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 3h1c_1_M DATA FIRST_RESID 1 DATA SEQUENCE MLNPIVRKFQ YGQHTVTLET GMMARQATAA VMVSMDDTAV FVTVVGQKKA DATA SEQUENCE KPGQDFFPLT VNYQERTYAA GRIPGSFFRR EGRPSEGETL IARLIDRPIR DATA SEQUENCE PLFPEGFVNE VQVIATVVSV NPQVNPDIVA MIGASAALSL SGIPFNGPIG DATA SEQUENCE AARVGYINDQ YVLNPTQDEL KESKLDLVVA GTEAAVLMVE SEAQLLSEDQ DATA SEQUENCE MLGAVVFGHE QQQVVIQNIN ELVKEAGKPR WDWQPEPVNE ALNARVAALA DATA SEQUENCE EARLSDAYRI TDKQERYAQV DVIKSETIAT LLAEDETLDE NELGEILHAI DATA SEQUENCE EKNVVRSRVL AGEPRIDGRE KDMIRGLDVR TGVLPRTHGS ALFTRGETQA DATA SEQUENCE LVTATLGTAR DAQVLDELMG ERTDTFLFHY NFPPYSVGET GMVGSPKRRE DATA SEQUENCE IGHGRLAKRG VLAVMPDMDK FPYTVRVVSE ITESNGSSSM ASVCGASLAL DATA SEQUENCE MDAGVPIKAA VAGIAMGLVK EGDNYVVLSD ILGDEDHLGD MDFKVAGSRD DATA SEQUENCE GISALQMDIK IEGITKEIMQ VALNQAKGAR LHILGVMEQA INAP 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 0.000 176.305 176.300 0.008 0.000 1.140 1 M CA 0.000 55.304 55.300 0.006 0.000 0.988 1 M CB 0.000 32.604 32.600 0.007 0.000 1.302 2 L N 4.711 125.939 121.223 0.008 0.000 2.493 2 L HA 0.808 5.148 4.340 0.000 0.000 0.265 2 L C -1.598 175.279 176.870 0.011 0.000 0.954 2 L CA -0.055 54.792 54.840 0.011 0.000 0.844 2 L CB 1.875 43.940 42.059 0.010 0.000 1.302 2 L HN 0.699 nan 8.230 nan 0.000 0.405 3 N N 4.093 122.802 118.700 0.014 0.000 2.369 3 N HA 0.635 5.375 4.740 0.000 0.000 0.287 3 N C -3.219 172.303 175.510 0.020 0.000 1.067 3 N CA -1.211 51.848 53.050 0.015 0.000 0.888 3 N CB 2.172 40.667 38.487 0.013 0.000 1.616 3 N HN 0.341 nan 8.380 nan 0.000 0.482 4 P HA 0.520 nan 4.420 nan 0.000 0.282 4 P C -0.559 176.757 177.300 0.026 0.000 1.259 4 P CA -0.536 62.581 63.100 0.027 0.000 0.826 4 P CB 1.475 33.192 31.700 0.028 0.000 1.064 5 I N 0.981 121.570 120.570 0.030 0.000 2.355 5 I HA 0.288 4.458 4.170 0.000 0.000 0.288 5 I C -0.349 175.789 176.117 0.034 0.000 0.999 5 I CA -0.901 60.416 61.300 0.029 0.000 1.163 5 I CB 1.759 39.775 38.000 0.026 0.000 1.316 5 I HN -0.030 nan 8.210 nan 0.000 0.454 6 V N 6.643 126.578 119.914 0.034 0.000 2.555 6 V HA 0.561 4.681 4.120 0.000 0.000 0.302 6 V C -0.155 175.968 176.094 0.049 0.000 1.038 6 V CA -0.732 61.593 62.300 0.041 0.000 0.887 6 V CB 2.004 33.848 31.823 0.034 0.000 0.991 6 V HN 0.704 nan 8.190 nan 0.000 0.434 7 R N 3.467 124.008 120.500 0.068 0.000 2.532 7 R HA 0.580 4.920 4.340 0.000 0.000 0.297 7 R C -1.149 175.233 176.300 0.138 0.000 0.984 7 R CA -0.683 55.476 56.100 0.098 0.000 0.884 7 R CB 1.618 31.979 30.300 0.102 0.000 1.182 7 R HN 0.738 nan 8.270 nan 0.000 0.442 8 K N 4.551 125.029 120.400 0.131 0.000 2.270 8 K HA 0.435 4.755 4.320 0.000 0.000 0.255 8 K C -1.313 175.409 176.600 0.203 0.000 0.936 8 K CA -0.700 55.644 56.287 0.096 0.000 0.809 8 K CB 1.641 34.160 32.500 0.031 0.000 1.131 8 K HN 0.441 nan 8.250 nan 0.000 0.427 9 F N -0.865 119.104 119.950 0.032 0.000 2.591 9 F HA 0.308 4.835 4.527 0.000 0.000 0.309 9 F C -0.692 175.155 175.800 0.079 0.000 1.098 9 F CA -1.148 56.878 58.000 0.043 0.000 0.937 9 F CB 1.422 40.438 39.000 0.028 0.000 1.250 9 F HN 0.356 nan 8.300 nan 0.000 0.447 10 Q N 3.277 123.181 119.800 0.174 0.000 2.369 10 Q HA 0.164 4.504 4.340 0.000 0.000 0.247 10 Q C -1.819 174.317 176.000 0.227 0.000 1.083 10 Q CA -0.467 55.401 55.803 0.108 0.000 0.905 10 Q CB 0.382 29.166 28.738 0.077 0.000 1.305 10 Q HN 0.772 nan 8.270 nan 0.000 0.465 11 Y N 3.987 124.311 120.300 0.040 0.000 2.717 11 Y HA 0.388 4.938 4.550 0.000 0.000 0.329 11 Y C 0.465 176.413 175.900 0.082 0.000 1.017 11 Y CA -0.184 57.988 58.100 0.121 0.000 1.275 11 Y CB 0.493 39.056 38.460 0.171 0.000 1.109 11 Y HN 0.832 nan 8.280 nan 0.000 0.511 12 G N 4.999 113.670 108.800 -0.214 0.000 2.367 12 G HA2 -0.285 3.676 3.960 0.000 0.000 0.295 12 G HA3 -0.285 3.676 3.960 0.000 0.000 0.295 12 G C 0.259 175.042 174.900 -0.196 0.000 1.019 12 G CA 0.994 45.937 45.100 -0.262 0.000 1.224 12 G HN 0.973 nan 8.290 nan 0.000 0.510 13 Q N -1.978 117.722 119.800 -0.167 0.000 2.340 13 Q HA -0.194 4.146 4.340 0.000 0.000 0.174 13 Q C 0.357 176.123 176.000 -0.389 0.000 0.585 13 Q CA 2.321 57.967 55.803 -0.262 0.000 1.358 13 Q CB -1.413 27.119 28.738 -0.344 0.000 1.286 13 Q HN 0.985 nan 8.270 nan 0.000 0.940 14 H N -0.855 118.188 119.070 -0.044 0.000 2.679 14 H HA 0.614 5.171 4.556 0.000 0.000 0.367 14 H C -0.584 174.721 175.328 -0.037 0.000 1.162 14 H CA 0.088 56.120 56.048 -0.028 0.000 1.181 14 H CB 1.897 31.652 29.762 -0.011 0.000 1.693 14 H HN 0.045 nan 8.280 nan 0.000 0.538 15 T N 2.234 116.837 114.554 0.081 0.000 2.771 15 T HA 0.344 4.694 4.350 0.000 0.000 0.281 15 T C 0.150 174.770 174.700 -0.133 0.000 0.982 15 T CA -0.672 61.401 62.100 -0.045 0.000 0.978 15 T CB 1.052 69.903 68.868 -0.029 0.000 0.930 15 T HN 0.168 nan 8.240 nan 0.000 0.447 16 V N 3.879 123.570 119.914 -0.370 0.000 2.398 16 V HA 0.471 4.591 4.120 0.000 0.000 0.286 16 V C 0.257 176.123 176.094 -0.381 0.000 1.026 16 V CA -0.731 61.288 62.300 -0.467 0.000 0.868 16 V CB 1.579 32.889 31.823 -0.854 0.000 0.982 16 V HN 0.980 nan 8.190 nan 0.000 0.443 17 T N 6.680 121.137 114.554 -0.161 0.000 2.797 17 T HA 0.693 5.043 4.350 0.000 0.000 0.279 17 T C -0.441 174.259 174.700 0.001 0.000 0.991 17 T CA -0.337 61.728 62.100 -0.058 0.000 0.979 17 T CB 0.984 69.837 68.868 -0.024 0.000 0.943 17 T HN 0.393 nan 8.240 nan 0.000 0.444 18 L N 2.512 123.764 121.223 0.049 0.000 2.342 18 L HA 0.721 5.061 4.340 0.000 0.000 0.276 18 L C 0.296 177.203 176.870 0.061 0.000 0.997 18 L CA -0.817 54.065 54.840 0.070 0.000 0.838 18 L CB 1.104 43.230 42.059 0.111 0.000 1.224 18 L HN 0.786 nan 8.230 nan 0.000 0.416 19 E N 1.489 121.727 120.200 0.062 0.000 2.176 19 E HA 0.721 5.071 4.350 0.000 0.000 0.267 19 E C -0.772 175.872 176.600 0.073 0.000 0.893 19 E CA -0.596 55.842 56.400 0.064 0.000 0.761 19 E CB 2.519 32.258 29.700 0.065 0.000 1.133 19 E HN 0.498 nan 8.360 nan 0.000 0.409 20 T N -0.449 114.141 114.554 0.060 0.000 2.843 20 T HA 0.658 5.008 4.350 0.000 0.000 0.302 20 T C 0.893 175.624 174.700 0.052 0.000 1.232 20 T CA 1.086 63.221 62.100 0.058 0.000 1.009 20 T CB 1.089 69.977 68.868 0.032 0.000 1.254 20 T HN 1.961 nan 8.240 nan 0.000 0.504 21 G N 1.672 110.505 108.800 0.055 0.000 2.195 21 G HA2 -0.252 3.708 3.960 0.000 0.000 0.246 21 G HA3 -0.252 3.708 3.960 0.000 0.000 0.246 21 G C 0.682 175.613 174.900 0.051 0.000 0.984 21 G CA 0.948 46.076 45.100 0.047 0.000 0.633 21 G HN 0.792 nan 8.290 nan 0.000 0.525 22 M N -0.414 119.224 119.600 0.063 0.000 2.940 22 M HA 0.583 5.063 4.480 0.000 0.000 0.248 22 M C 1.209 177.551 176.300 0.069 0.000 1.379 22 M CA 0.380 55.712 55.300 0.054 0.000 1.262 22 M CB 0.373 32.998 32.600 0.041 0.000 1.201 22 M HN 0.173 nan 8.290 nan 0.000 0.553 23 M N 1.663 121.329 119.600 0.109 0.000 2.235 23 M HA 0.344 4.824 4.480 0.000 0.000 0.351 23 M C 0.366 176.807 176.300 0.234 0.000 1.178 23 M CA -0.015 55.375 55.300 0.150 0.000 1.143 23 M CB 0.958 33.653 32.600 0.159 0.000 1.530 23 M HN 0.463 nan 8.290 nan 0.000 0.461 24 A N 2.334 125.284 122.820 0.216 0.000 2.060 24 A HA -0.195 4.125 4.320 0.000 0.000 0.267 24 A C 1.096 178.748 177.584 0.114 0.000 1.378 24 A CA 0.862 53.011 52.037 0.187 0.000 0.733 24 A CB -1.169 17.983 19.000 0.255 0.000 1.188 24 A HN 1.037 nan 8.150 nan 0.000 0.311 25 R N -0.251 120.299 120.500 0.084 0.000 2.153 25 R HA -0.085 4.255 4.340 0.000 0.000 0.218 25 R C 2.109 178.444 176.300 0.059 0.000 1.072 25 R CA 1.521 57.660 56.100 0.064 0.000 0.990 25 R CB -0.085 30.245 30.300 0.050 0.000 0.889 25 R HN 0.887 nan 8.270 nan 0.000 0.452 26 Q N -0.175 119.661 119.800 0.059 0.000 2.187 26 Q HA 0.069 4.409 4.340 0.000 0.000 0.199 26 Q C 0.580 176.617 176.000 0.061 0.000 0.957 26 Q CA 0.687 56.522 55.803 0.054 0.000 0.857 26 Q CB 0.149 28.916 28.738 0.050 0.000 0.929 26 Q HN 0.205 nan 8.270 nan 0.000 0.453 27 A N 0.947 123.804 122.820 0.063 0.000 2.366 27 A HA 0.141 4.461 4.320 0.000 0.000 0.249 27 A C 1.218 178.841 177.584 0.065 0.000 1.084 27 A CA -0.068 52.003 52.037 0.057 0.000 0.794 27 A CB 0.396 19.419 19.000 0.037 0.000 1.034 27 A HN 0.185 nan 8.150 nan 0.000 0.491 28 T N 0.607 115.208 114.554 0.078 0.000 2.746 28 T HA 0.241 4.591 4.350 0.000 0.000 0.267 28 T C 0.766 175.500 174.700 0.057 0.000 1.039 28 T CA 1.729 63.895 62.100 0.109 0.000 1.142 28 T CB -0.254 68.705 68.868 0.151 0.000 0.866 28 T HN 1.455 nan 8.240 nan 0.000 0.444 29 A N -0.164 122.659 122.820 0.004 0.000 2.566 29 A HA 0.784 5.104 4.320 0.000 0.000 0.297 29 A C -1.566 175.973 177.584 -0.075 0.000 1.059 29 A CA -0.455 51.563 52.037 -0.031 0.000 0.691 29 A CB 1.341 20.302 19.000 -0.066 0.000 1.282 29 A HN 0.531 nan 8.150 nan 0.000 0.401 30 A N 1.086 123.863 122.820 -0.072 0.000 2.429 30 A HA 0.684 5.004 4.320 0.000 0.000 0.289 30 A C -1.280 176.256 177.584 -0.080 0.000 1.043 30 A CA -0.399 51.547 52.037 -0.151 0.000 0.722 30 A CB 1.241 20.187 19.000 -0.090 0.000 1.243 30 A HN 1.644 nan 8.150 nan 0.000 0.415 31 V N 2.425 122.256 119.914 -0.139 0.000 2.540 31 V HA 0.544 4.664 4.120 0.000 0.000 0.302 31 V C -0.229 175.886 176.094 0.035 0.000 1.035 31 V CA -0.458 61.826 62.300 -0.027 0.000 0.873 31 V CB 1.682 33.480 31.823 -0.041 0.000 0.992 31 V HN 0.966 nan 8.190 nan 0.000 0.428 32 M N 6.397 126.085 119.600 0.146 0.000 2.151 32 M HA 0.459 4.939 4.480 0.000 0.000 0.349 32 M C -0.863 175.501 176.300 0.106 0.000 1.284 32 M CA -0.007 55.416 55.300 0.204 0.000 1.173 32 M CB 0.585 33.311 32.600 0.209 0.000 1.469 32 M HN 0.473 nan 8.290 nan 0.000 0.439 33 V N 4.095 124.060 119.914 0.086 0.000 2.350 33 V HA 0.717 4.837 4.120 0.000 0.000 0.276 33 V C -0.254 175.864 176.094 0.040 0.000 1.028 33 V CA -0.657 61.671 62.300 0.048 0.000 0.860 33 V CB 0.778 32.621 31.823 0.034 0.000 0.990 33 V HN 0.866 nan 8.190 nan 0.000 0.453 34 S N 5.099 120.807 115.700 0.013 0.000 2.647 34 S HA 0.786 5.256 4.470 0.000 0.000 0.300 34 S C -0.829 173.752 174.600 -0.032 0.000 1.129 34 S CA -0.707 57.495 58.200 0.003 0.000 1.029 34 S CB 1.764 64.972 63.200 0.014 0.000 1.007 34 S HN 0.832 nan 8.310 nan 0.000 0.484 35 M N 3.886 123.465 119.600 -0.036 0.000 2.181 35 M HA 0.400 4.880 4.480 0.000 0.000 0.323 35 M C 0.144 176.416 176.300 -0.045 0.000 1.004 35 M CA 0.099 55.365 55.300 -0.056 0.000 0.941 35 M CB 1.106 33.667 32.600 -0.066 0.000 1.579 35 M HN 0.998 nan 8.290 nan 0.000 0.427 36 D N 2.599 122.999 120.400 0.000 0.000 4.271 36 D HA -0.263 4.377 4.640 0.000 0.000 0.214 36 D C 0.137 176.450 176.300 0.023 0.000 1.148 36 D CA 2.681 56.710 54.000 0.048 0.000 2.322 36 D CB -0.575 40.261 40.800 0.059 0.000 1.183 36 D HN 0.899 nan 8.370 nan 0.000 0.405 37 D N -2.056 118.345 120.400 0.003 0.000 2.001 37 D HA 0.132 4.772 4.640 0.000 0.000 0.348 37 D C 0.018 176.322 176.300 0.006 0.000 1.074 37 D CA 0.994 54.999 54.000 0.009 0.000 0.928 37 D CB -0.014 40.795 40.800 0.015 0.000 1.823 37 D HN 0.362 nan 8.370 nan 0.000 0.540 38 T N 1.039 115.590 114.554 -0.005 0.000 2.734 38 T HA 0.557 4.907 4.350 0.000 0.000 0.314 38 T C 0.247 174.956 174.700 0.016 0.000 1.057 38 T CA -0.008 62.095 62.100 0.004 0.000 1.047 38 T CB 1.165 70.030 68.868 -0.005 0.000 0.991 38 T HN 0.204 nan 8.240 nan 0.000 0.540 39 A N 0.519 123.359 122.820 0.033 0.000 2.555 39 A HA 0.604 4.924 4.320 0.000 0.000 0.297 39 A C -1.337 176.293 177.584 0.076 0.000 1.060 39 A CA -0.739 51.330 52.037 0.053 0.000 0.710 39 A CB 1.420 20.455 19.000 0.057 0.000 1.282 39 A HN 0.636 nan 8.150 nan 0.000 0.399 40 V N 2.328 122.301 119.914 0.098 0.000 2.482 40 V HA 0.417 4.537 4.120 0.000 0.000 0.295 40 V C -0.924 175.268 176.094 0.164 0.000 1.026 40 V CA -0.319 62.052 62.300 0.119 0.000 0.856 40 V CB 1.388 33.284 31.823 0.121 0.000 1.001 40 V HN 0.869 nan 8.190 nan 0.000 0.424 41 F N 6.383 126.345 119.950 0.020 0.000 2.434 41 F HA 0.574 5.101 4.527 0.000 0.000 0.358 41 F C -0.057 175.755 175.800 0.019 0.000 1.136 41 F CA -0.312 57.700 58.000 0.020 0.000 1.157 41 F CB 0.831 39.845 39.000 0.023 0.000 1.167 41 F HN 0.279 nan 8.300 nan 0.000 0.539 42 V N 5.180 124.849 119.914 -0.408 0.000 2.459 42 V HA 0.515 4.635 4.120 0.000 0.000 0.295 42 V C -0.130 175.652 176.094 -0.520 0.000 1.029 42 V CA -0.607 61.487 62.300 -0.343 0.000 0.874 42 V CB 1.677 33.407 31.823 -0.155 0.000 0.985 42 V HN 0.813 nan 8.190 nan 0.000 0.438 43 T N 1.495 115.817 114.554 -0.387 0.000 2.876 43 T HA 0.809 5.159 4.350 0.000 0.000 0.289 43 T C -0.880 173.728 174.700 -0.154 0.000 1.014 43 T CA -0.783 61.136 62.100 -0.301 0.000 0.986 43 T CB 1.897 70.608 68.868 -0.261 0.000 1.021 43 T HN 0.299 nan 8.240 nan 0.000 0.458 44 V N 2.580 122.424 119.914 -0.116 0.000 2.531 44 V HA 0.568 4.688 4.120 0.000 0.000 0.301 44 V C -0.598 175.480 176.094 -0.026 0.000 1.034 44 V CA -0.764 61.493 62.300 -0.072 0.000 0.865 44 V CB 1.912 33.675 31.823 -0.101 0.000 0.995 44 V HN 0.912 nan 8.190 nan 0.000 0.424 45 V N 3.817 123.731 119.914 0.001 0.000 