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 4pbg_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTKTLPKDFI FGGATAAYQA EGATHTDGKG PVAWDKYLED NYWYTAEPAS DATA SEQUENCE DFYHKYPVDL ELAEEYGVNG IRISIAWSRI FPTGYGEVNE KGVEFYHKLF DATA SEQUENCE AECHKRHVEP FVTLHHFDTP EALHSNGDFL NRENIEHFID YAAFCFEEFP DATA SEQUENCE EVNYWTTFNE IGPIGDGQYL VGKFPPGIKY DLAKVFQSHH NMMVSHARAV DATA SEQUENCE KLYKDKGYKG EIGVVHALPT KYPYDPENPA DVRAAELEDI IHNKFILDAT DATA SEQUENCE YLGHYSDKTM EGVNHILAEN GGELDLRDED FQALDAAKDL NDFLGINYYM DATA SEQUENCE SDWMQAFDGE TEIIHNGKGE KGSSKYQIKG VGRRVAPDYV PRTDWDWIIY DATA SEQUENCE PEGLYDQIMR VKNDYPNYKK IYITCNGLGY KDEFVDNTVY DDGRIDYVKQ DATA SEQUENCE HLEVLSDAIA DGANVKGYFI WSLMDVFSWS NGYEKRYGLF YVDFDTQERY DATA SEQUENCE PKKSAHWYKK LAETQVIE 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 0.000 176.295 176.300 -0.008 0.000 1.140 1 M CA 0.000 55.296 55.300 -0.007 0.000 0.988 1 M CB 0.000 32.597 32.600 -0.006 0.000 1.302 2 T N -1.456 113.094 114.554 -0.008 0.000 2.849 2 T HA 0.728 5.078 4.350 -0.000 0.000 0.276 2 T C 0.196 174.887 174.700 -0.016 0.000 0.971 2 T CA -0.816 61.280 62.100 -0.007 0.000 0.949 2 T CB 1.313 70.182 68.868 0.001 0.000 1.093 2 T HN 0.069 nan 8.240 nan 0.000 0.545 3 K N 0.827 121.216 120.400 -0.019 0.000 2.138 3 K HA 0.568 4.888 4.320 -0.000 0.000 0.251 3 K C 0.297 176.871 176.600 -0.044 0.000 1.015 3 K CA -0.352 55.917 56.287 -0.030 0.000 0.917 3 K CB 0.660 33.140 32.500 -0.033 0.000 1.021 3 K HN 0.939 nan 8.250 nan 0.000 0.485 4 T N -1.449 113.073 114.554 -0.054 0.000 2.903 4 T HA 0.634 4.983 4.350 -0.000 0.000 0.299 4 T C -0.693 173.952 174.700 -0.092 0.000 1.093 4 T CA -1.035 61.025 62.100 -0.067 0.000 1.002 4 T CB 0.763 69.604 68.868 -0.045 0.000 1.127 4 T HN 0.228 nan 8.240 nan 0.000 0.488 5 L N 2.354 123.508 121.223 -0.114 0.000 2.334 5 L HA 0.569 4.909 4.340 -0.000 0.000 0.273 5 L C -2.043 174.787 176.870 -0.066 0.000 1.013 5 L CA -2.644 52.083 54.840 -0.189 0.000 0.816 5 L CB 1.883 43.722 42.059 -0.367 0.000 1.278 5 L HN 0.530 nan 8.230 nan 0.000 0.431 6 P HA -0.115 nan 4.420 nan 0.000 0.264 6 P C -0.085 177.276 177.300 0.102 0.000 1.179 6 P CA 0.076 63.210 63.100 0.058 0.000 0.763 6 P CB 0.830 32.596 31.700 0.110 0.000 0.806 7 K N 1.698 122.147 120.400 0.082 0.000 2.280 7 K HA -0.177 4.143 4.320 -0.000 0.000 0.202 7 K C 0.603 177.266 176.600 0.105 0.000 1.047 7 K CA 1.881 58.223 56.287 0.091 0.000 0.942 7 K CB -0.200 32.335 32.500 0.057 0.000 0.739 7 K HN 0.592 nan 8.250 nan 0.000 0.457 8 D N -1.400 119.057 120.400 0.094 0.000 2.525 8 D HA 0.022 4.662 4.640 -0.000 0.000 0.229 8 D C -0.184 176.132 176.300 0.027 0.000 1.202 8 D CA -0.539 53.500 54.000 0.064 0.000 0.828 8 D CB -0.178 40.654 40.800 0.053 0.000 1.008 8 D HN -0.066 nan 8.370 nan 0.000 0.493 9 F N 1.108 120.942 119.950 -0.192 0.000 2.389 9 F HA 0.386 4.912 4.527 -0.001 0.000 0.337 9 F C 0.185 175.566 175.800 -0.697 0.000 1.112 9 F CA -0.818 56.924 58.000 -0.430 0.000 1.192 9 F CB 0.709 39.377 39.000 -0.552 0.000 1.185 9 F HN -0.070 nan 8.300 nan 0.000 0.552 10 I N 6.226 126.231 120.570 -0.941 0.000 2.304 10 I HA 0.098 4.268 4.170 -0.000 0.000 0.291 10 I C -0.998 174.603 176.117 -0.860 0.000 1.018 10 I CA -0.342 60.496 61.300 -0.768 0.000 1.260 10 I CB 0.443 38.008 38.000 -0.725 0.000 1.390 10 I HN 0.399 nan 8.210 nan 0.000 0.475 11 F N 5.382 125.264 119.950 -0.115 0.000 2.344 11 F HA 0.434 4.961 4.527 -0.001 0.000 0.344 11 F C 0.971 176.803 175.800 0.054 0.000 1.140 11 F CA -0.589 57.428 58.000 0.029 0.000 1.256 11 F CB 0.563 39.507 39.000 -0.094 0.000 1.573 11 F HN 0.393 nan 8.300 nan 0.000 0.547 12 G N 0.043 108.747 108.800 -0.160 0.000 2.583 12 G HA2 0.687 4.647 3.960 -0.000 0.000 0.280 12 G HA3 0.687 4.647 3.960 -0.000 0.000 0.280 12 G C -0.380 174.571 174.900 0.084 0.000 1.376 12 G CA -0.680 44.340 45.100 -0.132 0.000 1.043 12 G HN 0.660 nan 8.290 nan 0.000 0.538 13 G N -2.105 106.776 108.800 0.136 0.000 2.605 13 G HA2 0.781 4.741 3.960 -0.000 0.000 0.296 13 G HA3 0.781 4.741 3.960 -0.000 0.000 0.296 13 G C -1.087 173.873 174.900 0.101 0.000 1.304 13 G CA 0.110 45.245 45.100 0.058 0.000 0.941 13 G HN 1.220 nan 8.290 nan 0.000 0.475 14 A N -0.117 122.673 122.820 -0.050 0.000 2.413 14 A HA 0.999 5.319 4.320 -0.000 0.000 0.307 14 A C 0.097 177.499 177.584 -0.303 0.000 1.087 14 A CA -0.010 52.007 52.037 -0.033 0.000 0.750 14 A CB 1.907 21.034 19.000 0.212 0.000 1.296 14 A HN 1.778 nan 8.150 nan 0.000 0.423 15 T N -2.321 112.132 114.554 -0.168 0.000 2.754 15 T HA 0.885 5.235 4.350 -0.000 0.000 0.296 15 T C -0.584 174.055 174.700 -0.101 0.000 1.205 15 T CA -0.180 61.720 62.100 -0.333 0.000 1.009 15 T CB 1.447 70.021 68.868 -0.490 0.000 1.368 15 T HN 2.283 nan 8.240 nan 0.000 0.509 16 A N -0.373 122.301 122.820 -0.244 0.000 2.488 16 A HA 0.888 5.208 4.320 -0.000 0.000 0.298 16 A C 1.009 178.458 177.584 -0.225 0.000 1.044 16 A CA -0.340 51.456 52.037 -0.402 0.000 0.693 16 A CB 1.107 19.696 19.000 -0.685 0.000 1.272 16 A HN 1.588 nan 8.150 nan 0.000 0.402 17 A N 1.274 124.066 122.820 -0.046 0.000 1.842 17 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 17 A C 1.847 179.468 177.584 0.062 0.000 1.206 17 A CA 2.412 54.527 52.037 0.130 0.000 0.630 17 A CB -1.324 17.834 19.000 0.263 0.000 0.839 17 A HN 1.498 nan 8.150 nan 0.000 0.447 18 Y N 0.814 121.072 120.300 -0.070 0.000 2.114 18 Y HA -0.308 4.241 4.550 -0.001 0.000 0.282 18 Y C 2.748 178.427 175.900 -0.367 0.000 1.165 18 Y CA 2.416 60.434 58.100 -0.137 0.000 1.148 18 Y CB -0.608 37.833 38.460 -0.033 0.000 0.972 18 Y HN 0.506 nan 8.280 nan 0.000 0.504 19 Q N -1.048 118.270 119.800 -0.803 0.000 2.096 19 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 19 Q C 2.442 178.020 176.000 -0.704 0.000 0.982 19 Q CA 1.626 56.665 55.803 -1.273 0.000 0.850 19 Q CB -0.340 27.616 28.738 -1.302 0.000 0.901 19 Q HN 0.574 nan 8.270 nan 0.000 0.422 20 A N 0.765 123.327 122.820 -0.430 0.000 1.871 20 A HA -0.103 4.217 4.320 -0.000 0.000 0.211 20 A C 1.811 179.395 177.584 -0.000 0.000 1.207 20 A CA 0.677 52.558 52.037 -0.261 0.000 0.620 20 A CB -0.328 18.415 19.000 -0.430 0.000 0.860 20 A HN 0.228 nan 8.150 nan 0.000 0.450 21 E N -0.583 119.676 120.200 0.097 0.000 2.026 21 E HA 0.097 4.446 4.350 -0.000 0.000 0.206 21 E C 1.357 178.012 176.600 0.092 0.000 1.028 21 E CA 1.070 57.587 56.400 0.196 0.000 0.845 21 E CB -0.337 29.452 29.700 0.148 0.000 0.772 21 E HN 0.798 nan 8.360 nan 0.000 0.462 22 G N -0.392 108.380 108.800 -0.047 0.000 2.527 22 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.227 22 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.227 22 G C 0.108 174.897 174.900 -0.185 0.000 1.291 22 G CA 0.017 45.065 45.100 -0.086 0.000 0.904 22 G HN 1.162 nan 8.290 nan 0.000 0.577 23 A N -1.906 120.795 122.820 -0.199 0.000 2.560 23 A HA 0.107 4.426 4.320 -0.000 0.000 0.299 23 A C 2.022 179.400 177.584 -0.343 0.000 1.484 23 A CA 2.639 54.469 52.037 -0.344 0.000 0.749 23 A CB -2.241 16.262 19.000 -0.830 0.000 1.072 23 A HN 2.782 nan 8.150 nan 0.000 0.426 24 T N -3.090 111.296 114.554 -0.280 0.000 3.035 24 T HA -0.028 4.322 4.350 -0.000 0.000 0.268 24 T C 0.859 175.231 174.700 -0.547 0.000 1.109 24 T CA 1.603 63.481 62.100 -0.369 0.000 1.119 24 T CB -0.224 68.410 68.868 -0.389 0.000 0.900 24 T HN 0.807 nan 8.240 nan 0.000 0.503 25 H N 0.077 119.115 119.070 -0.053 0.000 2.790 25 H HA 0.441 4.997 4.556 -0.001 0.000 0.232 25 H C -0.551 174.739 175.328 -0.063 0.000 1.313 25 H CA -0.437 55.588 56.048 -0.039 0.000 1.011 25 H CB 0.474 30.226 29.762 -0.017 0.000 2.105 25 H HN 0.213 nan 8.280 nan 0.000 0.580 26 T N 1.025 115.539 114.554 -0.068 0.000 2.893 26 T HA 0.184 4.534 4.350 -0.000 0.000 0.291 26 T C -0.589 174.048 174.700 -0.106 0.000 1.028 26 T CA -0.506 61.545 62.100 -0.083 0.000 0.995 26 T CB 1.459 70.247 68.868 -0.134 0.000 1.051 26 T HN 0.275 nan 8.240 nan 0.000 0.470 27 D N 1.928 122.318 120.400 -0.016 0.000 2.812 27 D HA -0.143 4.496 4.640 -0.000 0.000 0.237 27 D C 1.114 177.429 176.300 0.026 0.000 1.162 27 D CA 1.761 55.779 54.000 0.029 0.000 0.740 27 D CB -1.359 39.492 40.800 0.084 0.000 1.000 27 D HN 1.186 nan 8.370 nan 0.000 0.416 28 G N 0.243 109.060 108.800 0.029 0.000 2.212 28 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.267 28 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.267 28 G C 0.453 175.374 174.900 0.034 0.000 1.002 28 G CA 0.982 46.103 45.100 0.036 0.000 0.729 28 G HN 0.706 nan 8.290 nan 0.000 0.517 29 K N 0.727 121.135 120.400 0.013 0.000 2.451 29 K HA 0.438 4.758 4.320 -0.000 0.000 0.280 29 K C 1.188 177.811 176.600 0.039 0.000 1.020 29 K CA 0.319 56.615 56.287 0.014 0.000 1.008 29 K CB 0.030 32.500 32.500 -0.051 0.000 0.917 29 K HN 0.305 nan 8.250 nan 0.000 0.478 30 G N 4.703 113.526 108.800 0.038 0.000 2.448 30 G HA2 0.285 4.244 3.960 -0.000 0.000 0.285 30 G HA3 0.285 4.244 3.960 -0.000 0.000 0.285 30 G C -2.397 172.518 174.900 0.024 0.000 1.176 30 G CA -1.344 43.772 45.100 0.026 0.000 0.852 30 G HN 0.593 nan 8.290 nan 0.000 0.530 31 P HA 0.192 nan 4.420 nan 0.000 0.269 31 P C -0.458 176.826 177.300 -0.027 0.000 1.215 31 P CA -0.076 63.047 63.100 0.039 0.000 0.780 31 P CB 1.757 33.489 31.700 0.054 0.000 0.898 32 V N 1.670 121.560 119.914 -0.040 0.000 3.074 32 V HA 0.501 4.621 4.120 -0.000 0.000 0.314 32 V C 1.514 177.525 176.094 -0.139 0.000 1.117 32 V CA -0.050 62.183 62.300 -0.111 0.000 1.014 32 V CB 1.507 33.234 31.823 -0.160 0.000 1.057 32 V HN 0.668 nan 8.190 nan 0.000 0.438 33 A N 2.594 125.234 122.820 -0.300 0.000 1.948 33 A HA -0.191 4.128 4.320 -0.000 0.000 0.220 33 A C 1.421 178.807 177.584 -0.329 0.000 1.177 33 A CA 2.450 54.211 52.037 -0.460 0.000 0.636 33 A CB -0.945 17.426 19.000 -1.048 0.000 0.815 33 A HN 1.004 nan 8.150 nan 0.000 0.449 34 W N 0.445 121.604 121.300 -0.234 0.000 2.468 34 W HA -0.079 4.581 4.660 -0.001 0.000 0.262 34 W C 1.606 178.185 176.519 0.100 0.000 1.241 34 W CA 0.721 58.042 57.345 -0.039 0.000 1.232 34 W CB -0.217 29.206 29.460 -0.061 0.000 1.124 34 W HN 0.333 nan 8.180 nan 0.000 0.597 35 D N 0.313 120.855 120.400 0.237 0.000 2.084 35 D HA -0.181 4.458 4.640 -0.000 0.000 0.194 35 D C 1.984 178.391 176.300 0.177 0.000 0.990 35 D CA 1.475 55.617 54.000 0.236 0.000 0.826 35 D CB -0.333 40.581 40.800 0.189 0.000 0.971 35 D HN 0.028 nan 8.370 nan 0.000 0.453 36 K N -0.343 120.132 120.400 0.125 0.000 2.098 36 K HA -0.065 4.255 4.320 -0.000 0.000 0.203 36 K C 2.106 178.771 176.600 0.107 0.000 1.051 36 K CA 0.590 56.932 56.287 0.092 0.000 0.957 36 K CB -0.797 31.738 32.500 0.058 0.000 0.738 36 K HN 0.100 nan 8.250 nan 0.000 0.447 37 Y N 1.083 121.381 120.300 -0.004 0.000 2.070 37 Y HA -0.208 4.342 4.550 -0.000 0.000 0.280 37 Y C 1.724 177.702 175.900 0.130 0.000 1.148 37 Y CA 2.170 60.275 58.100 0.009 0.000 1.125 37 Y CB -0.224 38.162 38.460 -0.123 0.000 0.975 37 Y HN -0.023 nan 8.280 nan 0.000 0.492 38 L N -0.011 121.435 121.223 0.371 0.000 2.079 38 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 38 L C 2.492 179.384 176.870 0.036 0.000 1.081 38 L CA 1.898 56.877 54.840 0.232 0.000 0.752 38 L CB -0.616 41.461 42.059 0.030 0.000 0.896 38 L HN 0.369 nan 8.230 nan 0.000 0.433 39 E N 0.074 120.292 120.200 0.030 0.000 2.106 39 E HA -0.227 4.122 4.350 -0.000 0.000 0.192 39 E C 1.364 177.947 176.600 -0.028 0.000 0.984 39 E CA 1.395 57.792 56.400 -0.004 0.000 0.806 39 E CB 0.209 29.922 29.700 0.021 0.000 0.750 39 E HN 0.451 nan 8.360 nan 0.000 0.458 40 D N -0.675 119.682 120.400 -0.072 0.000 2.327 40 D HA 0.021 4.660 4.640 -0.000 0.000 0.205 40 D C 1.016 177.197 176.300 -0.199 0.000 0.989 40 D CA 0.501 54.427 54.000 -0.123 0.000 0.873 40 D CB 0.101 40.809 40.800 -0.152 0.000 0.955 40 D HN 0.225 nan 8.370 nan 0.000 0.515 41 N N -1.182 117.347 118.700 -0.285 0.000 2.257 41 N HA 0.034 4.774 4.740 -0.000 0.000 0.200 41 N C -0.209 175.044 175.510 -0.428 0.000 1.163 41 N CA 0.060 52.851 53.050 -0.432 0.000 0.891 41 N CB 1.347 39.331 38.487 -0.838 0.000 1.067 41 N HN 0.117 nan 8.380 nan 0.000 0.497 42 Y N -0.655 119.614 120.300 -0.051 0.000 2.753 42 Y HA 0.278 4.827 4.550 -0.000 0.000 0.324 42 Y C -0.106 175.839 175.900 0.074 0.000 1.147 42 Y CA -1.308 56.803 58.100 0.019 0.000 1.173 42 Y CB 0.451 38.624 38.460 -0.477 0.000 1.361 42 Y HN 0.043 nan 8.280 nan 0.000 0.545 43 W N 0.188 121.616 121.300 0.213 0.000 3.067 43 W HA 0.501 5.161 4.660 0.000 0.000 0.417 43 W C -1.421 175.249 176.519 0.252 0.000 1.029 43 W CA -0.758 56.712 57.345 0.209 0.000 1.992 43 W CB -0.215 29.405 29.460 0.266 0.000 1.122 43 W HN 0.325 nan 8.180 nan 0.000 0.681 44 Y N -1.043 119.153 120.300 -0.172 0.000 2.689 44 Y HA 0.818 5.368 4.550 -0.001 0.000 0.333 44 Y C -0.296 175.486 175.900 -0.196 0.000 1.208 44 Y CA -1.587 56.377 58.100 -0.228 0.000 1.055 44 Y CB 0.555 38.810 38.460 -0.342 0.000 1.304 44 Y HN -0.041 nan 8.280 nan 0.000 0.455 45 T N -2.429 112.033 114.554 -0.153 0.000 2.864 45 T HA 0.717 5.067 4.350 -0.000 0.000 0.289 45 T C 0.315 174.787 174.700 -0.379 0.000 1.082 45 T CA -0.564 61.400 62.100 -0.228 0.000 1.009 45 T CB 1.536 70.338 68.868 -0.111 0.000 1.234 45 T HN 1.321 nan 8.240 nan 0.000 0.526 46 A N -0.072 122.492 122.820 -0.425 0.000 2.261 46 A HA 0.290 4.610 4.320 -0.000 0.000 0.208 46 A C 0.535 177.948 177.584 -0.286 0.000 1.223 46 A CA 0.137 51.803 52.037 -0.619 0.000 0.833 46 A CB -0.498 18.035 19.000 -0.777 0.000 0.830 46 A HN 0.622 nan 8.150 nan 0.000 0.483 47 E N 0.108 120.212 120.200 -0.160 0.000 2.187 47 E HA 0.288 4.637 4.350 -0.000 0.000 0.268 47 E C -2.088 174.480 176.600 -0.053 0.000 0.896 47 E CA -1.793 54.562 56.400 -0.074 0.000 0.766 47 E CB 1.857 31.525 29.700 -0.053 0.000 1.142 47 E HN 0.128 nan 8.360 nan 0.000 0.408 48 P HA 0.103 nan 4.420 nan 0.000 0.251 48 P C 0.395 177.775 177.300 0.134 0.000 1.223 48 P CA 0.692 63.819 63.100 0.045 0.000 0.796 48 P CB 0.519 32.250 31.700 0.051 0.000 1.068 49 A N 0.833 123.813 122.820 0.268 0.000 5.821 49 A HA -0.202 4.118 4.320 -0.000 0.000 0.282 49 A C 1.221 179.055 177.584 0.415 0.000 2.032 49 A CA 1.425 53.670 52.037 0.347 0.000 0.715 49 A CB -2.229 16.865 19.000 0.157 0.000 1.178 49 A HN 0.231 nan 8.150 nan 0.000 0.370 50 S N 0.662 116.504 115.700 0.236 0.000 2.614 50 S HA 0.367 4.837 4.470 -0.000 0.000 0.230 50 S C 0.363 175.021 174.600 0.096 0.000 0.952 50 S CA 1.038 59.307 58.200 0.116 0.000 0.949 50 S CB 0.028 63.206 63.200 -0.036 0.000 0.786 50 S HN 1.180 nan 8.310 nan 0.000 0.478 51 D N 0.539 121.019 120.400 0.134 0.000 2.702 51 D HA -0.223 4.417 4.640 -0.000 0.000 0.233 51 D C 0.313 176.797 176.300 0.307 0.000 1.164 51 D CA 0.129 54.231 54.000 0.169 0.000 0.638 51 D CB -1.509 39.330 40.800 0.064 0.000 1.041 51 D HN 0.339 nan 8.370 nan 0.000 0.422 52 F N 0.021 120.050 119.950 0.132 0.000 2.202 52 F HA -0.178 4.348 4.527 -0.000 0.000 0.301 52 F C 1.779 177.813 175.800 0.390 0.000 1.082 52 F CA 1.376 59.487 58.000 0.186 0.000 1.313 52 F CB -0.661 38.413 39.000 0.123 0.000 1.024 52 F HN 0.337 nan 8.300 nan 0.000 0.495 53 Y N 0.012 120.472 120.300 0.266 0.000 2.241 53 Y HA -0.290 4.260 4.550 -0.000 0.000 0.286 53 Y C 2.384 178.429 175.900 0.241 0.000 1.166 53 Y CA 2.514 60.678 58.100 0.107 0.000 1.203 53 Y CB -0.418 38.000 38.460 -0.070 0.000 0.977 53 Y HN 0.285 nan 8.280 nan 0.000 0.529 54 H N -3.705 115.478 119.070 0.188 0.000 3.017 54 H HA 0.147 4.703 4.556 -0.000 0.000 0.255 54 H C 1.547 176.754 175.328 -0.202 0.000 0.990 54 H CA 0.166 56.210 56.048 -0.007 0.000 1.205 54 H CB 0.511 30.290 29.762 0.029 0.000 1.460 54 H HN 0.006 nan 8.280 nan 0.000 0.478 55 K N 1.526 121.960 120.400 0.057 0.000 2.243 55 K HA -0.037 4.283 4.320 -0.000 0.000 0.201 55 K C 1.699 178.206 176.600 -0.157 0.000 1.051 55 K CA 0.419 56.678 56.287 -0.046 0.000 0.970 55 K CB -0.543 32.002 32.500 0.075 0.000 0.755 55 K HN 0.372 nan 8.250 nan 0.000 0.465 56 Y N 0.405 120.578 120.300 -0.211 0.000 2.181 56 Y HA -0.226 4.323 4.550 -0.001 0.000 0.279 56 Y C -1.076 174.718 175.900 -0.176 0.000 1.228 56 Y CA 1.030 58.914 58.100 -0.359 0.000 1.164 56 Y CB -2.320 35.587 38.460 -0.922 0.000 0.959 56 Y HN 0.110 nan 8.280 nan 0.000 0.521 57 P HA -0.116 nan 4.420 nan 0.000 0.217 57 P C 1.919 179.117 177.300 -0.169 0.000 1.151 57 P CA 1.674 64.589 63.100 -0.308 0.000 0.828 57 P CB -0.033 31.422 31.700 -0.408 0.000 0.788 58 V N 1.612 121.421 119.914 -0.175 0.000 2.261 58 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 58 V C 2.379 178.394 176.094 -0.131 0.000 1.047 58 V CA 2.322 64.543 62.300 -0.133 0.000 1.015 58 V CB -1.298 30.446 31.823 -0.133 0.000 0.642 58 V HN 0.060 nan 8.190 nan 0.000 0.446 59 D N 