA 2.093 56.936 54.840 0.005 0.000 0.744 348 L CB -0.915 41.144 42.059 0.000 0.000 0.895 348 L HN 0.103 nan 8.230 nan 0.000 0.433 349 A N -0.439 122.376 122.820 -0.008 0.000 1.978 349 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 349 A C 2.396 179.976 177.584 -0.007 0.000 1.170 349 A CA 1.884 53.914 52.037 -0.010 0.000 0.636 349 A CB -1.121 17.872 19.000 -0.011 0.000 0.810 349 A HN 0.611 nan 8.150 nan 0.000 0.448 350 A N -0.932 121.887 122.820 -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 -0.001 0.000 1.176 350 A CA 1.268 53.304 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 -0.260 120.963 121.223 0.000 0.000 1.988 351 L HA 0.018 4.358 4.340 -0.000 0.000 0.207 351 L C 1.993 178.857 176.870 -0.010 0.000 1.071 351 L CA 2.028 56.868 54.840 0.000 0.000 0.744 351 L CB -1.311 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 -0.497 122.313 122.820 -0.015 0.000 3.077 352 A HA 0.210 4.530 4.320 -0.000 0.000 0.255 352 A C 1.046 178.614 177.584 -0.027 0.000 1.728 352 A CA 0.348 52.367 52.037 -0.031 0.000 1.383 352 A CB -0.360 18.616 19.000 -0.039 0.000 1.097 352 A HN 0.632 nan 8.150 nan 0.000 0.634 353 E N -0.294 119.894 120.200 -0.021 0.000 3.258 353 E HA 0.398 4.748 4.350 -0.000 0.000 0.283 353 E C 0.492 177.084 176.600 -0.014 0.000 1.171 353 E CA 0.532 56.922 56.400 -0.016 0.000 1.987 353 E CB 0.095 29.789 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