2.378 45 V HA 0.747 4.867 4.120 0.000 0.000 0.288 45 V C 0.579 176.717 176.094 0.073 0.000 1.016 45 V CA -0.330 61.998 62.300 0.046 0.000 0.840 45 V CB 1.766 33.613 31.823 0.041 0.000 0.994 45 V HN 0.948 nan 8.190 nan 0.000 0.431 46 G N 3.613 112.502 108.800 0.147 0.000 2.422 46 G HA2 0.539 4.499 3.960 0.000 0.000 0.317 46 G HA3 0.539 4.499 3.960 0.000 0.000 0.317 46 G C -0.629 174.525 174.900 0.423 0.000 1.210 46 G CA -0.475 44.758 45.100 0.222 0.000 0.930 46 G HN 0.633 nan 8.290 nan 0.000 0.468 47 Q N 1.305 121.294 119.800 0.316 0.000 2.314 47 Q HA 0.135 4.475 4.340 0.000 0.000 0.258 47 Q C 1.045 177.259 176.000 0.358 0.000 0.954 47 Q CA -0.382 55.573 55.803 0.254 0.000 0.890 47 Q CB 1.969 30.777 28.738 0.118 0.000 1.210 47 Q HN 0.600 nan 8.270 nan 0.000 0.410 48 K N 2.610 123.108 120.400 0.163 0.000 2.025 48 K HA -0.127 4.193 4.320 0.000 0.000 0.207 48 K C -0.021 176.617 176.600 0.063 0.000 1.049 48 K CA 1.472 57.746 56.287 -0.021 0.000 0.933 48 K CB 0.277 32.699 32.500 -0.130 0.000 0.714 48 K HN 0.507 nan 8.250 nan 0.000 0.438 49 K N -0.817 119.615 120.400 0.054 0.000 2.316 49 K HA 0.676 4.996 4.320 0.000 0.000 0.251 49 K C -1.221 175.396 176.600 0.028 0.000 0.934 49 K CA -0.955 55.361 56.287 0.047 0.000 0.802 49 K CB 2.248 34.759 32.500 0.018 0.000 1.171 49 K HN 0.006 nan 8.250 nan 0.000 0.426 50 A N 1.291 124.118 122.820 0.012 0.000 2.269 50 A HA 0.385 4.705 4.320 0.000 0.000 0.319 50 A C -0.508 177.064 177.584 -0.021 0.000 1.110 50 A CA -0.780 51.241 52.037 -0.028 0.000 0.847 50 A CB 1.058 20.017 19.000 -0.068 0.000 1.161 50 A HN 0.577 nan 8.150 nan 0.000 0.497 51 K N 1.310 121.690 120.400 -0.035 0.000 2.412 51 K HA 0.198 4.518 4.320 0.000 0.000 0.281 51 K C -1.660 174.933 176.600 -0.013 0.000 1.027 51 K CA -0.580 55.694 56.287 -0.021 0.000 0.989 51 K CB 0.606 33.091 32.500 -0.024 0.000 0.935 51 K HN 0.645 nan 8.250 nan 0.000 0.475 52 P HA -0.053 nan 4.420 nan 0.000 0.222 52 P C 0.750 178.056 177.300 0.010 0.000 1.147 52 P CA 1.091 64.193 63.100 0.004 0.000 0.790 52 P CB 0.055 31.758 31.700 0.005 0.000 0.780 53 G N 0.374 109.181 108.800 0.012 0.000 3.882 53 G HA2 0.141 4.101 3.960 0.000 0.000 0.283 53 G HA3 0.141 4.101 3.960 0.000 0.000 0.283 53 G C 0.124 175.043 174.900 0.032 0.000 1.283 53 G CA -0.119 44.996 45.100 0.025 0.000 1.402 53 G HN 0.102 nan 8.290 nan 0.000 0.618 54 Q N 0.171 119.982 119.800 0.018 0.000 2.394 54 Q HA 0.309 4.650 4.340 0.000 0.000 0.273 54 Q C -0.294 175.725 176.000 0.032 0.000 1.089 54 Q CA -0.519 55.287 55.803 0.005 0.000 0.812 54 Q CB 2.637 31.325 28.738 -0.084 0.000 1.353 54 Q HN 0.464 nan 8.270 nan 0.000 0.438 55 D N -0.432 120.016 120.400 0.079 0.000 2.212 55 D HA 0.008 4.648 4.640 0.000 0.000 0.311 55 D C 0.420 176.813 176.300 0.155 0.000 1.091 55 D CA 0.111 54.181 54.000 0.116 0.000 0.910 55 D CB -0.188 40.696 40.800 0.139 0.000 1.707 55 D HN 0.350 nan 8.370 nan 0.000 0.522 56 F N 0.562 120.535 119.950 0.038 0.000 2.399 56 F HA 0.634 5.161 4.527 0.000 0.000 0.328 56 F C -0.408 175.446 175.800 0.091 0.000 1.084 56 F CA -1.866 56.169 58.000 0.058 0.000 1.053 56 F CB 0.852 39.870 39.000 0.030 0.000 1.209 56 F HN -0.216 nan 8.300 nan 0.000 0.502 57 F N 5.201 125.102 119.950 -0.081 0.000 2.413 57 F HA 0.511 5.038 4.527 0.000 0.000 0.359 57 F C -2.541 173.135 175.800 -0.208 0.000 1.122 57 F CA -3.553 54.327 58.000 -0.201 0.000 1.160 57 F CB 0.358 39.317 39.000 -0.068 0.000 1.146 57 F HN 0.276 nan 8.300 nan 0.000 0.514 58 P HA 0.272 nan 4.420 nan 0.000 0.291 58 P C -1.339 175.418 177.300 -0.905 0.000 1.378 58 P CA -0.316 62.362 63.100 -0.702 0.000 0.853 58 P CB 1.372 32.733 31.700 -0.565 0.000 1.002 59 L N 3.366 124.142 121.223 -0.744 0.000 2.316 59 L HA 0.562 4.902 4.340 0.000 0.000 0.280 59 L C -0.470 176.264 176.870 -0.227 0.000 1.006 59 L CA -0.084 54.417 54.840 -0.565 0.000 0.836 59 L CB 1.803 43.552 42.059 -0.517 0.000 1.221 59 L HN 0.265 nan 8.230 nan 0.000 0.418 60 T N 4.802 119.260 114.554 -0.160 0.000 2.786 60 T HA 0.665 5.015 4.350 0.000 0.000 0.283 60 T C -1.130 173.548 174.700 -0.036 0.000 0.992 60 T CA -0.393 61.662 62.100 -0.074 0.000 0.954 60 T CB 0.717 69.550 68.868 -0.059 0.000 0.934 60 T HN 0.314 nan 8.240 nan 0.000 0.440 61 V N 6.607 126.516 119.914 -0.007 0.000 2.384 61 V HA 0.508 4.628 4.120 0.000 0.000 0.287 61 V C -0.369 175.749 176.094 0.040 0.000 1.020 61 V CA -1.069 61.243 62.300 0.020 0.000 0.850 61 V CB 1.528 33.371 31.823 0.034 0.000 0.987 61 V HN 0.805 nan 8.190 nan 0.000 0.436 62 N N 3.751 122.478 118.700 0.046 0.000 2.469 62 N HA 0.356 5.096 4.740 0.000 0.000 0.253 62 N C -1.190 174.383 175.510 0.106 0.000 0.970 62 N CA -0.313 52.773 53.050 0.059 0.000 0.940 62 N CB 1.571 40.073 38.487 0.025 0.000 1.128 62 N HN 0.730 nan 8.380 nan 0.000 0.503 63 Y N 1.554 121.849 120.300 -0.008 0.000 2.335 63 Y HA 0.371 4.921 4.550 0.000 0.000 0.338 63 Y C -0.774 175.123 175.900 -0.006 0.000 0.977 63 Y CA -0.437 57.658 58.100 -0.007 0.000 1.114 63 Y CB 1.080 39.535 38.460 -0.007 0.000 1.182 63 Y HN 0.357 nan 8.280 nan 0.000 0.463 64 Q N 4.842 124.311 119.800 -0.551 0.000 2.289 64 Q HA 0.291 4.631 4.340 0.000 0.000 0.270 64 Q C -1.496 174.182 176.000 -0.538 0.000 1.038 64 Q CA -0.877 54.681 55.803 -0.408 0.000 0.812 64 Q CB 2.596 31.224 28.738 -0.184 0.000 1.300 64 Q HN 0.677 nan 8.270 nan 0.000 0.427 65 E N 2.541 122.505 120.200 -0.392 0.000 2.046 65 E HA 0.234 4.584 4.350 0.000 0.000 0.279 65 E C -0.571 175.877 176.600 -0.254 0.000 0.989 65 E CA -0.620 55.596 56.400 -0.305 0.000 0.798 65 E CB 0.933 30.531 29.700 -0.170 0.000 1.086 65 E HN 0.074 nan 8.360 nan 0.000 0.399 66 R N 1.422 121.717 120.500 -0.342 0.000 2.491 66 R HA 0.035 4.375 4.340 0.000 0.000 0.283 66 R C 1.297 177.301 176.300 -0.493 0.000 1.072 66 R CA 0.111 55.914 56.100 -0.495 0.000 1.048 66 R CB 0.667 30.422 30.300 -0.909 0.000 0.983 66 R HN 0.643 nan 8.270 nan 0.000 0.450 67 T N -0.921 113.430 114.554 -0.339 0.000 2.995 67 T HA -0.142 4.208 4.350 0.000 0.000 0.269 67 T C 1.638 176.270 174.700 -0.114 0.000 1.091 67 T CA 1.059 63.061 62.100 -0.163 0.000 1.128 67 T CB -0.340 68.499 68.868 -0.049 0.000 0.891 67 T HN 0.750 nan 8.240 nan 0.000 0.492 68 Y N 0.699 120.994 120.300 -0.009 0.000 2.632 68 Y HA 0.628 5.178 4.550 0.000 0.000 0.301 68 Y C 2.398 178.293 175.900 -0.009 0.000 1.172 68 Y CA -0.417 57.678 58.100 -0.010 0.000 1.328 68 Y CB -0.755 37.697 38.460 -0.014 0.000 1.016 68 Y HN 0.240 nan 8.280 nan 0.000 0.529 69 A N 1.151 123.911 122.820 -0.101 0.000 1.969 69 A HA 0.070 4.390 4.320 0.000 0.000 0.218 69 A C 2.343 179.936 177.584 0.015 0.000 1.169 69 A CA 1.559 53.579 52.037 -0.028 0.000 0.635 69 A CB -0.900 18.030 19.000 -0.117 0.000 0.810 69 A HN 0.605 nan 8.150 nan 0.000 0.445 70 A N -2.316 120.505 122.820 0.003 0.000 2.014 70 A HA 0.454 4.774 4.320 0.000 0.000 0.210 70 A C 1.587 179.189 177.584 0.030 0.000 1.188 70 A CA 1.233 53.278 52.037 0.015 0.000 0.731 70 A CB -0.278 18.724 19.000 0.004 0.000 0.858 70 A HN 1.876 nan 8.150 nan 0.000 0.464 71 G N -0.715 108.112 108.800 0.045 0.000 2.327 71 G HA2 -0.099 3.861 3.960 0.000 0.000 0.159 71 G HA3 -0.099 3.861 3.960 0.000 0.000 0.159 71 G C -0.233 174.691 174.900 0.039 0.000 1.056 71 G CA -0.110 45.021 45.100 0.051 0.000 0.751 71 G HN 0.522 nan 8.290 nan 0.000 0.488 72 R N -0.763 119.760 120.500 0.039 0.000 2.621 72 R HA 0.577 4.917 4.340 0.000 0.000 0.284 72 R C 0.105 176.425 176.300 0.033 0.000 0.998 72 R CA -0.994 55.123 56.100 0.029 0.000 0.895 72 R CB 1.726 32.038 30.300 0.019 0.000 1.195 72 R HN 0.216 nan 8.270 nan 0.000 0.450 73 I N 3.999 124.586 120.570 0.029 0.000 2.496 73 I HA 0.154 4.324 4.170 0.000 0.000 0.285 73 I C -1.722 174.409 176.117 0.023 0.000 1.080 73 I CA -1.759 59.558 61.300 0.029 0.000 1.404 73 I CB 0.591 38.601 38.000 0.017 0.000 1.403 73 I HN 0.254 nan 8.210 nan 0.000 0.539 74 P HA -0.060 nan 4.420 nan 0.000 0.264 74 P C 0.877 178.196 177.300 0.032 0.000 1.173 74 P CA 0.217 63.335 63.100 0.031 0.000 0.761 74 P CB 0.509 32.234 31.700 0.043 0.000 0.794 75 G N 1.498 110.321 108.800 0.038 0.000 2.920 75 G HA2 -0.025 3.935 3.960 0.000 0.000 0.208 75 G HA3 -0.025 3.935 3.960 0.000 0.000 0.208 75 G C 0.474 175.415 174.900 0.068 0.000 1.159 75 G CA 0.033 45.159 45.100 0.043 0.000 0.784 75 G HN 0.484 nan 8.290 nan 0.000 0.535 76 S N -0.787 114.964 115.700 0.086 0.000 2.608 76 S HA 0.266 4.736 4.470 0.000 0.000 0.261 76 S C 0.747 175.442 174.600 0.158 0.000 1.314 76 S CA -0.699 57.587 58.200 0.143 0.000 0.992 76 S CB 0.991 64.289 63.200 0.164 0.000 0.935 76 S HN 0.232 nan 8.310 nan 0.000 0.564 77 F N 0.340 120.326 119.950 0.060 0.000 2.186 77 F HA 0.013 4.540 4.527 0.000 0.000 0.299 77 F C 1.313 177.041 175.800 -0.120 0.000 1.090 77 F CA 1.463 59.434 58.000 -0.049 0.000 1.307 77 F CB -0.091 38.848 39.000 -0.102 0.000 1.019 77 F HN 0.567 nan 8.300 nan 0.000 0.489 78 F N 0.639 120.650 119.950 0.102 0.000 2.780 78 F HA 0.137 4.664 4.527 0.000 0.000 0.299 78 F C 0.722 176.504 175.800 -0.029 0.000 1.146 78 F CA 0.209 58.219 58.000 0.017 0.000 1.428 78 F CB -0.056 38.998 39.000 0.089 0.000 1.115 78 F HN -0.193 nan 8.300 nan 0.000 0.583 79 R N 0.804 121.374 120.500 0.116 0.000 3.525 79 R HA -0.229 4.111 4.340 0.000 0.000 0.276 79 R C -0.139 176.215 176.300 0.090 0.000 1.116 79 R CA 0.448 56.586 56.100 0.064 0.000 0.745 79 R CB -2.338 27.963 30.300 0.001 0.000 1.185 79 R HN 0.414 nan 8.270 nan 0.000 0.454 80 R N 0.513 121.085 120.500 0.120 0.000 2.698 80 R HA 0.344 4.684 4.340 0.000 0.000 0.275 80 R C -0.716 175.621 176.300 0.061 0.000 1.001 80 R CA -0.694 55.459 56.100 0.088 0.000 0.896 80 R CB 1.716 32.071 30.300 0.092 0.000 1.218 80 R HN 0.036 nan 8.270 nan 0.000 0.462 81 E N -0.012 120.208 120.200 0.034 0.000 2.254 81 E HA 0.568 4.918 4.350 0.000 0.000 0.261 81 E C 0.046 176.646 176.600 0.000 0.000 1.051 81 E CA -0.036 56.370 56.400 0.011 0.000 0.902 81 E CB 1.424 31.115 29.700 -0.015 0.000 1.168 81 E HN 0.800 nan 8.360 nan 0.000 0.423 82 G N 0.738 109.533 108.800 -0.007 0.000 2.189 82 G HA2 -0.179 3.781 3.960 0.000 0.000 0.113 82 G HA3 -0.179 3.781 3.960 0.000 0.000 0.113 82 G C -0.486 174.407 174.900 -0.012 0.000 1.038 82 G CA -0.438 44.654 45.100 -0.013 0.000 0.704 82 G HN 0.311 nan 8.290 nan 0.000 0.490 83 R N 1.205 121.705 120.500 0.001 0.000 2.467 83 R HA 0.483 4.823 4.340 0.000 0.000 0.299 83 R C -2.222 174.088 176.300 0.016 0.000 1.120 83 R CA -1.529 54.575 56.100 0.008 0.000 0.940 83 R CB 1.452 31.761 30.300 0.016 0.000 1.161 83 R HN 0.131 nan 8.270 nan 0.000 0.506 84 P HA -0.039 nan 4.420 nan 0.000 0.260 84 P C -0.249 177.073 177.300 0.037 0.000 1.185 84 P CA 0.211 63.327 63.100 0.026 0.000 0.763 84 P CB 1.289 33.007 31.700 0.029 0.000 0.776 85 S N 1.311 117.036 115.700 0.043 0.000 2.600 85 S HA -0.013 4.457 4.470 0.000 0.000 0.265 85 S C 1.429 176.063 174.600 0.058 0.000 1.325 85 S CA -0.371 57.859 58.200 0.050 0.000 1.002 85 S CB 0.491 63.720 63.200 0.049 0.000 0.921 85 S HN 0.605 nan 8.310 nan 0.000 0.554 86 E N 2.090 122.324 120.200 0.057 0.000 2.153 86 E HA -0.099 4.251 4.350 0.000 0.000 0.194 86 E C 1.752 178.382 176.600 0.051 0.000 0.988 86 E CA 1.242 57.676 56.400 0.057 0.000 0.811 86 E CB -0.649 29.087 29.700 0.062 0.000 0.746 86 E HN 0.851 nan 8.360 nan 0.000 0.466 87 G N 0.477 109.311 108.800 0.056 0.000 2.396 87 G HA2 -0.221 3.740 3.960 0.000 0.000 0.214 87 G HA3 -0.221 3.740 3.960 0.000 0.000 0.214 87 G C 1.265 176.214 174.900 0.081 0.000 1.166 87 G CA 0.481 45.615 45.100 0.057 0.000 0.793 87 G HN 0.264 nan 8.290 nan 0.000 0.533 88 E N 0.156 120.429 120.200 0.122 0.000 2.153 88 E HA -0.096 4.254 4.350 0.000 0.000 0.194 88 E C 2.627 179.336 176.600 0.182 0.000 0.988 88 E CA 1.390 57.926 56.400 0.226 0.000 0.811 88 E CB -0.100 29.704 29.700 0.173 0.000 0.746 88 E HN 0.372 nan 8.360 nan 0.000 0.466 89 T N 1.099 115.708 114.554 0.091 0.000 2.951 89 T HA -0.045 4.305 4.350 0.000 0.000 0.268 89 T C 1.917 176.622 174.700 0.009 0.000 1.073 89 T CA 0.544 62.675 62.100 0.052 0.000 1.134 89 T CB -0.025 68.864 68.868 0.035 0.000 0.884 89 T HN 0.078 nan 8.240 nan 0.000 0.479 90 L N 0.005 121.226 121.223 -0.005 0.000 2.072 90 L HA 0.036 4.376 4.340 0.000 0.000 0.205 90 L C 2.267 179.081 176.870 -0.094 0.000 1.079 90 L CA 0.994 55.810 54.840 -0.040 0.000 0.752 90 L CB -0.503 41.538 42.059 -0.029 0.000 0.906 90 L HN 0.187 nan 8.230 nan 0.000 0.436 91 I N 0.130 120.600 120.570 -0.166 0.000 2.394 91 I HA -0.221 3.949 4.170 0.000 0.000 0.251 91 I C 2.702 178.622 176.117 -0.328 0.000 1.136 91 I CA 1.246 62.328 61.300 -0.364 0.000 1.425 91 I CB -0.587 36.929 38.000 -0.807 0.000 1.079 91 I HN 0.135 nan 8.210 nan 0.000 0.425 92 A N 0.438 123.153 122.820 -0.174 0.000 1.972 92 A HA -0.196 4.124 4.320 0.000 0.000 0.219 92 A C 2.445 180.005 177.584 -0.040 0.000 1.169 92 A CA 1.551 53.563 52.037 -0.042 0.000 0.635 92 A CB -0.511 18.522 19.000 