0.121 120.465 120.400 -0.094 0.000 2.106 59 D HA -0.188 4.451 4.640 -0.000 0.000 0.191 59 D C 2.139 178.379 176.300 -0.100 0.000 0.997 59 D CA 1.503 55.434 54.000 -0.114 0.000 0.834 59 D CB -0.294 40.578 40.800 0.120 0.000 0.956 59 D HN 0.340 nan 8.370 nan 0.000 0.448 60 L N 0.674 121.898 121.223 0.001 0.000 2.083 60 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 60 L C 2.545 179.409 176.870 -0.011 0.000 1.083 60 L CA 1.002 55.851 54.840 0.014 0.000 0.752 60 L CB -0.335 41.750 42.059 0.043 0.000 0.899 60 L HN 0.045 nan 8.230 nan 0.000 0.433 61 E N 0.601 120.779 120.200 -0.037 0.000 2.051 61 E HA -0.224 4.125 4.350 -0.000 0.000 0.192 61 E C 2.340 178.944 176.600 0.006 0.000 0.991 61 E CA 1.104 57.491 56.400 -0.021 0.000 0.799 61 E CB -0.007 29.669 29.700 -0.040 0.000 0.748 61 E HN 0.422 nan 8.360 nan 0.000 0.449 62 L N 0.513 121.711 121.223 -0.042 0.000 1.994 62 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 62 L C 2.721 179.672 176.870 0.135 0.000 1.071 62 L CA 1.179 56.030 54.840 0.020 0.000 0.745 62 L CB -0.516 41.338 42.059 -0.341 0.000 0.892 62 L HN 0.212 nan 8.230 nan 0.000 0.431 63 A N -0.501 122.299 122.820 -0.033 0.000 1.986 63 A HA -0.300 4.020 4.320 -0.000 0.000 0.220 63 A C 2.301 180.006 177.584 0.202 0.000 1.171 63 A CA 2.214 54.319 52.037 0.113 0.000 0.640 63 A CB -0.566 18.461 19.000 0.046 0.000 0.811 63 A HN 0.540 nan 8.150 nan 0.000 0.451 64 E N -0.681 119.602 120.200 0.139 0.000 2.112 64 E HA -0.157 4.193 4.350 -0.000 0.000 0.190 64 E C 1.890 178.559 176.600 0.116 0.000 0.979 64 E CA 0.908 57.388 56.400 0.134 0.000 0.814 64 E CB -0.089 29.672 29.700 0.101 0.000 0.762 64 E HN 0.734 nan 8.360 nan 0.000 0.460 65 E N -0.677 119.587 120.200 0.107 0.000 2.153 65 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 65 E C 0.185 176.686 176.600 -0.164 0.000 0.988 65 E CA 0.894 57.275 56.400 -0.032 0.000 0.811 65 E CB 0.105 29.774 29.700 -0.051 0.000 0.746 65 E HN 0.303 nan 8.360 nan 0.000 0.466 66 Y N -0.525 119.853 120.300 0.129 0.000 2.833 66 Y HA 0.299 4.849 4.550 -0.000 0.000 0.339 66 Y C 1.004 176.983 175.900 0.132 0.000 1.032 66 Y CA -0.013 58.166 58.100 0.131 0.000 1.450 66 Y CB 0.827 39.416 38.460 0.215 0.000 1.296 66 Y HN 0.032 nan 8.280 nan 0.000 0.535 67 G N 0.396 109.295 108.800 0.164 0.000 2.296 67 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.282 67 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.282 67 G C -0.093 174.929 174.900 0.204 0.000 1.014 67 G CA 0.435 45.612 45.100 0.129 0.000 0.812 67 G HN 0.241 nan 8.290 nan 0.000 0.508 68 V N 1.405 121.479 119.914 0.267 0.000 2.389 68 V HA 0.261 4.381 4.120 -0.000 0.000 0.264 68 V C 0.979 177.192 176.094 0.198 0.000 1.049 68 V CA 0.012 62.485 62.300 0.288 0.000 0.932 68 V CB 1.229 33.227 31.823 0.292 0.000 1.011 68 V HN 0.576 nan 8.190 nan 0.000 0.475 69 N N 3.443 122.244 118.700 0.167 0.000 2.235 69 N HA 0.257 4.997 4.740 -0.000 0.000 0.209 69 N C 0.184 175.740 175.510 0.077 0.000 1.122 69 N CA 0.215 53.335 53.050 0.118 0.000 0.845 69 N CB 1.313 39.862 38.487 0.102 0.000 1.004 69 N HN 0.629 nan 8.380 nan 0.000 0.499 70 G N -0.277 108.559 108.800 0.060 0.000 2.692 70 G HA2 0.677 4.637 3.960 -0.000 0.000 0.291 70 G HA3 0.677 4.637 3.960 -0.000 0.000 0.291 70 G C -1.921 173.108 174.900 0.215 0.000 1.423 70 G CA -0.754 44.414 45.100 0.113 0.000 0.843 70 G HN 0.199 nan 8.290 nan 0.000 0.486 71 I N 0.014 120.789 120.570 0.342 0.000 2.702 71 I HA 0.431 4.600 4.170 -0.000 0.000 0.287 71 I C -0.764 175.446 176.117 0.155 0.000 1.342 71 I CA -0.802 60.643 61.300 0.241 0.000 1.063 71 I CB 1.611 39.697 38.000 0.143 0.000 1.331 71 I HN 0.504 nan 8.210 nan 0.000 0.427 72 R N 7.073 127.574 120.500 0.002 0.000 2.357 72 R HA 0.736 5.076 4.340 -0.000 0.000 0.296 72 R C -0.980 175.320 176.300 0.001 0.000 1.052 72 R CA -0.301 55.731 56.100 -0.114 0.000 0.988 72 R CB 1.480 31.611 30.300 -0.281 0.000 1.025 72 R HN 0.515 nan 8.270 nan 0.000 0.469 73 I N 0.297 120.889 120.570 0.038 0.000 2.994 73 I HA 0.248 4.418 4.170 -0.000 0.000 0.306 73 I C -0.561 175.623 176.117 0.113 0.000 1.195 73 I CA -0.657 60.709 61.300 0.109 0.000 1.001 73 I CB 2.653 40.774 38.000 0.200 0.000 1.244 73 I HN 0.671 nan 8.210 nan 0.000 0.437 74 S N 3.598 119.392 115.700 0.157 0.000 2.568 74 S HA 0.726 5.196 4.470 -0.000 0.000 0.293 74 S C -0.891 173.824 174.600 0.192 0.000 1.089 74 S CA -0.768 57.535 58.200 0.171 0.000 0.945 74 S CB 1.819 65.124 63.200 0.175 0.000 1.077 74 S HN 0.414 nan 8.310 nan 0.000 0.485 75 I N 1.953 122.596 120.570 0.120 0.000 2.331 75 I HA 0.443 4.612 4.170 -0.000 0.000 0.292 75 I C 0.572 176.816 176.117 0.212 0.000 0.998 75 I CA -0.718 60.514 61.300 -0.114 0.000 1.267 75 I CB 1.465 39.329 38.000 -0.227 0.000 1.386 75 I HN 0.923 nan 8.210 nan 0.000 0.476 76 A N 7.248 130.244 122.820 0.293 0.000 2.666 76 A HA -0.034 4.285 4.320 -0.000 0.000 0.301 76 A C 0.922 178.743 177.584 0.395 0.000 1.470 76 A CA -0.352 51.910 52.037 0.375 0.000 1.159 76 A CB -0.521 18.712 19.000 0.389 0.000 1.116 76 A HN 0.983 nan 8.150 nan 0.000 0.548 77 W N 3.232 124.609 121.300 0.128 0.000 2.279 77 W HA -0.322 4.337 4.660 -0.000 0.000 0.298 77 W C 1.758 178.273 176.519 -0.006 0.000 1.228 77 W CA 2.369 59.608 57.345 -0.178 0.000 1.230 77 W CB -0.702 28.500 29.460 -0.430 0.000 1.138 77 W HN 0.744 nan 8.180 nan 0.000 0.532 78 S N -0.855 114.984 115.700 0.231 0.000 2.650 78 S HA 0.120 4.590 4.470 -0.000 0.000 0.219 78 S C 1.684 176.371 174.600 0.145 0.000 0.960 78 S CA 0.354 58.613 58.200 0.097 0.000 0.925 78 S CB -0.026 63.177 63.200 0.006 0.000 0.775 78 S HN 0.375 nan 8.310 nan 0.000 0.525 79 R N -0.443 120.195 120.500 0.229 0.000 2.279 79 R HA 0.378 4.718 4.340 -0.000 0.000 0.195 79 R C 1.062 177.487 176.300 0.209 0.000 0.905 79 R CA 0.160 56.393 56.100 0.222 0.000 1.044 79 R CB 0.162 30.665 30.300 0.338 0.000 1.056 79 R HN 0.332 nan 8.270 nan 0.000 0.535 80 I N -0.532 120.159 120.570 0.202 0.000 2.512 80 I HA 0.058 4.228 4.170 -0.000 0.000 0.247 80 I C 0.149 176.072 176.117 -0.323 0.000 1.094 80 I CA 0.991 62.272 61.300 -0.031 0.000 1.427 80 I CB -0.209 37.803 38.000 0.021 0.000 1.149 80 I HN -0.106 nan 8.210 nan 0.000 0.438 81 F N 1.987 122.036 119.950 0.166 0.000 2.363 81 F HA 0.399 4.926 4.527 -0.001 0.000 0.366 81 F C -1.741 174.068 175.800 0.015 0.000 1.083 81 F CA -2.268 55.781 58.000 0.081 0.000 1.176 81 F CB 0.397 39.502 39.000 0.176 0.000 1.432 81 F HN -0.107 nan 8.300 nan 0.000 0.482 82 P HA -0.126 nan 4.420 nan 0.000 0.231 82 P C 0.918 178.190 177.300 -0.046 0.000 1.154 82 P CA 1.432 64.553 63.100 0.034 0.000 0.762 82 P CB 0.019 31.738 31.700 0.031 0.000 0.790 83 T N -8.020 106.481 114.554 -0.089 0.000 3.253 83 T HA 0.469 4.819 4.350 -0.000 0.000 0.299 83 T C 1.336 175.775 174.700 -0.435 0.000 0.927 83 T CA 0.267 62.212 62.100 -0.258 0.000 0.926 83 T CB 0.152 68.844 68.868 -0.293 0.000 1.183 83 T HN 0.157 nan 8.240 nan 0.000 0.557 84 G N 1.435 110.082 108.800 -0.255 0.000 2.284 84 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.230 84 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.230 84 G C -0.101 174.788 174.900 -0.019 0.000 1.021 84 G CA 0.569 45.556 45.100 -0.190 0.000 0.619 84 G HN 1.297 nan 8.290 nan 0.000 0.510 85 Y N -3.121 117.080 120.300 -0.165 0.000 2.713 85 Y HA 0.642 5.192 4.550 -0.000 0.000 0.335 85 Y C 1.001 176.817 175.900 -0.140 0.000 1.222 85 Y CA -0.265 57.593 58.100 -0.404 0.000 1.061 85 Y CB 0.659 38.808 38.460 -0.518 0.000 1.314 85 Y HN 1.898 nan 8.280 nan 0.000 0.453 86 G N 0.508 109.423 108.800 0.191 0.000 2.603 86 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.245 86 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.245 86 G C -0.535 174.517 174.900 0.255 0.000 1.195 86 G CA -0.009 45.222 45.100 0.219 0.000 0.953 86 G HN 0.871 nan 8.290 nan 0.000 0.566 87 E N 0.532 120.846 120.200 0.189 0.000 2.442 87 E HA 0.371 4.721 4.350 -0.000 0.000 0.262 87 E C 0.379 177.067 176.600 0.147 0.000 1.004 87 E CA 0.189 56.676 56.400 0.146 0.000 0.928 87 E CB 1.177 30.930 29.700 0.088 0.000 0.937 87 E HN 0.501 nan 8.360 nan 0.000 0.446 88 V N 3.646 123.570 119.914 0.017 0.000 2.612 88 V HA 0.126 4.246 4.120 -0.000 0.000 0.301 88 V C 0.350 176.393 176.094 -0.084 0.000 1.046 88 V CA -0.806 61.361 62.300 -0.221 0.000 0.946 88 V CB 1.703 33.337 31.823 -0.316 0.000 1.003 88 V HN 0.523 nan 8.190 nan 0.000 0.459 89 N N 2.283 120.927 118.700 -0.093 0.000 2.500 89 N HA 0.194 4.933 4.740 -0.000 0.000 0.236 89 N C 0.724 176.270 175.510 0.060 0.000 1.022 89 N CA -0.198 52.859 53.050 0.012 0.000 0.935 89 N CB 1.216 39.725 38.487 0.036 0.000 1.147 89 N HN 0.627 nan 8.380 nan 0.000 0.512 90 E N 2.549 122.793 120.200 0.074 0.000 2.035 90 E HA -0.223 4.127 4.350 -0.000 0.000 0.204 90 E C 1.002 177.684 176.600 0.137 0.000 1.025 90 E CA 1.777 58.242 56.400 0.107 0.000 0.835 90 E CB 0.107 29.859 29.700 0.086 0.000 0.764 90 E HN 0.577 nan 8.360 nan 0.000 0.457 91 K N -0.800 119.670 120.400 0.117 0.000 2.160 91 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 91 K C 2.061 178.768 176.600 0.178 0.000 1.047 91 K CA 1.093 57.458 56.287 0.130 0.000 0.930 91 K CB -0.396 32.169 32.500 0.108 0.000 0.720 91 K HN 0.276 nan 8.250 nan 0.000 0.450 92 G N 0.768 109.686 108.800 0.195 0.000 2.414 92 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.215 92 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.215 92 G C 1.542 176.688 174.900 0.411 0.000 1.188 92 G CA 0.714 45.983 45.100 0.283 0.000 0.783 92 G HN 0.106 nan 8.290 nan 0.000 0.537 93 V N 1.002 121.149 119.914 0.389 0.000 2.332 93 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 93 V C 2.574 178.904 176.094 0.392 0.000 1.055 93 V CA 2.311 64.902 62.300 0.485 0.000 1.038 93 V CB -0.513 31.539 31.823 0.381 0.000 0.651 93 V HN 0.611 nan 8.190 nan 0.000 0.450 94 E N -0.131 120.236 120.200 0.279 0.000 2.085 94 E HA -0.291 4.059 4.350 -0.000 0.000 0.194 94 E C 2.086 178.730 176.600 0.074 0.000 0.994 94 E CA 1.767 58.288 56.400 0.201 0.000 0.801 94 E CB -0.252 29.527 29.700 0.132 0.000 0.743 94 E HN 0.569 nan 8.360 nan 0.000 0.453 95 F N 0.350 120.210 119.950 -0.151 0.000 2.095 95 F HA -0.244 4.282 4.527 -0.000 0.000 0.298 95 F C 1.684 177.087 175.800 -0.661 0.000 1.104 95 F CA 1.656 59.372 58.000 -0.472 0.000 1.232 95 F CB -0.557 38.076 39.000 -0.612 0.000 0.987 95 F HN 0.079 nan 8.300 nan 0.000 0.475 96 Y N -0.408 119.565 120.300 -0.545 0.000 2.242 96 Y HA -0.210 4.340 4.550 -0.001 0.000 0.291 96 Y C 2.847 178.032 175.900 -1.191 0.000 1.137 96 Y CA 1.847 59.271 58.100 -1.126 0.000 1.181 96 Y CB -1.056 36.752 38.460 -1.087 0.000 0.989 96 Y HN 0.164 nan 8.280 nan 0.000 0.527 97 H N 0.403 119.317 119.070 -0.259 0.000 2.389 97 H HA -0.094 4.462 4.556 -0.000 0.000 0.299 97 H C 1.970 177.189 175.328 -0.181 0.000 1.081 97 H CA 1.306 57.346 56.048 -0.013 0.000 1.345 97 H CB 0.120 29.962 29.762 0.134 0.000 1.393 97 H HN 0.355 nan 8.280 nan 0.000 0.520 98 K N 0.301 120.560 120.400 -0.235 0.000 1.973 98 K HA -0.140 4.180 4.320 -0.000 0.000 0.212 98 K C 2.284 178.645 176.600 -0.398 0.000 1.047 98 K CA 0.941 57.066 56.287 -0.271 0.000 0.937 98 K CB -0.683 31.617 32.500 -0.333 0.000 0.721 98 K HN 0.041 nan 8.250 nan 0.000 0.440 99 L N 1.223 121.892 121.223 -0.924 0.000 1.991 99 L HA -0.243 4.097 4.340 -0.000 0.000 0.221 99 L C 2.291 178.964 176.870 -0.328 0.000 1.079 99 L CA 1.866 56.118 54.840 -0.981 0.000 0.778 99 L CB -0.689 40.519 42.059 -1.418 0.000 0.893 99 L HN 0.053 nan 8.230 nan 0.000 0.437 100 F N 0.084 119.866 119.950 -0.279 0.000 2.154 100 F HA -0.206 4.320 4.527 -0.001 0.000 0.301 100 F C 2.588 178.394 175.800 0.009 0.000 1.087 100 F CA 0.931 58.856 58.000 -0.126 0.000 1.274 100 F CB -1.853 37.140 39.000 -0.011 0.000 1.009 100 F HN 0.271 nan 8.300 nan 0.000 0.485 101 A N -0.260 122.687 122.820 0.212 0.000 1.902 101 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 101 A C 2.244 179.890 177.584 0.102 0.000 1.181 101 A CA 1.503 53.647 52.037 0.178 0.000 0.623 101 A CB -0.585 18.472 19.000 0.094 0.000 0.818 101 A HN 0.262 nan 8.150 nan 0.000 0.443 102 E N -0.362 119.860 120.200 0.037 0.000 2.153 102 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 102 E C 2.178 178.779 176.600 0.002 0.000 0.988 102 E CA 1.186 57.602 56.400 0.026 0.000 0.811 102 E CB -0.458 29.290 29.700 0.079 0.000 0.746 102 E HN 0.688 nan 8.360 nan 0.000 0.466 103 C N 0.297 119.587 119.300 -0.018 0.000 2.462 103 C HA -0.096 4.364 4.460 -0.000 0.000 0.278 103 C C 2.504 177.433 174.990 -0.101 0.000 1.253 103 C CA 0.372 59.344 59.018 -0.078 0.000 1.713 103 C CB -1.270 26.372 27.740 -0.163 0.000 2.049 103 C HN 0.494 nan 8.230 nan 0.000 0.477 104 H N 0.914 119.986 119.070 0.003 0.000 2.387 104 H HA -0.144 4.412 4.556 -0.000 0.000 0.299 104 H C 2.282 177.548 175.328 -0.103 0.000 1.099 104 H CA 1.765 57.805 56.048 -0.014 0.000 1.315 104 H CB -0.420 29.347 29.762 0.008 0.000 1.380 104 H HN 0.572 nan 8.280 nan 0.000 0.513 105 K N 0.895 121.295 120.400 0.001 0.000 2.057 105 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 105 K C 1.560 177.953 176.600 -0.345 0.000 1.049 105 K CA 0.924 57.135 56.287 -0.127 0.000 0.931 105 K CB 0.253 32.719 32.500 -0.057 0.000 0.714 105 K HN 0.008 nan 8.250 nan 0.000 0.440 106 R N 0.285 120.648 120.500 -0.229 0.000 2.335 106 R HA 0.037 4.377 4.340 -0.000 0.000 0.223 106 R C -0.392 175.821 176.300 -0.146 0.000 0.940 106 R CA 0.381 56.358 56.100 -0.205 0.000 1.086 106 R CB -0.760 29.509 30.300 -0.052 0.000 1.073 106 R HN 0.487 nan 8.270 nan 0.000 0.504 107 H N -2.448 116.658 119.070 0.060 0.000 2.958 107 H HA -0.128 4.428 4.556 -0.001 0.000 0.274 107 H C -0.523 174.838 175.328 0.056 0.000 1.184 107 H CA 0.487 56.574 56.048 0.065 0.000 1.143 107 H CB -1.799 28.001 29.762 0.063 0.000 1.297 107 H HN -0.096 nan 8.280 nan 0.000 0.356 108 V N 1.294 121.264 119.914 0.094 0.000 2.333 108 V HA 0.127 4.247 4.120 -0.000 0.000 0.274 108 V C 0.683 176.789 176.094 0.021 0.000 1.028 108 V CA -0.551 61.798 62.300 0.081 0.000 0.851 108 V CB 1.425 33.290 31.823 0.071 0.000 1.000 108 V HN 0.256 nan 8.190 nan 0.000 0.456 109 E N 8.892 129.136 120.200 0.072 0.000 2.299 109 E HA 0.182 4.531 4.350 -0.000 0.000 0.272 109 E C -2.322 174.304 176.600 0.044 0.000 1.043 109 E CA -1.570 54.851 56.400 0.034 0.000 0.895 109 E CB 0.828 30.603 29.700 0.126 0.000 1.011 109 E HN 0.415 nan 8.360 nan 0.000 0.432 110 P HA 0.098 nan 4.420 nan 0.000 0.282 110 P C -1.087 176.020 177.300 -0.321 0.000 1.262 110 P CA -0.133 62.851 63.100 -0.192 0.000 0.773 110 P CB 0.308 31.767 31.700 -0.401 0.000 0.879 111 F N 2.757 122.529 119.950 -0.297 0.000 2.361 111 F HA 0.231 4.758 4.527 -0.000 0.000 0.364 111 F C 0.398 176.006 175.800 -0.319 0.000 1.117 111 F CA -0.718 57.071 58.000 -0.353 0.000 1.071 111 F CB 1.383 40.063 39.000 -0.533 0.000 1.188 111 F HN 0.024 nan 8.300 nan 0.000 0.464 112 V N 2.892 122.604 119.914 -0.336 0.000 2.472 112 V HA 0.471 4.590 4.120 -0.000 0.000 0.290 112 V C 0.038 176.106 176.094 -0.043 0.000 1.037 112 V CA -0.563 61.560 62.300 -0.294 0.000 0.908 112 V CB 1.748 33.137 31.823 -0.723 0.000 0.985 112 V HN 0.700 nan 8.190 nan 0.000 0.454 113 T N 5.670 120.272 114.554 0.080 0.000 2.797 113 T HA 0.483 4.833 4.350 -0.000 0.000 0.279 113 T C 1.055 175.913 174.700 0.263 0.000 0.991 113 T CA -0.441 61.770 62.100 0.185 0.000 0.979 113 T CB 1.590 70.572 68.868 0.190 0.000 0.943 113 T HN 0.406 nan 8.240 nan 0.000 0.444 114 L N 1.328 122.740 121.223 0.315 0.000 2.179 114 L HA 0.126 4.465 4.340 -0.000 0.000 0.208 114 L C 1.183 178.411 176.870 0.596 0.000 1.096 114 L CA 0.919 55.998 54.840 0.398 0.000 0.779 114 L CB 0.004 42.190 42.059 0.211 0.000 0.922 114 L HN 0.648 nan 8.230 nan 0.000 0.443 115 H N -1.057 118.242 119.070 0.381 0.000 2.744 115 H HA 0.243 4.798 4.556 -0.000 0.000 0.339 115 H C -1.400 174.147 175.328 0.363 0.000 1.004 115 H CA -0.531 55.797 56.048 0.467 0.000 1.257 115 H CB 1.269 31.368 29.762 0.562 0.000 1.552 115 H HN 0.072 nan 8.280 nan 0.000 0.522 116 H N 6.603 125.588 119.070 -0.141 0.000 2.569 116 H HA 0.148 4.703 4.556 -0.001 0.000 0.247 116 H C -0.408 174.725 175.328 -0.326 0.000 1.346 116 H CA -0.397 55.486 56.048 -0.275 0.000 1.502 116 H CB -0.287 29.393 29.762 -0.137 0.000 1.512 116 H HN 0.608 nan 8.280 nan 0.000 0.502 117 F N 1.223 120.956 119.950 -0.362 0.000 3.069 117 F HA -0.279 4.248 4.527 -0.000 0.000 0.285 117 F C -0.100 175.584 175.800 -0.193 0.000 0.827 117 F CA 1.272 59.021 58.000 -0.419 0.000 1.108 117 F CB -2.083 36.292 39.000 -1.041 0.000 1.252 117 F HN 0.648 nan 8.300 nan 0.000 0.483 118 D N -1.081 