0.055 0.000 0.810 92 A HN 0.339 nan 8.150 nan 0.000 0.446 93 R N -1.325 119.144 120.500 -0.051 0.000 2.119 93 R HA 0.067 4.407 4.340 0.000 0.000 0.222 93 R C 1.572 177.847 176.300 -0.042 0.000 1.088 93 R CA 0.774 56.850 56.100 -0.039 0.000 0.984 93 R CB -0.295 29.978 30.300 -0.045 0.000 0.884 93 R HN 0.395 nan 8.270 nan 0.000 0.447 94 L N 0.201 121.380 121.223 -0.073 0.000 2.362 94 L HA -0.084 4.256 4.340 0.000 0.000 0.219 94 L C 1.829 178.666 176.870 -0.054 0.000 1.134 94 L CA 1.482 56.280 54.840 -0.070 0.000 0.807 94 L CB -0.051 41.946 42.059 -0.104 0.000 0.927 94 L HN 0.153 nan 8.230 nan 0.000 0.447 95 I N -1.694 118.842 120.570 -0.057 0.000 2.810 95 I HA -0.079 4.091 4.170 0.000 0.000 0.262 95 I C 2.014 178.150 176.117 0.031 0.000 1.131 95 I CA 0.466 61.754 61.300 -0.020 0.000 1.453 95 I CB -0.076 37.905 38.000 -0.032 0.000 1.161 95 I HN 0.109 nan 8.210 nan 0.000 0.444 96 D N 1.249 121.668 120.400 0.031 0.000 2.149 96 D HA -0.184 4.456 4.640 0.000 0.000 0.201 96 D C 2.237 178.588 176.300 0.085 0.000 0.972 96 D CA 1.309 55.349 54.000 0.066 0.000 0.835 96 D CB 0.115 40.940 40.800 0.040 0.000 0.966 96 D HN 0.054 nan 8.370 nan 0.000 0.476 97 R N -0.065 120.465 120.500 0.050 0.000 2.075 97 R HA -0.026 4.314 4.340 0.000 0.000 0.232 97 R C -0.718 175.615 176.300 0.056 0.000 1.126 97 R CA 1.416 57.545 56.100 0.048 0.000 0.963 97 R CB -0.668 29.644 30.300 0.020 0.000 0.858 97 R HN 0.282 nan 8.270 nan 0.000 0.435 98 P HA -0.093 nan 4.420 nan 0.000 0.225 98 P C 1.250 178.590 177.300 0.066 0.000 1.156 98 P CA 1.166 64.292 63.100 0.043 0.000 0.787 98 P CB -0.123 31.598 31.700 0.036 0.000 0.802 99 I N -3.187 117.467 120.570 0.140 0.000 3.030 99 I HA 0.145 4.315 4.170 0.000 0.000 0.270 99 I C 2.658 178.951 176.117 0.292 0.000 1.211 99 I CA 0.332 61.782 61.300 0.251 0.000 1.479 99 I CB -0.515 37.711 38.000 0.377 0.000 1.105 99 I HN -0.266 nan 8.210 nan 0.000 0.447 100 R N 2.097 122.767 120.500 0.283 0.000 2.073 100 R HA -0.027 4.313 4.340 0.000 0.000 0.234 100 R C -0.577 175.859 176.300 0.226 0.000 1.134 100 R CA 1.768 58.087 56.100 0.364 0.000 0.952 100 R CB -1.122 29.333 30.300 0.259 0.000 0.850 100 R HN 0.330 nan 8.270 nan 0.000 0.433 101 P HA -0.013 nan 4.420 nan 0.000 0.242 101 P C 0.597 177.810 177.300 -0.145 0.000 1.197 101 P CA 0.819 63.908 63.100 -0.018 0.000 0.765 101 P CB 0.113 31.797 31.700 -0.027 0.000 0.936 102 L N -2.526 118.524 121.223 -0.289 0.000 2.341 102 L HA 0.083 4.423 4.340 0.000 0.000 0.214 102 L C 0.842 177.269 176.870 -0.739 0.000 1.115 102 L CA 0.107 54.565 54.840 -0.636 0.000 0.820 102 L CB -0.481 40.894 42.059 -1.141 0.000 0.944 102 L HN -0.120 nan 8.230 nan 0.000 0.452 103 F N 1.888 121.523 119.950 -0.525 0.000 2.538 103 F HA 0.124 4.652 4.527 0.000 0.000 0.371 103 F C -1.381 174.133 175.800 -0.476 0.000 1.087 103 F CA -2.220 55.428 58.000 -0.588 0.000 1.250 103 F CB -0.325 38.213 39.000 -0.769 0.000 1.110 103 F HN -0.119 nan 8.300 nan 0.000 0.570 104 P HA -0.072 nan 4.420 nan 0.000 0.269 104 P C -0.602 176.661 177.300 -0.062 0.000 1.209 104 P CA -0.289 62.717 63.100 -0.156 0.000 0.776 104 P CB 0.528 32.150 31.700 -0.130 0.000 0.876 105 E N 1.072 121.285 120.200 0.021 0.000 2.161 105 E HA 0.263 4.613 4.350 0.000 0.000 0.263 105 E C 0.808 177.516 176.600 0.180 0.000 1.185 105 E CA 0.376 56.820 56.400 0.073 0.000 0.938 105 E CB -0.980 28.763 29.700 0.071 0.000 1.023 105 E HN 0.774 nan 8.360 nan 0.000 0.433 106 G N 4.287 113.206 108.800 0.198 0.000 2.318 106 G HA2 -0.232 3.728 3.960 0.000 0.000 0.172 106 G HA3 -0.232 3.728 3.960 0.000 0.000 0.172 106 G C -0.286 174.876 174.900 0.438 0.000 1.002 106 G CA -0.447 44.856 45.100 0.338 0.000 0.697 106 G HN 0.530 nan 8.290 nan 0.000 0.483 107 F N 2.487 122.413 119.950 -0.039 0.000 2.471 107 F HA 0.524 5.051 4.527 0.000 0.000 0.365 107 F C 1.179 176.948 175.800 -0.052 0.000 1.095 107 F CA 0.192 58.024 58.000 -0.281 0.000 1.174 107 F CB 1.465 40.042 39.000 -0.704 0.000 1.105 107 F HN -0.083 nan 8.300 nan 0.000 0.535 108 V N 3.680 123.403 119.914 -0.318 0.000 3.604 108 V HA 0.084 4.204 4.120 0.000 0.000 0.277 108 V C 0.428 176.328 176.094 -0.324 0.000 1.399 108 V CA -0.303 61.897 62.300 -0.167 0.000 1.034 108 V CB -0.771 31.012 31.823 -0.067 0.000 0.824 108 V HN 0.584 nan 8.190 nan 0.000 0.439 109 N N 2.481 120.749 118.700 -0.720 0.000 2.492 109 N HA 0.064 4.804 4.740 0.000 0.000 0.262 109 N C 0.110 175.474 175.510 -0.243 0.000 1.202 109 N CA 0.352 53.113 53.050 -0.481 0.000 0.926 109 N CB 0.643 38.830 38.487 -0.502 0.000 1.078 109 N HN 0.549 nan 8.380 nan 0.000 0.454 110 E N 1.379 121.492 120.200 -0.145 0.000 2.290 110 E HA 0.245 4.595 4.350 0.000 0.000 0.277 110 E C -0.793 175.779 176.600 -0.046 0.000 1.035 110 E CA -0.600 55.710 56.400 -0.150 0.000 0.873 110 E CB 0.504 30.120 29.700 -0.140 0.000 1.029 110 E HN 0.352 nan 8.360 nan 0.000 0.419 111 V N 1.603 121.459 119.914 -0.097 0.000 2.789 111 V HA 0.502 4.623 4.120 0.000 0.000 0.311 111 V C -0.800 175.247 176.094 -0.078 0.000 1.073 111 V CA -1.023 61.258 62.300 -0.032 0.000 0.921 111 V CB 1.624 33.471 31.823 0.040 0.000 1.009 111 V HN 0.761 nan 8.190 nan 0.000 0.426 112 Q N 2.190 121.970 119.800 -0.033 0.000 2.321 112 Q HA 0.713 5.053 4.340 0.000 0.000 0.270 112 Q C -1.894 174.094 176.000 -0.020 0.000 1.032 112 Q CA -0.670 55.113 55.803 -0.034 0.000 0.784 112 Q CB 2.530 31.253 28.738 -0.026 0.000 1.264 112 Q HN 0.823 nan 8.270 nan 0.000 0.448 113 V N 6.245 126.150 119.914 -0.014 0.000 2.293 113 V HA 0.397 4.517 4.120 0.000 0.000 0.275 113 V C -0.267 175.821 176.094 -0.010 0.000 1.021 113 V CA -0.441 61.849 62.300 -0.017 0.000 0.815 113 V CB 0.862 32.684 31.823 -0.000 0.000 1.025 113 V HN 0.693 nan 8.190 nan 0.000 0.448 114 I N 4.402 124.954 120.570 -0.030 0.000 2.312 114 I HA 0.701 4.871 4.170 0.000 0.000 0.290 114 I C 0.456 176.552 176.117 -0.036 0.000 1.008 114 I CA -0.197 61.092 61.300 -0.018 0.000 1.226 114 I CB 1.475 39.465 38.000 -0.016 0.000 1.371 114 I HN 0.625 nan 8.210 nan 0.000 0.468 115 A N 4.364 127.193 122.820 0.015 0.000 2.318 115 A HA 0.761 5.081 4.320 0.000 0.000 0.317 115 A C -0.347 177.216 177.584 -0.035 0.000 1.159 115 A CA -0.511 51.544 52.037 0.030 0.000 0.799 115 A CB 1.563 20.662 19.000 0.164 0.000 1.194 115 A HN 0.573 nan 8.150 nan 0.000 0.479 116 T N 1.731 116.274 114.554 -0.018 0.000 2.881 116 T HA 0.509 4.859 4.350 0.000 0.000 0.290 116 T C -0.860 173.819 174.700 -0.036 0.000 1.000 116 T CA -0.318 61.737 62.100 -0.075 0.000 0.978 116 T CB 0.788 69.668 68.868 0.020 0.000 0.997 116 T HN 0.619 nan 8.240 nan 0.000 0.443 117 V N 6.105 125.926 119.914 -0.155 0.000 2.488 117 V HA 0.287 4.407 4.120 0.000 0.000 0.277 117 V C 1.173 177.214 176.094 -0.088 0.000 1.046 117 V CA -0.099 62.149 62.300 -0.087 0.000 0.986 117 V CB 1.174 32.925 31.823 -0.120 0.000 0.989 117 V HN 0.815 nan 8.190 nan 0.000 0.475 118 V N 3.857 123.782 119.914 0.017 0.000 3.455 118 V HA 0.242 4.362 4.120 0.000 0.000 0.250 118 V C 0.728 176.888 176.094 0.110 0.000 1.230 118 V CA 1.221 63.585 62.300 0.107 0.000 1.105 118 V CB 1.151 33.068 31.823 0.157 0.000 0.850 118 V HN 0.980 nan 8.190 nan 0.000 0.461 119 S N -1.088 114.644 115.700 0.054 0.000 2.541 119 S HA 0.735 5.205 4.470 0.000 0.000 0.271 119 S C -1.344 173.270 174.600 0.022 0.000 1.133 119 S CA -0.506 57.723 58.200 0.047 0.000 0.876 119 S CB 1.982 65.214 63.200 0.052 0.000 1.105 119 S HN 0.187 nan 8.310 nan 0.000 0.470 120 V N 1.598 121.521 119.914 0.016 0.000 2.888 120 V HA 0.695 4.815 4.120 0.000 0.000 0.309 120 V C -1.544 174.557 176.094 0.011 0.000 1.114 120 V CA -0.682 61.624 62.300 0.010 0.000 0.940 120 V CB 2.275 34.100 31.823 0.003 0.000 1.021 120 V HN 1.078 nan 8.190 nan 0.000 0.426 121 N N 5.393 124.098 118.700 0.007 0.000 2.408 121 N HA 0.592 5.333 4.740 0.000 0.000 0.280 121 N C -2.097 173.418 175.510 0.009 0.000 1.002 121 N CA -1.864 51.191 53.050 0.009 0.000 0.907 121 N CB 2.552 41.042 38.487 0.005 0.000 1.161 121 N HN 0.321 nan 8.380 nan 0.000 0.488 122 P HA -0.123 nan 4.420 nan 0.000 0.226 122 P C 0.372 177.683 177.300 0.018 0.000 1.146 122 P CA 1.121 64.231 63.100 0.016 0.000 0.773 122 P CB 0.347 32.058 31.700 0.018 0.000 0.772 123 Q N -1.615 118.197 119.800 0.019 0.000 2.394 123 Q HA 0.126 4.466 4.340 0.000 0.000 0.218 123 Q C 0.464 176.469 176.000 0.009 0.000 0.907 123 Q CA 0.538 56.357 55.803 0.027 0.000 0.919 123 Q CB 0.326 29.092 28.738 0.047 0.000 1.051 123 Q HN 0.146 nan 8.270 nan 0.000 0.538 124 V N 2.908 122.809 119.914 -0.022 0.000 2.407 124 V HA 0.239 4.359 4.120 0.000 0.000 0.278 124 V C 0.147 176.218 176.094 -0.039 0.000 1.037 124 V CA -0.867 61.386 62.300 -0.079 0.000 0.900 124 V CB 1.463 33.190 31.823 -0.160 0.000 0.983 124 V HN 0.146 nan 8.190 nan 0.000 0.459 125 N N 6.970 125.653 118.700 -0.030 0.000 2.422 125 N HA 0.272 5.012 4.740 0.000 0.000 0.264 125 N C -1.642 173.871 175.510 0.005 0.000 1.063 125 N CA -1.679 51.371 53.050 -0.000 0.000 0.959 125 N CB 2.188 40.679 38.487 0.008 0.000 1.087 125 N HN 0.367 nan 8.380 nan 0.000 0.483 126 P HA -0.016 nan 4.420 nan 0.000 0.242 126 P C 0.384 177.721 177.300 0.061 0.000 1.197 126 P CA 0.365 63.504 63.100 0.065 0.000 0.765 126 P CB 0.296 32.065 31.700 0.114 0.000 0.936 127 D N 1.437 121.841 120.400 0.006 0.000 2.117 127 D HA -0.177 4.463 4.640 0.000 0.000 0.198 127 D C 1.640 177.903 176.300 -0.062 0.000 0.982 127 D CA 1.137 55.089 54.000 -0.079 0.000 0.828 127 D CB -1.232 39.519 40.800 -0.082 0.000 0.967 127 D HN 0.283 nan 8.370 nan 0.000 0.464 128 I N -1.359 119.203 120.570 -0.014 0.000 3.030 128 I HA 0.022 4.192 4.170 0.000 0.000 0.270 128 I C 2.122 178.246 176.117 0.012 0.000 1.211 128 I CA 0.078 61.382 61.300 0.006 0.000 1.479 128 I CB -0.509 37.517 38.000 0.044 0.000 1.105 128 I HN -0.148 nan 8.210 nan 0.000 0.447 129 V N 1.694 121.618 119.914 0.017 0.000 2.453 129 V HA -0.119 4.001 4.120 0.000 0.000 0.247 129 V C 2.921 179.033 176.094 0.030 0.000 1.048 129 V CA 1.772 64.086 62.300 0.022 0.000 1.049 129 V CB -1.244 30.595 31.823 0.026 0.000 0.672 129 V HN 0.578 nan 8.190 nan 0.000 0.457 130 A N -0.616 122.231 122.820 0.044 0.000 1.968 130 A HA -0.109 4.211 4.320 0.000 0.000 0.217 130 A C 2.215 179.802 177.584 0.006 0.000 1.169 130 A CA 1.637 53.711 52.037 0.061 0.000 0.638 130 A CB -0.423 18.657 19.000 0.132 0.000 0.812 130 A HN 0.487 nan 8.150 nan 0.000 0.446 131 M N -0.797 118.792 119.600 -0.018 0.000 2.200 131 M HA -0.003 4.477 4.480 0.000 0.000 0.265 131 M C 1.876 178.163 176.300 -0.023 0.000 1.066 131 M CA 1.271 56.556 55.300 -0.024 0.000 1.127 131 M CB -0.356 32.229 32.600 -0.025 0.000 1.379 131 M HN 0.379 nan 8.290 nan 0.000 0.420 132 I N -0.416 120.142 120.570 -0.019 0.000 2.353 132 I HA -0.134 4.036 4.170 0.000 0.000 0.248 132 I C 2.561 178.659 176.117 -0.032 0.000 1.119 132 I CA 1.191 62.476 61.300 -0.025 0.000 1.417 132 I CB -0.814 37.178 38.000 -0.012 0.000 1.078 132 I HN 0.336 nan 8.210 nan 0.000 0.421 133 G N 0.568 109.355 108.800 -0.023 0.000 2.418 133 G HA2 -0.226 3.734 3.960 0.000 0.000 0.217 133 G HA3 -0.226 3.734 3.960 0.000 0.000 0.217 133 G C 1.835 176.688 174.900 -0.079 0.000 1.158 133 G CA 0.823 45.899 45.100 -0.039 0.000 0.771 133 G HN 0.481 nan 8.290 nan 0.000 0.545 134 A N 0.287 123.064 122.820 -0.072 0.000 1.968 134 A HA 0.110 4.430 4.320 0.000 0.000 0.217 134 A C 2.580 180.059 177.584 -0.174 0.000 1.169 134 A CA 2.034 54.009 52.037 -0.105 0.000 0.638 134 A CB -0.579 18.388 19.000 -0.055 0.000 0.812 134 A HN 0.390 nan 8.150 nan 0.000 0.446 135 S N -0.453 115.168 115.700 -0.132 0.000 2.383 135 S HA 0.029 4.499 4.470 0.000 0.000 0.227 135 S C 2.114 176.595 174.600 -0.199 0.000 1.026 135 S CA 1.417 59.524 58.200 -0.154 0.000 0.981 135 S CB -0.350 62.812 63.200 -0.063 0.000 0.818 135 S HN 0.733 nan 8.310 nan 0.000 0.472 136 A N 1.032 123.765 122.820 -0.145 0.000 1.897 136 A HA 0.378 4.699 4.320 0.000 0.000 0.215 136 A C 2.398 179.883 177.584 -0.165 0.000 1.181 136 A CA 1.489 53.449 52.037 -0.128 0.000 0.620 136 A CB -1.199 17.759 19.000 -0.070 0.000 0.821 136 A HN 0.669 nan 8.150 nan 0.000 0.443 137 A N -0.244 122.467 122.820 -0.183 0.000 1.898 137 A HA 0.028 4.348 4.320 0.000 0.000 0.216 137 A C 2.084 179.510 177.584 -0.263 0.000 1.181 137 A CA 1.362 53.285 52.037 -0.189 0.000 0.620 137 A CB -0.583 18.310 19.000 -0.177 0.000 0.819 137 A HN 0.435 nan 8.150 nan 0.000 0.442 138 L N -0.686 120.290 121.223 -0.412 0.000 2.275 138 L HA -0.089 4.251 4.340 0.000 0.000 0.215 138 L C 2.732 179.217 176.870 -0.642 0.000 1.119 138 L CA 1.236 55.689 54.840 -0.646 0.000 0.790 138 L CB -0.124 41.233 42.059 -1.171 0.000 0.919 138 L HN 0.465 nan 8.230 nan 0.000 0.443 139 S N -0.499 114.925 115.700 -0.461 0.000 2.439 139 S HA 0.068 4.539 4.470 0.000 0.000 0.224 139 S C 1.784 176.286 174.600 -0.163 0.000 1.029 139 S CA 0.370 58.415 58.200 -0.259 0.000 0.946 139 S CB 0.099 63.199 63.200 -0.168 0.000 0.797 139 S HN 0.317 nan 8.310 nan 0.000 0.504 140 L N 1.744 122.877 121.223 -0.150 0.000 2.492 140 L HA 0.077 4.417 4.340 0.000 0.000 0.223 140 L C 2.500 179.332 176.870 -0.063 0.000 1.132 140 L CA 0.829 55.618 54.840 -0.084 0.000 0.850 140 L CB -0.274 41.746 42.059 -0.066 0.000 0.966 140 L HN 0.411 nan 8.230 nan 0.000 0.454 141 S N -0.637 114.995 115.700 -0.113 0.000 2.383 141 S HA -0.014 4.456 4.470 0.000 0.000 0.227 141 S C 1.769 176.354 174.600 -0.024 0.000 1.026 141 S CA 0.914 59.067 58.200 -0.077 0.000 0.981 141 S CB -0.035 63.064 63.200 -0.168 0.000 0.818 141 S HN 0.490 nan 8.310 nan 0.000 0.472 142 G N 1.033 109.773 108.800 -0.100 0.000 2.232 142 G HA2 -0.205 3.755 3.960 0.000 0.000 0.226 142 G HA3 -0.205 3.755 3.960 0.000 0.000 0.226 142 G C 0.080 174.791 174.900 -0.316 0.000 0.996 142 G CA -0.109 44.984 45.100 -0.012 0.000 0.626 142 G HN 0.580 nan 8.290 nan 0.000 0.509 143 I N 3.843 123.953 120.570 -0.767 0.000 2.668 143 I HA 0.182 4.352 4.170 0.000 0.000 0.285 143 I C -1.397 174.401 176.117 -0.531 0.000 1.168 143 I CA -1.411 59.279 61.300 -1.017 0.000 1.424 143 I CB 0.412 37.860 38.000 -0.920 0.000 1.377 143 I HN -0.050 nan 8.210 nan 0.000 0.560 144 P HA -0.098 nan 4.420 nan 0.000 0.251 144 P C -0.831 176.205 177.300 -0.441 0.000 1.154 144 P CA 0.767 63.634 63.100 -0.388 0.000 0.805 144 P CB -0.183 31.225 31.700 -0.486 0.000 0.759 145 F N 3.952 123.599 119.950 -0.504 0.000 2.585 145 F HA 0.293 4.820 4.527 0.000 0.000 0.319 145 F C 0.548 176.114 175.800 -0.390 0.000 1.165 145 F CA -0.745 56.897 58.000 -0.597 0.000 0.949 145 F CB 1.508 40.150 39.000 -0.596 0.000 1.218 145 F HN 0.034 nan 8.300 nan 0.000 0.453 146 N N 3.562 121.841 118.700 -0.703 0.000 2.362 146 N HA 0.125 4.865 4.740 0.000 0.000 0.211 146 N C 0.711 175.987 175.510 -0.390 0.000 1.170 146 N CA 0.244 53.032 53.050 -0.436 0.000 0.828 146 N CB 0.547 38.807 38.487 -0.379 0.000 1.034 146 N HN 0.803 nan 8.380 nan 0.000 0.475 147 G N 1.391 109.978 108.800 -0.354 0.000 2.783 147 G HA2 0.283 4.243 3.960 0.000 0.000 0.182 147 G HA3 0.283 4.243 3.960 0.000 0.000 0.182 147 G C -2.129 172.767 174.900 -0.007 0.000 1.516 147 G CA -0.269 44.777 45.100 -0.090 0.000 1.079 147 G HN 0.096 nan 8.290 nan 0.000 0.573 148 P HA 0.465 nan 4.420 nan 0.000 0.284 148 P C -0.550 176.766 177.300 0.027 0.000 1.292 148 P CA -0.515 62.634 63.100 0.082 0.000 0.800 148 P CB 1.292 32.990 31.700 -0.003 0.000 1.188 149 I N -3.668 116.926 120.570 0.039 0.000 2.797 149 I HA 0.848 5.018 4.170 0.000 0.000 0.307 149 I C 0.083 176.182 176.117 -0.029 0.000 1.033 149 I CA -1.072 60.233 61.300 0.008 0.000 1.071 149 I CB 1.981 40.002 38.000 0.035 0.000 1.255 149 I HN 0.310 nan 8.210 nan 0.000 0.445 150 G N 1.945 110.722 108.800 -0.037 0.000 2.471 150 G HA2 0.766 4.727 3.960 0.000 0.000 0.332 150 G HA3 0.766 4.727 3.960 0.000 0.000 0.332 150 G C -1.389 173.496 174.900 -0.024 0.000 1.176 150 G CA -0.863 44.197 45.100 -0.066 0.000 0.949 150 G HN 1.008 nan 8.290 nan 0.000 0.488 151 A N -0.487 122.316 122.820 -0.028 0.000 2.335 151 A HA 0.881 5.201 4.320 0.000 0.000 0.304 151 A C -0.216 177.434 177.584 0.110 0.000 1.118 151 A CA -0.119 51.935 52.037 0.029 0.000 0.757 151 A CB 1.381 20.390 19.000 0.016 0.000 1.188 151 A HN 2.007 nan 8.150 nan 0.000 0.460 152 A N 2.442 125.337 122.820 0.126 0.000 2.455 152 A HA 0.801 5.121 4.320 0.000 0.000 0.300 152 A C -0.487 177.174 177.584 0.127 0.000 1.040 152 A CA -0.585 51.559 52.037 0.177 0.000 0.697 152 A CB 1.226 20.326 19.000 0.167 0.000 1.265 152 A HN 0.874 nan 8.150 nan 0.000 0.407 153 R N 1.711 122.290 120.500 0.131 0.000 2.387 153 R HA 0.654 4.994 4.340 0.000 0.000 0.314 153 R C -1.511 174.875 176.300 0.144 0.000 0.958 153 R CA -0.328 55.839 56.100 0.112 0.000 0.846 153 R CB 1.517 31.871 30.300 0.090 0.000 1.147 153 R HN 0.518 nan 8.270 nan 0.000 0.447 154 V N 3.528 123.535 119.914 0.156 0.000 2.459 154 V HA 0.611 4.731 4.120 0.000 0.000 0.295 154 V C 0.645 176.855 176.094 0.192 0.000 1.029 154 V CA -0.606 61.826 62.300 0.219 0.000 0.874 154 V CB 1.611 33.585 31.823 0.252 0.000 0.985 154 V HN 0.972 nan 8.190 nan 0.000 0.438 155 G N 2.020 110.942 108.800 0.204 0.000 2.820 155 G HA2 0.600 4.560 3.960 0.000 0.000 0.291 155 G HA3 0.600 4.560 3.960 0.000 0.000 0.291 155 G C -1.902 173.141 174.900 0.238 0.000 1.323 155 G CA -0.489 44.715 45.100 0.174 0.000 1.055 155 G HN 0.558 nan 8.290 nan 0.000 0.520 156 Y N 0.153 120.450 120.300 -0.005 0.000 2.422 156 Y HA 0.504 5.054 4.550 0.000 0.000 0.344 156 Y C -0.770 175.072 175.900 -0.096 0.000 1.097 156 Y CA -0.749 57.298 58.100 -0.088 0.000 1.307 156 Y CB 0.699 39.108 38.460 -0.084 0.000 1.102 156 Y HN 0.333 nan 8.280 nan 0.000 0.520 157 I N 4.693 125.088 120.570 -0.291 0.000 2.433 157 I HA 0.298 4.468 4.170 0.000 0.000 0.292 157 I C -0.271 175.640 176.117 -0.342 0.000 1.001 157 I CA -0.943 60.219 61.300 -0.229 0.000 1.119 157 I CB 1.497 39.424 38.000 -0.122 0.000 1.289 157 I HN 0.549 nan 8.210 nan 0.000 0.438 158 N N 4.492 123.031 118.700 -0.268 0.000 2.740 158 N HA -0.204 4.536 4.740 0.000 0.000 0.248 158 N C -0.592 174.701 175.510 -0.361 0.000 1.062 158 N CA 0.997 53.900 53.050 -0.244 0.000 0.704 158 N CB -1.105 37.278 38.487 -0.175 0.000 0.968 158 N HN 0.762 nan 8.380 nan 0.000 0.547 159 D N -1.378 118.688 120.400 -0.556 0.000 2.723 159 D HA -0.213 4.427 4.640 0.000 0.000 0.236 159 D C 0.027 175.808 176.300 -0.865 0.000 1.138 159 D CA 1.479 55.052 54.000 -0.713 0.000 0.676 159 D CB -0.732 39.919 40.800 -0.249 0.000 1.069 159 D HN 0.702 nan 8.370 nan 0.000 0.430 160 Q N -0.978 118.153 119.800 -1.115 0.000 2.391 160 Q HA 0.440 4.780 4.340 0.000 0.000 0.279 160 Q C -1.394 174.131 176.000 -0.792 0.000 1.028 160 Q CA -0.686 54.630 55.803 -0.813 0.000 0.836 160 Q CB 1.251 29.735 28.738 -0.423 0.000 1.414 160 Q HN 0.122 nan 8.270 nan 0.000 0.397 161 Y N 0.726 120.766 120.300 -0.433 0.000 2.319 161 Y HA 0.538 5.088 4.550 0.000 0.000 0.328 161 Y C -0.084 175.612 175.900 -0.341 0.000 1.133 161 Y CA -0.542 57.296 58.100 -0.436 0.000 1.265 161 Y CB 0.989 38.895 38.460 -0.923 0.000 1.218 161 Y HN 0.255 nan 8.280 nan 0.000 0.508 162 V N 4.943 124.886 119.914 0.050 0.000 2.531 162 V HA 0.234 4.354 4.120 0.000 0.000 0.301 162 V C -0.621 175.614 176.094 0.236 0.000 1.034 162 V CA -0.957 61.412 62.300 0.114 0.000 0.865 162 V CB 1.776 33.627 31.823 0.046 0.000 0.995 162 V HN 0.559 nan 8.190 nan 0.000 0.424 163 L N 5.721 127.108 121.223 0.274 0.000 2.319 163 L HA 0.483 4.823 4.340 0.000 0.000 0.280 163 L C 0.521 177.453 176.870 0.104 0.000 1.099 163 L CA 0.543 55.501 54.840 0.196 0.000 0.828 163 L CB 0.065 42.165 42.059 0.068 0.000 1.150 163 L HN 0.779 nan 8.230 nan 0.000 0.442 164 N N 3.423 122.189 118.700 0.111 0.000 2.586 164 N HA -0.157 4.583 4.740 0.000 0.000 0.282 164 N C -2.446 173.138 175.510 0.122 0.000 1.171 164 N CA 0.346 53.463 53.050 0.112 0.000 0.733 164 N CB -1.124 37.435 38.487 0.120 0.000 0.910 164 N HN 0.445 nan 8.380 nan 0.000 0.548 165 P HA 0.146 nan 4.420 nan 0.000 0.275 165 P C 0.675 178.025 177.300 0.083 0.000 1.227 165 P CA -0.258 62.895 63.100 0.087 0.000 0.781 165 P CB 0.635 32.378 31.700 0.072 0.000 0.906 166 T N -0.700 113.905 114.554 0.084 0.000 2.729 166 T HA 0.062 4.413 4.350 0.000 0.000 0.298 166 T C 1.210 175.938 174.700 0.048 0.000 1.013 166 T CA -0.077 62.066 62.100 0.073 0.000 0.957 166 T CB 0.188 69.106 68.868 0.082 0.000 1.130 166 T HN 0.191 nan 8.240 nan 0.000 0.526 167 Q N -0.150 119.673 119.800 0.039 0.000 2.364 167 Q HA -0.018 4.322 4.340 0.000 0.000 0.207 167 Q C 1.036 177.053 176.000 0.027 0.000 0.970 167 Q CA 1.401 57.222 55.803 0.031 0.000 0.888 167 Q CB -0.300 28.454 28.738 0.026 0.000 0.951 167 Q HN 0.676 nan 8.270 nan 0.000 0.469 168 D N -1.188 119.229 120.400 0.028 0.000 2.379 168 D HA 0.029 4.669 4.640 0.000 0.000 0.208 168 D C 0.691 177.003 176.300 0.020 0.000 1.065 168 D CA 0.237 54.249 54.000 0.022 0.000 0.848 168 D CB 0.385 41.197 40.800 0.019 0.000 0.949 168 D HN 0.379 nan 8.370 nan 0.000 0.509 169 E N -0.035 120.181 120.200 0.026 0.000 2.307 169 E HA 0.007 4.357 4.350 0.000 0.000 0.195 169 E C 1.744 178.359 176.600 0.025 0.000 0.975 169 E CA 0.159 56.572 56.400 0.023 0.000 0.878 169 E CB 0.278 29.996 29.700 0.030 0.000 0.845 169 E HN 0.171 nan 8.360 nan 0.000 0.488 170 L N -0.618 120.624 121.223 0.032 0.000 2.395 170 L HA 0.125 4.465 4.340 0.000 0.000 0.218 170 L C 1.659 178.546 176.870 0.027 0.000 1.130 170 L CA 1.212 56.073 54.840 0.035 0.000 0.826 170 L CB -0.163 41.919 42.059 0.039 0.000 0.941 170 L HN -0.193 nan 8.230 nan 0.000 0.451 171 K N 0.121 120.534 120.400 0.021 0.000 2.217 171 K HA -0.027 4.293 4.320 0.000 0.000 0.202 171 K C 1.749 178.356 176.600 0.013 0.000 1.051 171 K CA 1.028 57.325 56.287 0.016 0.000 0.952 171 K CB -0.018 32.490 32.500 0.014 0.000 0.736 171 K HN 0.360 nan 8.250 nan 0.000 0.453 172 E N 0.665 120.872 120.200 0.011 0.000 2.385 172 E HA 0.003 4.353 4.350 0.000 0.000 0.194 172 E C 0.565 177.172 176.600 0.011 0.000 1.013 172 E CA 0.155 56.558 56.400 0.004 0.000 0.866 172 E CB 0.331 30.027 29.700 -0.006 0.000 0.832 172 E HN 0.013 nan 8.360 nan 0.000 0.500 173 S N 0.477 116.192 115.700 0.024 0.000 2.580 173 S HA 0.049 4.519 4.470 0.000 0.000 0.274 173 S C 0.974 175.610 174.600 0.061 0.000 1.329 173 S CA -0.219 58.011 58.200 0.049 0.000 1.036 173 S CB 1.080 64.317 63.200 0.062 0.000 0.919 173 S HN -0.134 nan 8.310 nan 0.000 0.515 174 K N 2.603 123.065 120.400 0.103 0.000 2.353 174 K HA 0.360 4.681 4.320 0.000 0.000 0.195 174 K C 0.156 176.777 176.600 0.035 0.000 1.031 174 K CA -0.089 56.239 56.287 0.069 0.000 1.079 174 K CB -0.234 32.321 32.500 0.092 0.000 0.857 174 K HN 0.630 nan 8.250 nan 0.000 0.535 175 L N 0.507 121.772 121.223 0.070 0.000 2.431 175 L HA 0.602 4.942 4.340 0.000 0.000 0.266 175 L C -2.231 174.678 176.870 0.065 0.000 0.978 175 L CA -0.540 54.322 54.840 0.037 0.000 0.822 175 L CB 2.394 44.454 42.059 0.003 0.000 1.310 175 L HN -0.076 nan 8.230 nan 0.000 0.409 176 D N 4.666 125.089 120.400 0.038 0.000 2.479 176 D HA 0.530 5.170 4.640 0.000 0.000 0.246 176 D C -1.700 174.618 176.300 0.029 0.000 1.336 176 D CA -0.150 53.877 54.000 0.044 0.000 0.967 176 D CB 1.530 42.348 40.800 0.031 0.000 1.275 176 D HN 0.526 nan 8.370 nan 0.000 0.577 177 L N 1.057 122.308 121.223 0.048 0.000 2.409 177 L HA 0.815 5.155 4.340 0.000 0.000 0.262 177 L C -1.432 175.466 176.870 0.046 0.000 0.992 177 L CA -1.060 53.800 54.840 0.033 0.000 0.817 177 L CB 1.999 44.075 42.059 0.028 0.000 1.350 177 L HN -0.003 nan 8.230 nan 0.000 0.411 178 V N 2.773 122.704 119.914 0.028 0.000 2.357 178 V HA 0.638 4.758 4.120 0.000 0.000 0.284 178 V C -0.262 175.851 176.094 0.032 0.000 1.018 178 V CA -0.590 61.730 62.300 0.033 0.000 0.841 178 V CB 1.580 33.411 31.823 0.014 0.000 0.991 178 V HN 0.712 nan 8.190 nan 0.000 0.437 179 V N 5.062 125.007 119.914 0.051 0.000 2.513 179 V HA 0.960 5.080 4.120 0.000 0.000 0.299 179 V C 0.042 176.169 176.094 0.056 0.000 1.035 179 V CA -0.046 62.286 62.300 0.053 0.000 0.889 179 V CB 1.642 33.509 31.823 0.072 0.000 0.988 179 V HN 1.093 nan 8.190 nan 0.000 0.440 180 A N 4.358 127.207 122.820 0.049 0.000 2.449 180 A HA 1.039 5.359 4.320 0.000 0.000 0.302 180 A C -0.189 177.429 177.584 0.057 0.000 1.048 180 A CA 0.004 52.069 52.037 0.047 0.000 0.708 180 A CB 1.954 20.970 19.000 0.027 0.000 1.274 180 A HN 1.961 nan 8.150 nan 0.000 0.410 181 G N -0.470 108.373 108.800 0.071 0.000 2.411 181 G HA2 0.552 4.512 3.960 0.000 0.000 0.295 181 G HA3 0.552 4.512 3.960 0.000 0.000 0.295 181 G C -0.468 174.474 174.900 0.071 0.000 1.542 181 G CA 0.291 45.438 45.100 0.077 0.000 0.814 181 G HN 1.035 nan 8.290 nan 0.000 0.557 182 T N -1.136 113.439 114.554 0.036 0.000 2.732 182 T HA 0.221 4.571 4.350 0.000 0.000 0.287 182 T C 1.536 176.260 174.700 0.040 0.000 0.993 182 T CA 0.715 62.818 62.100 0.004 0.000 0.966 182 T CB 1.007 69.845 68.868 -0.051 0.000 1.047 182 T HN 0.631 nan 8.240 nan 0.000 0.527 183 E N -0.157 120.034 120.200 -0.014 0.000 2.118 183 E HA -0.132 4.218 4.350 0.000 0.000 0.195 183 E C 2.000 178.617 176.600 0.028 0.000 0.992 183 E CA 1.238 57.620 56.400 -0.029 0.000 0.804 183 E CB -0.324 29.344 29.700 -0.054 0.000 0.741 183 E HN 0.659 nan 8.360 nan 0.000 0.458 184 A N 0.472 123.307 122.820 0.025 0.000 1.903 184 A HA 0.378 4.698 4.320 0.000 0.000 0.213 184 A C 1.013 178.624 177.584 0.045 0.000 1.185 184 A CA 1.010 53.060 52.037 0.022 0.000 0.628 184 A CB 0.098 19.086 19.000 -0.019 0.000 0.830 184 A HN 0.315 nan 8.150 nan 0.000 0.446 185 A N -1.713 121.130 122.820 0.039 0.000 2.594 185 A HA 0.590 4.910 4.320 0.000 0.000 0.291 185 A C -0.613 176.920 177.584 -0.085 0.000 1.105 185 A CA -0.436 51.562 52.037 -0.065 0.000 0.694 185 A CB 0.585 19.532 19.000 -0.089 0.000 1.291 185 A HN 0.443 nan 8.150 nan 0.000 0.410 186 V N 0.867 120.625 