119.311 120.400 -0.014 0.000 2.552 118 D HA 0.279 4.919 4.640 -0.000 0.000 0.285 118 D C -0.026 176.445 176.300 0.284 0.000 1.206 118 D CA -0.257 53.838 54.000 0.159 0.000 0.826 118 D CB 0.117 41.008 40.800 0.152 0.000 1.179 118 D HN -0.025 nan 8.370 nan 0.000 0.508 119 T N 2.057 116.859 114.554 0.413 0.000 2.919 119 T HA 0.286 4.635 4.350 -0.000 0.000 0.302 119 T C -2.331 172.284 174.700 -0.143 0.000 1.031 119 T CA -0.773 61.457 62.100 0.216 0.000 1.127 119 T CB 0.961 69.999 68.868 0.282 0.000 0.952 119 T HN 0.147 nan 8.240 nan 0.000 0.540 120 P HA 0.005 nan 4.420 nan 0.000 0.264 120 P C 1.052 178.207 177.300 -0.241 0.000 1.183 120 P CA 0.018 62.881 63.100 -0.396 0.000 0.763 120 P CB 0.488 31.810 31.700 -0.631 0.000 0.807 121 E N 3.879 123.987 120.200 -0.154 0.000 2.068 121 E HA -0.338 4.012 4.350 -0.000 0.000 0.207 121 E C 1.809 178.367 176.600 -0.069 0.000 1.032 121 E CA 2.342 58.682 56.400 -0.101 0.000 0.839 121 E CB -0.444 29.206 29.700 -0.084 0.000 0.758 121 E HN 0.480 nan 8.360 nan 0.000 0.457 122 A N 1.158 123.914 122.820 -0.107 0.000 1.940 122 A HA -0.226 4.093 4.320 -0.000 0.000 0.221 122 A C 2.411 179.943 177.584 -0.087 0.000 1.190 122 A CA 1.981 53.958 52.037 -0.100 0.000 0.647 122 A CB -0.794 18.115 19.000 -0.152 0.000 0.821 122 A HN 0.355 nan 8.150 nan 0.000 0.457 123 L N -2.241 118.901 121.223 -0.134 0.000 2.131 123 L HA -0.096 4.244 4.340 -0.000 0.000 0.206 123 L C 2.696 179.516 176.870 -0.084 0.000 1.087 123 L CA 1.199 55.975 54.840 -0.108 0.000 0.767 123 L CB -0.773 41.163 42.059 -0.204 0.000 0.917 123 L HN 0.600 nan 8.230 nan 0.000 0.441 124 H N 0.583 119.565 119.070 -0.148 0.000 2.293 124 H HA -0.123 4.433 4.556 -0.001 0.000 0.300 124 H C 2.132 177.419 175.328 -0.068 0.000 1.082 124 H CA 1.855 57.845 56.048 -0.096 0.000 1.308 124 H CB 0.286 29.983 29.762 -0.109 0.000 1.375 124 H HN 0.174 nan 8.280 nan 0.000 0.495 125 S N 0.451 116.219 115.700 0.114 0.000 2.537 125 S HA -0.125 4.344 4.470 -0.000 0.000 0.240 125 S C 1.355 175.946 174.600 -0.014 0.000 0.981 125 S CA 0.820 59.058 58.200 0.064 0.000 0.948 125 S CB -0.295 62.935 63.200 0.050 0.000 0.759 125 S HN 0.441 nan 8.310 nan 0.000 0.531 126 N N 0.044 118.717 118.700 -0.045 0.000 2.376 126 N HA 0.329 5.068 4.740 -0.000 0.000 0.249 126 N C 0.799 176.260 175.510 -0.081 0.000 1.140 126 N CA 0.417 53.438 53.050 -0.048 0.000 0.870 126 N CB 0.183 38.655 38.487 -0.025 0.000 1.124 126 N HN 0.295 nan 8.380 nan 0.000 0.505 127 G N 0.187 108.919 108.800 -0.114 0.000 2.176 127 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.232 127 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.232 127 G C 0.368 175.178 174.900 -0.149 0.000 0.986 127 G CA 0.139 45.166 45.100 -0.122 0.000 0.643 127 G HN 0.553 nan 8.290 nan 0.000 0.522 128 D N -1.185 119.083 120.400 -0.220 0.000 3.608 128 D HA -0.255 4.385 4.640 -0.000 0.000 0.152 128 D C 0.885 177.095 176.300 -0.151 0.000 0.971 128 D CA 2.259 56.142 54.000 -0.196 0.000 1.072 128 D CB -1.278 39.393 40.800 -0.214 0.000 0.507 128 D HN 0.517 nan 8.370 nan 0.000 0.520 129 F N -0.043 119.882 119.950 -0.042 0.000 2.797 129 F HA 0.327 4.854 4.527 -0.001 0.000 0.302 129 F C 1.825 177.602 175.800 -0.039 0.000 1.130 129 F CA -0.066 57.911 58.000 -0.037 0.000 1.387 129 F CB 0.085 39.040 39.000 -0.075 0.000 1.107 129 F HN 0.137 nan 8.300 nan 0.000 0.577 130 L N -0.745 120.518 121.223 0.067 0.000 2.240 130 L HA -0.076 4.264 4.340 -0.000 0.000 0.211 130 L C 0.992 177.846 176.870 -0.026 0.000 1.106 130 L CA 0.436 55.274 54.840 -0.004 0.000 0.793 130 L CB -0.302 41.698 42.059 -0.098 0.000 0.927 130 L HN 0.003 nan 8.230 nan 0.000 0.446 131 N N 0.907 119.570 118.700 -0.060 0.000 2.401 131 N HA 0.027 4.766 4.740 -0.000 0.000 0.255 131 N C 0.892 176.345 175.510 -0.096 0.000 1.110 131 N CA 0.247 53.248 53.050 -0.082 0.000 0.949 131 N CB 0.823 39.245 38.487 -0.108 0.000 1.110 131 N HN 0.029 nan 8.380 nan 0.000 0.490 132 R N 2.171 122.635 120.500 -0.060 0.000 2.249 132 R HA -0.107 4.233 4.340 -0.000 0.000 0.230 132 R C 1.032 177.263 176.300 -0.115 0.000 1.121 132 R CA 1.106 57.174 56.100 -0.053 0.000 0.997 132 R CB 0.216 30.506 30.300 -0.017 0.000 0.867 132 R HN 0.687 nan 8.270 nan 0.000 0.465 133 E N 0.284 120.380 120.200 -0.173 0.000 2.072 133 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 133 E C 1.336 177.589 176.600 -0.579 0.000 0.985 133 E CA 0.910 57.131 56.400 -0.298 0.000 0.801 133 E CB 0.012 29.558 29.700 -0.257 0.000 0.750 133 E HN 0.319 nan 8.360 nan 0.000 0.452 134 N N 0.690 119.098 118.700 -0.487 0.000 2.453 134 N HA -0.079 4.661 4.740 -0.000 0.000 0.183 134 N C 1.633 176.982 175.510 -0.269 0.000 1.041 134 N CA 0.608 53.371 53.050 -0.478 0.000 0.900 134 N CB -0.066 38.129 38.487 -0.486 0.000 0.961 134 N HN 0.223 nan 8.380 nan 0.000 0.443 135 I N 0.911 121.387 120.570 -0.157 0.000 2.226 135 I HA -0.216 3.953 4.170 -0.000 0.000 0.245 135 I C 1.967 178.184 176.117 0.166 0.000 1.100 135 I CA 1.032 62.398 61.300 0.110 0.000 1.374 135 I CB -0.094 37.973 38.000 0.111 0.000 1.057 135 I HN 0.046 nan 8.210 nan 0.000 0.413 136 E N 0.357 120.573 120.200 0.026 0.000 2.038 136 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 136 E C 2.154 178.870 176.600 0.192 0.000 1.000 136 E CA 1.486 57.928 56.400 0.071 0.000 0.803 136 E CB -0.733 28.977 29.700 0.017 0.000 0.750 136 E HN 0.539 nan 8.360 nan 0.000 0.448 137 H N -0.395 118.748 119.070 0.122 0.000 2.426 137 H HA -0.135 4.421 4.556 -0.001 0.000 0.298 137 H C 1.855 177.299 175.328 0.192 0.000 1.107 137 H CA 1.048 57.221 56.048 0.209 0.000 1.298 137 H CB -0.730 29.270 29.762 0.396 0.000 1.377 137 H HN 0.173 nan 8.280 nan 0.000 0.519 138 F N 0.744 120.801 119.950 0.178 0.000 2.074 138 F HA -0.077 4.450 4.527 -0.000 0.000 0.293 138 F C 2.241 177.973 175.800 -0.114 0.000 1.116 138 F CA 0.724 58.676 58.000 -0.079 0.000 1.212 138 F CB -0.639 38.507 39.000 0.244 0.000 0.998 138 F HN -0.032 nan 8.300 nan 0.000 0.471 139 I N 1.038 121.580 120.570 -0.047 0.000 2.194 139 I HA -0.348 3.822 4.170 -0.000 0.000 0.246 139 I C 1.974 177.902 176.117 -0.315 0.000 1.093 139 I CA 1.814 62.986 61.300 -0.212 0.000 1.355 139 I CB -0.712 37.279 38.000 -0.015 0.000 1.046 139 I HN 0.156 nan 8.210 nan 0.000 0.413 140 D N -0.920 119.369 120.400 -0.184 0.000 2.117 140 D HA -0.231 4.409 4.640 -0.000 0.000 0.198 140 D C 2.012 178.176 176.300 -0.226 0.000 0.982 140 D CA 1.168 55.066 54.000 -0.169 0.000 0.828 140 D CB -0.429 40.301 40.800 -0.117 0.000 0.967 140 D HN 0.428 nan 8.370 nan 0.000 0.464 141 Y N 1.426 121.442 120.300 -0.473 0.000 2.242 141 Y HA -0.073 4.476 4.550 -0.000 0.000 0.291 141 Y C 2.072 177.663 175.900 -0.516 0.000 1.137 141 Y CA 1.334 59.157 58.100 -0.462 0.000 1.181 141 Y CB -0.373 37.505 38.460 -0.969 0.000 0.989 141 Y HN -0.063 nan 8.280 nan 0.000 0.527 142 A N 0.968 123.101 122.820 -1.145 0.000 1.855 142 A HA -0.027 4.293 4.320 -0.000 0.000 0.215 142 A C 2.504 179.132 177.584 -1.594 0.000 1.191 142 A CA 1.898 52.984 52.037 -1.585 0.000 0.613 142 A CB -1.610 16.452 19.000 -1.565 0.000 0.829 142 A HN 0.611 nan 8.150 nan 0.000 0.442 143 A N -1.048 121.174 122.820 -0.996 0.000 1.917 143 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 143 A C 2.060 179.453 177.584 -0.318 0.000 1.182 143 A CA 1.893 53.599 52.037 -0.553 0.000 0.633 143 A CB -0.814 18.049 19.000 -0.229 0.000 0.819 143 A HN 0.723 nan 8.150 nan 0.000 0.448 144 F N 0.447 120.197 119.950 -0.333 0.000 2.046 144 F HA -0.256 4.270 4.527 -0.000 0.000 0.297 144 F C 2.572 178.253 175.800 -0.200 0.000 1.123 144 F CA 1.914 59.834 58.000 -0.133 0.000 1.199 144 F CB -0.845 38.222 39.000 0.112 0.000 0.972 144 F HN 0.302 nan 8.300 nan 0.000 0.474 145 C N 0.506 119.682 119.300 -0.206 0.000 2.413 145 C HA -0.207 4.253 4.460 -0.000 0.000 0.277 145 C C 2.731 177.635 174.990 -0.143 0.000 1.265 145 C CA 0.668 59.635 59.018 -0.085 0.000 1.752 145 C CB -1.717 25.908 27.740 -0.192 0.000 1.998 145 C HN 0.510 nan 8.230 nan 0.000 0.489 146 F N 1.284 120.827 119.950 -0.679 0.000 2.102 146 F HA -0.098 4.429 4.527 -0.001 0.000 0.298 146 F C 2.413 177.899 175.800 -0.522 0.000 1.105 146 F CA 1.899 59.355 58.000 -0.906 0.000 1.239 146 F CB -1.464 36.884 39.000 -1.088 0.000 0.991 146 F HN 0.260 nan 8.300 nan 0.000 0.474 147 E N 0.529 120.660 120.200 -0.114 0.000 2.047 147 E HA -0.237 4.112 4.350 -0.000 0.000 0.191 147 E C 2.080 178.602 176.600 -0.130 0.000 0.987 147 E CA 1.545 57.953 56.400 0.014 0.000 0.799 147 E CB -0.205 29.456 29.700 -0.066 0.000 0.752 147 E HN 0.236 nan 8.360 nan 0.000 0.449 148 E N -0.926 119.022 120.200 -0.419 0.000 2.150 148 E HA -0.070 4.279 4.350 -0.000 0.000 0.193 148 E C -0.210 176.066 176.600 -0.540 0.000 0.985 148 E CA 0.735 56.746 56.400 -0.649 0.000 0.814 148 E CB -0.062 28.881 29.700 -1.262 0.000 0.752 148 E HN 0.258 nan 8.360 nan 0.000 0.466 149 F N 1.016 121.070 119.950 0.172 0.000 2.366 149 F HA 0.323 4.850 4.527 -0.000 0.000 0.328 149 F C -1.750 174.240 175.800 0.316 0.000 1.180 149 F CA -2.342 55.852 58.000 0.323 0.000 1.232 149 F CB 1.394 40.652 39.000 0.431 0.000 1.513 149 F HN 0.023 nan 8.300 nan 0.000 0.540 150 P HA -0.101 nan 4.420 nan 0.000 0.234 150 P C 0.587 177.999 177.300 0.187 0.000 1.167 150 P CA 0.973 64.222 63.100 0.248 0.000 0.763 150 P CB 0.296 32.090 31.700 0.157 0.000 0.835 151 E N -0.321 120.014 120.200 0.225 0.000 2.268 151 E HA -0.024 4.326 4.350 -0.000 0.000 0.195 151 E C 0.571 177.212 176.600 0.068 0.000 0.995 151 E CA 0.431 56.912 56.400 0.135 0.000 0.836 151 E CB -0.365 29.510 29.700 0.291 0.000 0.763 151 E HN 0.120 nan 8.360 nan 0.000 0.491 152 V N 2.673 122.541 119.914 -0.077 0.000 2.406 152 V HA 0.059 4.179 4.120 -0.000 0.000 0.272 152 V C 0.702 176.646 176.094 -0.250 0.000 1.043 152 V CA -0.376 61.689 62.300 -0.392 0.000 0.915 152 V CB 1.344 32.579 31.823 -0.979 0.000 0.988 152 V HN 0.204 nan 8.190 nan 0.000 0.466 153 N N 2.942 121.454 118.700 -0.314 0.000 2.373 153 N HA 0.075 4.815 4.740 -0.000 0.000 0.181 153 N C -0.577 174.511 175.510 -0.702 0.000 1.082 153 N CA 0.600 53.402 53.050 -0.414 0.000 0.885 153 N CB 0.450 38.650 38.487 -0.478 0.000 0.977 153 N HN 0.667 nan 8.380 nan 0.000 0.462 154 Y N -0.722 119.244 120.300 -0.556 0.000 2.329 154 Y HA 0.340 4.890 4.550 -0.000 0.000 0.328 154 Y C -0.890 174.672 175.900 -0.564 0.000 0.992 154 Y CA -1.054 56.732 58.100 -0.523 0.000 1.151 154 Y CB 0.812 38.638 38.460 -1.057 0.000 1.150 154 Y HN -0.134 nan 8.280 nan 0.000 0.450 155 W N 1.632 122.867 121.300 -0.108 0.000 2.689 155 W HA 0.695 5.355 4.660 -0.001 0.000 0.340 155 W C -0.523 175.965 176.519 -0.052 0.000 1.060 155 W CA -0.757 56.480 57.345 -0.179 0.000 1.218 155 W CB 2.306 31.459 29.460 -0.512 0.000 1.410 155 W HN 0.418 nan 8.180 nan 0.000 0.528 156 T N -2.406 112.308 114.554 0.267 0.000 2.893 156 T HA 0.441 4.790 4.350 -0.000 0.000 0.293 156 T C 0.530 175.340 174.700 0.184 0.000 1.027 156 T CA -0.250 61.957 62.100 0.178 0.000 0.988 156 T CB 1.655 70.637 68.868 0.190 0.000 1.043 156 T HN 0.506 nan 8.240 nan 0.000 0.461 157 T N 0.439 115.080 114.554 0.145 0.000 2.739 157 T HA 0.296 4.646 4.350 -0.000 0.000 0.246 157 T C 0.224 174.881 174.700 -0.072 0.000 1.058 157 T CA 0.267 62.402 62.100 0.059 0.000 1.184 157 T CB -0.583 68.331 68.868 0.077 0.000 0.887 157 T HN 0.519 nan 8.240 nan 0.000 0.408 158 F N 1.887 121.959 119.950 0.203 0.000 2.470 158 F HA 0.588 5.115 4.527 -0.000 0.000 0.329 158 F C 0.158 175.977 175.800 0.033 0.000 1.072 158 F CA -1.497 56.580 58.000 0.128 0.000 0.989 158 F CB 1.204 40.208 39.000 0.006 0.000 1.193 158 F HN 0.231 nan 8.300 nan 0.000 0.481 159 N N 1.266 120.062 118.700 0.160 0.000 2.444 159 N HA 0.236 4.976 4.740 -0.000 0.000 0.262 159 N C -1.380 174.093 175.510 -0.063 0.000 0.974 159 N CA -0.239 52.752 53.050 -0.100 0.000 0.933 159 N CB 0.400 38.593 38.487 -0.491 0.000 1.137 159 N HN 0.650 nan 8.380 nan 0.000 0.498 160 E N 2.773 123.010 120.200 0.062 0.000 2.414 160 E HA -0.235 4.115 4.350 -0.000 0.000 0.173 160 E C 0.431 177.126 176.600 0.159 0.000 1.551 160 E CA 0.105 56.594 56.400 0.150 0.000 0.661 160 E CB -0.941 28.876 29.700 0.195 0.000 1.108 160 E HN 0.704 nan 8.360 nan 0.000 0.365 161 I N 0.288 120.885 120.570 0.046 0.000 2.179 161 I HA -0.212 3.958 4.170 -0.000 0.000 0.242 161 I C 2.601 178.593 176.117 -0.208 0.000 1.088 161 I CA 1.639 62.867 61.300 -0.121 0.000 1.357 161 I CB -0.469 37.381 38.000 -0.250 0.000 1.051 161 I HN 0.551 nan 8.210 nan 0.000 0.409 162 G N 2.061 110.685 108.800 -0.293 0.000 2.545 162 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.217 162 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.217 162 G C -0.719 174.186 174.900 0.007 0.000 1.218 162 G CA 0.864 45.815 45.100 -0.248 0.000 0.787 162 G HN 0.286 nan 8.290 nan 0.000 0.571 163 P HA -0.011 nan 4.420 nan 0.000 0.226 163 P C 1.674 178.882 177.300 -0.153 0.000 1.146 163 P CA 0.463 63.544 63.100 -0.031 0.000 0.773 163 P CB 0.093 31.843 31.700 0.083 0.000 0.772 164 I N -1.246 119.281 120.570 -0.071 0.000 2.296 164 I HA -0.022 4.147 4.170 -0.000 0.000 0.242 164 I C 2.349 178.374 176.117 -0.154 0.000 1.087 164 I CA 1.673 62.905 61.300 -0.114 0.000 1.393 164 I CB -1.692 36.307 38.000 -0.001 0.000 1.093 164 I HN -0.001 nan 8.210 nan 0.000 0.421 165 G N 0.532 109.337 108.800 0.009 0.000 2.422 165 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.218 165 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.218 165 G C 1.324 176.153 174.900 -0.119 0.000 1.146 165 G CA 1.250 46.368 45.100 0.030 0.000 0.769 165 G HN 0.427 nan 8.290 nan 0.000 0.547 166 D N 0.221 120.572 120.400 -0.083 0.000 2.088 166 D HA -0.026 4.614 4.640 -0.000 0.000 0.191 166 D C 2.603 178.727 176.300 -0.293 0.000 0.992 166 D CA 1.795 55.727 54.000 -0.112 0.000 0.831 166 D CB -0.660 40.136 40.800 -0.008 0.000 0.973 166 D HN 0.173 nan 8.370 nan 0.000 0.447 167 G N -1.039 107.423 108.800 -0.563 0.000 2.509 167 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 167 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 167 G C 1.557 176.095 174.900 -0.604 0.000 1.124 167 G CA 0.586 45.137 45.100 -0.916 0.000 0.776 167 G HN 0.336 nan 8.290 nan 0.000 0.547 168 Q N -1.651 117.829 119.800 -0.534 0.000 2.324 168 Q HA 0.118 4.458 4.340 -0.000 0.000 0.207 168 Q C 1.390 176.991 176.000 -0.665 0.000 0.928 168 Q CA 0.555 55.957 55.803 -0.668 0.000 0.890 168 Q CB 0.297 28.434 28.738 -1.002 0.000 1.001 168 Q HN 0.564 nan 8.270 nan 0.000 0.517 169 Y N -1.861 118.346 120.300 -0.156 0.000 2.430 169 Y HA 0.161 4.711 4.550 -0.001 0.000 0.254 169 Y C 1.128 176.927 175.900 -0.169 0.000 1.088 169 Y CA -0.233 57.773 58.100 -0.158 0.000 1.267 169 Y CB 0.385 38.749 38.460 -0.160 0.000 1.204 169 Y HN 0.080 nan 8.280 nan 0.000 0.515 170 L N -1.256 119.932 121.223 -0.058 0.000 2.347 170 L HA 0.169 4.509 4.340 -0.000 0.000 0.196 170 L C 1.752 178.586 176.870 -0.060 0.000 1.072 170 L CA 0.998 55.814 54.840 -0.040 0.000 0.817 170 L CB -0.330 41.718 42.059 -0.019 0.000 1.029 170 L HN -0.095 nan 8.230 nan 0.000 0.478 171 V N -0.089 119.771 119.914 -0.090 0.000 2.878 171 V HA 0.287 4.406 4.120 -0.000 0.000 0.250 171 V C 1.617 177.633 176.094 -0.131 0.000 1.075 171 V CA 0.842 63.104 62.300 -0.064 0.000 1.096 171 V CB -0.762 31.017 31.823 -0.073 0.000 0.724 171 V HN 0.655 nan 8.190 nan 0.000 0.467 172 G N 1.629 110.320 108.800 -0.182 0.000 2.176 172 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.252 172 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.252 172 G C 0.744 175.617 174.900 -0.045 0.000 1.024 172 G CA 0.828 45.846 45.100 -0.136 0.000 0.755 172 G HN 0.669 nan 8.290 nan 0.000 0.507 173 K N -1.547 118.787 120.400 -0.110 0.000 2.352 173 K HA 0.483 4.803 4.320 -0.000 0.000 0.194 173 K C 0.355 177.111 176.600 0.260 0.000 1.038 173 K CA -0.079 56.255 56.287 0.078 0.000 1.023 173 K CB 0.563 32.995 32.500 -0.112 0.000 0.840 173 K HN 0.165 nan 8.250 nan 0.000 0.519 174 F N 2.228 122.018 119.950 -0.267 0.000 2.458 174 F HA 0.468 4.995 4.527 -0.000 0.000 0.330 174 F C -2.377 172.866 175.800 -0.928 0.000 1.082 174 F CA -3.738 53.886 58.000 -0.626 0.000 0.995 174 F CB 1.068 39.740 39.000 -0.547 0.000 1.170 174 F HN -0.253 nan 8.300 nan 0.000 0.478 175 P HA 0.071 nan 4.420 nan 0.000 0.267 175 P C -1.974 175.083 177.300 -0.404 0.000 1.200 175 P CA -0.816 61.607 63.100 -1.128 0.000 0.772 175 P CB 0.198 31.148 31.700 -1.249 0.000 0.855 176 P HA -0.042 nan 4.420 nan 0.000 0.242 176 P C 0.633 177.934 177.300 0.001 0.000 1.197 176 P CA 0.919 63.991 63.100 -0.047 0.000 0.765 176 P CB -0.281 31.460 31.700 0.068 0.000 0.936 177 G N 0.380 