119.914 -0.260 0.000 2.881 186 V HA 0.312 4.432 4.120 0.000 0.000 0.303 186 V C 0.823 176.872 176.094 -0.076 0.000 1.070 186 V CA 0.183 62.380 62.300 -0.172 0.000 1.074 186 V CB 0.960 32.640 31.823 -0.238 0.000 1.012 186 V HN 0.828 nan 8.190 nan 0.000 0.482 187 L N 2.194 123.399 121.223 -0.029 0.000 2.713 187 L HA 0.513 4.853 4.340 0.000 0.000 0.223 187 L C 0.554 177.422 176.870 -0.004 0.000 1.040 187 L CA 0.753 55.580 54.840 -0.022 0.000 0.894 187 L CB 0.521 42.565 42.059 -0.025 0.000 1.361 187 L HN 0.691 nan 8.230 nan 0.000 0.490 188 M N 0.507 120.110 119.600 0.005 0.000 2.322 188 M HA 0.732 5.212 4.480 0.000 0.000 0.286 188 M C -1.746 174.559 176.300 0.007 0.000 1.111 188 M CA -0.504 54.800 55.300 0.007 0.000 0.941 188 M CB 1.614 34.218 32.600 0.007 0.000 1.671 188 M HN -0.206 nan 8.290 nan 0.000 0.470 189 V N 1.697 121.610 119.914 -0.002 0.000 2.623 189 V HA 0.852 4.972 4.120 0.000 0.000 0.304 189 V C -0.833 175.239 176.094 -0.037 0.000 1.054 189 V CA -0.785 61.509 62.300 -0.010 0.000 0.882 189 V CB 1.810 33.631 31.823 -0.003 0.000 1.002 189 V HN 1.094 nan 8.190 nan 0.000 0.424 190 E N 3.168 123.348 120.200 -0.032 0.000 2.224 190 E HA 0.766 5.116 4.350 0.000 0.000 0.265 190 E C -0.701 175.874 176.600 -0.042 0.000 0.878 190 E CA -0.207 56.164 56.400 -0.048 0.000 0.759 190 E CB 2.030 31.705 29.700 -0.041 0.000 1.164 190 E HN 0.885 nan 8.360 nan 0.000 0.414 191 S N 2.784 118.448 115.700 -0.061 0.000 2.588 191 S HA 0.780 5.250 4.470 0.000 0.000 0.275 191 S C -1.209 173.353 174.600 -0.063 0.000 1.130 191 S CA -1.032 57.138 58.200 -0.051 0.000 0.855 191 S CB 1.422 64.591 63.200 -0.052 0.000 1.116 191 S HN 0.495 nan 8.310 nan 0.000 0.472 192 E N 0.374 120.545 120.200 -0.048 0.000 2.287 192 E HA 0.702 5.053 4.350 0.000 0.000 0.274 192 E C -1.107 175.464 176.600 -0.047 0.000 0.896 192 E CA -1.314 55.053 56.400 -0.056 0.000 0.788 192 E CB 1.631 31.301 29.700 -0.050 0.000 1.244 192 E HN 0.942 nan 8.360 nan 0.000 0.408 193 A N 3.023 125.805 122.820 -0.062 0.000 2.469 193 A HA 0.410 4.731 4.320 0.000 0.000 0.299 193 A C -0.665 176.879 177.584 -0.067 0.000 1.098 193 A CA -0.877 51.122 52.037 -0.063 0.000 0.737 193 A CB 1.768 20.718 19.000 -0.084 0.000 1.312 193 A HN 0.647 nan 8.150 nan 0.000 0.414 194 Q N 1.102 120.867 119.800 -0.059 0.000 3.027 194 Q HA 0.397 4.737 4.340 0.000 0.000 0.260 194 Q C -1.154 174.811 176.000 -0.059 0.000 1.379 194 Q CA -0.370 55.401 55.803 -0.053 0.000 1.038 194 Q CB -0.401 28.317 28.738 -0.033 0.000 1.578 194 Q HN 0.577 nan 8.270 nan 0.000 0.571 195 L N 1.247 122.431 121.223 -0.066 0.000 3.790 195 L HA -0.272 4.068 4.340 0.000 0.000 0.602 195 L C -0.932 175.898 176.870 -0.067 0.000 1.172 195 L CA 0.916 55.719 54.840 -0.062 0.000 0.901 195 L CB -1.372 40.657 42.059 -0.050 0.000 1.342 195 L HN 0.538 nan 8.230 nan 0.000 0.820 196 L N -0.122 121.049 121.223 -0.086 0.000 2.322 196 L HA 0.721 5.061 4.340 0.000 0.000 0.269 196 L C 0.951 177.773 176.870 -0.080 0.000 1.012 196 L CA -0.552 54.222 54.840 -0.109 0.000 0.815 196 L CB 1.969 43.913 42.059 -0.191 0.000 1.295 196 L HN 0.495 nan 8.230 nan 0.000 0.438 197 S N -0.349 115.308 115.700 -0.072 0.000 2.608 197 S HA 0.120 4.591 4.470 0.000 0.000 0.261 197 S C 0.643 175.227 174.600 -0.027 0.000 1.314 197 S CA -0.495 57.682 58.200 -0.038 0.000 0.992 197 S CB 1.004 64.191 63.200 -0.023 0.000 0.935 197 S HN 0.625 nan 8.310 nan 0.000 0.564 198 E N 0.605 120.803 120.200 -0.003 0.000 2.150 198 E HA -0.074 4.276 4.350 0.000 0.000 0.193 198 E C 1.323 177.937 176.600 0.023 0.000 0.985 198 E CA 1.321 57.730 56.400 0.015 0.000 0.814 198 E CB -0.182 29.534 29.700 0.027 0.000 0.752 198 E HN 0.620 nan 8.360 nan 0.000 0.466 199 D N 0.416 120.830 120.400 0.022 0.000 2.144 199 D HA -0.124 4.516 4.640 0.000 0.000 0.200 199 D C 1.713 178.051 176.300 0.064 0.000 0.978 199 D CA 0.905 54.929 54.000 0.041 0.000 0.833 199 D CB -0.073 40.753 40.800 0.043 0.000 0.961 199 D HN 0.295 nan 8.370 nan 0.000 0.470 200 Q N -0.396 119.423 119.800 0.032 0.000 2.245 200 Q HA -0.017 4.323 4.340 0.000 0.000 0.201 200 Q C 1.966 177.981 176.000 0.024 0.000 0.955 200 Q CA 0.539 56.358 55.803 0.027 0.000 0.870 200 Q CB 0.036 28.666 28.738 -0.180 0.000 0.945 200 Q HN 0.120 nan 8.270 nan 0.000 0.461 201 M N 0.422 120.018 119.600 -0.006 0.000 2.156 201 M HA -0.085 4.395 4.480 0.000 0.000 0.264 201 M C 1.712 178.027 176.300 0.026 0.000 1.067 201 M CA 1.316 56.614 55.300 -0.004 0.000 1.131 201 M CB -0.122 32.472 32.600 -0.009 0.000 1.368 201 M HN 0.250 nan 8.290 nan 0.000 0.416 202 L N -0.286 120.960 121.223 0.038 0.000 2.131 202 L HA 0.238 4.578 4.340 0.000 0.000 0.206 202 L C 2.121 178.998 176.870 0.010 0.000 1.087 202 L CA 1.941 56.803 54.840 0.036 0.000 0.767 202 L CB -1.325 40.756 42.059 0.036 0.000 0.917 202 L HN 0.375 nan 8.230 nan 0.000 0.441 203 G N -0.934 107.877 108.800 0.019 0.000 2.432 203 G HA2 -0.208 3.752 3.960 0.000 0.000 0.219 203 G HA3 -0.208 3.752 3.960 0.000 0.000 0.219 203 G C 1.535 176.252 174.900 -0.306 0.000 1.135 203 G CA 0.660 45.731 45.100 -0.049 0.000 0.767 203 G HN 0.585 nan 8.290 nan 0.000 0.550 204 A N 0.047 122.733 122.820 -0.223 0.000 1.970 204 A HA 0.224 4.544 4.320 0.000 0.000 0.216 204 A C 2.512 180.073 177.584 -0.039 0.000 1.170 204 A CA 1.424 53.320 52.037 -0.235 0.000 0.645 204 A CB -0.247 18.788 19.000 0.057 0.000 0.816 204 A HN 0.223 nan 8.150 nan 0.000 0.447 205 V N -0.399 119.510 119.914 -0.008 0.000 2.379 205 V HA -0.176 3.944 4.120 0.000 0.000 0.245 205 V C 2.506 178.626 176.094 0.042 0.000 1.044 205 V CA 1.833 64.150 62.300 0.028 0.000 1.036 205 V CB -0.701 31.136 31.823 0.024 0.000 0.664 205 V HN 0.351 nan 8.190 nan 0.000 0.453 206 V N -0.526 119.400 119.914 0.020 0.000 2.358 206 V HA -0.226 3.894 4.120 0.000 0.000 0.246 206 V C 2.183 178.320 176.094 0.071 0.000 1.047 206 V CA 2.173 64.502 62.300 0.048 0.000 1.035 206 V CB -0.763 31.076 31.823 0.025 0.000 0.658 206 V HN 0.550 nan 8.190 nan 0.000 0.452 207 F N 2.110 121.977 119.950 -0.139 0.000 2.171 207 F HA -0.036 4.491 4.527 0.000 0.000 0.300 207 F C 2.139 177.910 175.800 -0.049 0.000 1.090 207 F CA 1.675 59.589 58.000 -0.145 0.000 1.293 207 F CB -0.662 38.128 39.000 -0.350 0.000 1.013 207 F HN 0.137 nan 8.300 nan 0.000 0.486 208 G N -1.244 107.569 108.800 0.023 0.000 2.403 208 G HA2 -0.254 3.706 3.960 0.000 0.000 0.216 208 G HA3 -0.254 3.706 3.960 0.000 0.000 0.216 208 G C 1.776 176.674 174.900 -0.004 0.000 1.154 208 G CA 0.807 45.906 45.100 -0.002 0.000 0.784 208 G HN 0.544 nan 8.290 nan 0.000 0.538 209 H N 0.818 119.857 119.070 -0.051 0.000 2.389 209 H HA 0.056 4.612 4.556 0.000 0.000 0.299 209 H C 2.167 177.456 175.328 -0.065 0.000 1.081 209 H CA 1.533 57.555 56.048 -0.044 0.000 1.345 209 H CB 0.150 29.892 29.762 -0.034 0.000 1.393 209 H HN 0.439 nan 8.280 nan 0.000 0.520 210 E N -0.139 119.959 120.200 -0.169 0.000 2.158 210 E HA -0.109 4.241 4.350 0.000 0.000 0.191 210 E C 2.316 178.784 176.600 -0.220 0.000 0.982 210 E CA 0.358 56.628 56.400 -0.216 0.000 0.823 210 E CB 0.283 29.914 29.700 -0.116 0.000 0.766 210 E HN 0.479 nan 8.360 nan 0.000 0.468 211 Q N 0.324 119.975 119.800 -0.249 0.000 2.212 211 Q HA -0.115 4.225 4.340 0.000 0.000 0.199 211 Q C 1.944 177.973 176.000 0.048 0.000 0.950 211 Q CA 0.927 56.615 55.803 -0.192 0.000 0.863 211 Q CB -0.003 28.497 28.738 -0.398 0.000 0.944 211 Q HN 0.502 nan 8.270 nan 0.000 0.465 212 Q N -0.256 119.560 119.800 0.026 0.000 2.482 212 Q HA -0.024 4.316 4.340 0.000 0.000 0.209 212 Q C 1.358 177.300 176.000 -0.097 0.000 0.961 212 Q CA 0.333 56.171 55.803 0.059 0.000 0.945 212 Q CB 0.098 28.847 28.738 0.018 0.000 1.012 212 Q HN 0.128 nan 8.270 nan 0.000 0.515 213 Q N 0.665 120.385 119.800 -0.132 0.000 2.224 213 Q HA -0.075 4.265 4.340 0.000 0.000 0.203 213 Q C 2.164 178.073 176.000 -0.152 0.000 0.970 213 Q CA 1.229 56.929 55.803 -0.170 0.000 0.865 213 Q CB -0.012 28.617 28.738 -0.182 0.000 0.922 213 Q HN 0.400 nan 8.270 nan 0.000 0.445 214 V N 0.160 120.018 119.914 -0.094 0.000 2.407 214 V HA -0.200 3.920 4.120 0.000 0.000 0.248 214 V C 2.445 178.316 176.094 -0.373 0.000 1.055 214 V CA 1.318 63.543 62.300 -0.124 0.000 1.049 214 V CB -0.719 31.166 31.823 0.103 0.000 0.662 214 V HN 0.088 nan 8.190 nan 0.000 0.455 215 V N 0.248 119.928 119.914 -0.389 0.000 2.358 215 V HA -0.228 3.892 4.120 0.000 0.000 0.246 215 V C 2.193 178.055 176.094 -0.386 0.000 1.047 215 V CA 2.134 64.140 62.300 -0.491 0.000 1.035 215 V CB -0.581 31.008 31.823 -0.389 0.000 0.658 215 V HN 0.460 nan 8.190 nan 0.000 0.452 216 I N -0.239 120.171 120.570 -0.267 0.000 2.315 216 I HA -0.258 3.912 4.170 0.000 0.000 0.248 216 I C 2.620 178.615 176.117 -0.203 0.000 1.117 216 I CA 1.444 62.626 61.300 -0.196 0.000 1.404 216 I CB -0.499 37.411 38.000 -0.150 0.000 1.071 216 I HN 0.326 nan 8.210 nan 0.000 0.419 217 Q N 0.562 120.225 119.800 -0.229 0.000 2.167 217 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 217 Q C 1.868 177.724 176.000 -0.241 0.000 0.970 217 Q CA 1.143 56.825 55.803 -0.202 0.000 0.855 217 Q CB -0.138 28.495 28.738 -0.176 0.000 0.911 217 Q HN 0.570 nan 8.270 nan 0.000 0.438 218 N N 0.174 118.640 118.700 -0.391 0.000 2.376 218 N HA 0.010 4.751 4.740 0.000 0.000 0.177 218 N C 1.739 177.087 175.510 -0.271 0.000 1.024 218 N CA 0.602 53.398 53.050 -0.423 0.000 0.893 218 N CB 0.239 38.179 38.487 -0.911 0.000 0.980 218 N HN 0.226 nan 8.380 nan 0.000 0.439 219 I N 1.635 122.056 120.570 -0.247 0.000 2.252 219 I HA -0.205 3.965 4.170 0.000 0.000 0.245 219 I C 1.794 177.847 176.117 -0.107 0.000 1.102 219 I CA 0.791 62.005 61.300 -0.142 0.000 1.385 219 I CB -0.202 37.721 38.000 -0.128 0.000 1.064 219 I HN 0.050 nan 8.210 nan 0.000 0.414 220 N N 0.715 119.347 118.700 -0.113 0.000 2.205 220 N HA -0.179 4.561 4.740 0.000 0.000 0.186 220 N C 1.674 177.143 175.510 -0.069 0.000 1.015 220 N CA 1.134 54.135 53.050 -0.083 0.000 0.862 220 N CB -0.211 38.226 38.487 -0.083 0.000 0.986 220 N HN 0.378 nan 8.380 nan 0.000 0.429 221 E N 0.722 120.874 120.200 -0.079 0.000 2.208 221 E HA -0.029 4.321 4.350 0.000 0.000 0.193 221 E C 2.067 178.643 176.600 -0.041 0.000 0.988 221 E CA 0.115 56.480 56.400 -0.058 0.000 0.828 221 E CB -0.161 29.500 29.700 -0.065 0.000 0.763 221 E HN 0.356 nan 8.360 nan 0.000 0.478 222 L N 0.426 121.622 121.223 -0.045 0.000 2.240 222 L HA -0.080 4.260 4.340 0.000 0.000 0.211 222 L C 2.118 178.974 176.870 -0.023 0.000 1.106 222 L CA 0.340 55.165 54.840 -0.025 0.000 0.793 222 L CB 0.170 42.217 42.059 -0.020 0.000 0.927 222 L HN -0.074 nan 8.230 nan 0.000 0.446 223 V N -0.354 119.539 119.914 -0.034 0.000 2.515 223 V HA -0.267 3.853 4.120 0.000 0.000 0.250 223 V C 2.251 178.335 176.094 -0.016 0.000 1.058 223 V CA 1.638 63.921 62.300 -0.029 0.000 1.064 223 V CB -0.568 31.233 31.823 -0.038 0.000 0.675 223 V HN 0.417 nan 8.190 nan 0.000 0.461 224 K N -0.361 120.028 120.400 -0.018 0.000 2.366 224 K HA -0.068 4.252 4.320 0.000 0.000 0.198 224 K C 1.957 178.555 176.600 -0.004 0.000 1.044 224 K CA 0.949 57.230 56.287 -0.010 0.000 0.973 224 K CB 0.059 32.550 32.500 -0.014 0.000 0.767 224 K HN 0.594 nan 8.250 nan 0.000 0.475 225 E N -0.090 120.108 120.200 -0.004 0.000 2.110 225 E HA 0.055 4.405 4.350 0.000 0.000 0.193 225 E C 0.966 177.570 176.600 0.007 0.000 0.950 225 E CA 0.517 56.918 56.400 0.002 0.000 0.840 225 E CB 0.362 30.064 29.700 0.003 0.000 0.809 225 E HN 0.158 nan 8.360 nan 0.000 0.465 226 A N 1.214 124.038 122.820 0.006 0.000 2.606 226 A HA 0.384 4.704 4.320 0.000 0.000 0.290 226 A C 0.524 178.114 177.584 0.010 0.000 1.174 226 A CA -0.082 51.961 52.037 0.011 0.000 0.958 226 A CB 0.481 19.489 19.000 0.013 0.000 1.194 226 A HN 0.145 nan 8.150 nan 0.000 0.526 227 G N 0.522 109.326 108.800 0.007 0.000 2.355 227 G HA2 0.428 4.388 3.960 0.000 0.000 0.276 227 G HA3 0.428 4.388 3.960 0.000 0.000 0.276 227 G C -0.114 174.802 174.900 0.027 0.000 1.198 227 G CA -0.398 44.706 45.100 0.008 0.000 0.876 227 G HN 0.391 nan 8.290 nan 0.000 0.478 228 K N 2.906 123.330 120.400 0.041 0.000 2.295 228 K HA 0.180 4.500 4.320 0.000 0.000 0.270 228 K C -1.865 174.789 176.600 0.090 0.000 1.011 228 K CA -1.057 55.272 56.287 0.070 0.000 0.953 228 K CB 0.740 33.300 32.500 0.098 0.000 0.956 228 K HN 0.365 nan 8.250 nan 0.000 0.477 229 P HA -0.007 nan 4.420 nan 0.000 0.264 229 P C -0.700 176.702 177.300 0.170 0.000 1.183 229 P CA 0.130 63.291 63.100 0.102 0.000 0.763 229 P CB 0.472 32.218 31.700 0.078 0.000 0.807 230 R N 2.025 122.618 120.500 0.156 0.000 2.623 230 R HA 0.072 4.412 4.340 0.000 0.000 0.271 230 R C -0.042 176.456 176.300 0.329 0.000 1.043 230 R CA 0.306 56.534 56.100 0.213 0.000 1.083 230 R CB -0.131 30.251 30.300 0.138 0.000 0.974 230 R HN 0.463 nan 8.270 nan 0.000 0.436 231 W N 1.749 123.099 121.300 0.084 0.000 2.251 231 W HA -0.016 4.644 4.660 0.000 0.000 0.327 231 W C 0.417 177.042 176.519 0.177 0.000 