109.122 108.800 -0.097 0.000 2.212 177 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.255 177 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.255 177 G C 0.000 174.898 174.900 -0.004 0.000 1.062 177 G CA -0.400 44.730 45.100 0.050 0.000 0.815 177 G HN 0.326 nan 8.290 nan 0.000 0.497 178 I N -0.248 120.302 120.570 -0.034 0.000 2.612 178 I HA 0.426 4.595 4.170 -0.000 0.000 0.295 178 I C 0.621 176.658 176.117 -0.134 0.000 1.011 178 I CA -0.197 61.085 61.300 -0.030 0.000 1.326 178 I CB 1.242 39.298 38.000 0.094 0.000 1.427 178 I HN 0.033 nan 8.210 nan 0.000 0.537 179 K N 4.850 125.104 120.400 -0.244 0.000 2.371 179 K HA 0.400 4.720 4.320 -0.000 0.000 0.251 179 K C -1.066 175.261 176.600 -0.454 0.000 0.934 179 K CA -0.702 55.252 56.287 -0.554 0.000 0.798 179 K CB 1.789 33.668 32.500 -1.034 0.000 1.204 179 K HN 0.443 nan 8.250 nan 0.000 0.427 180 Y N -1.460 118.815 120.300 -0.041 0.000 4.753 180 Y HA -0.281 4.269 4.550 -0.001 0.000 0.232 180 Y C 0.074 175.929 175.900 -0.075 0.000 1.029 180 Y CA 0.366 58.424 58.100 -0.069 0.000 1.996 180 Y CB -2.287 36.136 38.460 -0.062 0.000 1.602 180 Y HN 0.755 nan 8.280 nan 0.000 0.621 181 D N 1.303 121.718 120.400 0.024 0.000 2.551 181 D HA 0.234 4.874 4.640 -0.000 0.000 0.223 181 D C 0.982 177.227 176.300 -0.093 0.000 1.144 181 D CA -0.054 53.926 54.000 -0.033 0.000 1.025 181 D CB 0.030 40.790 40.800 -0.066 0.000 1.085 181 D HN 0.295 nan 8.370 nan 0.000 0.506 182 L N 1.938 123.100 121.223 -0.100 0.000 2.549 182 L HA -0.089 4.251 4.340 -0.000 0.000 0.229 182 L C 2.295 179.075 176.870 -0.150 0.000 1.158 182 L CA 0.750 55.475 54.840 -0.193 0.000 0.842 182 L CB -0.087 41.877 42.059 -0.158 0.000 0.952 182 L HN 0.323 nan 8.230 nan 0.000 0.452 183 A N -0.779 121.978 122.820 -0.106 0.000 1.878 183 A HA -0.096 4.223 4.320 -0.000 0.000 0.213 183 A C 2.336 179.831 177.584 -0.148 0.000 1.192 183 A CA 0.900 52.888 52.037 -0.081 0.000 0.619 183 A CB -0.158 18.795 19.000 -0.077 0.000 0.837 183 A HN 0.267 nan 8.150 nan 0.000 0.446 184 K N -0.195 120.060 120.400 -0.241 0.000 2.026 184 K HA -0.069 4.250 4.320 -0.000 0.000 0.208 184 K C 1.937 178.338 176.600 -0.331 0.000 1.048 184 K CA 1.358 57.397 56.287 -0.415 0.000 0.929 184 K CB -0.483 31.557 32.500 -0.767 0.000 0.713 184 K HN 0.246 nan 8.250 nan 0.000 0.439 185 V N 1.196 120.947 119.914 -0.272 0.000 2.220 185 V HA -0.292 3.828 4.120 -0.000 0.000 0.250 185 V C 2.139 177.846 176.094 -0.646 0.000 1.056 185 V CA 2.003 64.065 62.300 -0.398 0.000 1.016 185 V CB -0.526 30.941 31.823 -0.592 0.000 0.639 185 V HN 0.172 nan 8.190 nan 0.000 0.446 186 F N -0.173 119.429 119.950 -0.580 0.000 2.202 186 F HA -0.204 4.323 4.527 -0.000 0.000 0.301 186 F C 2.482 178.129 175.800 -0.256 0.000 1.082 186 F CA 1.895 59.505 58.000 -0.650 0.000 1.313 186 F CB -0.801 37.757 39.000 -0.737 0.000 1.024 186 F HN 0.190 nan 8.300 nan 0.000 0.495 187 Q N 0.013 119.826 119.800 0.021 0.000 2.016 187 Q HA -0.165 4.175 4.340 -0.000 0.000 0.200 187 Q C 2.546 178.650 176.000 0.172 0.000 0.978 187 Q CA 2.188 58.050 55.803 0.099 0.000 0.833 187 Q CB -0.799 27.936 28.738 -0.005 0.000 0.895 187 Q HN 0.219 nan 8.270 nan 0.000 0.427 188 S N -0.987 114.770 115.700 0.095 0.000 2.383 188 S HA -0.215 4.255 4.470 -0.000 0.000 0.229 188 S C 1.668 176.414 174.600 0.242 0.000 1.030 188 S CA 1.402 59.703 58.200 0.168 0.000 1.002 188 S CB -0.395 62.962 63.200 0.262 0.000 0.829 188 S HN 0.578 nan 8.310 nan 0.000 0.467 189 H N -0.522 118.631 119.070 0.138 0.000 2.387 189 H HA 0.013 4.568 4.556 -0.001 0.000 0.299 189 H C 1.993 177.479 175.328 0.264 0.000 1.090 189 H CA 1.762 57.928 56.048 0.196 0.000 1.332 189 H CB -0.865 29.126 29.762 0.381 0.000 1.386 189 H HN 0.712 nan 8.280 nan 0.000 0.516 190 H N 0.276 119.609 119.070 0.439 0.000 2.343 190 H HA -0.027 4.529 4.556 -0.001 0.000 0.303 190 H C 1.880 177.280 175.328 0.121 0.000 1.068 190 H CA 1.328 57.561 56.048 0.308 0.000 1.359 190 H CB 0.172 30.158 29.762 0.374 0.000 1.402 190 H HN 0.075 nan 8.280 nan 0.000 0.515 191 N N 0.154 118.881 118.700 0.045 0.000 2.058 191 N HA -0.143 4.597 4.740 -0.000 0.000 0.191 191 N C 1.994 177.447 175.510 -0.095 0.000 1.037 191 N CA 1.663 54.697 53.050 -0.027 0.000 0.848 191 N CB -0.301 38.253 38.487 0.111 0.000 1.021 191 N HN 0.412 nan 8.380 nan 0.000 0.422 192 M N -0.265 119.210 119.600 -0.208 0.000 2.080 192 M HA -0.118 4.361 4.480 -0.000 0.000 0.260 192 M C 1.847 177.868 176.300 -0.465 0.000 1.068 192 M CA 1.259 56.163 55.300 -0.660 0.000 1.109 192 M CB -0.221 31.811 32.600 -0.945 0.000 1.342 192 M HN 0.144 nan 8.290 nan 0.000 0.405 193 M N -0.430 119.021 119.600 -0.248 0.000 2.213 193 M HA -0.131 4.348 4.480 -0.000 0.000 0.263 193 M C 2.124 178.397 176.300 -0.045 0.000 1.062 193 M CA 1.272 56.507 55.300 -0.108 0.000 1.105 193 M CB -0.827 31.718 32.600 -0.091 0.000 1.385 193 M HN 0.163 nan 8.290 nan 0.000 0.417 194 V N -0.337 119.485 119.914 -0.153 0.000 2.358 194 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 194 V C 2.347 178.469 176.094 0.047 0.000 1.047 194 V CA 1.742 63.970 62.300 -0.121 0.000 1.035 194 V CB -0.808 30.879 31.823 -0.227 0.000 0.658 194 V HN 0.426 nan 8.190 nan 0.000 0.452 195 S N -0.686 115.081 115.700 0.111 0.000 2.383 195 S HA -0.302 4.168 4.470 -0.000 0.000 0.229 195 S C 1.872 176.724 174.600 0.420 0.000 1.030 195 S CA 2.179 60.563 58.200 0.306 0.000 1.002 195 S CB -0.474 62.934 63.200 0.347 0.000 0.829 195 S HN 0.876 nan 8.310 nan 0.000 0.467 196 H N 1.774 121.046 119.070 0.336 0.000 2.276 196 H HA 0.125 4.681 4.556 -0.000 0.000 0.301 196 H C 2.208 177.623 175.328 0.145 0.000 1.073 196 H CA 1.596 57.826 56.048 0.304 0.000 1.311 196 H CB -0.765 29.158 29.762 0.269 0.000 1.379 196 H HN 0.246 nan 8.280 nan 0.000 0.494 197 A N 1.088 123.960 122.820 0.087 0.000 1.940 197 A HA -0.305 4.014 4.320 -0.000 0.000 0.221 197 A C 2.448 180.005 177.584 -0.045 0.000 1.190 197 A CA 2.232 54.259 52.037 -0.017 0.000 0.647 197 A CB -0.738 18.275 19.000 0.023 0.000 0.821 197 A HN 0.578 nan 8.150 nan 0.000 0.457 198 R N -1.016 119.497 120.500 0.022 0.000 2.062 198 R HA -0.021 4.318 4.340 -0.000 0.000 0.231 198 R C 2.581 178.897 176.300 0.028 0.000 1.136 198 R CA 1.226 57.347 56.100 0.036 0.000 0.948 198 R CB -0.518 29.826 30.300 0.073 0.000 0.845 198 R HN 0.514 nan 8.270 nan 0.000 0.430 199 A N 0.580 123.428 122.820 0.047 0.000 1.978 199 A HA -0.150 4.169 4.320 -0.000 0.000 0.220 199 A C 2.260 179.886 177.584 0.070 0.000 1.170 199 A CA 1.652 53.711 52.037 0.037 0.000 0.636 199 A CB -0.636 18.377 19.000 0.022 0.000 0.810 199 A HN 0.258 nan 8.150 nan 0.000 0.448 200 V N -0.183 119.671 119.914 -0.100 0.000 2.379 200 V HA -0.166 3.954 4.120 -0.000 0.000 0.245 200 V C 2.420 178.509 176.094 -0.008 0.000 1.044 200 V CA 2.840 65.066 62.300 -0.123 0.000 1.036 200 V CB -0.408 31.226 31.823 -0.315 0.000 0.664 200 V HN 0.621 nan 8.190 nan 0.000 0.453 201 K N 0.451 120.843 120.400 -0.012 0.000 2.009 201 K HA -0.208 4.112 4.320 -0.000 0.000 0.210 201 K C 2.049 178.679 176.600 0.050 0.000 1.049 201 K CA 2.618 58.914 56.287 0.015 0.000 0.929 201 K CB -0.967 31.539 32.500 0.011 0.000 0.714 201 K HN 0.511 nan 8.250 nan 0.000 0.440 202 L N -0.336 120.934 121.223 0.079 0.000 1.989 202 L HA -0.205 4.135 4.340 -0.000 0.000 0.211 202 L C 2.265 179.250 176.870 0.192 0.000 1.071 202 L CA 1.823 56.737 54.840 0.123 0.000 0.749 202 L CB -0.533 41.600 42.059 0.124 0.000 0.890 202 L HN 0.377 nan 8.230 nan 0.000 0.431 203 Y N 0.366 120.699 120.300 0.055 0.000 2.256 203 Y HA -0.275 4.275 4.550 -0.000 0.000 0.288 203 Y C 2.356 178.244 175.900 -0.021 0.000 1.155 203 Y CA 1.629 59.645 58.100 -0.140 0.000 1.203 203 Y CB 0.023 38.115 38.460 -0.614 0.000 0.980 203 Y HN 0.111 nan 8.280 nan 0.000 0.530 204 K N 0.025 120.463 120.400 0.064 0.000 2.044 204 K HA -0.093 4.226 4.320 -0.000 0.000 0.204 204 K C 1.677 178.249 176.600 -0.046 0.000 1.049 204 K CA 1.309 57.592 56.287 -0.006 0.000 0.945 204 K CB -0.634 31.883 32.500 0.029 0.000 0.724 204 K HN 0.336 nan 8.250 nan 0.000 0.440 205 D N 1.415 121.805 120.400 -0.016 0.000 2.103 205 D HA -0.140 4.500 4.640 -0.000 0.000 0.190 205 D C 1.273 177.525 176.300 -0.081 0.000 0.997 205 D CA 1.269 55.248 54.000 -0.034 0.000 0.833 205 D CB -0.114 40.681 40.800 -0.008 0.000 0.961 205 D HN 0.164 nan 8.370 nan 0.000 0.447 206 K N 0.538 120.891 120.400 -0.079 0.000 2.643 206 K HA 0.097 4.417 4.320 -0.000 0.000 0.193 206 K C 0.790 177.146 176.600 -0.406 0.000 1.027 206 K CA 0.349 56.511 56.287 -0.209 0.000 1.033 206 K CB -0.317 32.097 32.500 -0.143 0.000 0.827 206 K HN 0.155 nan 8.250 nan 0.000 0.500 207 G N 1.982 110.616 108.800 -0.277 0.000 2.385 207 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.284 207 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.284 207 G C -0.396 174.260 174.900 -0.407 0.000 0.899 207 G CA 0.278 45.202 45.100 -0.292 0.000 1.204 207 G HN 0.302 nan 8.290 nan 0.000 0.486 208 Y N -0.655 119.297 120.300 -0.581 0.000 2.314 208 Y HA 0.311 4.861 4.550 -0.000 0.000 0.334 208 Y C 1.910 177.555 175.900 -0.425 0.000 1.266 208 Y CA -0.119 57.623 58.100 -0.597 0.000 1.391 208 Y CB 0.759 38.587 38.460 -1.054 0.000 1.306 208 Y HN 0.337 nan 8.280 nan 0.000 0.558 209 K N 0.132 120.496 120.400 -0.060 0.000 2.057 209 K HA 0.058 4.378 4.320 -0.000 0.000 0.206 209 K C 1.182 177.788 176.600 0.011 0.000 1.050 209 K CA 1.021 57.290 56.287 -0.030 0.000 0.935 209 K CB -0.869 31.617 32.500 -0.023 0.000 0.715 209 K HN 0.640 nan 8.250 nan 0.000 0.439 210 G N 0.461 109.322 108.800 0.101 0.000 2.481 210 G HA2 0.174 4.134 3.960 -0.000 0.000 0.251 210 G HA3 0.174 4.134 3.960 -0.000 0.000 0.251 210 G C -0.864 174.114 174.900 0.129 0.000 1.492 210 G CA -0.593 44.527 45.100 0.033 0.000 1.060 210 G HN 0.289 nan 8.290 nan 0.000 0.553 211 E N -1.242 118.978 120.200 0.032 0.000 2.212 211 E HA 0.480 4.829 4.350 -0.000 0.000 0.268 211 E C -1.368 175.323 176.600 0.152 0.000 0.902 211 E CA -0.588 55.927 56.400 0.190 0.000 0.779 211 E CB 2.739 32.662 29.700 0.371 0.000 1.172 211 E HN 0.235 nan 8.360 nan 0.000 0.409 212 I N 1.435 121.998 120.570 -0.011 0.000 2.465 212 I HA 0.635 4.804 4.170 -0.000 0.000 0.291 212 I C -0.355 175.529 176.117 -0.389 0.000 1.014 212 I CA -0.022 61.125 61.300 -0.255 0.000 1.093 212 I CB 1.572 39.253 38.000 -0.532 0.000 1.267 212 I HN 0.585 nan 8.210 nan 0.000 0.431 213 G N 5.525 113.957 108.800 -0.614 0.000 2.721 213 G HA2 0.667 4.626 3.960 -0.000 0.000 0.296 213 G HA3 0.667 4.626 3.960 -0.000 0.000 0.296 213 G C -1.747 172.929 174.900 -0.374 0.000 1.383 213 G CA -0.597 43.971 45.100 -0.887 0.000 0.788 213 G HN 0.570 nan 8.290 nan 0.000 0.500 214 V N -1.100 118.601 119.914 -0.354 0.000 2.815 214 V HA 0.742 4.862 4.120 -0.000 0.000 0.314 214 V C -0.409 175.540 176.094 -0.243 0.000 1.064 214 V CA -1.002 61.099 62.300 -0.332 0.000 0.952 214 V CB 1.784 33.148 31.823 -0.764 0.000 1.020 214 V HN 0.527 nan 8.190 nan 0.000 0.439 215 V N 3.155 122.967 119.914 -0.171 0.000 2.304 215 V HA 0.442 4.562 4.120 -0.000 0.000 0.278 215 V C -0.722 175.374 176.094 0.004 0.000 1.018 215 V CA -0.277 62.000 62.300 -0.037 0.000 0.814 215 V CB 0.528 32.364 31.823 0.022 0.000 1.021 215 V HN 0.856 nan 8.190 nan 0.000 0.440 216 H N 2.814 121.909 119.070 0.042 0.000 2.472 216 H HA 0.718 5.274 4.556 -0.000 0.000 0.338 216 H C 0.241 175.604 175.328 0.058 0.000 1.133 216 H CA -0.602 55.461 56.048 0.025 0.000 1.216 216 H CB 2.074 31.843 29.762 0.012 0.000 1.497 216 H HN 0.657 nan 8.280 nan 0.000 0.500 217 A N 3.659 126.588 122.820 0.182 0.000 2.276 217 A HA 0.475 4.794 4.320 -0.000 0.000 0.300 217 A C -0.215 177.437 177.584 0.113 0.000 1.235 217 A CA -0.505 51.615 52.037 0.138 0.000 0.867 217 A CB -0.169 18.896 19.000 0.108 0.000 1.137 217 A HN 0.633 nan 8.150 nan 0.000 0.527 218 L N 5.298 126.612 121.223 0.152 0.000 2.529 218 L HA 0.289 4.628 4.340 -0.000 0.000 0.246 218 L C -2.379 174.598 176.870 0.179 0.000 1.394 218 L CA -1.517 53.410 54.840 0.145 0.000 0.906 218 L CB 1.598 43.753 42.059 0.160 0.000 1.170 218 L HN 0.501 nan 8.230 nan 0.000 0.501 219 P HA 0.091 nan 4.420 nan 0.000 0.276 219 P C -0.156 177.128 177.300 -0.027 0.000 1.243 219 P CA -0.024 63.044 63.100 -0.054 0.000 0.768 219 P CB 0.926 32.494 31.700 -0.221 0.000 0.856 220 T N 4.537 119.121 114.554 0.051 0.000 2.916 220 T HA 0.140 4.490 4.350 -0.000 0.000 0.303 220 T C 0.423 174.876 174.700 -0.412 0.000 1.025 220 T CA -0.145 61.846 62.100 -0.180 0.000 1.142 220 T CB 0.120 68.883 68.868 -0.174 0.000 0.947 220 T HN 0.231 nan 8.240 nan 0.000 0.544 221 K N 2.982 123.108 120.400 -0.458 0.000 2.307 221 K HA 0.420 4.740 4.320 -0.000 0.000 0.263 221 K C -1.169 175.127 176.600 -0.505 0.000 0.973 221 K CA -0.532 55.523 56.287 -0.386 0.000 0.846 221 K CB 1.351 33.752 32.500 -0.164 0.000 1.100 221 K HN 0.568 nan 8.250 nan 0.000 0.438 222 Y N 2.439 122.514 120.300 -0.374 0.000 2.468 222 Y HA 0.363 4.913 4.550 -0.000 0.000 0.342 222 Y C -2.000 173.830 175.900 -0.117 0.000 1.021 222 Y CA -2.402 55.505 58.100 -0.321 0.000 1.079 222 Y CB 1.753 39.801 38.460 -0.686 0.000 1.226 222 Y HN 0.420 nan 8.280 nan 0.000 0.460 223 P HA 0.025 nan 4.420 nan 0.000 0.279 223 P C 0.034 177.558 177.300 0.374 0.000 1.239 223 P CA -0.150 63.095 63.100 0.243 0.000 0.789 223 P CB 1.322 33.136 31.700 0.190 0.000 0.933 224 Y N 2.590 123.054 120.300 0.273 0.000 2.097 224 Y HA -0.174 4.376 4.550 -0.001 0.000 0.282 224 Y C 0.797 176.810 175.900 0.188 0.000 1.152 224 Y CA 1.985 60.255 58.100 0.284 0.000 1.136 224 Y CB -0.122 38.445 38.460 0.179 0.000 0.975 224 Y HN 0.309 nan 8.280 nan 0.000 0.498 225 D N 0.222 120.761 120.400 0.233 0.000 2.446 225 D HA 0.209 4.849 4.640 -0.000 0.000 0.251 225 D C -1.890 174.481 176.300 0.118 0.000 1.137 225 D CA -2.688 51.374 54.000 0.104 0.000 0.890 225 D CB 1.203 42.084 40.800 0.134 0.000 1.071 225 D HN -0.000 nan 8.370 nan 0.000 0.528 226 P HA -0.231 nan 4.420 nan 0.000 0.217 226 P C 0.674 178.025 177.300 0.085 0.000 1.148 226 P CA 1.235 64.395 63.100 0.101 0.000 0.834 226 P CB 0.450 32.202 31.700 0.086 0.000 0.783 227 E N -0.979 119.263 120.200 0.071 0.000 2.274 227 E HA -0.062 4.287 4.350 -0.000 0.000 0.194 227 E C 1.035 177.676 176.600 0.069 0.000 0.996 227 E CA 0.109 56.546 56.400 0.062 0.000 0.840 227 E CB -0.294 29.436 29.700 0.050 0.000 0.772 227 E HN 0.159 nan 8.360 nan 0.000 0.491 228 N N 0.848 119.599 118.700 0.085 0.000 2.406 228 N HA 0.048 4.788 4.740 -0.000 0.000 0.251 228 N C -2.126 173.439 175.510 0.092 0.000 1.069 228 N CA -2.013 51.090 53.050 0.088 0.000 0.947 228 N CB 1.245 39.796 38.487 0.107 0.000 1.111 228 N HN -0.206 nan 8.380 nan 0.000 0.497 229 P HA -0.061 nan 4.420 nan 0.000 0.219 229 P C 0.691 178.041 177.300 0.084 0.000 1.146 229 P CA 0.943 64.088 63.100 0.075 0.000 0.808 229 P CB 0.310 32.046 31.700 0.060 0.000 0.779 230 A N -0.367 122.504 122.820 0.086 0.000 1.969 230 A HA -0.187 4.132 4.320 -0.000 0.000 0.218 230 A C 1.937 179.589 177.584 0.114 0.000 1.169 230 A CA 1.826 53.919 52.037 0.093 0.000 0.635 230 A CB -1.116 17.934 19.000 0.084 0.000 0.810 230 A HN 0.076 nan 8.150 nan 0.000 0.445 231 D N -0.395 120.082 120.400 0.127 0.000 2.137 231 D HA -0.051 4.589 4.640 -0.000 0.000 0.202 231 D C 2.157 178.543 176.300 0.143 0.000 0.970 231 D CA 1.222 55.315 54.000 0.156 0.000 0.837 231 D CB -0.389 40.527 40.800 0.192 0.000 0.981 231 D HN 0.179 nan 8.370 nan 0.000 0.475 232 V N 1.498 121.487 119.914 0.125 0.000 2.231 232 V HA -0.245 3.874 4.120 -0.000 0.000 0.248 232 V C 2.621 178.777 176.094 0.103 0.000 1.054 232 V CA 1.500 63.866 62.300 0.110 0.000 1.015 232 V CB -0.426 31.454 31.823 0.095 0.000 0.638 232 V HN 0.129 nan 8.190 nan 0.000 0.444 233 R N 0.147 120.709 120.500 0.103 0.000 2.103 233 R HA -0.202 4.138 4.340 -0.000 0.000 0.242 233 R C 2.314 178.681 176.300 0.112 0.000 1.142 233 R CA 2.046 58.210 56.100 0.107 0.000 0.960 233 R CB -1.033 29.335 30.300 0.113 0.000 0.858 233 R HN 0.555 nan 8.270 nan 0.000 0.439 234 A N 0.237 123.127 122.820 0.118 0.000 1.877 234 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 234 A C 2.378 180.028 177.584 0.110 0.000 1.186 234 A CA 2.054 54.163 52.037 0.119 0.000 0.620 234 A CB -0.732 18.349 19.000 0.136 0.000 0.822 234 A HN 0.428 nan 8.150 nan 0.000 0.443 235 A N -0.437 122.446 122.820 0.105 0.000 1.930 235 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 235 A C 2.026 179.650 177.584 0.066 0.000 1.175 235 A CA 1.812 53.894 52.037 0.075 0.000 0.627 235 A CB -0.553 18.482 19.000 0.060 0.000 0.815 235 A HN 0.699 nan 8.150 nan 0.000 0.443 236 E N -0.005 120.241 120.200 0.077 0.000 2.058 236 