1.361 231 W CA -0.295 57.132 57.345 0.136 0.000 1.234 231 W CB 0.077 29.638 29.460 0.168 0.000 1.212 231 W HN 0.489 nan 8.180 nan 0.000 0.557 232 D N 3.615 124.187 120.400 0.287 0.000 2.545 232 D HA 0.028 4.668 4.640 0.000 0.000 0.227 232 D C -1.098 175.388 176.300 0.310 0.000 1.150 232 D CA 0.012 54.144 54.000 0.221 0.000 1.046 232 D CB -0.449 40.408 40.800 0.095 0.000 1.098 232 D HN 0.288 nan 8.370 nan 0.000 0.502 233 W N 3.321 124.742 121.300 0.200 0.000 2.600 233 W HA 0.403 5.063 4.660 0.000 0.000 0.325 233 W C -1.139 175.470 176.519 0.150 0.000 1.034 233 W CA -0.682 56.794 57.345 0.219 0.000 1.226 233 W CB 1.244 30.919 29.460 0.358 0.000 1.379 233 W HN 0.038 nan 8.180 nan 0.000 0.466 234 Q N 5.755 125.271 119.800 -0.472 0.000 2.353 234 Q HA 0.391 4.731 4.340 0.000 0.000 0.268 234 Q C -2.218 173.221 176.000 -0.936 0.000 1.045 234 Q CA -1.938 53.601 55.803 -0.441 0.000 0.811 234 Q CB 1.831 30.430 28.738 -0.232 0.000 1.305 234 Q HN 0.316 nan 8.270 nan 0.000 0.447 235 P HA 0.038 nan 4.420 nan 0.000 0.272 235 P C -0.383 176.761 177.300 -0.260 0.000 1.223 235 P CA -0.340 62.519 63.100 -0.403 0.000 0.784 235 P CB 0.582 32.288 31.700 0.010 0.000 0.923 236 E N 2.985 123.091 120.200 -0.156 0.000 2.417 236 E HA 0.063 4.413 4.350 0.000 0.000 0.261 236 E C -1.730 174.839 176.600 -0.052 0.000 1.000 236 E CA -1.313 55.032 56.400 -0.092 0.000 0.919 236 E CB -0.593 29.089 29.700 -0.030 0.000 0.955 236 E HN 0.268 nan 8.360 nan 0.000 0.455 237 P HA -0.069 nan 4.420 nan 0.000 0.264 237 P C -0.532 176.760 177.300 -0.013 0.000 1.193 237 P CA -0.145 62.935 63.100 -0.033 0.000 0.763 237 P CB 0.772 32.451 31.700 -0.035 0.000 0.810 238 V N 3.758 123.669 119.914 -0.004 0.000 2.450 238 V HA 0.012 4.132 4.120 0.000 0.000 0.281 238 V C 0.305 176.401 176.094 0.003 0.000 1.019 238 V CA -0.114 62.190 62.300 0.006 0.000 1.062 238 V CB -0.481 31.348 31.823 0.010 0.000 0.979 238 V HN 0.536 nan 8.190 nan 0.000 0.477 239 N N 5.035 123.739 118.700 0.006 0.000 2.462 239 N HA 0.294 5.034 4.740 0.000 0.000 0.242 239 N C 0.605 176.119 175.510 0.007 0.000 1.010 239 N CA -0.321 52.732 53.050 0.005 0.000 0.939 239 N CB 1.575 40.065 38.487 0.005 0.000 1.127 239 N HN 0.694 nan 8.380 nan 0.000 0.509 240 E N 1.861 122.064 120.200 0.005 0.000 2.358 240 E HA 0.059 4.409 4.350 0.000 0.000 0.195 240 E C 1.399 178.003 176.600 0.006 0.000 1.010 240 E CA 0.625 57.029 56.400 0.006 0.000 0.856 240 E CB 0.106 29.808 29.700 0.004 0.000 0.795 240 E HN 0.677 nan 8.360 nan 0.000 0.504 241 A N 0.079 122.902 122.820 0.005 0.000 2.014 241 A HA -0.033 4.287 4.320 0.000 0.000 0.218 241 A C 1.903 179.491 177.584 0.008 0.000 1.163 241 A CA 0.868 52.908 52.037 0.005 0.000 0.652 241 A CB -0.112 18.890 19.000 0.004 0.000 0.808 241 A HN 0.230 nan 8.150 nan 0.000 0.449 242 L N -1.353 119.875 121.223 0.010 0.000 2.470 242 L HA 0.104 4.444 4.340 0.000 0.000 0.219 242 L C 1.029 177.908 176.870 0.015 0.000 1.071 242 L CA 0.098 54.946 54.840 0.013 0.000 0.850 242 L CB -0.055 42.013 42.059 0.015 0.000 1.040 242 L HN 0.183 nan 8.230 nan 0.000 0.475 243 N N 0.348 119.056 118.700 0.014 0.000 2.515 243 N HA 0.046 4.787 4.740 0.000 0.000 0.191 243 N C 1.050 176.567 175.510 0.011 0.000 1.182 243 N CA 0.740 53.799 53.050 0.015 0.000 0.879 243 N CB 0.504 39.000 38.487 0.015 0.000 0.984 243 N HN 0.264 nan 8.380 nan 0.000 0.453 244 A N -0.611 122.215 122.820 0.010 0.000 2.066 244 A HA 0.240 4.560 4.320 0.000 0.000 0.198 244 A C 2.036 179.625 177.584 0.009 0.000 1.405 244 A CA -0.108 51.934 52.037 0.008 0.000 0.973 244 A CB 0.405 19.409 19.000 0.006 0.000 1.026 244 A HN 0.019 nan 8.150 nan 0.000 0.474 245 R N -0.104 120.402 120.500 0.010 0.000 2.062 245 R HA -0.037 4.303 4.340 0.000 0.000 0.229 245 R C 1.833 178.140 176.300 0.012 0.000 1.128 245 R CA 1.673 57.779 56.100 0.010 0.000 0.960 245 R CB -0.241 30.066 30.300 0.010 0.000 0.855 245 R HN 0.335 nan 8.270 nan 0.000 0.432 246 V N 0.565 120.488 119.914 0.015 0.000 2.591 246 V HA -0.046 4.074 4.120 0.000 0.000 0.249 246 V C 1.804 177.907 176.094 0.017 0.000 1.053 246 V CA 1.503 63.813 62.300 0.017 0.000 1.068 246 V CB -0.316 31.520 31.823 0.022 0.000 0.689 246 V HN 0.311 nan 8.190 nan 0.000 0.462 247 A N -0.623 122.205 122.820 0.014 0.000 2.268 247 A HA 0.546 4.866 4.320 0.000 0.000 0.221 247 A C 1.644 179.234 177.584 0.010 0.000 1.287 247 A CA 1.027 53.072 52.037 0.012 0.000 0.902 247 A CB -0.467 18.539 19.000 0.010 0.000 0.877 247 A HN 0.543 nan 8.150 nan 0.000 0.487 248 A N -1.925 120.901 122.820 0.010 0.000 2.263 248 A HA 0.403 4.724 4.320 0.000 0.000 0.200 248 A C 1.300 178.890 177.584 0.009 0.000 1.428 248 A CA 0.472 52.515 52.037 0.009 0.000 1.050 248 A CB -0.019 18.985 19.000 0.007 0.000 1.226 248 A HN 0.486 nan 8.150 nan 0.000 0.501 249 L N -1.280 119.949 121.223 0.011 0.000 2.463 249 L HA 0.508 4.848 4.340 0.000 0.000 0.219 249 L C 1.944 178.822 176.870 0.013 0.000 1.088 249 L CA 1.668 56.514 54.840 0.011 0.000 0.849 249 L CB 0.351 42.416 42.059 0.011 0.000 1.012 249 L HN 0.308 nan 8.230 nan 0.000 0.468 250 A N -1.724 121.105 122.820 0.016 0.000 2.074 250 A HA 0.083 4.403 4.320 0.000 0.000 0.200 250 A C 2.042 179.639 177.584 0.023 0.000 1.335 250 A CA 0.414 52.463 52.037 0.020 0.000 0.922 250 A CB -0.243 18.771 19.000 0.024 0.000 0.972 250 A HN 0.315 nan 8.150 nan 0.000 0.475 251 E N 0.657 120.869 120.200 0.020 0.000 2.118 251 E HA -0.176 4.174 4.350 0.000 0.000 0.195 251 E C 1.987 178.599 176.600 0.021 0.000 0.992 251 E CA 1.271 57.682 56.400 0.019 0.000 0.804 251 E CB -0.166 29.541 29.700 0.011 0.000 0.741 251 E HN 0.533 nan 8.360 nan 0.000 0.458 252 A N 0.996 123.825 122.820 0.016 0.000 1.930 252 A HA -0.109 4.211 4.320 0.000 0.000 0.217 252 A C 2.121 179.716 177.584 0.018 0.000 1.175 252 A CA 1.101 53.147 52.037 0.015 0.000 0.627 252 A CB -0.271 18.736 19.000 0.011 0.000 0.815 252 A HN 0.155 nan 8.150 nan 0.000 0.443 253 R N -0.857 119.653 120.500 0.018 0.000 2.127 253 R HA 0.162 4.502 4.340 0.000 0.000 0.217 253 R C 1.770 178.083 176.300 0.022 0.000 1.074 253 R CA 0.764 56.873 56.100 0.014 0.000 0.991 253 R CB -0.326 29.979 30.300 0.007 0.000 0.895 253 R HN 0.462 nan 8.270 nan 0.000 0.450 254 L N 0.365 121.614 121.223 0.044 0.000 2.291 254 L HA -0.065 4.275 4.340 0.000 0.000 0.214 254 L C 2.110 179.070 176.870 0.150 0.000 1.120 254 L CA 0.795 55.693 54.840 0.096 0.000 0.799 254 L CB -0.097 42.035 42.059 0.122 0.000 0.925 254 L HN 0.091 nan 8.230 nan 0.000 0.446 255 S N -0.389 115.363 115.700 0.087 0.000 2.383 255 S HA -0.152 4.318 4.470 0.000 0.000 0.227 255 S C 1.373 176.019 174.600 0.075 0.000 1.026 255 S CA 1.190 59.437 58.200 0.079 0.000 0.981 255 S CB -0.146 63.077 63.200 0.039 0.000 0.818 255 S HN 0.434 nan 8.310 nan 0.000 0.472 256 D N 1.348 121.775 120.400 0.045 0.000 2.323 256 D HA 0.203 4.843 4.640 0.000 0.000 0.209 256 D C 1.913 178.215 176.300 0.004 0.000 0.973 256 D CA 0.671 54.685 54.000 0.024 0.000 0.874 256 D CB -0.242 40.564 40.800 0.010 0.000 0.930 256 D HN 0.366 nan 8.370 nan 0.000 0.521 257 A N -0.090 122.722 122.820 -0.013 0.000 1.929 257 A HA -0.142 4.178 4.320 0.000 0.000 0.216 257 A C 1.286 178.739 177.584 -0.218 0.000 1.176 257 A CA 0.806 52.763 52.037 -0.133 0.000 0.628 257 A CB -0.680 18.198 19.000 -0.204 0.000 0.816 257 A HN 0.225 nan 8.150 nan 0.000 0.444 258 Y N -0.976 119.303 120.300 -0.035 0.000 2.495 258 Y HA 0.236 4.786 4.550 0.000 0.000 0.293 258 Y C 2.046 177.937 175.900 -0.014 0.000 1.186 258 Y CA 0.194 58.274 58.100 -0.033 0.000 1.266 258 Y CB 0.009 38.443 38.460 -0.043 0.000 1.101 258 Y HN 0.257 nan 8.280 nan 0.000 0.517 259 R N 0.002 120.550 120.500 0.079 0.000 2.265 259 R HA 0.203 4.543 4.340 0.000 0.000 0.194 259 R C 0.106 176.426 176.300 0.033 0.000 0.931 259 R CA 0.065 56.198 56.100 0.055 0.000 1.032 259 R CB 0.238 30.560 30.300 0.038 0.000 0.980 259 R HN 0.221 nan 8.270 nan 0.000 0.497 260 I N 1.643 122.218 120.570 0.009 0.000 2.618 260 I HA -0.074 4.096 4.170 0.000 0.000 0.284 260 I C 1.822 177.953 176.117 0.024 0.000 1.146 260 I CA 0.005 61.307 61.300 0.004 0.000 1.425 260 I CB 1.698 39.685 38.000 -0.022 0.000 1.383 260 I HN 0.182 nan 8.210 nan 0.000 0.562 261 T N 0.600 115.172 114.554 0.030 0.000 2.809 261 T HA -0.087 4.263 4.350 0.000 0.000 0.260 261 T C 0.666 175.396 174.700 0.050 0.000 1.039 261 T CA 0.284 62.409 62.100 0.042 0.000 1.141 261 T CB -0.210 68.679 68.868 0.034 0.000 0.869 261 T HN 0.580 nan 8.240 nan 0.000 0.437 262 D N 0.964 121.389 120.400 0.041 0.000 2.382 262 D HA 0.186 4.826 4.640 0.000 0.000 0.245 262 D C 1.104 177.445 176.300 0.069 0.000 1.120 262 D CA -0.136 53.891 54.000 0.046 0.000 0.890 262 D CB 1.124 41.944 40.800 0.032 0.000 1.201 262 D HN 0.212 nan 8.370 nan 0.000 0.433 263 K N 1.901 122.348 120.400 0.078 0.000 2.031 263 K HA -0.149 4.171 4.320 0.000 0.000 0.205 263 K C 1.647 178.320 176.600 0.122 0.000 1.049 263 K CA 1.063 57.423 56.287 0.121 0.000 0.939 263 K CB 0.110 32.630 32.500 0.033 0.000 0.717 263 K HN 0.547 nan 8.250 nan 0.000 0.438 264 Q N 0.194 120.021 119.800 0.046 0.000 2.124 264 Q HA -0.161 4.179 4.340 0.000 0.000 0.202 264 Q C 1.699 177.734 176.000 0.058 0.000 0.977 264 Q CA 1.529 57.354 55.803 0.037 0.000 0.850 264 Q CB 0.116 28.861 28.738 0.012 0.000 0.901 264 Q HN 0.417 nan 8.270 nan 0.000 0.429 265 E N -0.003 120.225 120.200 0.047 0.000 2.216 265 E HA -0.107 4.243 4.350 0.000 0.000 0.192 265 E C 1.911 178.520 176.600 0.015 0.000 0.988 265 E CA 0.257 56.673 56.400 0.027 0.000 0.834 265 E CB 0.105 29.814 29.700 0.015 0.000 0.772 265 E HN 0.173 nan 8.360 nan 0.000 0.479 266 R N 0.042 120.562 120.500 0.034 0.000 2.055 266 R HA -0.083 4.257 4.340 0.000 0.000 0.226 266 R C 1.781 178.031 176.300 -0.083 0.000 1.135 266 R CA 1.005 57.074 56.100 -0.052 0.000 0.959 266 R CB -0.151 30.118 30.300 -0.052 0.000 0.854 266 R HN 0.160 nan 8.270 nan 0.000 0.431 267 Y N 0.216 120.457 120.300 -0.098 0.000 2.333 267 Y HA -0.120 4.430 4.550 0.000 0.000 0.290 267 Y C 2.320 178.184 175.900 -0.059 0.000 1.144 267 Y CA 1.145 59.198 58.100 -0.078 0.000 1.228 267 Y CB 0.009 38.445 38.460 -0.040 0.000 0.985 267 Y HN 0.303 nan 8.280 nan 0.000 0.542 268 A N -0.640 122.235 122.820 0.092 0.000 1.968 268 A HA -0.196 4.124 4.320 0.000 0.000 0.217 268 A C 2.015 179.596 177.584 -0.005 0.000 1.169 268 A CA 1.534 53.595 52.037 0.040 0.000 0.638 268 A CB -0.459 18.561 19.000 0.033 0.000 0.812 268 A HN 0.409 nan 8.150 nan 0.000 0.446 269 Q N -0.182 119.595 119.800 -0.038 0.000 2.083 269 Q HA -0.049 4.291 4.340 0.000 0.000 0.198 269 Q C 1.806 177.749 176.000 -0.096 0.000 0.969 269 Q CA 1.928 57.692 55.803 -0.065 0.000 0.838 269 Q CB -0.471 28.218 28.738 -0.082 0.000 0.900 269 Q HN 0.283 nan 8.270 nan 0.000 0.436 270 V N 1.489 121.303 119.914 -0.166 0.000 2.392 270 V HA -0.237 3.883 4.120 0.000 0.000 0.249 270 V C 2.007 178.048 176.094 -0.088 0.000 1.059 270 V CA 2.082 64.267 62.300 -0.191 0.000 1.051 270 V CB -0.707 30.898 31.823 -0.362 0.000 0.658 270 V HN 0.503 nan 8.190 nan 0.000 0.455 271 D N 0.452 120.820 120.400 -0.053 0.000 2.117 271 D HA -0.131 4.509 4.640 0.000 0.000 0.198 271 D C 2.073 178.371 176.300 -0.004 0.000 0.982 271 D CA 1.829 55.824 54.000 -0.009 0.000 0.828 271 D CB -0.095 40.716 40.800 0.018 0.000 0.967 271 D HN 0.409 nan 8.370 nan 0.000 0.464 272 V N -1.219 118.689 119.914 -0.010 0.000 2.809 272 V HA -0.045 4.075 4.120 0.000 0.000 0.256 272 V C 2.392 178.483 176.094 -0.004 0.000 1.080 272 V CA 0.741 63.038 62.300 -0.004 0.000 1.102 272 V CB -0.604 31.216 31.823 -0.005 0.000 0.705 272 V HN 0.013 nan 8.190 nan 0.000 0.475 273 I N 0.600 121.163 120.570 -0.011 0.000 2.286 273 I HA -0.095 4.075 4.170 0.000 0.000 0.245 273 I C 2.612 178.734 176.117 0.007 0.000 1.104 273 I CA 1.890 63.187 61.300 -0.004 0.000 1.397 273 I CB -0.469 37.525 38.000 -0.010 0.000 1.072 273 I HN 0.255 nan 8.210 nan 0.000 0.417 274 K N 0.172 120.577 120.400 0.009 0.000 2.097 274 K HA -0.134 4.186 4.320 0.000 0.000 0.206 274 K C 2.160 178.773 176.600 0.021 0.000 1.049 274 K CA 1.604 57.904 56.287 0.021 0.000 0.933 274 K CB 0.029 32.546 32.500 0.027 0.000 0.717 274 K HN 0.217 nan 8.250 nan 0.000 0.442 275 S N 0.935 116.645 115.700 0.016 0.000 2.371 275 S HA -0.075 4.395 4.470 0.000 0.000 0.224 275 S C 1.513 176.121 174.600 0.014 0.000 1.029 275 S CA 1.109 59.318 58.200 0.016 0.000 0.978 275 S CB -0.077 63.131 63.200 0.014 0.000 0.833 275 S HN 0.394 nan 8.310 nan 0.000 0.466 276 E N 0.573 120.780 120.200 0.011 0.000 2.216 276 E HA -0.034 4.316 4.350 0.000 0.000 0.192 276 E C 1.839 178.446 176.600 0.012 0.000 0.988 276 E CA 1.061 57.467 56.400 0.010 0.000 0.834 276 E CB -0.119 29.585 29.700 0.007 0.000 0.772 276 E HN 0.398 nan 8.360 nan 0.000 0.479 277 T N 1.239 115.802 114.554 0.014 0.000 2.812 277 T HA -0.059 4.291 4.350 0.000 0.000 0.264 277 T C 1.978 176.689 174.700 0.018 0.000 1.042 277 T CA 0.739 