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 236 E C 1.906 178.560 176.600 0.091 0.000 0.997 236 E CA 1.336 57.783 56.400 0.080 0.000 0.801 236 E CB -0.234 29.517 29.700 0.085 0.000 0.746 236 E HN 0.621 nan 8.360 nan 0.000 0.450 237 L N 0.443 121.720 121.223 0.090 0.000 2.093 237 L HA -0.147 4.192 4.340 -0.000 0.000 0.208 237 L C 2.691 179.617 176.870 0.093 0.000 1.085 237 L CA 1.334 56.221 54.840 0.078 0.000 0.755 237 L CB -0.422 41.654 42.059 0.029 0.000 0.904 237 L HN 0.224 nan 8.230 nan 0.000 0.435 238 E N 0.939 121.204 120.200 0.109 0.000 2.051 238 E HA -0.295 4.054 4.350 -0.000 0.000 0.192 238 E C 1.700 178.411 176.600 0.185 0.000 0.991 238 E CA 1.938 58.436 56.400 0.164 0.000 0.799 238 E CB -0.126 29.668 29.700 0.157 0.000 0.748 238 E HN 0.453 nan 8.360 nan 0.000 0.449 239 D N -0.573 119.900 120.400 0.123 0.000 2.144 239 D HA -0.139 4.501 4.640 -0.000 0.000 0.199 239 D C 1.941 178.329 176.300 0.145 0.000 0.984 239 D CA 1.597 55.665 54.000 0.113 0.000 0.834 239 D CB -0.155 40.683 40.800 0.063 0.000 0.955 239 D HN 0.349 nan 8.370 nan 0.000 0.465 240 I N 0.280 120.940 120.570 0.150 0.000 2.226 240 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 240 I C 2.209 178.469 176.117 0.238 0.000 1.100 240 I CA 0.780 62.200 61.300 0.201 0.000 1.374 240 I CB -0.187 37.923 38.000 0.182 0.000 1.057 240 I HN 0.200 nan 8.210 nan 0.000 0.413 241 I N -0.195 120.434 120.570 0.098 0.000 2.252 241 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 241 I C 2.205 178.151 176.117 -0.285 0.000 1.102 241 I CA 1.680 62.858 61.300 -0.203 0.000 1.385 241 I CB -0.460 37.252 38.000 -0.480 0.000 1.064 241 I HN 0.288 nan 8.210 nan 0.000 0.414 242 H N -0.497 118.614 119.070 0.069 0.000 2.516 242 H HA 0.111 4.666 4.556 -0.000 0.000 0.284 242 H C 1.609 176.947 175.328 0.017 0.000 0.999 242 H CA 0.637 56.708 56.048 0.038 0.000 1.303 242 H CB 0.327 30.078 29.762 -0.017 0.000 1.452 242 H HN 0.261 nan 8.280 nan 0.000 0.530 243 N N -0.536 118.252 118.700 0.147 0.000 3.170 243 N HA 0.014 4.753 4.740 -0.000 0.000 0.235 243 N C 1.454 177.036 175.510 0.120 0.000 1.037 243 N CA 0.048 53.152 53.050 0.090 0.000 1.160 243 N CB 0.135 38.678 38.487 0.095 0.000 1.606 243 N HN -0.045 nan 8.380 nan 0.000 0.580 244 K N 1.117 121.629 120.400 0.185 0.000 2.077 244 K HA -0.160 4.159 4.320 -0.000 0.000 0.213 244 K C 1.933 178.700 176.600 0.277 0.000 1.051 244 K CA 1.116 57.547 56.287 0.239 0.000 0.929 244 K CB -0.637 32.013 32.500 0.251 0.000 0.715 244 K HN 0.081 nan 8.250 nan 0.000 0.451 245 F N 1.743 121.793 119.950 0.167 0.000 2.043 245 F HA -0.266 4.261 4.527 -0.000 0.000 0.297 245 F C 2.257 178.194 175.800 0.228 0.000 1.118 245 F CA 1.580 59.686 58.000 0.177 0.000 1.202 245 F CB -0.511 38.609 39.000 0.200 0.000 0.965 245 F HN -0.063 nan 8.300 nan 0.000 0.482 246 I N -0.374 120.303 120.570 0.178 0.000 2.113 246 I HA -0.352 3.818 4.170 -0.000 0.000 0.238 246 I C 2.507 178.551 176.117 -0.121 0.000 1.070 246 I CA 1.468 62.728 61.300 -0.066 0.000 1.332 246 I CB -0.739 37.070 38.000 -0.318 0.000 1.044 246 I HN 0.178 nan 8.210 nan 0.000 0.402 247 L N 0.510 121.652 121.223 -0.134 0.000 1.997 247 L HA -0.337 4.003 4.340 -0.000 0.000 0.216 247 L C 2.219 178.955 176.870 -0.224 0.000 1.074 247 L CA 1.816 56.533 54.840 -0.205 0.000 0.763 247 L CB -0.706 41.183 42.059 -0.283 0.000 0.890 247 L HN 0.278 nan 8.230 nan 0.000 0.434 248 D N -0.430 119.943 120.400 -0.044 0.000 2.149 248 D HA -0.230 4.410 4.640 -0.000 0.000 0.194 248 D C 2.135 178.382 176.300 -0.087 0.000 1.001 248 D CA 1.593 55.626 54.000 0.055 0.000 0.849 248 D CB -0.159 40.748 40.800 0.178 0.000 0.939 248 D HN 0.421 nan 8.370 nan 0.000 0.449 249 A N -0.289 122.457 122.820 -0.122 0.000 1.930 249 A HA -0.130 4.189 4.320 -0.000 0.000 0.217 249 A C 2.235 179.712 177.584 -0.178 0.000 1.175 249 A CA 1.814 53.726 52.037 -0.208 0.000 0.627 249 A CB -0.725 18.191 19.000 -0.140 0.000 0.815 249 A HN 0.233 nan 8.150 nan 0.000 0.443 250 T N -1.989 112.435 114.554 -0.218 0.000 3.035 250 T HA -0.005 4.345 4.350 -0.000 0.000 0.268 250 T C 0.952 175.244 174.700 -0.680 0.000 1.109 250 T CA 1.580 63.416 62.100 -0.442 0.000 1.119 250 T CB -0.260 68.293 68.868 -0.524 0.000 0.900 250 T HN 0.665 nan 8.240 nan 0.000 0.503 251 Y N -1.423 118.824 120.300 -0.087 0.000 2.589 251 Y HA 0.424 4.974 4.550 -0.001 0.000 0.274 251 Y C 1.623 177.523 175.900 0.000 0.000 1.177 251 Y CA -0.559 57.539 58.100 -0.004 0.000 1.123 251 Y CB 0.237 38.734 38.460 0.063 0.000 1.330 251 Y HN -0.029 nan 8.280 nan 0.000 0.518 252 L N -0.457 120.811 121.223 0.076 0.000 2.418 252 L HA 0.163 4.503 4.340 -0.000 0.000 0.218 252 L C 1.807 178.484 176.870 -0.322 0.000 1.125 252 L CA 1.230 55.956 54.840 -0.189 0.000 0.835 252 L CB -0.520 41.278 42.059 -0.436 0.000 0.953 252 L HN 0.585 nan 8.230 nan 0.000 0.454 253 G N 0.334 109.032 108.800 -0.170 0.000 2.184 253 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.264 253 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.264 253 G C 0.297 175.210 174.900 0.022 0.000 0.975 253 G CA 0.680 45.753 45.100 -0.045 0.000 0.642 253 G HN 0.639 nan 8.290 nan 0.000 0.536 254 H N -2.573 116.457 119.070 -0.066 0.000 2.981 254 H HA 0.517 5.073 4.556 -0.000 0.000 0.327 254 H C -1.371 173.787 175.328 -0.284 0.000 1.342 254 H CA -1.166 54.785 56.048 -0.161 0.000 1.123 254 H CB 0.385 30.062 29.762 -0.143 0.000 1.851 254 H HN 0.082 nan 8.280 nan 0.000 0.531 255 Y N 1.689 122.154 120.300 0.274 0.000 2.365 255 Y HA 0.238 4.788 4.550 -0.000 0.000 0.340 255 Y C 1.262 177.302 175.900 0.233 0.000 1.016 255 Y CA -0.362 57.830 58.100 0.154 0.000 1.196 255 Y CB 0.985 39.518 38.460 0.120 0.000 1.167 255 Y HN 0.668 nan 8.280 nan 0.000 0.509 256 S N 0.967 116.865 115.700 0.328 0.000 2.580 256 S HA -0.021 4.449 4.470 -0.000 0.000 0.266 256 S C 0.725 175.445 174.600 0.201 0.000 1.354 256 S CA -0.460 57.897 58.200 0.262 0.000 1.008 256 S CB 0.793 64.117 63.200 0.206 0.000 0.898 256 S HN 0.651 nan 8.310 nan 0.000 0.555 257 D N 1.119 121.602 120.400 0.139 0.000 2.117 257 D HA -0.086 4.554 4.640 -0.000 0.000 0.197 257 D C 1.832 178.190 176.300 0.096 0.000 0.987 257 D CA 1.447 55.504 54.000 0.096 0.000 0.829 257 D CB -0.215 40.622 40.800 0.062 0.000 0.961 257 D HN 0.630 nan 8.370 nan 0.000 0.460 258 K N 0.130 120.592 120.400 0.103 0.000 2.057 258 K HA -0.063 4.256 4.320 -0.000 0.000 0.207 258 K C 2.207 178.876 176.600 0.115 0.000 1.049 258 K CA 1.101 57.447 56.287 0.099 0.000 0.931 258 K CB -0.230 32.328 32.500 0.097 0.000 0.714 258 K HN 0.057 nan 8.250 nan 0.000 0.440 259 T N 1.758 116.403 114.554 0.153 0.000 2.674 259 T HA -0.139 4.210 4.350 -0.000 0.000 0.265 259 T C 1.920 176.691 174.700 0.119 0.000 1.039 259 T CA 1.560 63.768 62.100 0.179 0.000 1.150 259 T CB -0.129 68.906 68.868 0.279 0.000 0.864 259 T HN 0.184 nan 8.240 nan 0.000 0.427 260 M N 0.762 120.440 119.600 0.130 0.000 2.229 260 M HA -0.023 4.456 4.480 -0.000 0.000 0.264 260 M C 2.454 178.768 176.300 0.023 0.000 1.063 260 M CA 1.126 56.465 55.300 0.066 0.000 1.114 260 M CB -0.291 32.370 32.600 0.101 0.000 1.387 260 M HN 0.127 nan 8.290 nan 0.000 0.420 261 E N 0.948 121.179 120.200 0.051 0.000 2.077 261 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 261 E C 2.014 178.656 176.600 0.070 0.000 0.989 261 E CA 1.810 58.241 56.400 0.052 0.000 0.800 261 E CB -0.268 29.468 29.700 0.060 0.000 0.746 261 E HN 0.472 nan 8.360 nan 0.000 0.452 262 G N 0.862 109.703 108.800 0.069 0.000 2.404 262 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.215 262 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.215 262 G C 1.830 176.728 174.900 -0.004 0.000 1.174 262 G CA 1.067 46.211 45.100 0.073 0.000 0.780 262 G HN 0.242 nan 8.290 nan 0.000 0.537 263 V N 1.329 121.167 119.914 -0.128 0.000 2.407 263 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 263 V C 2.485 178.466 176.094 -0.189 0.000 1.055 263 V CA 2.070 64.153 62.300 -0.361 0.000 1.049 263 V CB -0.794 30.581 31.823 -0.746 0.000 0.662 263 V HN 0.441 nan 8.190 nan 0.000 0.455 264 N N -0.702 117.948 118.700 -0.083 0.000 2.084 264 N HA -0.242 4.497 4.740 -0.000 0.000 0.190 264 N C 1.996 177.541 175.510 0.060 0.000 1.030 264 N CA 1.366 54.404 53.050 -0.019 0.000 0.849 264 N CB -0.253 38.238 38.487 0.007 0.000 1.012 264 N HN 0.579 nan 8.380 nan 0.000 0.423 265 H N 1.720 120.773 119.070 -0.027 0.000 2.270 265 H HA -0.019 4.537 4.556 -0.001 0.000 0.299 265 H C 1.964 177.294 175.328 0.002 0.000 1.077 265 H CA 1.524 57.569 56.048 -0.006 0.000 1.294 265 H CB -0.629 29.138 29.762 0.009 0.000 1.371 265 H HN 0.166 nan 8.280 nan 0.000 0.491 266 I N 0.216 120.738 120.570 -0.081 0.000 2.151 266 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 266 I C 2.684 178.799 176.117 -0.003 0.000 1.080 266 I CA 1.376 62.606 61.300 -0.116 0.000 1.339 266 I CB -0.343 37.643 38.000 -0.024 0.000 1.039 266 I HN 0.218 nan 8.210 nan 0.000 0.409 267 L N 0.206 121.437 121.223 0.014 0.000 2.141 267 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 267 L C 2.847 179.728 176.870 0.018 0.000 1.094 267 L CA 1.035 55.880 54.840 0.009 0.000 0.763 267 L CB -0.690 41.354 42.059 -0.025 0.000 0.908 267 L HN 0.247 nan 8.230 nan 0.000 0.437 268 A N -0.160 122.686 122.820 0.043 0.000 1.877 268 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 268 A C 2.219 179.832 177.584 0.049 0.000 1.186 268 A CA 1.448 53.512 52.037 0.045 0.000 0.620 268 A CB -0.343 18.692 19.000 0.060 0.000 0.822 268 A HN 0.340 nan 8.150 nan 0.000 0.443 269 E N 0.058 120.307 120.200 0.082 0.000 2.150 269 E HA -0.107 4.242 4.350 -0.000 0.000 0.193 269 E C 0.963 177.576 176.600 0.022 0.000 0.985 269 E CA 1.017 57.456 56.400 0.065 0.000 0.814 269 E CB -0.243 29.519 29.700 0.104 0.000 0.752 269 E HN 0.669 nan 8.360 nan 0.000 0.466 270 N N -0.218 118.488 118.700 0.009 0.000 2.205 270 N HA 0.105 4.845 4.740 -0.000 0.000 0.201 270 N C 0.643 176.150 175.510 -0.005 0.000 1.128 270 N CA 0.625 53.671 53.050 -0.008 0.000 0.867 270 N CB 1.727 40.200 38.487 -0.023 0.000 0.996 270 N HN 0.061 nan 8.380 nan 0.000 0.503 271 G N 0.307 109.106 108.800 -0.001 0.000 2.814 271 G HA2 0.213 4.172 3.960 -0.000 0.000 0.677 271 G HA3 0.213 4.172 3.960 -0.000 0.000 0.677 271 G C -0.113 174.779 174.900 -0.013 0.000 1.429 271 G CA -0.510 44.587 45.100 -0.006 0.000 0.868 271 G HN 0.608 nan 8.290 nan 0.000 0.553 272 G N -0.513 108.276 108.800 -0.019 0.000 2.362 272 G HA2 0.534 4.494 3.960 -0.000 0.000 0.656 272 G HA3 0.534 4.494 3.960 -0.000 0.000 0.656 272 G C -1.025 173.857 174.900 -0.031 0.000 1.376 272 G CA 0.375 45.458 45.100 -0.029 0.000 0.971 272 G HN 1.200 nan 8.290 nan 0.000 0.636 273 E N -0.645 119.531 120.200 -0.039 0.000 2.356 273 E HA 0.593 4.943 4.350 -0.000 0.000 0.275 273 E C -0.898 175.675 176.600 -0.045 0.000 0.904 273 E CA -0.768 55.609 56.400 -0.038 0.000 0.757 273 E CB 2.411 32.093 29.700 -0.029 0.000 1.232 273 E HN 0.466 nan 8.360 nan 0.000 0.442 274 L N 1.901 123.096 121.223 -0.046 0.000 2.341 274 L HA 0.329 4.669 4.340 -0.000 0.000 0.278 274 L C -0.457 176.398 176.870 -0.026 0.000 1.005 274 L CA -0.891 53.920 54.840 -0.048 0.000 0.818 274 L CB 1.693 43.702 42.059 -0.083 0.000 1.259 274 L HN 0.407 nan 8.230 nan 0.000 0.418 275 D N 4.669 125.061 120.400 -0.013 0.000 2.479 275 D HA 0.318 4.957 4.640 -0.000 0.000 0.218 275 D C -0.842 175.464 176.300 0.010 0.000 1.131 275 D CA -0.072 53.935 54.000 0.011 0.000 0.916 275 D CB 0.347 41.161 40.800 0.023 0.000 1.022 275 D HN 0.274 nan 8.370 nan 0.000 0.515 276 L N 4.010 125.240 121.223 0.011 0.000 2.301 276 L HA 0.477 4.817 4.340 -0.000 0.000 0.278 276 L C 0.489 177.447 176.870 0.147 0.000 1.022 276 L CA -0.964 53.882 54.840 0.009 0.000 0.854 276 L CB 0.962 43.062 42.059 0.069 0.000 1.226 276 L HN 0.063 nan 8.230 nan 0.000 0.429 277 R N 0.848 121.433 120.500 0.142 0.000 2.490 277 R HA 0.070 4.410 4.340 -0.000 0.000 0.278 277 R C 1.031 177.461 176.300 0.215 0.000 1.069 277 R CA -0.289 55.899 56.100 0.147 0.000 1.080 277 R CB 0.645 31.006 30.300 0.101 0.000 1.030 277 R HN 0.403 nan 8.270 nan 0.000 0.491 278 D N 2.031 122.566 120.400 0.226 0.000 2.178 278 D HA -0.168 4.471 4.640 -0.000 0.000 0.201 278 D C 1.145 177.577 176.300 0.221 0.000 0.980 278 D CA 1.069 55.243 54.000 0.290 0.000 0.842 278 D CB 0.428 41.328 40.800 0.167 0.000 0.948 278 D HN 0.670 nan 8.370 nan 0.000 0.472 279 E N 0.547 120.823 120.200 0.127 0.000 2.153 279 E HA -0.193 4.156 4.350 -0.000 0.000 0.194 279 E C 1.189 177.816 176.600 0.046 0.000 0.988 279 E CA 0.910 57.358 56.400 0.081 0.000 0.811 279 E CB -0.380 29.353 29.700 0.054 0.000 0.746 279 E HN 0.271 nan 8.360 nan 0.000 0.466 280 D N 0.750 121.150 120.400 -0.000 0.000 2.144 280 D HA -0.126 4.513 4.640 -0.000 0.000 0.199 280 D C 1.738 177.897 176.300 -0.234 0.000 0.984 280 D CA 0.940 54.852 54.000 -0.148 0.000 0.834 280 D CB -0.499 40.193 40.800 -0.180 0.000 0.955 280 D HN 0.262 nan 8.370 nan 0.000 0.465 281 F N 1.161 121.159 119.950 0.081 0.000 2.502 281 F HA 0.010 4.537 4.527 -0.001 0.000 0.298 281 F C 2.513 178.329 175.800 0.027 0.000 1.111 281 F CA 0.528 58.553 58.000 0.041 0.000 1.445 281 F CB -0.269 38.754 39.000 0.038 0.000 1.081 281 F HN -0.070 nan 8.300 nan 0.000 0.558 282 Q N -0.074 119.818 119.800 0.154 0.000 2.083 282 Q HA -0.076 4.263 4.340 -0.000 0.000 0.198 282 Q C 2.576 178.611 176.000 0.059 0.000 0.969 282 Q CA 1.214 57.078 55.803 0.101 0.000 0.838 282 Q CB -0.365 28.421 28.738 0.079 0.000 0.900 282 Q HN 0.413 nan 8.270 nan 0.000 0.436 283 A N 1.115 123.951 122.820 0.026 0.000 1.855 283 A HA -0.154 4.165 4.320 -0.000 0.000 0.215 283 A C 2.102 179.685 177.584 -0.001 0.000 1.191 283 A CA 1.089 53.128 52.037 0.004 0.000 0.613 283 A CB -0.770 18.220 19.000 -0.018 0.000 0.829 283 A HN 0.262 nan 8.150 nan 0.000 0.442 284 L N -0.604 120.604 121.223 -0.025 0.000 2.042 284 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 284 L C 2.406 179.288 176.870 0.020 0.000 1.076 284 L CA 1.874 56.697 54.840 -0.029 0.000 0.749 284 L CB -0.620 41.386 42.059 -0.088 0.000 0.893 284 L HN 0.421 nan 8.230 nan 0.000 0.432 285 D N -0.225 120.217 120.400 0.070 0.000 2.178 285 D HA -0.130 4.510 4.640 -0.000 0.000 0.202 285 D C 2.137 178.472 176.300 0.058 0.000 0.974 285 D CA 1.158 55.210 54.000 0.085 0.000 0.841 285 D CB 0.171 41.044 40.800 0.120 0.000 0.953 285 D HN 0.255 nan 8.370 nan 0.000 0.478 286 A N 0.371 123.218 122.820 0.045 0.000 1.877 286 A HA 0.061 4.381 4.320 -0.000 0.000 0.216 286 A C 2.225 179.824 177.584 0.024 0.000 1.186 286 A CA 1.939 53.996 52.037 0.033 0.000 0.620 286 A CB -0.808 18.208 19.000 0.027 0.000 0.822 286 A HN 0.283 nan 8.150 nan 0.000 0.443 287 A N 0.181 123.009 122.820 0.013 0.000 2.251 287 A HA 0.116 4.436 4.320 -0.000 0.000 0.209 287 A C 1.844 179.429 177.584 0.002 0.000 1.187 287 A CA 0.977 53.013 52.037 -0.001 0.000 0.823 287 A CB -0.468 18.516 19.000 -0.026 0.000 0.846 287 A HN 0.708 nan 8.150 nan 0.000 0.486 288 K N -0.064 120.345 120.400 0.014 0.000 2.103 288 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 288 K C 0.361 177.002 176.600 0.068 0.000 1.048 288 K CA 2.076 58.374 56.287 0.018 0.000 0.930 288 K CB -0.304 32.226 32.500 0.050 0.000 0.716 288 K HN 0.256 nan 8.250 nan 0.000 0.444 289 D N -0.027 120.419 120.400 0.077 0.000 2.363 289 D HA 0.189 4.829 4.640 -0.000 0.000 0.214 289 D C 1.379 177.723 176.300 0.075 0.000 1.093 289 D CA -0.073 53.988 54.000 0.102 0.000 0.837 289 D CB 0.397 41.251 40.800 0.089 0.000 0.948 289 D HN 0.119 nan 8.370 nan 0.000 0.507 290 L N 0.126 121.376 121.223 0.045 0.000 2.131 290 L HA 0.028 4.368 4.340 -0.000 0.000 0.206 290 L C 0.652 177.539 176.870 0.028 0.000 1.087 290 L CA 0.454 55.312 54.840 0.030 0.000 0.767 290 L CB -0.345 41.718 42.059 0.007 0.000 0.917 290 L HN 0.057 nan 8.230 nan 0.000 0.441 291 N N 1.618 120.327 118.700 0.014 0.000 2.292 291 N HA -0.121 4.619 4.740 -0.000 0.000 0.258 291 N C 0.203 175.733 175.510 0.035 0.000 1.261 291 N CA 0.502 53.543 53.050 -0.015 0.000 0.845 291 N CB 0.867 39.328 38.487 -0.043 0.000 1.064 291 N HN 0.188 nan 8.380 nan 0.000 0.471 292 D N 0.906 121.308 120.400 0.004 0.000 2.271 292 D HA 0.042 4.682 4.640 -0.000 0.000 0.206 292 D C 0.370 176.866 176.300 0.327 0.000 0.967 292 D CA 0.976 55.075 54.000 0.164 0.000 0.867 292 D CB 0.321 41.278 40.800 0.263 0.000 0.960 292 D HN 0.553 nan 8.370 nan 0.000 0.509 293 F N -1.222 118.865 119.950 0.227 0.000 2.741 293 F HA 0.490 5.017 4.527 -0.001 0.000 0.313 293 F C -1.820 174.136 175.800 0.260 0.000 1.153 293 F CA -1.379 56.779 58.000 0.263 0.000 0.931 293 F CB 1.485 40.748 39.000 0.438 0.000 