62.848 62.100 0.016 0.000 1.140 277 T CB -0.077 68.802 68.868 0.020 0.000 0.870 277 T HN 0.101 nan 8.240 nan 0.000 0.445 278 I N 1.507 122.089 120.570 0.020 0.000 2.315 278 I HA -0.099 4.071 4.170 0.000 0.000 0.248 278 I C 2.916 179.043 176.117 0.017 0.000 1.117 278 I CA 0.861 62.174 61.300 0.020 0.000 1.404 278 I CB -0.463 37.552 38.000 0.024 0.000 1.071 278 I HN 0.174 nan 8.210 nan 0.000 0.419 279 A N 0.600 123.429 122.820 0.015 0.000 1.972 279 A HA -0.189 4.131 4.320 0.000 0.000 0.219 279 A C 2.365 179.956 177.584 0.011 0.000 1.169 279 A CA 2.383 54.428 52.037 0.013 0.000 0.635 279 A CB -1.004 18.003 19.000 0.012 0.000 0.810 279 A HN 0.414 nan 8.150 nan 0.000 0.446 280 T N 0.109 114.670 114.554 0.011 0.000 2.857 280 T HA 0.022 4.372 4.350 0.000 0.000 0.266 280 T C 1.731 176.438 174.700 0.011 0.000 1.048 280 T CA 1.234 63.340 62.100 0.010 0.000 1.139 280 T CB -0.262 68.612 68.868 0.010 0.000 0.874 280 T HN 0.352 nan 8.240 nan 0.000 0.455 281 L N 0.239 121.470 121.223 0.012 0.000 2.156 281 L HA 0.107 4.447 4.340 0.000 0.000 0.208 281 L C 2.297 179.175 176.870 0.012 0.000 1.095 281 L CA 0.763 55.610 54.840 0.013 0.000 0.770 281 L CB -0.456 41.612 42.059 0.015 0.000 0.914 281 L HN 0.220 nan 8.230 nan 0.000 0.439 282 L N -0.590 120.640 121.223 0.013 0.000 2.156 282 L HA -0.115 4.225 4.340 0.000 0.000 0.208 282 L C 2.708 179.584 176.870 0.010 0.000 1.095 282 L CA 0.977 55.824 54.840 0.012 0.000 0.770 282 L CB -0.540 41.526 42.059 0.013 0.000 0.914 282 L HN 0.214 nan 8.230 nan 0.000 0.439 283 A N -0.825 122.001 122.820 0.009 0.000 2.067 283 A HA -0.095 4.225 4.320 0.000 0.000 0.217 283 A C 2.133 179.722 177.584 0.007 0.000 1.156 283 A CA 0.834 52.875 52.037 0.008 0.000 0.683 283 A CB -0.129 18.875 19.000 0.008 0.000 0.808 283 A HN 0.273 nan 8.150 nan 0.000 0.455 284 E N 0.877 121.082 120.200 0.008 0.000 2.008 284 E HA -0.036 4.314 4.350 0.000 0.000 0.191 284 E C -0.207 176.397 176.600 0.007 0.000 0.986 284 E CA 1.394 57.799 56.400 0.007 0.000 0.807 284 E CB -0.204 29.501 29.700 0.008 0.000 0.766 284 E HN 0.837 nan 8.360 nan 0.000 0.450 285 D N -1.429 118.975 120.400 0.008 0.000 2.654 285 D HA 0.168 4.808 4.640 0.000 0.000 0.231 285 D C -0.523 175.781 176.300 0.008 0.000 1.239 285 D CA -0.437 53.567 54.000 0.007 0.000 0.790 285 D CB 0.497 41.300 40.800 0.006 0.000 1.480 285 D HN -0.283 nan 8.370 nan 0.000 0.442 286 E N -0.432 119.772 120.200 0.008 0.000 2.465 286 E HA 0.089 4.439 4.350 0.000 0.000 0.191 286 E C 1.366 177.971 176.600 0.008 0.000 1.053 286 E CA 0.525 56.930 56.400 0.008 0.000 0.869 286 E CB 0.244 29.949 29.700 0.008 0.000 0.977 286 E HN 0.651 nan 8.360 nan 0.000 0.483 287 T N -1.759 112.799 114.554 0.007 0.000 3.023 287 T HA 0.041 4.391 4.350 0.000 0.000 0.266 287 T C 0.821 175.526 174.700 0.008 0.000 1.093 287 T CA 0.099 62.203 62.100 0.007 0.000 1.129 287 T CB -0.153 68.718 68.868 0.005 0.000 0.899 287 T HN -0.066 nan 8.240 nan 0.000 0.491 288 L N 1.853 123.082 121.223 0.010 0.000 2.472 288 L HA 0.467 4.807 4.340 0.000 0.000 0.260 288 L C 0.375 177.254 176.870 0.014 0.000 1.209 288 L CA -0.536 54.312 54.840 0.012 0.000 0.817 288 L CB 0.036 42.104 42.059 0.014 0.000 1.106 288 L HN 0.066 nan 8.230 nan 0.000 0.479 289 D N -0.664 119.746 120.400 0.016 0.000 2.255 289 D HA 0.101 4.741 4.640 0.000 0.000 0.249 289 D C 0.673 176.988 176.300 0.025 0.000 1.078 289 D CA -0.253 53.758 54.000 0.019 0.000 0.896 289 D CB 1.418 42.229 40.800 0.020 0.000 1.194 289 D HN 0.568 nan 8.370 nan 0.000 0.429 290 E N 1.940 122.156 120.200 0.027 0.000 2.072 290 E HA -0.114 4.236 4.350 0.000 0.000 0.190 290 E C 0.989 177.612 176.600 0.038 0.000 0.982 290 E CA 1.323 57.742 56.400 0.031 0.000 0.803 290 E CB 0.050 29.769 29.700 0.031 0.000 0.755 290 E HN 0.422 nan 8.360 nan 0.000 0.453 291 N N 0.436 119.161 118.700 0.041 0.000 2.409 291 N HA -0.101 4.639 4.740 0.000 0.000 0.179 291 N C 1.447 176.987 175.510 0.051 0.000 1.032 291 N CA 0.673 53.753 53.050 0.050 0.000 0.898 291 N CB -0.037 38.483 38.487 0.055 0.000 0.971 291 N HN 0.371 nan 8.380 nan 0.000 0.441 292 E N 0.854 121.080 120.200 0.043 0.000 2.106 292 E HA -0.039 4.311 4.350 0.000 0.000 0.192 292 E C 1.738 178.365 176.600 0.046 0.000 0.984 292 E CA 0.511 56.937 56.400 0.042 0.000 0.806 292 E CB 0.126 29.845 29.700 0.032 0.000 0.750 292 E HN 0.258 nan 8.360 nan 0.000 0.458 293 L N -0.392 120.857 121.223 0.043 0.000 2.109 293 L HA 0.006 4.346 4.340 0.000 0.000 0.207 293 L C 2.527 179.430 176.870 0.056 0.000 1.086 293 L CA 0.976 55.842 54.840 0.044 0.000 0.760 293 L CB -0.311 41.770 42.059 0.036 0.000 0.910 293 L HN 0.216 nan 8.230 nan 0.000 0.437 294 G N -0.713 108.122 108.800 0.060 0.000 2.484 294 G HA2 -0.222 3.739 3.960 0.000 0.000 0.218 294 G HA3 -0.222 3.739 3.960 0.000 0.000 0.218 294 G C 1.469 176.426 174.900 0.095 0.000 1.130 294 G CA 0.415 45.559 45.100 0.073 0.000 0.784 294 G HN 0.413 nan 8.290 nan 0.000 0.543 295 E N 0.418 120.670 120.200 0.086 0.000 2.076 295 E HA -0.080 4.270 4.350 0.000 0.000 0.190 295 E C 2.404 179.081 176.600 0.129 0.000 0.979 295 E CA 1.004 57.464 56.400 0.101 0.000 0.807 295 E CB -0.113 29.636 29.700 0.081 0.000 0.761 295 E HN 0.534 nan 8.360 nan 0.000 0.454 296 I N -1.192 119.435 120.570 0.095 0.000 2.617 296 I HA -0.065 4.105 4.170 0.000 0.000 0.256 296 I C 2.048 178.212 176.117 0.078 0.000 1.167 296 I CA 0.804 62.152 61.300 0.080 0.000 1.469 296 I CB -0.243 37.790 38.000 0.054 0.000 1.098 296 I HN 0.026 nan 8.210 nan 0.000 0.436 297 L N 0.360 121.636 121.223 0.088 0.000 2.141 297 L HA -0.170 4.170 4.340 0.000 0.000 0.209 297 L C 2.758 179.688 176.870 0.101 0.000 1.094 297 L CA 1.537 56.426 54.840 0.082 0.000 0.763 297 L CB -0.711 41.395 42.059 0.079 0.000 0.908 297 L HN 0.387 nan 8.230 nan 0.000 0.437 298 H N -0.405 118.691 119.070 0.043 0.000 2.423 298 H HA -0.073 4.483 4.556 0.000 0.000 0.297 298 H C 2.087 177.432 175.328 0.028 0.000 1.075 298 H CA 1.232 57.306 56.048 0.044 0.000 1.342 298 H CB 0.241 30.038 29.762 0.058 0.000 1.395 298 H HN 0.289 nan 8.280 nan 0.000 0.530 299 A N 0.302 123.163 122.820 0.068 0.000 1.968 299 A HA -0.040 4.280 4.320 0.000 0.000 0.217 299 A C 2.341 179.895 177.584 -0.051 0.000 1.169 299 A CA 1.325 53.368 52.037 0.009 0.000 0.638 299 A CB -0.555 18.478 19.000 0.055 0.000 0.812 299 A HN 0.497 nan 8.150 nan 0.000 0.446 300 I N -0.421 120.129 120.570 -0.033 0.000 2.353 300 I HA -0.216 3.954 4.170 0.000 0.000 0.248 300 I C 2.355 178.412 176.117 -0.099 0.000 1.119 300 I CA 1.309 62.583 61.300 -0.043 0.000 1.417 300 I CB -0.433 37.564 38.000 -0.004 0.000 1.078 300 I HN 0.372 nan 8.210 nan 0.000 0.421 301 E N 0.979 121.102 120.200 -0.128 0.000 2.110 301 E HA -0.279 4.071 4.350 0.000 0.000 0.193 301 E C 2.127 178.476 176.600 -0.419 0.000 0.988 301 E CA 1.167 57.419 56.400 -0.247 0.000 0.804 301 E CB -0.092 29.518 29.700 -0.150 0.000 0.745 301 E HN 0.379 nan 8.360 nan 0.000 0.458 302 K N 0.852 121.052 120.400 -0.333 0.000 2.155 302 K HA -0.155 4.165 4.320 0.000 0.000 0.203 302 K C 1.968 178.453 176.600 -0.191 0.000 1.052 302 K CA 1.205 57.333 56.287 -0.266 0.000 0.948 302 K CB 0.059 32.438 32.500 -0.202 0.000 0.728 302 K HN -0.066 nan 8.250 nan 0.000 0.448 303 N N 0.214 118.823 118.700 -0.152 0.000 2.171 303 N HA -0.122 4.618 4.740 0.000 0.000 0.184 303 N C 1.544 176.986 175.510 -0.114 0.000 1.021 303 N CA 1.306 54.294 53.050 -0.104 0.000 0.854 303 N CB -0.023 38.424 38.487 -0.067 0.000 0.994 303 N HN -0.017 nan 8.380 nan 0.000 0.426 304 V N -0.106 119.719 119.914 -0.148 0.000 2.358 304 V HA -0.157 3.963 4.120 0.000 0.000 0.246 304 V C 2.295 178.297 176.094 -0.153 0.000 1.047 304 V CA 1.324 63.545 62.300 -0.130 0.000 1.035 304 V CB -0.479 31.276 31.823 -0.112 0.000 0.658 304 V HN 0.168 nan 8.190 nan 0.000 0.452 305 V N -0.086 119.675 119.914 -0.255 0.000 2.307 305 V HA -0.219 3.901 4.120 0.000 0.000 0.245 305 V C 2.523 178.546 176.094 -0.118 0.000 1.045 305 V CA 1.965 64.136 62.300 -0.214 0.000 1.024 305 V CB -0.784 30.850 31.823 -0.315 0.000 0.651 305 V HN 0.443 nan 8.190 nan 0.000 0.449 306 R N -0.060 120.372 120.500 -0.112 0.000 2.148 306 R HA -0.066 4.274 4.340 0.000 0.000 0.227 306 R C 2.478 178.746 176.300 -0.053 0.000 1.103 306 R CA 1.353 57.411 56.100 -0.069 0.000 0.983 306 R CB -0.306 29.958 30.300 -0.061 0.000 0.874 306 R HN 0.446 nan 8.270 nan 0.000 0.451 307 S N 0.325 115.991 115.700 -0.058 0.000 2.406 307 S HA -0.022 4.449 4.470 0.000 0.000 0.228 307 S C 1.710 176.289 174.600 -0.035 0.000 1.020 307 S CA 0.870 59.044 58.200 -0.042 0.000 0.965 307 S CB 0.040 63.215 63.200 -0.041 0.000 0.798 307 S HN 0.311 nan 8.310 nan 0.000 0.488 308 R N 0.394 120.872 120.500 -0.038 0.000 2.093 308 R HA 0.083 4.423 4.340 0.000 0.000 0.224 308 R C 2.080 178.366 176.300 -0.024 0.000 1.101 308 R CA 0.790 56.874 56.100 -0.026 0.000 0.979 308 R CB -0.346 29.942 30.300 -0.020 0.000 0.877 308 R HN 0.228 nan 8.270 nan 0.000 0.441 309 V N 1.456 121.353 119.914 -0.028 0.000 2.453 309 V HA -0.178 3.942 4.120 0.000 0.000 0.247 309 V C 2.216 178.293 176.094 -0.029 0.000 1.048 309 V CA 1.478 63.764 62.300 -0.023 0.000 1.049 309 V CB -0.336 31.475 31.823 -0.020 0.000 0.672 309 V HN 0.257 nan 8.190 nan 0.000 0.457 310 L N 0.186 121.390 121.223 -0.032 0.000 2.056 310 L HA -0.096 4.244 4.340 0.000 0.000 0.207 310 L C 2.694 179.540 176.870 -0.041 0.000 1.078 310 L CA 1.569 56.387 54.840 -0.037 0.000 0.749 310 L CB -0.753 41.287 42.059 -0.032 0.000 0.901 310 L HN 0.346 nan 8.230 nan 0.000 0.433 311 A N -0.643 122.157 122.820 -0.033 0.000 1.968 311 A HA 0.125 4.445 4.320 0.000 0.000 0.217 311 A C 1.826 179.391 177.584 -0.032 0.000 1.169 311 A CA 1.400 53.418 52.037 -0.031 0.000 0.638 311 A CB -0.401 18.584 19.000 -0.025 0.000 0.812 311 A HN 0.560 nan 8.150 nan 0.000 0.446 312 G N -1.224 107.557 108.800 -0.030 0.000 2.175 312 G HA2 -0.136 3.824 3.960 0.000 0.000 0.182 312 G HA3 -0.136 3.824 3.960 0.000 0.000 0.182 312 G C -0.234 174.655 174.900 -0.019 0.000 1.003 312 G CA 0.067 45.150 45.100 -0.029 0.000 0.666 312 G HN 0.536 nan 8.290 nan 0.000 0.506 313 E N 2.157 122.347 120.200 -0.016 0.000 2.360 313 E HA 0.357 4.707 4.350 0.000 0.000 0.269 313 E C -1.878 174.719 176.600 -0.004 0.000 1.022 313 E CA -1.509 54.886 56.400 -0.009 0.000 0.887 313 E CB 0.917 30.613 29.700 -0.007 0.000 0.990 313 E HN 0.181 nan 8.360 nan 0.000 0.426 314 P HA -0.111 nan 4.420 nan 0.000 0.266 314 P C -0.291 177.017 177.300 0.013 0.000 1.186 314 P CA 0.569 63.673 63.100 0.006 0.000 0.767 314 P CB 0.588 32.293 31.700 0.009 0.000 0.820 315 R N 1.288 121.799 120.500 0.018 0.000 2.840 315 R HA 0.170 4.511 4.340 0.000 0.000 0.282 315 R C 2.072 178.398 176.300 0.044 0.000 1.133 315 R CA -0.516 55.601 56.100 0.028 0.000 1.208 315 R CB -0.170 30.149 30.300 0.031 0.000 1.160 315 R HN 0.381 nan 8.270 nan 0.000 0.576 316 I N 0.846 121.453 120.570 0.063 0.000 2.163 316 I HA -0.303 3.867 4.170 0.000 0.000 0.243 316 I C 1.676 177.838 176.117 0.074 0.000 1.085 316 I CA 1.635 62.990 61.300 0.092 0.000 1.347 316 I CB -0.430 37.654 38.000 0.138 0.000 1.044 316 I HN 0.696 nan 8.210 nan 0.000 0.408 317 D N 0.831 121.271 120.400 0.067 0.000 2.328 317 D HA 0.059 4.699 4.640 0.000 0.000 0.226 317 D C 1.105 177.429 176.300 0.040 0.000 1.066 317 D CA 0.651 54.684 54.000 0.055 0.000 0.861 317 D CB 0.025 40.861 40.800 0.059 0.000 0.912 317 D HN 0.378 nan 8.370 nan 0.000 0.521 318 G N 0.761 109.583 108.800 0.036 0.000 2.643 318 G HA2 -0.231 3.729 3.960 0.000 0.000 0.280 318 G HA3 -0.231 3.729 3.960 0.000 0.000 0.280 318 G C -0.352 174.560 174.900 0.021 0.000 1.120 318 G CA -0.378 44.737 45.100 0.026 0.000 1.165 318 G HN 0.419 nan 8.290 nan 0.000 0.540 319 R N -0.490 120.022 120.500 0.020 0.000 2.836 319 R HA 0.543 4.883 4.340 0.000 0.000 0.269 319 R C -0.330 175.974 176.300 0.007 0.000 1.010 319 R CA -1.086 55.022 56.100 0.013 0.000 0.930 319 R CB 1.398 31.708 30.300 0.018 0.000 1.218 319 R HN 0.262 nan 8.270 nan 0.000 0.473 320 E N 1.428 121.628 120.200 -0.000 0.000 2.322 320 E HA 0.055 4.405 4.350 0.000 0.000 0.257 320 E C 0.563 177.160 176.600 -0.004 0.000 1.155 320 E CA -0.155 56.242 56.400 -0.005 0.000 0.936 320 E CB 0.818 30.512 29.700 -0.011 0.000 1.130 320 E HN 0.537 nan 8.360 nan 0.000 0.465 321 K N 0.265 120.660 120.400 -0.008 0.000 2.283 321 K HA -0.135 4.185 4.320 0.000 0.000 0.202 321 K C 0.650 177.249 176.600 -0.003 0.000 1.048 321 K CA 1.748 58.031 56.287 -0.006 0.000 0.948 321 K CB 0.090 32.581 32.500 -0.014 0.000 0.742 321 K HN 0.298 nan 8.250 nan 0.000 0.458 322 D N 1.229 121.623 120.400 -0.010 0.000 2.422 322 D HA -0.015 4.625 4.640 0.000 0.000 0.218 322 D C 1.100 177.384 176.300 -0.027 0.000 1.047 322 D CA -0.110 53.883 54.000 -0.012 0.000 0.885 322 D CB -0.242 40.549 40.800 -0.014 0.000 1.035 322 D HN 0.406 nan 8.370 nan 0.000 0.502 323 M N 0.706 120.286 119.600 -0.034 0.000 2.250 