1.335 293 F HN -0.348 nan 8.300 nan 0.000 0.460 294 L N 1.771 123.313 121.223 0.532 0.000 2.362 294 L HA 0.823 5.163 4.340 -0.000 0.000 0.275 294 L C -0.587 176.569 176.870 0.477 0.000 0.998 294 L CA -0.635 54.422 54.840 0.362 0.000 0.820 294 L CB 1.725 43.997 42.059 0.356 0.000 1.270 294 L HN 1.083 nan 8.230 nan 0.000 0.415 295 G N 5.739 114.751 108.800 0.353 0.000 2.384 295 G HA2 0.532 4.492 3.960 -0.000 0.000 0.316 295 G HA3 0.532 4.492 3.960 -0.000 0.000 0.316 295 G C -0.755 174.264 174.900 0.198 0.000 1.160 295 G CA -0.402 44.890 45.100 0.319 0.000 0.936 295 G HN 0.550 nan 8.290 nan 0.000 0.455 296 I N 2.748 123.437 120.570 0.198 0.000 2.307 296 I HA 0.148 4.318 4.170 -0.000 0.000 0.289 296 I C -0.655 175.556 176.117 0.158 0.000 1.021 296 I CA -0.916 60.492 61.300 0.179 0.000 1.224 296 I CB 1.256 39.355 38.000 0.165 0.000 1.376 296 I HN 0.267 nan 8.210 nan 0.000 0.470 297 N N 6.446 125.231 118.700 0.142 0.000 2.422 297 N HA 0.253 4.992 4.740 -0.000 0.000 0.264 297 N C -1.127 174.461 175.510 0.129 0.000 1.063 297 N CA -0.167 52.932 53.050 0.082 0.000 0.959 297 N CB 0.785 39.329 38.487 0.096 0.000 1.087 297 N HN 0.414 nan 8.380 nan 0.000 0.483 298 Y N 2.248 122.466 120.300 -0.136 0.000 2.386 298 Y HA 0.335 4.885 4.550 -0.000 0.000 0.334 298 Y C -0.848 174.965 175.900 -0.146 0.000 1.002 298 Y CA -0.699 57.377 58.100 -0.040 0.000 1.068 298 Y CB 0.727 39.227 38.460 0.067 0.000 1.203 298 Y HN 0.540 nan 8.280 nan 0.000 0.443 299 Y N 4.600 124.725 120.300 -0.292 0.000 2.664 299 Y HA 0.352 4.902 4.550 -0.000 0.000 0.278 299 Y C 0.417 176.227 175.900 -0.149 0.000 1.130 299 Y CA 0.367 58.469 58.100 0.002 0.000 1.260 299 Y CB 0.792 39.392 38.460 0.234 0.000 1.369 299 Y HN 0.585 nan 8.280 nan 0.000 0.499 300 M N -1.964 117.372 119.600 -0.441 0.000 2.880 300 M HA 0.670 5.149 4.480 -0.000 0.000 0.269 300 M C -1.423 174.722 176.300 -0.257 0.000 1.248 300 M CA -0.710 54.489 55.300 -0.169 0.000 0.821 300 M CB 2.109 34.707 32.600 -0.003 0.000 1.650 300 M HN -0.231 nan 8.290 nan 0.000 0.479 301 S N -0.044 115.714 115.700 0.098 0.000 2.747 301 S HA 0.718 5.188 4.470 -0.000 0.000 0.300 301 S C -1.379 173.144 174.600 -0.128 0.000 1.121 301 S CA -0.719 57.468 58.200 -0.021 0.000 0.995 301 S CB 1.375 64.627 63.200 0.086 0.000 1.113 301 S HN 0.701 nan 8.310 nan 0.000 0.547 302 D N 0.252 120.453 120.400 -0.331 0.000 2.879 302 D HA 0.282 4.922 4.640 -0.000 0.000 0.236 302 D C -1.312 174.848 176.300 -0.234 0.000 1.171 302 D CA -0.265 53.650 54.000 -0.142 0.000 0.868 302 D CB 1.233 41.917 40.800 -0.193 0.000 1.598 302 D HN 0.443 nan 8.370 nan 0.000 0.497 303 W N 1.796 123.148 121.300 0.088 0.000 2.551 303 W HA 0.433 5.093 4.660 -0.000 0.000 0.330 303 W C -0.207 176.389 176.519 0.128 0.000 1.063 303 W CA -0.678 56.767 57.345 0.167 0.000 1.222 303 W CB 1.878 31.478 29.460 0.232 0.000 1.349 303 W HN 0.035 nan 8.180 nan 0.000 0.536 304 M N 2.391 122.177 119.600 0.311 0.000 2.321 304 M HA 0.271 4.751 4.480 -0.000 0.000 0.315 304 M C -0.410 176.025 176.300 0.225 0.000 1.052 304 M CA -0.778 54.649 55.300 0.212 0.000 0.936 304 M CB 2.000 34.691 32.600 0.151 0.000 1.639 304 M HN 0.432 nan 8.290 nan 0.000 0.433 305 Q N 1.649 121.535 119.800 0.144 0.000 2.345 305 Q HA 0.815 5.155 4.340 -0.000 0.000 0.268 305 Q C -0.927 175.158 176.000 0.141 0.000 1.054 305 Q CA -0.636 55.237 55.803 0.116 0.000 0.835 305 Q CB 2.521 31.235 28.738 -0.041 0.000 1.339 305 Q HN 0.867 nan 8.270 nan 0.000 0.447 306 A N 2.604 125.513 122.820 0.149 0.000 2.466 306 A HA 0.430 4.749 4.320 -0.000 0.000 0.238 306 A C -1.053 176.671 177.584 0.234 0.000 1.074 306 A CA 0.205 52.339 52.037 0.161 0.000 0.774 306 A CB 0.063 19.135 19.000 0.120 0.000 1.015 306 A HN 0.649 nan 8.150 nan 0.000 0.498 307 F N 1.503 121.465 119.950 0.021 0.000 2.605 307 F HA 0.373 4.899 4.527 -0.001 0.000 0.320 307 F C -0.044 175.755 175.800 -0.003 0.000 1.159 307 F CA -0.844 57.156 58.000 0.001 0.000 0.999 307 F CB 1.927 40.920 39.000 -0.011 0.000 1.258 307 F HN 0.619 nan 8.300 nan 0.000 0.464 308 D N 2.421 122.430 120.400 -0.652 0.000 2.363 308 D HA 0.235 4.875 4.640 -0.000 0.000 0.214 308 D C 0.726 176.695 176.300 -0.551 0.000 1.093 308 D CA 0.130 53.865 54.000 -0.443 0.000 0.837 308 D CB 0.272 40.912 40.800 -0.268 0.000 0.948 308 D HN 0.611 nan 8.370 nan 0.000 0.507 309 G N -0.086 108.048 108.800 -1.111 0.000 2.532 309 G HA2 0.311 4.271 3.960 -0.000 0.000 0.291 309 G HA3 0.311 4.271 3.960 -0.000 0.000 0.291 309 G C 0.103 175.009 174.900 0.011 0.000 1.349 309 G CA -0.499 44.315 45.100 -0.478 0.000 1.038 309 G HN -0.059 nan 8.290 nan 0.000 0.518 310 E N -0.316 119.930 120.200 0.077 0.000 2.371 310 E HA 0.243 4.592 4.350 -0.000 0.000 0.257 310 E C 0.519 177.148 176.600 0.049 0.000 1.134 310 E CA -0.148 56.275 56.400 0.038 0.000 0.919 310 E CB 0.978 30.670 29.700 -0.014 0.000 1.025 310 E HN 0.465 nan 8.360 nan 0.000 0.438 311 T N -0.690 113.783 114.554 -0.136 0.000 2.832 311 T HA 0.287 4.636 4.350 -0.000 0.000 0.296 311 T C -0.218 174.172 174.700 -0.516 0.000 0.968 311 T CA -0.431 61.470 62.100 -0.331 0.000 1.107 311 T CB 0.582 69.188 68.868 -0.437 0.000 0.916 311 T HN 0.447 nan 8.240 nan 0.000 0.517 312 E N 3.788 123.735 120.200 -0.421 0.000 2.321 312 E HA 0.532 4.882 4.350 -0.000 0.000 0.278 312 E C -1.511 175.004 176.600 -0.141 0.000 0.902 312 E CA -0.815 55.420 56.400 -0.275 0.000 0.758 312 E CB 1.603 31.236 29.700 -0.111 0.000 1.213 312 E HN 0.768 nan 8.360 nan 0.000 0.426 313 I N 5.667 126.298 120.570 0.102 0.000 2.500 313 I HA 0.382 4.552 4.170 -0.000 0.000 0.286 313 I C -0.796 175.447 176.117 0.210 0.000 1.063 313 I CA -0.642 60.762 61.300 0.173 0.000 1.062 313 I CB 1.630 39.788 38.000 0.263 0.000 1.223 313 I HN 0.439 nan 8.210 nan 0.000 0.435 314 I N 5.037 125.712 120.570 0.174 0.000 2.406 314 I HA 0.269 4.439 4.170 -0.000 0.000 0.290 314 I C -0.336 175.913 176.117 0.220 0.000 0.999 314 I CA -0.674 60.731 61.300 0.175 0.000 1.124 314 I CB 1.517 39.587 38.000 0.117 0.000 1.289 314 I HN 0.546 nan 8.210 nan 0.000 0.441 315 H N 5.966 125.136 119.070 0.168 0.000 2.604 315 H HA 0.260 4.816 4.556 -0.000 0.000 0.306 315 H C -0.234 175.235 175.328 0.235 0.000 1.075 315 H CA -0.474 55.702 56.048 0.214 0.000 1.357 315 H CB 0.814 30.714 29.762 0.231 0.000 1.426 315 H HN 0.537 nan 8.280 nan 0.000 0.470 316 N N 3.353 121.915 118.700 -0.230 0.000 2.555 316 N HA 0.133 4.873 4.740 -0.000 0.000 0.244 316 N C 0.777 176.145 175.510 -0.237 0.000 1.114 316 N CA 0.327 53.288 53.050 -0.149 0.000 0.963 316 N CB 0.543 39.016 38.487 -0.025 0.000 1.276 316 N HN 0.876 nan 8.380 nan 0.000 0.510 317 G N 2.512 111.292 108.800 -0.033 0.000 2.719 317 G HA2 -0.058 3.901 3.960 -0.000 0.000 0.211 317 G HA3 -0.058 3.901 3.960 -0.000 0.000 0.211 317 G C 1.157 176.390 174.900 0.555 0.000 1.140 317 G CA -0.004 45.359 45.100 0.439 0.000 0.790 317 G HN 0.402 nan 8.290 nan 0.000 0.529 318 K N 0.639 121.163 120.400 0.207 0.000 2.487 318 K HA 0.128 4.447 4.320 -0.000 0.000 0.192 318 K C 1.231 177.730 176.600 -0.168 0.000 1.027 318 K CA 0.527 56.834 56.287 0.033 0.000 1.054 318 K CB 0.299 32.703 32.500 -0.160 0.000 0.824 318 K HN 0.333 nan 8.250 nan 0.000 0.510 319 G N 2.568 111.095 108.800 -0.455 0.000 2.341 319 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.278 319 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.278 319 G C -0.747 173.781 174.900 -0.620 0.000 1.111 319 G CA -0.157 44.238 45.100 -1.175 0.000 0.982 319 G HN 0.347 nan 8.290 nan 0.000 0.502 320 E N 0.463 120.446 120.200 -0.361 0.000 2.183 320 E HA 0.360 4.710 4.350 -0.000 0.000 0.250 320 E C -0.022 176.483 176.600 -0.159 0.000 0.901 320 E CA -1.044 55.225 56.400 -0.219 0.000 0.741 320 E CB 0.698 30.312 29.700 -0.143 0.000 1.182 320 E HN 0.353 nan 8.360 nan 0.000 0.425 321 K N 1.406 121.713 120.400 -0.155 0.000 2.404 321 K HA 0.074 4.394 4.320 -0.000 0.000 0.271 321 K C 1.104 177.677 176.600 -0.044 0.000 1.130 321 K CA 0.863 57.101 56.287 -0.083 0.000 1.181 321 K CB -0.422 32.039 32.500 -0.065 0.000 0.840 321 K HN 0.796 nan 8.250 nan 0.000 0.483 322 G N 1.240 110.031 108.800 -0.015 0.000 2.218 322 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.216 322 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.216 322 G C 1.035 175.935 174.900 0.000 0.000 0.994 322 G CA 0.209 45.306 45.100 -0.004 0.000 0.637 322 G HN 0.603 nan 8.290 nan 0.000 0.505 323 S N 0.270 115.965 115.700 -0.008 0.000 2.481 323 S HA 0.314 4.784 4.470 -0.000 0.000 0.231 323 S C 1.209 175.828 174.600 0.032 0.000 0.996 323 S CA 1.045 59.247 58.200 0.003 0.000 0.942 323 S CB 0.078 63.270 63.200 -0.013 0.000 0.768 323 S HN 0.831 nan 8.310 nan 0.000 0.520 324 S N 2.043 117.773 115.700 0.049 0.000 2.562 324 S HA 0.398 4.868 4.470 -0.000 0.000 0.281 324 S C -0.207 174.438 174.600 0.074 0.000 1.333 324 S CA -0.370 57.880 58.200 0.083 0.000 1.052 324 S CB 0.688 63.954 63.200 0.110 0.000 0.884 324 S HN 0.532 nan 8.310 nan 0.000 0.506 325 K N 2.011 122.470 120.400 0.098 0.000 2.588 325 K HA 0.334 4.654 4.320 -0.000 0.000 0.250 325 K C -2.262 174.414 176.600 0.127 0.000 0.972 325 K CA -0.558 55.773 56.287 0.072 0.000 0.821 325 K CB 1.105 33.624 32.500 0.032 0.000 1.249 325 K HN 0.682 nan 8.250 nan 0.000 0.442 326 Y N 4.899 125.160 120.300 -0.065 0.000 2.327 326 Y HA 0.294 4.844 4.550 -0.001 0.000 0.325 326 Y C -1.651 174.146 175.900 -0.172 0.000 0.999 326 Y CA -0.262 57.794 58.100 -0.074 0.000 1.195 326 Y CB 1.348 39.789 38.460 -0.032 0.000 1.132 326 Y HN 0.576 nan 8.280 nan 0.000 0.455 327 Q N 6.653 126.197 119.800 -0.426 0.000 2.315 327 Q HA 0.704 5.044 4.340 -0.000 0.000 0.273 327 Q C -1.965 173.717 176.000 -0.532 0.000 1.053 327 Q CA -1.030 54.449 55.803 -0.541 0.000 0.817 327 Q CB 2.995 31.202 28.738 -0.885 0.000 1.326 327 Q HN 0.691 nan 8.270 nan 0.000 0.423 328 I N 1.490 121.833 120.570 -0.377 0.000 2.499 328 I HA 0.371 4.541 4.170 -0.000 0.000 0.288 328 I C -0.534 175.551 176.117 -0.053 0.000 1.048 328 I CA -0.965 60.174 61.300 -0.267 0.000 1.062 328 I CB 2.337 40.161 38.000 -0.294 0.000 1.238 328 I HN 0.611 nan 8.210 nan 0.000 0.426 329 K N 4.144 124.525 120.400 -0.032 0.000 2.416 329 K HA 0.318 4.637 4.320 -0.000 0.000 0.283 329 K C 1.023 177.630 176.600 0.011 0.000 1.037 329 K CA 1.202 57.510 56.287 0.036 0.000 0.995 329 K CB 0.444 32.943 32.500 -0.001 0.000 0.938 329 K HN 0.944 nan 8.250 nan 0.000 0.475 330 G N 2.055 110.887 108.800 0.053 0.000 2.258 330 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.233 330 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.233 330 G C 0.507 175.385 174.900 -0.036 0.000 1.006 330 G CA 0.241 45.373 45.100 0.053 0.000 0.620 330 G HN 0.466 nan 8.290 nan 0.000 0.511 331 V N -0.052 119.852 119.914 -0.017 0.000 2.868 331 V HA 0.762 4.881 4.120 -0.000 0.000 0.227 331 V C 1.596 177.741 176.094 0.086 0.000 1.136 331 V CA 1.954 64.253 62.300 -0.003 0.000 1.206 331 V CB 0.182 31.996 31.823 -0.015 0.000 0.997 331 V HN 1.924 nan 8.190 nan 0.000 0.505 332 G N 0.280 109.143 108.800 0.105 0.000 2.343 332 G HA2 0.423 4.383 3.960 -0.000 0.000 0.289 332 G HA3 0.423 4.383 3.960 -0.000 0.000 0.289 332 G C -1.636 173.301 174.900 0.062 0.000 1.295 332 G CA -0.522 44.670 45.100 0.153 0.000 0.869 332 G HN 0.597 nan 8.290 nan 0.000 0.522 333 R N -0.797 119.722 120.500 0.031 0.000 2.807 333 R HA 0.841 5.181 4.340 -0.000 0.000 0.276 333 R C -0.400 175.932 176.300 0.054 0.000 0.979 333 R CA -1.061 54.994 56.100 -0.075 0.000 0.928 333 R CB 1.778 31.822 30.300 -0.427 0.000 1.191 333 R HN 0.493 nan 8.270 nan 0.000 0.471 334 R N 1.082 121.649 120.500 0.111 0.000 2.297 334 R HA 0.474 4.813 4.340 -0.000 0.000 0.308 334 R C -0.875 175.435 176.300 0.017 0.000 1.029 334 R CA -0.782 55.364 56.100 0.077 0.000 0.929 334 R CB 1.696 32.006 30.300 0.016 0.000 1.046 334 R HN 0.374 nan 8.270 nan 0.000 0.461 335 V N 2.332 122.257 119.914 0.019 0.000 2.525 335 V HA 0.372 4.492 4.120 -0.000 0.000 0.299 335 V C 0.065 176.187 176.094 0.047 0.000 1.034 335 V CA -1.172 61.077 62.300 -0.084 0.000 0.863 335 V CB 1.638 33.200 31.823 -0.434 0.000 0.999 335 V HN 0.930 nan 8.190 nan 0.000 0.423 336 A N 6.810 129.640 122.820 0.016 0.000 2.477 336 A HA 0.627 4.947 4.320 -0.000 0.000 0.246 336 A C -2.220 175.298 177.584 -0.110 0.000 1.078 336 A CA -0.749 51.269 52.037 -0.032 0.000 0.770 336 A CB -0.173 18.810 19.000 -0.029 0.000 1.011 336 A HN 0.663 nan 8.150 nan 0.000 0.494 337 P HA 0.055 nan 4.420 nan 0.000 0.271 337 P C 0.406 177.500 177.300 -0.343 0.000 1.244 337 P CA -0.373 62.456 63.100 -0.452 0.000 0.793 337 P CB 0.555 31.667 31.700 -0.980 0.000 0.984 338 D N -0.359 119.809 120.400 -0.387 0.000 2.092 338 D HA -0.153 4.487 4.640 -0.000 0.000 0.193 338 D C 0.480 176.331 176.300 -0.747 0.000 0.994 338 D CA 2.082 55.703 54.000 -0.631 0.000 0.828 338 D CB -0.079 40.194 40.800 -0.878 0.000 0.963 338 D HN 0.478 nan 8.370 nan 0.000 0.450 339 Y N -0.003 120.240 120.300 -0.096 0.000 2.713 339 Y HA 0.207 4.757 4.550 -0.001 0.000 0.269 339 Y C 0.034 175.908 175.900 -0.044 0.000 1.106 339 Y CA -0.660 57.406 58.100 -0.056 0.000 1.174 339 Y CB 0.263 38.701 38.460 -0.038 0.000 1.186 339 Y HN -0.274 nan 8.280 nan 0.000 0.555 340 V N -0.812 119.101 119.914 -0.003 0.000 2.686 340 V HA 0.406 4.526 4.120 -0.000 0.000 0.295 340 V C -2.436 173.720 176.094 0.103 0.000 1.055 340 V CA -2.555 59.771 62.300 0.044 0.000 1.050 340 V CB 0.600 32.397 31.823 -0.044 0.000 0.984 340 V HN 0.019 nan 8.190 nan 0.000 0.482 341 P HA 0.391 nan 4.420 nan 0.000 0.276 341 P C -0.533 176.884 177.300 0.196 0.000 1.243 341 P CA -0.211 62.983 63.100 0.156 0.000 0.768 341 P CB 0.489 32.287 31.700 0.163 0.000 0.856 342 R N 0.882 121.485 120.500 0.170 0.000 2.912 342 R HA 0.850 5.189 4.340 -0.000 0.000 0.262 342 R C -0.470 175.945 176.300 0.191 0.000 1.057 342 R CA -0.754 55.473 56.100 0.212 0.000 0.981 342 R CB 1.163 31.565 30.300 0.170 0.000 1.201 342 R HN 0.414 nan 8.270 nan 0.000 0.484 343 T N -2.554 112.143 114.554 0.238 0.000 2.841 343 T HA 0.223 4.573 4.350 -0.000 0.000 0.276 343 T C 0.318 175.108 174.700 0.150 0.000 1.003 343 T CA -0.594 61.627 62.100 0.201 0.000 0.995 343 T CB 1.324 70.359 68.868 0.278 0.000 1.260 343 T HN 0.500 nan 8.240 nan 0.000 0.581 344 D N -0.437 119.994 120.400 0.051 0.000 2.265 344 D HA -0.041 4.599 4.640 -0.000 0.000 0.208 344 D C 0.946 177.062 176.300 -0.307 0.000 0.977 344 D CA 1.159 55.015 54.000 -0.241 0.000 0.871 344 D CB -0.007 40.433 40.800 -0.600 0.000 0.925 344 D HN 0.583 nan 8.370 nan 0.000 0.485 345 W N 0.562 121.874 121.300 0.020 0.000 3.316 345 W HA 0.065 4.725 4.660 0.000 0.000 0.327 345 W C 0.110 176.755 176.519 0.210 0.000 1.232 345 W CA -0.223 57.134 57.345 0.020 0.000 1.805 345 W CB 0.369 29.713 29.460 -0.193 0.000 1.090 345 W HN -0.033 nan 8.180 nan 0.000 0.654 346 D N -1.904 118.706 120.400 0.351 0.000 3.028 346 D HA -0.169 4.471 4.640 -0.000 0.000 0.207 346 D C -0.350 176.223 176.300 0.454 0.000 1.100 346 D CA 1.102 55.298 54.000 0.328 0.000 0.995 346 D CB -1.588 39.351 40.800 0.233 0.000 1.108 346 D HN 0.111 nan 8.370 nan 0.000 0.421 347 W N 1.590 123.014 121.300 0.207 0.000 2.368 347 W HA 0.367 5.027 4.660 -0.001 0.000 0.316 347 W C 1.240 177.898 176.519 0.232 0.000 1.375 347 W CA -0.460 57.005 57.345 0.202 0.000 1.261 347 W CB -0.169 29.407 29.460 0.194 0.000 1.298 347 W HN -0.040 nan 8.180 nan 0.000 0.539 348 I N 5.467 126.256 120.570 0.366 0.000 2.496 348 I HA 0.077 4.247 4.170 -0.000 0.000 0.285 348 I C 0.440 176.850 176.117 0.488 0.000 1.080 348 I CA -0.470 61.056 61.300 0.376 0.000 1.404 348 I CB 0.402 38.626 38.000 0.373 0.000 1.403 348 I HN 0.096 nan 8.210 nan 0.000 0.539 349 I N 7.132 127.997 120.570 0.491 0.000 2.352 349 I HA 0.113 4.282 4.170 -0.000 0.000 0.290 349 I C -0.822 175.640 176.117 0.574 0.000 1.036 349 I CA -0.068 61.582 61.300 0.583 0.000 1.336 349 I CB 0.349 38.657 38.000 0.513 0.000 1.407 349 I HN 0.479 nan 8.210 nan 0.000 0.497 350 Y N 8.879 129.445 120.300 0.442 0.000 2.472 350 Y HA 0.295 4.844 4.550 -0.000 0.000 0.324 350 Y C -2.409 173.710 175.900 0.364 0.000 1.160 350 Y CA -1.712 56.615 58.100 0.380 0.000 1.381 350 Y CB 0.943 39.721 38.460 0.530 0.000 1.125 350 Y HN 0.374 nan 8.280 nan 0.000 0.541 351 P HA -0.180 nan 4.420 nan 0.000 0.215 351 P C 1.331 178.456 177.300 -0.290 0.000 1.153 351 P CA 1.727 64.548 63.100 -0.466 0.000 0.853 351 P CB 0.459 31.723 31.700 -0.727 0.000 0.788 352 E N -0.254 119.653 120.200 -0.488 0.000 2.273 352 E HA -0.146 4.204 4.350 -0.000 0.000 0.198 352 E C 2.043 178.584 176.600 -0.098 0.000 1.002 352 E CA 1.552 57.712 56.400 -0.401 0.000 0.828 352 E CB -1.198 28.112 29.700 -0.650 0.000 0.747 352 E HN 0.168 nan 8.360 nan 0.000 0.491 353 G N 0.271 109.119 108.800 0.079 0.000 2.422 353 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 353 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 353 G C 1.402 176.291 174.900 -0.019 0.000 1.140 353 G CA 0.734 46.094 45.100 0.434 0.000 0.775 353 G HN 0.337 nan 8.290 nan 0.000 0.545 354 L N -0.347 120.609 121.223 -0.446 0.000 2.027 354 L HA 0.030 4.369 4.340 -0.000 0.000 0.206 354 L C 2.448 179.216 176.870 -0.170 0.000 1.074 354 L CA 1.628 56.084 54.840 -0.640 0.000 0.745 354 L CB -0.927 40.836 42.059 -0.495 0.000 0.898 354 L HN 0.338 nan 8.230 nan 0.000 0.433 355 Y N 0.593 120.799 120.300 -0.157 0.000 2.128 355 Y HA -0.294 4.256 4.550 -0.000 0.000 0.284 355 Y C 2.240 178.113 175.900 -0.046 0.000 1.154 355 Y CA 2.216 60.268 58.100 -0.081 0.000 1.149 355 Y CB -0.417 38.001 38.460 -0.069 0.000 0.976 355 Y HN 0.323 nan 8.280 nan 0.000 0.505 356 D N -0.344 120.194 120.400 0.230 0.000 2.149 356 D HA -0.189 4.451 4.640 -0.000 0.000 0.198 356 D C 2.100 178.403 176.300 0.005 0.000 0.990 356 D CA 1.249 55.344 54.000 0.158 0.000 0.839 356 D CB -0.241 40.708 40.800 0.248 0.000 0.948 356 D HN 0.406 nan 8.370 nan 0.000 0.460 357 Q N -0.046 119.740 119.800 -0.025 0.000 2.079 357 Q HA -0.003 4.337 4.340 -0.000 0.000 0.200 357 Q C 2.513 178.465 176.000 -0.080 0.000 0.974 357 Q CA 0.512 56.297 55.803 -0.030 0.000 0.840 357 Q CB -0.159 28.581 28.738 0.004 0.000 0.898 357 Q HN 0.414 nan 8.270 nan 0.000 0.430 358 I N 0.272 120.756 120.570 -0.144 0.000 2.361 358 I HA -0.251 3.919 4.170 -0.000 0.000 0.251 358 I C 1.921 177.873 176.117 -0.275 0.000 1.133 358 I CA 0.795 61.968 61.300 -0.211 0.000 1.413 358 I CB -0.145 37.716 38.000 -0.232 0.000 1.073 358 I HN 0.177 nan 8.210 nan 0.000 0.424 359 M N -0.357 119.074 119.600 -0.282 0.000 2.558 359 M HA -0.024 4.456 4.480 -0.000 0.000 0.255 359 M C 2.120 178.333 176.300 -0.145 0.000 1.113 359 M CA 0.947 56.101 55.300 -0.243 0.000 1.097 359 M CB -0.938 31.513 32.600 -0.249 0.000 1.426 359 M HN 0.234 nan 8.290 nan 0.000 0.488 360 R N 0.633 121.069 120.500 -0.107 0.000 2.066 360 R HA 0.006 4.346 4.340 -0.000 0.000 0.224 360 R C 1.893 178.159 176.300 -0.056 0.000 1.122 360 R CA 1.098 57.163 56.100 -0.059 0.000 0.974 360 R CB -0.415 29.878 30.300 -0.012 0.000 0.871 360 R HN 0.193 nan 8.270 nan 0.000 0.435 361 V N 2.490 122.382 119.914 -0.038 0.000 2.332 361 V HA -0.245 3.874 4.120 -0.000 0.000 0.248 361 V C 2.663 178.671 176.094 -0.144 0.000 1.055 361 V CA 2.228 64.552 62.300 0.040 0.000 1.038 361 V CB -0.611 31.175 31.823 -0.063 0.000 0.651 361 V HN 0.402 nan 8.190 nan 0.000 0.450 362 K N 0.049 120.243 120.400 -0.344 0.000 2.103 362 K HA -0.228 4.092 4.320 -0.000 0.000 0.207 362 K C 1.909 178.446 176.600 -0.106 0.000 1.048 362 K CA 1.931 58.002 56.287 -0.360 0.000 0.930 362 K CB -0.121 32.181 32.500 -0.329 0.000 0.716 362 K HN 0.469 nan 8.250 nan 0.000 0.444 363 N N 0.571 119.196 118.700 -0.125 0.000 2.336 363 N HA -0.064 4.676 4.740 -0.000 0.000 0.177 363 N C 0.866 176.265 175.510 -0.185 0.000 1.018 363 N CA 1.064 54.050 53.050 -0.107 0.000 0.878 363 N CB 0.049 38.484 38.487 -0.088 0.000 0.997 363 N HN 0.234 nan 8.380 nan 0.000 0.433 364 D N -0.629 119.576 120.400 -0.325 0.000 2.249 364 D HA -0.008 4.631 4.640 -0.000 0.000 0.205 364 D C -0.242 175.463 176.300 -0.991 0.000 0.962 364 D CA 0.900 54.488 54.000 -0.688 0.000 0.860 364 D CB 0.106 40.352 40.800 -0.923 0.000 0.955 364 D HN 0.306 nan 8.370 nan 0.000 0.505 365 Y N -1.372 118.864 120.300 -0.107 0.000 2.592 365 Y HA 0.315 4.864 4.550 -0.001 0.000 0.354 365 Y C -2.032 173.808 175.900 -0.101 0.000 1.063 365 Y CA -2.084 55.894 58.100 -0.203 0.000 1.205 365 Y CB 1.580 39.734 38.460 -0.510 0.000 1.106 365 Y HN -0.133 nan 8.280 nan 0.000 0.649 366 P HA -0.141 nan 4.420 nan 0.000 0.221 366 P C 0.778 178.137 177.300 0.098 0.000 1.145 366 P CA 1.391 64.581 63.100 0.149 0.000 0.795 366 P CB 0.283 32.017 31.700 0.056 0.000 0.775 367 N N -0.372 118.350 118.700 0.038 0.000 2.413 367 N HA -0.109 4.630 4.740 -0.000 0.000 0.207 367 N C 1.092 176.599 175.510 -0.005 0.000 1.206 367 N CA -0.014 53.040 53.050 0.007 0.000 0.832 367 N CB -1.217 37.332 38.487 0.103 0.000 1.037 367 N HN 0.336 nan 8.380 nan 0.000 0.467 368 Y N 0.598 120.824 120.300 -0.123 0.000 2.373 368 Y HA 0.089 4.638 4.550 -0.000 0.000 0.293 368 Y C 1.378 177.351 175.900 0.121 0.000 1.129 368 Y CA 0.330 58.401 58.100 -0.047 0.000 1.226 368 Y CB -0.113 38.277 38.460 -0.115 0.000 1.000 368 Y HN -0.033 nan 8.280 nan 0.000 0.549 369 K N -0.696 119.254 120.400 -0.749 0.000 9.188 369 K HA -0.319 4.001 4.320 -0.000 0.000 0.503 369 K C 0.241 176.603 176.600 -0.395 0.000 0.367 369 K CA 2.082 58.082 56.287 -0.478 0.000 1.958 369 K CB -1.304 31.137 32.500 -0.097 0.000 0.698 369 K HN 0.414 nan 8.250 nan 0.000 1.029 370 K N 0.753 121.120 120.400 -0.054 0.000 2.523 370 K HA 0.575 4.895 4.320 -0.000 0.000 0.257 370 K C -1.687 175.035 176.600 0.204 0.000 0.932 370 K CA -0.570 55.749 56.287 0.054 0.000 0.812 370 K CB 1.750 34.257 32.500 0.012 0.000 1.326 370 K HN 0.182 nan 8.250 nan 0.000 0.433 371 I N 3.502 124.118 120.570 0.076 0.000 2.465 371 I HA 0.352 4.521 4.170 -0.000 0.000 0.291 371 I C -1.397 174.642 176.117 -0.130 0.000 1.014 371 I CA -0.867 60.489 61.300 0.092 0.000 1.093 371 I CB 1.459 39.535 38.000 0.127 0.000 1.267 371 I HN 0.539 nan 8.210 nan 0.000 0.431 372 Y N 5.835 126.217 120.300 0.137 0.000 2.409 372 Y HA 0.426 4.976 4.550 -0.001 0.000 0.343 372 Y C 0.004 175.971 175.900 0.112 0.000 0.973 372 Y CA -0.939 57.186 58.100 0.041 0.000 1.064 372 Y CB 1.848 40.275 38.460 -0.056 0.000 1.207 372 Y HN 0.253 nan 8.280 nan 0.000 0.452 373 I N 3.723 124.470 120.570 0.295 0.000 2.227 373 I HA 0.025 4.195 4.170 -0.000 0.000 0.297 373 I C 1.270 177.521 176.117 0.223 0.000 1.173 373 I CA -0.036 61.413 61.300 0.249 0.000 1.356 373 I CB -0.462 37.735 38.000 0.329 0.000 1.485 373 I HN 0.767 nan 8.210 nan 0.000 0.604 374 T N -0.149 114.508 114.554 0.171 0.000 3.077 374 T HA -0.046 4.304 4.350 -0.000 0.000 0.269 374 T C 0.762 175.477 174.700 0.024 0.000 1.146 374 T CA 0.277 62.383 62.100 0.010 0.000 1.091 374 T CB -0.284 68.513 68.868 -0.119 0.000 0.892 374 T HN 0.529 nan 8.240 nan 0.000 0.533 375 C N 1.492 120.799 119.300 0.011 0.000 3.178 375 C HA 0.608 5.068 4.460 -0.000 0.000 0.428 375 C C -1.305 173.550 174.990 -0.224 0.000 0.967 375 C CA -1.288 57.719 59.018 -0.018 0.000 1.205 375 C CB 1.080 28.848 27.740 0.047 0.000 1.584 375 C HN 0.706 nan 8.230 nan 0.000 0.591 376 N N 1.925 120.513 118.700 -0.186 0.000 2.647 376 N HA 0.606 5.346 4.740 -0.000 0.000 0.259 376 N C -0.905 174.752 175.510 0.246 0.000 1.098 376 N CA 0.321 53.302 53.050 -0.115 0.000 0.984 376 N CB 2.245 40.795 38.487 0.104 0.000 1.683 376 N HN 1.158 nan 8.380 nan 0.000 0.501 377 G N 1.001 110.097 108.800 0.494 0.000 2.368 377 G HA2 0.379 4.339 3.960 -0.000 0.000 0.293 377 G HA3 0.379 4.339 3.960 -0.000 0.000 0.293 377 G C -2.391 172.690 174.900 0.301 0.000 1.467 377 G CA -0.749 44.679 45.100 0.547 0.000 0.804 377 G HN 0.451 nan 8.290 nan 0.000 0.535 378 L N 1.274 122.483 121.223 -0.023 0.000 2.319 378 L HA 0.792 5.132 4.340 -0.000 0.000 0.281 378 L C 0.537 177.070 176.870 -0.562 0.000 1.005 378 L CA -0.199 54.411 54.840 -0.383 0.000 0.828 378 L CB 1.399 43.257 42.059 -0.336 0.000 1.227 378 L HN 0.920 nan 8.230 nan 0.000 0.415 379 G N 4.499 112.564 108.800 -1.226 0.000 2.322 379 G HA2 0.518 4.478 3.960 -0.000 0.000 0.309 379 G HA3 0.518 4.478 3.960 -0.000 0.000 0.309 379 G C -1.587 172.862 174.900 -0.752 0.000 1.121 379 G CA -0.142 43.916 45.100 -1.737 0.000 0.886 379 G HN 0.789 nan 8.290 nan 0.000 0.447 380 Y N -0.271 119.715 120.300 -0.524 0.000 2.662 380 Y HA 0.590 5.139 4.550 -0.000 0.000 0.334 380 Y C -0.648 175.275 175.900 0.038 0.000 1.185 380 Y CA -1.931 56.117 58.100 -0.086 0.000 1.074 380 Y CB 1.211 39.719 38.460 0.080 0.000 1.330 380 Y HN 0.417 nan 8.280 nan 0.000 0.458 381 K N 3.525 124.156 120.400 0.386 0.000 2.165 381 K HA 0.111 4.431 4.320 -0.000 0.000 0.270 381 K C -0.767 175.940 176.600 0.179 0.000 1.091 381 K CA 0.405 56.839 56.287 0.245 0.000 1.019 381 K CB -0.712 31.980 32.500 0.321 0.000 1.101 381 K HN 0.636 nan 8.250 nan 0.000 0.397 382 D N 2.734 123.088 120.400 -0.076 0.000 2.360 382 D HA -0.023 4.616 4.640 -0.000 0.000 0.242 382 D C -0.388 175.985 176.300 0.122 0.000 1.184 382 D CA 0.033 54.025 54.000 -0.014 0.000 0.930 382 D CB 0.795 41.539 40.800 -0.093 0.000 1.161 382 D HN 0.568 nan 8.370 nan 0.000 0.447 383 E N 0.314 120.585 120.200 0.118 0.000 2.129 383 E HA 0.131 4.480 4.350 -0.000 0.000 0.268 383 E C -1.138 175.482 176.600 0.034 0.000 0.900 383 E CA -0.696 55.764 56.400 0.099 0.000 0.755 383 E CB 0.712 30.471 29.700 0.098 0.000 1.117 383 E HN 0.125 nan 8.360 nan 0.000 0.410 384 F N 6.578 126.393 119.950 -0.223 0.000 2.490 384 F HA 0.180 4.707 4.527 -0.001 0.000 0.357 384 F C -0.748 174.851 175.800 -0.335 0.000 1.166 384 F CA -0.545 57.166 58.000 -0.482 0.000 1.116 384 F CB 0.036 38.653 39.000 -0.637 0.000 1.171 384 F HN 0.185 nan 8.300 nan 0.000 0.576 385 V N 2.391 121.991 119.914 -0.522 0.000 2.686 385 V HA 0.432 4.552 4.120 -0.000 0.000 0.306 385 V C -0.467 175.315 176.094 -0.520 0.000 1.065 385 V CA -1.316 60.708 62.300 -0.459 0.000 0.894 385 V CB 1.777 33.511 31.823 -0.149 0.000 1.004 385 V HN 0.575 nan 8.190 nan 0.000 0.424 386 D N 2.713 122.854 120.400 -0.432 0.000 2.800 386 D HA -0.202 4.438 4.640 -0.000 0.000 0.232 386 D C 0.773 176.861 176.300 -0.353 0.000 1.137 386 D CA 1.272 55.102 54.000 -0.283 0.000 0.718 386 D CB -1.002 39.760 40.800 -0.063 0.000 1.084 386 D HN 1.002 nan 8.370 nan 0.000 0.432 387 N N -2.192 116.093 118.700 -0.692 0.000 2.909 387 N HA -0.178 4.562 4.740 -0.000 0.000 0.242 387 N C 0.068 175.485 175.510 -0.155 0.000 0.975 387 N CA 1.952 54.684 53.050 -0.530 0.000 0.921 387 N CB -1.006 37.472 38.487 -0.015 0.000 1.112 387 N HN 0.548 nan 8.380 nan 0.000 0.581 388 T N -1.620 112.748 114.554 -0.310 0.000 2.591 388 T HA 0.764 5.113 4.350 -0.000 0.000 0.274 388 T C -0.532 173.990 174.700 -0.297 0.000 0.945 388 T CA -0.440 61.555 62.100 -0.174 0.000 1.087 388 T CB 2.498 71.173 68.868 -0.322 0.000 1.416 388 T HN -0.197 nan 8.240 nan 0.000 0.514 389 V N 1.052 120.753 119.914 -0.356 0.000 2.752 389 V HA 0.301 4.421 4.120 -0.000 0.000 0.302 389 V C -1.669 174.237 176.094 -0.313 0.000 1.133 389 V CA -0.862 61.262 62.300 -0.294 0.000 0.919 389 V CB 1.688 33.449 31.823 -0.105 0.000 1.026 389 V HN 0.850 nan 8.190 nan 0.000 0.429 390 Y N 3.219 123.540 120.300 0.035 0.000 2.830 390 Y HA 0.207 4.757 4.550 -0.001 0.000 0.371 390 Y C 1.094 177.039 175.900 0.075 0.000 1.246 390 Y CA -1.548 56.576 58.100 0.039 0.000 1.890 390 Y CB -0.380 38.091 38.460 0.019 0.000 1.995 390 Y HN 0.749 nan 8.280 nan 0.000 0.430 391 D N -1.129 119.367 120.400 0.159 0.000 2.662 391 D HA -0.072 4.567 4.640 -0.000 0.000 0.228 391 D C 0.490 176.890 176.300 0.166 0.000 1.093 391 D CA 0.147 54.262 54.000 0.192 0.000 1.075 391 D CB 0.148 41.015 40.800 0.111 0.000 1.122 391 D HN 0.378 nan 8.370 nan 0.000 0.475 392 D N 1.297 121.788 120.400 0.151 0.000 2.183 392 D HA -0.083 4.557 4.640 -0.000 0.000 0.203 392 D C 2.058 178.392 176.300 0.057 0.000 0.969 392 D CA 1.060 55.100 54.000 0.067 0.000 0.842 392 D CB 0.056 40.886 40.800 0.049 0.000 0.957 392 D HN 0.590 nan 8.370 nan 0.000 0.484 393 G N 1.070 109.934 108.800 0.107 0.000 2.418 393 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.217 393 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.217 393 G C 1.700 176.712 174.900 0.187 0.000 1.158 393 G CA 0.434 45.585 45.100 0.085 0.000 0.771 393 G HN 0.200 nan 8.290 nan 0.000 0.545 394 R N 0.012 120.671 120.500 0.265 0.000 2.075 394 R HA 0.089 4.429 4.340 -0.000 0.000 0.232 394 R C 2.521 178.909 176.300 0.146 0.000 1.126 394 R CA 0.972 57.221 56.100 0.249 0.000 0.963 394 R CB -0.321 30.096 30.300 0.196 0.000 0.858 394 R HN 0.405 nan 8.270 nan 0.000 0.435 395 I N 0.955 121.515 120.570 -0.017 0.000 2.361 395 I HA -0.250 3.920 4.170 -0.000 0.000 0.251 395 I C 1.933 177.842 176.117 -0.346 0.000 1.133 395 I CA 1.253 62.340 61.300 -0.356 0.000 1.413 395 I CB -0.309 37.370 38.000 -0.535 0.000 1.073 395 I HN 0.281 nan 8.210 nan 0.000 0.424 396 D N 0.162 120.503 120.400 -0.098 0.000 2.123 396 D HA -0.236 4.404 4.640 -0.000 0.000 0.200 396 D C 2.086 178.443 176.300 0.094 0.000 0.976 396 D CA 1.222 55.200 54.000 -0.036 0.000 0.831 396 D CB -0.127 40.682 40.800 0.015 0.000 0.974 396 D HN 0.350 nan 8.370 nan 0.000 0.469 397 Y N 0.649 121.016 120.300 0.112 0.000 2.114 397 Y HA -0.204 4.346 4.550 -0.001 0.000 0.284 397 Y C 2.212 178.344 175.900 0.386 0.000 1.143 397 Y CA 1.673 59.940 58.100 0.278 0.000 1.135 397 Y CB -0.417 38.226 38.460 0.305 0.000 0.980 397 Y HN -0.130 nan 8.280 nan 0.000 0.499 398 V N 1.077 121.268 119.914 0.462 0.000 2.295 398 V HA -0.325 3.795 4.120 -0.000 0.000 0.246 398 V C 2.418 178.676 176.094 0.273 0.000 1.049 398 V CA 2.366 64.936 62.300 0.451 0.000 1.024 398 V CB -0.785 31.360 31.823 0.536 0.000 0.648 398 V HN 0.389 nan 8.190 nan 0.000 0.447 399 K N -0.334 120.125 120.400 0.099 0.000 2.103 399 K HA -0.261 4.059 4.320 -0.000 0.000 0.207 399 K C 2.218 178.851 176.600 0.055 0.000 1.048 399 K CA 1.830 58.179 56.287 0.103 0.000 0.930 399 K CB -0.122 32.319 32.500 -0.098 0.000 0.716 399 K HN 0.517 nan 8.250 nan 0.000 0.444 400 Q N -0.891 118.906 119.800 -0.006 0.000 2.079 400 Q HA -0.154 4.186 4.340 -0.000 0.000 0.200 400 Q C 1.870 177.753 176.000 -0.194 0.000 0.974 400 Q CA 1.676 57.408 55.803 -0.119 0.000 0.840 400 Q CB -0.003 28.617 28.738 -0.197 0.000 0.898 400 Q HN 0.532 nan 8.270 nan 0.000 0.430 401 H N -0.059 118.972 119.070 -0.065 0.000 2.363 401 H HA -0.040 4.516 4.556 -0.001 0.000 0.301 401 H C 1.899 177.215 175.328 -0.020 0.000 1.074 401 H CA 1.056 57.086 56.048 -0.029 0.000 1.354 401 H CB 0.019 29.804 29.762 0.038 0.000 1.397 401 H HN 0.111 nan 8.280 nan 0.000 0.516 402 L N 0.440 121.692 121.223 0.048 0.000 2.127 402 L HA -0.195 4.145 4.340 -0.000 0.000 0.211 402 L C 1.997 178.841 176.870 -0.043 0.000 1.089 402 L CA 1.355 56.156 54.840 -0.066 0.000 0.757 402 L CB -0.252 41.759 42.059 -0.081 0.000 0.899 402 L HN 0.434 nan 8.230 nan 0.000 0.434 403 E N -0.811 119.376 120.200 -0.023 0.000 2.107 403 E HA -0.169 4.180 4.350 -0.000 0.000 0.191 403 E C 2.280 178.864 176.600 -0.027 0.000 0.982 403 E CA 0.852 57.232 56.400 -0.033 0.000 0.809 403 E CB 0.043 29.718 29.700 -0.041 0.000 0.756 403 E HN 0.232 nan 8.360 nan 0.000 0.459 404 V N 1.290 121.188 119.914 -0.026 0.000 2.548 404 V HA -0.194 3.925 4.120 -0.000 0.000 0.249 404 V C 2.124 178.285 176.094 0.111 0.000 1.055 404 V CA 1.136 63.449 62.300 0.022 0.000 1.065 404 V CB -0.175 31.629 31.823 -0.032 0.000 0.681 404 V HN 0.272 nan 8.190 nan 0.000 0.462 405 L N -0.483 120.783 121.223 0.071 0.000 2.005 405 L HA -0.165 4.174 4.340 -0.000 0.000 0.207 405 L C 2.695 179.591 176.870 0.044 0.000 1.072 405 L CA 1.981 56.868 54.840 0.078 0.000 0.744 405 L CB -0.672 41.438 42.059 0.086 0.000 0.895 405 L HN 0.399 nan 8.230 nan 0.000 0.433 406 S N -0.575 115.117 115.700 -0.015 0.000 2.423 406 S HA -0.227 4.243 4.470 -0.000 0.000 0.238 406 S C 1.485 176.098 174.600 0.023 0.000 1.028 406 S CA 1.841 60.021 58.200 -0.034 0.000 1.000 406 S CB -0.244 62.920 63.200 -0.061 0.000 0.797 406 S HN 0.410 nan 8.310 nan 0.000 0.487 407 D N 0.769 121.213 120.400 0.074 0.000 2.202 407 D HA 0.212 4.851 4.640 -0.000 0.000 0.214 407 D C 2.314 178.751 176.300 0.229 0.000 0.967 407 D CA 1.166 55.250 54.000 0.139 0.000 0.871 407 D CB -0.823 40.053 40.800 0.125 0.000 1.020 407 D HN 0.447 nan 8.370 nan 0.000 0.474 408 A N 0.950 123.913 122.820 0.239 0.000 2.024 408 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 408 A C 2.292 179.876 177.584 0.001 0.000 1.164 408 A CA 0.851 52.879 52.037 -0.015 0.000 0.643 408 A CB -0.686 18.202 19.000 -0.188 0.000 0.806 408 A HN 0.191 nan 8.150 nan 0.000 0.451 409 I N -0.602 119.996 120.570 0.046 0.000 2.193 409 I HA -0.232 3.938 4.170 -0.000 0.000 0.240 409 I C 2.989 179.133 176.117 0.045 0.000 1.084 409 I CA 1.010 62.338 61.300 0.047 0.000 1.365 409 I CB -0.457 37.573 38.000 0.050 0.000 1.064 409 I HN 0.348 nan 8.210 nan 0.000 0.410 410 A N 0.266 123.116 122.820 0.051 0.000 1.986 410 A HA -0.241 4.078 4.320 -0.000 0.000 0.220 410 A C 1.482 179.098 177.584 0.055 0.000 1.171 410 A CA 2.003 54.068 52.037 0.048 0.000 0.640 410 A CB -0.587 18.442 19.000 0.047 0.000 0.811 410 A HN 0.381 nan 8.150 nan 0.000 0.451 411 D N -1.228 119.215 120.400 0.071 0.000 2.325 411 D HA 0.352 4.992 4.640 -0.000 0.000 0.234 411 D C 1.194 177.513 176.300 0.032 0.000 1.122 411 D CA 1.022 55.062 54.000 0.067 0.000 0.850 411 D CB -0.184 40.690 40.800 0.123 0.000 0.921 411 D HN 0.586 nan 8.370 nan 0.000 0.513 412 G N -0.161 108.658 108.800 0.032 0.000 2.141 412 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.231 412 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.231 412 G C 0.423 175.352 174.900 0.049 0.000 0.984 412 G CA -0.036 45.087 45.100 0.037 0.000 0.660 412 G HN 0.583 nan 8.290 nan 0.000 0.525 413 A N -0.117 122.718 122.820 0.025 0.000 2.301 413 A HA 0.695 5.014 4.320 -0.000 0.000 0.298 413 A C 0.309 177.954 177.584 0.101 0.000 1.185 413 A CA -0.112 51.950 52.037 0.042 0.000 0.830 413 A CB 0.533 19.488 19.000 -0.074 0.000 1.112 413 A HN 0.534 nan 8.150 nan 0.000 0.508 414 N N 2.378 121.202 118.700 0.207 0.000 2.739 414 N HA 0.298 5.037 4.740 -0.000 0.000 0.266 414 N C -0.933 174.641 175.510 0.107 0.000 1.168 414 N CA 0.216 53.353 53.050 0.145 0.000 1.055 414 N CB 0.011 38.565 38.487 0.111 0.000 1.393 414 N HN 0.283 nan 8.380 nan 0.000 0.514 415 V N 3.789 123.749 119.914 0.077 0.000 2.427 415 V HA 0.313 4.432 4.120 -0.000 0.000 0.286 415 V C 0.799 176.902 176.094 0.014 0.000 1.034 415 V CA -0.501 61.835 62.300 0.059 0.000 0.893 415 V CB 1.721 33.644 31.823 0.167 0.000 0.982 415 V HN 0.442 nan 8.190 nan 0.000 0.452 416 K N 2.694 122.931 120.400 -0.271 0.000 2.402 416 K HA 0.429 4.748 4.320 -0.000 0.000 0.204 416 K C 0.449 176.545 176.600 -0.839 0.000 1.056 416 K CA 0.384 56.426 56.287 -0.409 0.000 1.069 416 K CB 1.575 33.791 32.500 -0.474 0.000 0.888 416 K HN 0.855 nan 8.250 nan 0.000 0.546 417 G N 0.294 108.449 108.800 -1.075 0.000 2.489 417 G HA2 0.356 4.315 3.960 -0.000 0.000 0.291 417 G HA3 0.356 4.315 3.960 -0.000 0.000 0.291 417 G C -2.363 172.167 174.900 -0.617 0.000 1.487 417 G CA -0.689 43.513 45.100 -1.496 0.000 0.795 417 G HN -0.013 nan 8.290 nan 0.000 0.513 418 Y N 0.062 120.027 120.300 -0.559 0.000 2.442 418 Y HA 0.778 5.327 4.550 -0.001 0.000 0.344 418 Y C -1.733 174.017 175.900 -0.250 0.000 0.976 418 Y CA -1.580 56.517 58.100 -0.005 0.000 1.040 418 Y CB 1.883 40.608 38.460 0.442 0.000 1.228 418 Y HN 0.417 nan 8.280 nan 0.000 0.451 419 F N 7.600 127.344 119.950 -0.345 0.000 2.445 419 F HA 0.414 4.941 4.527 -0.001 0.000 0.348 419 F C -0.217 175.325 175.800 -0.430 0.000 1.125 419 F CA -0.739 57.088 58.000 -0.287 0.000 0.983 419 F CB 1.376 40.222 39.000 -0.255 0.000 1.198 419 F HN 0.436 nan 8.300 nan 0.000 0.436 420 I N 4.914 125.393 120.570 -0.151 0.000 2.396 420 I HA 0.067 4.236 4.170 -0.000 0.000 0.289 420 I C -0.572 175.543 176.117 -0.003 0.000 1.056 420 I CA -0.303 60.932 61.300 -0.108 0.000 1.365 420 I CB 0.537 38.519 38.000 -0.029 0.000 1.407 420 I HN 0.682 nan 8.210 nan 0.000 0.509 421 W N 9.155 130.427 121.300 -0.046 0.000 2.358 421 W HA 0.379 5.039 4.660 -0.001 0.000 0.307 421 W C -0.836 175.677 176.519 -0.009 0.000 1.203 421 W CA -0.423 56.888 57.345 -0.057 0.000 1.279 421 W CB 1.314 30.756 29.460 -0.030 0.000 1.264 421 W HN 0.632 nan 8.180 nan 0.000 0.474 422 S N 4.499 119.776 115.700 -0.705 0.000 2.634 422 S HA 0.341 4.811 4.470 -0.000 0.000 0.296 422 S C 0.249 174.545 174.600 -0.506 0.000 1.104 422 S CA -0.879 56.696 58.200 -1.042 0.000 0.920 422 S CB 2.021 64.171 63.200 -1.751 0.000 1.111 422 S HN 0.538 nan 8.310 nan 0.000 0.493 423 L N 0.381 121.344 121.223 -0.433 0.000 2.017 423 L HA 0.178 4.518 4.340 -0.000 0.000 0.208 423 L C 0.709 177.520 176.870 -0.098 0.000 1.073 423 L CA 1.796 56.517 54.840 -0.198 0.000 0.745 423 L CB -0.515 41.426 42.059 -0.197 0.000 0.894 423 L HN 0.900 nan 8.230 nan 0.000 0.432 424 M N -2.015 117.422 119.600 -0.271 0.000 2.691 424 M HA 0.409 4.889 4.480 -0.000 0.000 0.293 424 M C -1.291 174.827 176.300 -0.304 0.000 1.259 424 M CA -0.811 54.368 55.300 -0.201 0.000 0.827 424 M CB 0.715 33.170 32.600 -0.242 0.000 1.753 424 M HN -0.225 nan 8.290 nan 0.000 0.465 425 D N 2.438 122.681 120.400 -0.262 0.000 2.417 425 D HA 0.453 5.092 4.640 -0.000 0.000 0.250 425 D C -0.055 176.155 176.300 -0.149 0.000 1.166 425 D CA 0.310 54.175 54.000 -0.225 0.000 0.881 425 D CB 0.836 41.485 40.800 -0.252 0.000 1.164 425 D HN 0.606 nan 8.370 nan 0.000 0.467 426 V N -0.500 119.310 119.914 -0.172 0.000 3.078 426 V HA 0.680 4.800 4.120 -0.000 0.000 0.311 426 V C -0.268 175.582 176.094 -0.406 0.000 1.138 426 V CA -1.322 60.822 62.300 -0.261 0.000 1.007 426 V CB 1.464 32.968 31.823 -0.531 0.000 1.045 426 V HN 0.318 nan 8.190 nan 0.000 0.432 427 F N 1.027 120.513 119.950 -0.773 0.000 2.444 427 F HA 0.768 5.295 4.527 -0.001 0.000 0.331 427 F C 0.631 175.997 175.800 -0.723 0.000 1.167 427 F CA 0.012 57.373 58.000 -1.065 0.000 1.262 427 F CB 0.761 38.596 39.000 -1.940 0.000 1.196 427 F HN 0.759 nan 8.300 nan 0.000 0.583 428 S N 2.371 117.800 115.700 -0.451 0.000 2.578 428 S HA 0.253 4.723 4.470 -0.000 0.000 0.283 428 S C 0.482 174.996 174.600 -0.143 0.000 1.195 428 S CA -0.825 57.164 58.200 -0.351 0.000 1.050 428 S CB 0.368 63.471 63.200 -0.162 0.000 1.012 428 S HN 0.766 nan 8.310 nan 0.000 0.511 429 W N 2.580 123.795 121.300 -0.142 0.000 2.333 429 W HA -0.103 4.557 4.660 -0.001 0.000 0.316 429 W C 2.385 178.931 176.519 0.045 0.000 1.215 429 W CA 1.401 58.657 57.345 -0.148 0.000 1.278 429 W CB -0.598 28.630 29.460 -0.388 0.000 1.154 429 W HN 0.812 nan 8.180 nan 0.000 0.486 430 S N -1.286 114.673 115.700 0.431 0.000 2.559 430 S HA 0.144 4.614 4.470 -0.000 0.000 0.226 430 S C 0.420 175.381 174.600 0.601 0.000 1.000 430 S CA -0.161 58.286 58.200 0.412 0.000 0.948 430 S CB -0.368 63.113 63.200 0.468 0.000 0.870 430 S HN 0.186 nan 8.310 nan 0.000 0.497 431 N N 1.615 120.523 118.700 0.346 0.000 2.238 431 N HA 0.466 5.205 4.740 -0.000 0.000 0.235 431 N C 0.739 176.296 175.510 0.077 0.000 1.209 431 N CA 0.396 53.674 53.050 0.379 0.000 0.879 431 N CB 1.060 39.641 38.487 0.157 0.000 1.136 431 N HN 0.482 nan 8.380 nan 0.000 0.517 432 G N 0.777 109.168 108.800 -0.681 0.000 2.692 432 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.248 432 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.248 432 G C 0.093 174.582 174.900 -0.686 0.000 1.340 432 G CA -0.126 44.038 45.100 -1.560 0.000 0.896 432 G HN 0.253 nan 8.290 nan 0.000 0.570 433 Y N 1.232 121.133 120.300 -0.663 0.000 2.578 433 Y HA 0.123 4.673 4.550 -0.001 0.000 0.297 433 Y C 2.783 178.553 175.900 -0.218 0.000 1.176 433 Y CA 1.362 59.183 58.100 -0.465 0.000 1.315 433 Y CB 0.231 38.292 38.460 -0.664 0.000 1.031 433 Y HN 0.511 nan 8.280 nan 0.000 0.524 434 E N 0.371 120.615 120.200 0.072 0.000 2.158 434 E HA -0.110 4.239 4.350 -0.000 0.000 0.191 434 E C 0.784 177.440 176.600 0.093 0.000 0.982 434 E CA 0.424 56.927 56.400 0.171 0.000 0.823 434 E CB -0.060 29.843 29.700 0.338 0.000 0.766 434 E HN 0.241 nan 8.360 nan 0.000 0.468 435 K N 2.358 122.701 120.400 -0.095 0.000 2.111 435 K HA 0.082 4.402 4.320 -0.000 0.000 0.249 435 K C -0.439 175.960 176.600 -0.334 0.000 1.157 435 K CA -0.099 55.888 56.287 -0.501 0.000 1.048 435 K CB -0.004 31.953 32.500 -0.904 0.000 1.498 435 K HN -0.097 nan 8.250 nan 0.000 0.344 436 R N 1.857 122.197 120.500 -0.266 0.000 2.490 436 R HA 0.086 4.426 4.340 -0.000 0.000 0.280 436 R C -0.116 176.021 176.300 -0.272 0.000 1.077 436 R CA -0.069 55.921 56.100 -0.184 0.000 1.065 436 R CB 0.499 30.717 30.300 -0.137 0.000 1.003 436 R HN 0.528 nan 8.270 nan 0.000 0.470 437 Y N -0.217 119.936 120.300 -0.245 0.000 2.448 437 Y HA 0.210 4.760 4.550 -0.000 0.000 0.257 437 Y C 1.382 177.137 175.900 -0.240 0.000 1.089 437 Y CA -0.175 57.796 58.100 -0.214 0.000 1.245 437 Y CB 0.907 39.281 38.460 -0.142 0.000 1.282 437 Y HN 0.822 nan 8.280 nan 0.000 0.529 438 G N 0.459 109.190 108.800 -0.116 0.000 2.554 438 G HA2 0.124 4.084 3.960 -0.000 0.000 0.238 438 G HA3 0.124 4.084 3.960 -0.000 0.000 0.238 438 G C 0.846 175.670 174.900 -0.127 0.000 1.259 438 G CA -0.238 44.769 45.100 -0.154 0.000 0.843 438 G HN 0.315 nan 8.290 nan 0.000 0.582 439 L N -0.040 121.097 121.223 -0.142 0.000 2.240 439 L HA 0.196 4.535 4.340 -0.000 0.000 0.211 439 L C 0.141 176.705 176.870 -0.509 0.000 1.106 439 L CA 0.527 55.177 54.840 -0.317 0.000 0.793 439 L CB -0.134 41.686 42.059 -0.398 0.000 0.927 439 L HN 0.315 nan 8.230 nan 0.000 0.446 440 F N -2.282 117.570 119.950 -0.165 0.000 2.520 440 F HA 0.288 4.815 4.527 -0.000 0.000 0.322 440 F C -0.194 175.544 175.800 -0.104 0.000 1.103 440 F CA -1.180 56.745 58.000 -0.125 0.000 0.926 440 F CB 0.855 39.757 39.000 -0.164 0.000 1.154 440 F HN -0.251 nan 8.300 nan 0.000 0.453 441 Y N 3.051 123.351 120.300 0.001 0.000 2.365 441 Y HA 0.573 5.123 4.550 -0.001 0.000 0.340 441 Y C -0.787 175.014 175.900 -0.165 0.000 1.016 441 Y CA -0.693 57.325 58.100 -0.135 0.000 1.196 441 Y CB 0.696 39.025 38.460 -0.218 0.000 1.167 441 Y HN 0.353 nan 8.280 nan 0.000 0.509 442 V N 6.716 126.145 119.914 -0.807 0.000 2.407 442 V HA 0.092 4.212 4.120 -0.000 0.000 0.278 442 V C -0.195 175.195 176.094 -1.173 0.000 1.037 442 V CA -0.783 61.016 62.300 -0.835 0.000 0.900 442 V CB 1.336 32.562 31.823 -0.995 0.000 0.983 442 V HN 0.707 nan 8.190 nan 0.000 0.459 443 D N 4.372 124.427 120.400 -0.576 0.000 2.494 443 D HA 0.166 4.805 4.640 -0.000 0.000 0.217 443 D C 0.926 177.067 176.300 -0.265 0.000 1.153 443 D CA -0.327 53.485 54.000 -0.314 0.000 0.954 443 D CB 0.359 41.219 40.800 0.100 0.000 1.034 443 D HN 0.413 nan 8.370 nan 0.000 0.518 444 F N 1.148 121.014 119.950 -0.140 0.000 2.304 444 F HA -0.197 4.330 4.527 -0.000 0.000 0.301 444 F C 1.952 177.715 175.800 -0.062 0.000 1.052 444 F CA 0.989 58.940 58.000 -0.082 0.000 1.389 444 F CB 0.002 38.955 39.000 -0.078 0.000 1.081 444 F HN 0.354 nan 8.300 nan 0.000 0.538 445 D N -1.349 119.107 120.400 0.094 0.000 2.327 445 D HA -0.017 4.622 4.640 -0.000 0.000 0.205 445 D C 2.078 178.401 176.300 0.039 0.000 0.989 445 D CA 1.682 55.719 54.000 0.062 0.000 0.873 445 D CB -0.089 40.749 40.800 0.065 0.000 0.955 445 D HN 0.394 nan 8.370 nan 0.000 0.515 446 T N -3.125 111.446 114.554 0.029 0.000 2.964 446 T HA 0.013 4.362 4.350 -0.000 0.000 0.249 446 T C 0.889 175.577 174.700 -0.021 0.000 1.000 446 T CA -0.104 62.008 62.100 0.020 0.000 0.992 446 T CB 0.992 69.896 68.868 0.060 0.000 1.087 446 T HN -0.235 nan 8.240 nan 0.000 0.489 447 Q N 0.437 120.200 119.800 -0.062 0.000 2.429 447 Q HA -0.128 4.212 4.340 -0.000 0.000 0.232 447 Q C -0.761 175.160 176.000 -0.132 0.000 0.724 447 Q CA 0.753 56.484 55.803 -0.120 0.000 1.287 447 Q CB -2.066 26.626 28.738 -0.077 0.000 1.429 447 Q HN 0.791 nan 8.270 nan 0.000 0.721 448 E N 0.974 121.119 120.200 -0.091 0.000 2.344 448 E HA 0.291 4.641 4.350 -0.000 0.000 0.270 448 E C 0.056 176.535 176.600 -0.202 0.000 1.021 448 E CA -0.163 56.150 56.400 -0.146 0.000 0.887 448 E CB 0.605 30.247 29.700 -0.096 0.000 0.997 448 E HN 0.021 nan 8.360 nan 0.000 0.429 449 R N 1.883 122.213 120.500 -0.283 0.000 2.428 449 R HA 0.368 4.708 4.340 -0.000 0.000 0.294 449 R C -1.214 174.931 176.300 -0.258 0.000 1.000 449 R CA -0.246 55.752 56.100 -0.170 0.000 0.960 449 R CB 0.628 30.840 30.300 -0.147 0.000 1.076 449 R HN 0.439 nan 8.270 nan 0.000 0.475 450 Y N 2.670 123.065 120.300 0.158 0.000 2.386 450 Y HA 0.338 4.888 4.550 -0.000 0.000 0.334 450 Y C -2.106 173.903 175.900 0.181 0.000 1.002 450 Y CA -2.717 55.504 58.100 0.202 0.000 1.068 450 Y CB 1.980 40.591 38.460 0.253 0.000 1.203 450 Y HN 0.514 nan 8.280 nan 0.000 0.443 451 P HA 0.108 nan 4.420 nan 0.000 0.271 451 P C -0.831 176.461 177.300 -0.014 0.000 1.216 451 P CA -0.164 62.875 63.100 -0.101 0.000 0.771 451 P CB 1.373 32.954 31.700 -0.199 0.000 0.864 452 K N 1.914 122.212 120.400 -0.169 0.000 2.109 452 K HA 0.207 4.526 4.320 -0.000 0.000 0.243 452 K C 1.477 178.116 176.600 0.066 0.000 1.006 452 K CA -0.799 55.462 56.287 -0.043 0.000 0.917 452 K CB 0.911 33.365 32.500 -0.076 0.000 1.081 452 K HN 0.280 nan 8.250 nan 0.000 0.468 453 K N 0.835 121.292 120.400 0.095 0.000 2.211 453 K HA -0.181 4.139 4.320 -0.000 0.000 0.204 453 K C 1.701 178.444 176.600 0.238 0.000 1.047 453 K CA 2.021 58.422 56.287 0.190 0.000 0.935 453 K CB -0.015 32.596 32.500 0.186 0.000 0.728 453 K HN 0.635 nan 8.250 nan 0.000 0.452 454 S N -0.079 115.710 115.700 0.147 0.000 2.406 454 S HA -0.051 4.419 4.470 -0.000 0.000 0.228 454 S C 2.147 176.853 174.600 0.177 0.000 1.020 454 S CA 0.692 59.023 58.200 0.218 0.000 0.965 454 S CB -0.167 63.106 63.200 0.123 0.000 0.798 454 S HN 0.374 nan 8.310 nan 0.000 0.488 455 A N 2.094 124.832 122.820 -0.136 0.000 1.902 455 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 455 A C 1.964 179.514 177.584 -0.057 0.000 1.181 455 A CA 1.762 53.517 52.037 -0.469 0.000 0.623 455 A CB -1.153 17.022 19.000 -1.374 0.000 0.818 455 A HN 0.663 nan 8.150 nan 0.000 0.443 456 H N -3.073 116.064 119.070 0.111 0.000 2.389 456 H HA -0.130 4.426 4.556 -0.000 0.000 0.299 456 H C 1.667 177.142 175.328 0.245 0.000 1.081 456 H CA 1.852 58.073 56.048 0.289 0.000 1.345 456 H CB -0.210 29.699 29.762 0.245 0.000 1.393 456 H HN 0.792 nan 8.280 nan 0.000 0.520 457 W N 0.315 121.757 121.300 0.236 0.000 2.379 457 W HA -0.224 4.436 4.660 -0.000 0.000 0.307 457 W C 1.857 178.465 176.519 0.149 0.000 1.200 457 W CA 1.093 58.536 57.345 0.164 0.000 1.297 457 W CB -0.800 28.749 29.460 0.148 0.000 1.140 457 W HN 0.118 nan 8.180 nan 0.000 0.507 458 Y N 1.788 122.066 120.300 -0.037 0.000 2.207 458 Y HA -0.287 4.263 4.550 -0.000 0.000 0.287 458 Y C 2.720 178.463 175.900 -0.261 0.000 1.156 458 Y CA 2.718 60.683 58.100 -0.224 0.000 1.182 458 Y CB -0.733 37.754 38.460 0.045 0.000 0.979 458 Y HN 0.044 nan 8.280 nan 0.000 0.521 459 K N 0.073 120.487 120.400 0.023 0.000 2.009 459 K HA -0.238 4.082 4.320 -0.000 0.000 0.210 459 K C 2.282 178.744 176.600 -0.229 0.000 1.049 459 K CA 1.680 57.951 56.287 -0.027 0.000 0.929 459 K CB -0.185 32.375 32.500 0.100 0.000 0.714 459 K HN 0.008 nan 8.250 nan 0.000 0.440 460 K N 0.973 121.224 120.400 -0.248 0.000 2.103 460 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 460 K C 2.196 178.506 176.600 -0.485 0.000 1.048 460 K CA 1.073 57.182 56.287 -0.296 0.000 0.930 460 K CB -0.466 31.888 32.500 -0.244 0.000 0.716 460 K HN 0.213 nan 8.250 nan 0.000 0.444 461 L N 0.898 121.666 121.223 -0.758 0.000 1.994 461 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 461 L C 2.221 178.465 176.870 -1.043 0.000 1.071 461 L CA 2.281 56.557 54.840 -0.940 0.000 0.745 461 L CB -0.991 40.302 42.059 -1.277 0.000 0.892 461 L HN 0.155 nan 8.230 nan 0.000 0.431 462 A N 0.093 122.244 122.820 -1.116 0.000 1.884 462 A HA -0.275 4.044 4.320 -0.000 0.000 0.219 462 A C 1.912 179.177 177.584 -0.532 0.000 1.197 462 A CA 2.106 53.504 52.037 -1.064 0.000 0.637 462 A CB -0.972 17.732 19.000 -0.494 0.000 0.827 462 A HN 0.754 nan 8.150 nan 0.000 0.450 463 E N -1.464 118.529 120.200 -0.345 0.000 2.368 463 E HA 0.176 4.526 4.350 -0.000 0.000 0.188 463 E C 0.327 176.823 176.600 -0.174 0.000 1.061 463 E CA 0.720 57.008 56.400 -0.187 0.000 0.933 463 E CB 0.005 29.630 29.700 -0.126 0.000 1.091 463 E HN 0.414 nan 8.360 nan 0.000 0.458 464 T N 0.098 114.509 114.554 -0.238 0.000 3.211 464 T HA -0.081 4.269 4.350 -0.000 0.000 0.261 464 T C 0.123 174.723 174.700 -0.166 0.000 0.880 464 T CA 0.193 62.188 62.100 -0.176 0.000 0.903 464 T CB 0.539 69.294 68.868 -0.188 0.000 1.264 464 T HN 0.229 nan 8.240 nan 0.000 0.532 465 Q N 0.367 120.011 119.800 -0.261 0.000 2.480 465 Q HA -0.144 4.196 4.340 -0.000 0.000 0.265 465 Q C -0.447 175.459 176.000 -0.157 0.000 1.072 465 Q CA 0.410 56.099 55.803 -0.189 0.000 1.018 465 Q CB -2.761 25.977 28.738 -0.000 0.000 1.433 465 Q HN 0.475 nan 8.270 nan 0.000 0.513 466 V N 1.895 121.701 119.914 -0.180 0.000 2.357 466 V HA 0.417 4.536 4.120 -0.000 0.000 0.284 466 V C 0.495 176.516 176.094 -0.121 0.000 1.018 466 V CA -0.663 61.566 62.300 -0.118 0.000 0.841 466 V CB 1.458 33.229 31.823 -0.086 0.000 0.991 466 V HN 0.300 nan 8.190 nan 0.000 0.437 467 I N 7.010 127.540 120.570 -0.067 0.000 2.347 467 I HA 0.379 4.548 4.170 -0.000 0.000 0.294 467 I C 0.487 176.659 176.117 0.092 0.000 1.090 467 I CA 0.389 61.700 61.300 0.019 0.000 1.314 467 I CB 0.081 38.102 38.000 0.036 0.000 1.423 467 I HN 0.801 nan 8.210 nan 0.000 0.503 468 E N 0.000 120.308 120.200 0.180 0.000 2.725 468 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 468 E CA 0.000 56.509 56.400 0.182 0.000 0.976 468 E CB 0.000 29.757 29.700 0.095 0.000 0.812 468 E HN 0.000 nan 8.360 nan 0.000 0.440