323 M HA 0.516 4.996 4.480 0.000 0.000 0.344 323 M C -0.115 176.159 176.300 -0.043 0.000 1.150 323 M CA -0.937 54.326 55.300 -0.060 0.000 1.147 323 M CB 1.532 34.098 32.600 -0.057 0.000 1.498 323 M HN -0.052 nan 8.290 nan 0.000 0.461 324 I N -0.931 119.597 120.570 -0.070 0.000 3.076 324 I HA 0.660 4.830 4.170 0.000 0.000 0.313 324 I C -0.037 176.086 176.117 0.010 0.000 1.053 324 I CA -1.116 60.174 61.300 -0.016 0.000 1.048 324 I CB 1.081 39.083 38.000 0.004 0.000 1.264 324 I HN 0.743 nan 8.210 nan 0.000 0.498 325 R N 0.861 121.390 120.500 0.049 0.000 2.738 325 R HA 0.419 4.759 4.340 0.000 0.000 0.275 325 R C 0.300 176.640 176.300 0.066 0.000 1.121 325 R CA -0.044 56.089 56.100 0.056 0.000 1.207 325 R CB 0.079 30.420 30.300 0.069 0.000 1.141 325 R HN 0.971 nan 8.270 nan 0.000 0.571 326 G N 0.491 109.321 108.800 0.050 0.000 2.491 326 G HA2 0.344 4.304 3.960 0.000 0.000 0.242 326 G HA3 0.344 4.304 3.960 0.000 0.000 0.242 326 G C -0.556 174.352 174.900 0.014 0.000 1.266 326 G CA -0.453 44.669 45.100 0.037 0.000 0.844 326 G HN 0.244 nan 8.290 nan 0.000 0.571 327 L N 0.997 122.210 121.223 -0.017 0.000 2.362 327 L HA 0.499 4.839 4.340 0.000 0.000 0.271 327 L C -1.030 175.728 176.870 -0.187 0.000 1.002 327 L CA -0.926 53.840 54.840 -0.124 0.000 0.818 327 L CB 2.567 44.579 42.059 -0.078 0.000 1.298 327 L HN 0.434 nan 8.230 nan 0.000 0.420 328 D N 1.877 122.074 120.400 -0.339 0.000 2.602 328 D HA 0.384 5.024 4.640 0.000 0.000 0.245 328 D C -1.450 174.618 176.300 -0.387 0.000 1.325 328 D CA -0.190 53.648 54.000 -0.270 0.000 0.952 328 D CB 2.175 42.874 40.800 -0.168 0.000 1.317 328 D HN 0.068 nan 8.370 nan 0.000 0.577 329 V N 5.303 125.066 119.914 -0.252 0.000 2.347 329 V HA 0.549 4.669 4.120 0.000 0.000 0.280 329 V C 0.208 176.272 176.094 -0.050 0.000 1.021 329 V CA -0.542 61.665 62.300 -0.154 0.000 0.847 329 V CB 1.250 33.043 31.823 -0.049 0.000 0.990 329 V HN 0.379 nan 8.190 nan 0.000 0.444 330 R N 2.456 122.952 120.500 -0.007 0.000 2.483 330 R HA 0.575 4.915 4.340 0.000 0.000 0.303 330 R C -0.557 175.768 176.300 0.042 0.000 0.987 330 R CA -0.382 55.725 56.100 0.011 0.000 0.881 330 R CB 2.213 32.513 30.300 0.000 0.000 1.177 330 R HN 0.692 nan 8.270 nan 0.000 0.451 331 T N 0.144 114.720 114.554 0.037 0.000 2.918 331 T HA 0.499 4.849 4.350 0.000 0.000 0.286 331 T C 0.745 175.462 174.700 0.028 0.000 1.026 331 T CA 0.485 62.610 62.100 0.042 0.000 1.031 331 T CB 1.310 70.205 68.868 0.044 0.000 1.046 331 T HN 0.794 nan 8.240 nan 0.000 0.479 332 G N 2.429 111.245 108.800 0.027 0.000 2.225 332 G HA2 -0.213 3.748 3.960 0.000 0.000 0.264 332 G HA3 -0.213 3.748 3.960 0.000 0.000 0.264 332 G C 0.899 175.807 174.900 0.013 0.000 1.060 332 G CA 0.405 45.515 45.100 0.017 0.000 0.833 332 G HN 1.000 nan 8.290 nan 0.000 0.498 333 V N -0.818 119.107 119.914 0.018 0.000 2.548 333 V HA 0.316 4.436 4.120 0.000 0.000 0.249 333 V C 1.321 177.419 176.094 0.006 0.000 1.055 333 V CA 1.993 64.301 62.300 0.013 0.000 1.065 333 V CB -0.098 31.738 31.823 0.022 0.000 0.681 333 V HN 0.446 nan 8.190 nan 0.000 0.462 334 L N 0.761 121.987 121.223 0.005 0.000 2.334 334 L HA 0.445 4.785 4.340 0.000 0.000 0.276 334 L C -1.354 175.509 176.870 -0.012 0.000 1.014 334 L CA -1.479 53.358 54.840 -0.004 0.000 0.815 334 L CB 1.611 43.669 42.059 -0.002 0.000 1.268 334 L HN 0.002 nan 8.230 nan 0.000 0.428 335 P HA 0.064 nan 4.420 nan 0.000 0.220 335 P C 1.247 178.521 177.300 -0.043 0.000 1.154 335 P CA 0.585 63.669 63.100 -0.026 0.000 0.837 335 P CB 0.422 32.108 31.700 -0.024 0.000 0.815 336 R N -0.341 120.129 120.500 -0.050 0.000 2.080 336 R HA 0.090 4.430 4.340 0.000 0.000 0.222 336 R C 1.299 177.526 176.300 -0.122 0.000 1.107 336 R CA 0.718 56.773 56.100 -0.076 0.000 0.980 336 R CB -1.200 29.064 30.300 -0.060 0.000 0.879 336 R HN 0.213 nan 8.270 nan 0.000 0.439 337 T N -0.430 114.071 114.554 -0.088 0.000 2.856 337 T HA -0.017 4.334 4.350 0.000 0.000 0.306 337 T C 1.144 175.780 174.700 -0.107 0.000 1.062 337 T CA 0.017 62.062 62.100 -0.092 0.000 1.083 337 T CB 0.741 69.604 68.868 -0.010 0.000 0.984 337 T HN 0.280 nan 8.240 nan 0.000 0.542 338 H N 1.667 120.736 119.070 -0.001 0.000 2.270 338 H HA 0.190 4.747 4.556 0.000 0.000 0.299 338 H C 1.384 176.713 175.328 0.003 0.000 1.077 338 H CA 1.618 57.667 56.048 0.001 0.000 1.294 338 H CB -0.248 29.517 29.762 0.006 0.000 1.371 338 H HN 0.649 nan 8.280 nan 0.000 0.491 339 G N -0.777 108.107 108.800 0.139 0.000 2.415 339 G HA2 0.502 4.462 3.960 0.000 0.000 0.327 339 G HA3 0.502 4.462 3.960 0.000 0.000 0.327 339 G C -0.994 173.935 174.900 0.049 0.000 1.182 339 G CA -0.516 44.629 45.100 0.075 0.000 0.924 339 G HN 0.197 nan 8.290 nan 0.000 0.470 340 S N -0.446 115.279 115.700 0.041 0.000 2.571 340 S HA 0.835 5.305 4.470 0.000 0.000 0.284 340 S C -0.359 174.270 174.600 0.048 0.000 1.128 340 S CA -0.445 57.777 58.200 0.037 0.000 0.970 340 S CB 1.854 65.069 63.200 0.025 0.000 1.039 340 S HN 1.408 nan 8.310 nan 0.000 0.485 341 A N 2.125 124.980 122.820 0.059 0.000 2.547 341 A HA 0.817 5.137 4.320 0.000 0.000 0.297 341 A C -1.874 175.770 177.584 0.101 0.000 1.056 341 A CA -0.580 51.508 52.037 0.086 0.000 0.688 341 A CB 1.355 20.417 19.000 0.102 0.000 1.282 341 A HN 0.753 nan 8.150 nan 0.000 0.400 342 L N 2.168 123.459 121.223 0.114 0.000 2.485 342 L HA 0.692 5.032 4.340 0.000 0.000 0.260 342 L C -1.803 175.155 176.870 0.146 0.000 0.998 342 L CA -0.249 54.661 54.840 0.116 0.000 0.883 342 L CB 0.684 42.780 42.059 0.063 0.000 1.196 342 L HN 0.626 nan 8.230 nan 0.000 0.443 343 F N 3.194 123.175 119.950 0.052 0.000 2.421 343 F HA 0.734 5.261 4.527 0.000 0.000 0.337 343 F C -0.056 175.777 175.800 0.055 0.000 1.105 343 F CA 0.046 58.078 58.000 0.053 0.000 1.049 343 F CB 1.647 40.684 39.000 0.062 0.000 1.139 343 F HN 0.459 nan 8.300 nan 0.000 0.479 344 T N 5.219 119.598 114.554 -0.292 0.000 2.906 344 T HA 0.596 4.946 4.350 0.000 0.000 0.302 344 T C -0.348 174.249 174.700 -0.172 0.000 1.002 344 T CA -0.644 61.391 62.100 -0.108 0.000 0.988 344 T CB 1.002 69.818 68.868 -0.086 0.000 0.972 344 T HN 0.747 nan 8.240 nan 0.000 0.447 345 R N 1.537 122.081 120.500 0.073 0.000 2.275 345 R HA 0.821 5.161 4.340 0.000 0.000 0.326 345 R C 1.156 177.511 176.300 0.092 0.000 0.973 345 R CA -0.063 56.105 56.100 0.114 0.000 0.854 345 R CB 0.003 30.481 30.300 0.297 0.000 1.156 345 R HN 1.348 nan 8.270 nan 0.000 0.487 346 G N 1.797 110.629 108.800 0.053 0.000 2.675 346 G HA2 -0.374 3.586 3.960 0.000 0.000 0.312 346 G HA3 -0.374 3.586 3.960 0.000 0.000 0.312 346 G C 0.522 175.449 174.900 0.044 0.000 1.186 346 G CA 0.961 46.092 45.100 0.051 0.000 0.965 346 G HN 1.490 nan 8.290 nan 0.000 0.548 347 E N -0.067 120.167 120.200 0.057 0.000 3.388 347 E HA 0.533 4.883 4.350 0.000 0.000 0.214 347 E C -0.633 176.006 176.600 0.066 0.000 1.040 347 E CA 0.007 56.438 56.400 0.051 0.000 1.327 347 E CB 0.558 30.283 29.700 0.042 0.000 1.243 347 E HN 0.357 nan 8.360 nan 0.000 0.444 348 T N 0.932 115.539 114.554 0.087 0.000 2.949 348 T HA 0.279 4.629 4.350 0.000 0.000 0.300 348 T C -0.659 174.124 174.700 0.138 0.000 0.988 348 T CA -0.596 61.574 62.100 0.116 0.000 0.993 348 T CB 1.869 70.820 68.868 0.138 0.000 0.984 348 T HN 0.172 nan 8.240 nan 0.000 0.442 349 Q N 1.235 121.112 119.800 0.129 0.000 2.301 349 Q HA 0.805 5.145 4.340 0.000 0.000 0.267 349 Q C -0.932 175.169 176.000 0.167 0.000 1.035 349 Q CA -1.171 54.717 55.803 0.141 0.000 0.856 349 Q CB 2.411 31.209 28.738 0.099 0.000 1.337 349 Q HN 0.773 nan 8.270 nan 0.000 0.450 350 A N 2.257 125.192 122.820 0.193 0.000 2.679 350 A HA 0.329 4.649 4.320 0.000 0.000 0.288 350 A C -1.409 176.274 177.584 0.166 0.000 1.160 350 A CA -0.548 51.604 52.037 0.191 0.000 0.763 350 A CB 0.446 19.578 19.000 0.220 0.000 1.270 350 A HN 0.580 nan 8.150 nan 0.000 0.417 351 L N 3.837 125.135 121.223 0.125 0.000 2.462 351 L HA 0.414 4.754 4.340 0.000 0.000 0.283 351 L C -0.612 176.309 176.870 0.085 0.000 1.166 351 L CA 0.376 55.275 54.840 0.097 0.000 0.964 351 L CB 0.299 42.404 42.059 0.077 0.000 1.294 351 L HN 0.401 nan 8.230 nan 0.000 0.449 352 V N 3.623 123.590 119.914 0.089 0.000 2.427 352 V HA 0.580 4.700 4.120 0.000 0.000 0.286 352 V C 0.421 176.533 176.094 0.029 0.000 1.034 352 V CA -0.350 61.985 62.300 0.059 0.000 0.893 352 V CB 1.507 33.381 31.823 0.085 0.000 0.982 352 V HN 0.807 nan 8.190 nan 0.000 0.452 353 T N 1.712 116.260 114.554 -0.010 0.000 2.887 353 T HA 0.864 5.214 4.350 0.000 0.000 0.288 353 T C -0.428 174.252 174.700 -0.033 0.000 1.021 353 T CA -0.650 61.447 62.100 -0.005 0.000 1.000 353 T CB 2.010 70.878 68.868 0.001 0.000 1.034 353 T HN 0.988 nan 8.240 nan 0.000 0.467 354 A N 2.196 125.019 122.820 0.006 0.000 2.331 354 A HA 0.779 5.099 4.320 0.000 0.000 0.320 354 A C -0.024 177.589 177.584 0.048 0.000 1.138 354 A CA -0.824 51.217 52.037 0.006 0.000 0.790 354 A CB 1.066 20.083 19.000 0.028 0.000 1.206 354 A HN 0.911 nan 8.150 nan 0.000 0.470 355 T N 2.601 117.165 114.554 0.016 0.000 2.861 355 T HA 0.600 4.950 4.350 0.000 0.000 0.287 355 T C -0.531 174.123 174.700 -0.077 0.000 1.003 355 T CA -0.271 61.840 62.100 0.017 0.000 0.977 355 T CB 0.982 69.874 68.868 0.040 0.000 0.996 355 T HN 0.472 nan 8.240 nan 0.000 0.448 356 L N 2.058 123.099 121.223 -0.303 0.000 2.334 356 L HA 0.869 5.209 4.340 0.000 0.000 0.276 356 L C 0.689 177.444 176.870 -0.192 0.000 1.014 356 L CA -0.532 54.157 54.840 -0.252 0.000 0.815 356 L CB 1.799 43.632 42.059 -0.376 0.000 1.268 356 L HN 0.885 nan 8.230 nan 0.000 0.428 357 G N 0.183 108.965 108.800 -0.029 0.000 2.827 357 G HA2 0.625 4.585 3.960 0.000 0.000 0.296 357 G HA3 0.625 4.585 3.960 0.000 0.000 0.296 357 G C -0.771 174.204 174.900 0.125 0.000 1.362 357 G CA -0.254 44.863 45.100 0.028 0.000 0.809 357 G HN 0.506 nan 8.290 nan 0.000 0.522 358 T N -2.436 112.174 114.554 0.095 0.000 2.849 358 T HA 0.546 4.896 4.350 0.000 0.000 0.276 358 T C 1.747 176.461 174.700 0.023 0.000 0.971 358 T CA 0.616 62.766 62.100 0.083 0.000 0.949 358 T CB 1.326 70.226 68.868 0.052 0.000 1.093 358 T HN 1.220 nan 8.240 nan 0.000 0.545 359 A N 0.066 122.867 122.820 -0.032 0.000 2.015 359 A HA -0.016 4.304 4.320 0.000 0.000 0.219 359 A C 2.462 180.039 177.584 -0.011 0.000 1.163 359 A CA 0.855 52.866 52.037 -0.043 0.000 0.646 359 A CB -0.715 18.237 19.000 -0.079 0.000 0.806 359 A HN 0.834 nan 8.150 nan 0.000 0.448 360 R N -0.209 120.290 120.500 -0.002 0.000 2.148 360 R HA -0.048 4.292 4.340 0.000 0.000 0.223 360 R C 0.704 177.014 176.300 0.017 0.000 1.088 360 R CA 1.087 57.191 56.100 0.007 0.000 0.985 360 R CB -0.196 30.109 30.300 0.008 0.000 0.880 360 R HN 0.440 nan 8.270 nan 0.000 0.451 361 D N 1.027 121.440 120.400 0.022 0.000 2.347 361 D HA 0.011 4.651 4.640 0.000 0.000 0.215 361 D C 0.379 176.700 176.300 0.035 0.000 0.976 361 D CA 0.364 54.381 54.000 0.029 0.000 0.884 361 D CB 0.087 40.907 40.800 0.034 0.000 0.915 361 D HN 0.161 nan 8.370 nan 0.000 0.526 362 A N 0.891 123.730 122.820 0.033 0.000 2.462 362 A HA 0.057 4.377 4.320 0.000 0.000 0.243 362 A C 0.523 178.131 177.584 0.040 0.000 1.076 362 A CA -0.175 51.886 52.037 0.039 0.000 0.773 362 A CB 0.294 19.315 19.000 0.035 0.000 1.010 362 A HN 0.077 nan 8.150 nan 0.000 0.493 363 Q N 1.531 121.360 119.800 0.048 0.000 2.297 363 Q HA 0.362 4.702 4.340 0.000 0.000 0.267 363 Q C -1.061 174.965 176.000 0.044 0.000 1.006 363 Q CA -0.129 55.704 55.803 0.050 0.000 0.896 363 Q CB 0.506 29.280 28.738 0.060 0.000 1.186 363 Q HN 0.505 nan 8.270 nan 0.000 0.392 364 V N 7.089 127.027 119.914 0.040 0.000 2.217 364 V HA 0.143 4.263 4.120 0.000 0.000 0.264 364 V C -0.260 175.857 176.094 0.038 0.000 1.107 364 V CA -0.770 61.551 62.300 0.036 0.000 0.913 364 V CB 0.067 31.908 31.823 0.030 0.000 1.153 364 V HN 0.571 nan 8.190 nan 0.000 0.469 365 L N 1.838 123.085 121.223 0.041 0.000 2.290 365 L HA 0.685 5.025 4.340 0.000 0.000 0.284 365 L C -0.178 176.714 176.870 0.037 0.000 1.078 365 L CA -0.447 54.418 54.840 0.042 0.000 0.815 365 L CB 0.863 42.950 42.059 0.046 0.000 1.162 365 L HN 0.541 nan 8.230 nan 0.000 0.435 366 D N 2.054 122.475 120.400 0.035 0.000 2.443 366 D HA 0.299 4.939 4.640 0.000 0.000 0.221 366 D C -0.064 176.253 176.300 0.028 0.000 1.097 366 D CA -0.406 53.612 54.000 0.030 0.000 0.865 366 D CB 1.514 42.331 40.800 0.028 0.000 1.034 366 D HN 0.778 nan 8.370 nan 0.000 0.511 367 E N 1.751 121.968 120.200 0.028 0.000 2.849 367 E HA 0.085 4.436 4.350 0.000 0.000 0.257 367 E C 0.810 177.421 176.600 0.019 0.000 1.306 367 E CA -0.903 55.513 56.400 0.028 0.000 1.058 367 E CB 0.841 30.561 29.700 0.034 0.000 1.249 367 E HN 0.288 nan 8.360 nan 0.000 0.638 368 L N 0.949 122.182 121.223 0.016 0.000 2.201 368 L HA -0.101 4.239 4.340 0.000 0.000 0.212 368 L C 1.751 178.626 176.870 0.008 0.000 1.105 368 L CA 1.684 56.526 54.840 0.003 0.000 0.775 368 L CB -0.648 41.409 42.059 -0.003 0.000 0.913 368 L HN 0.753 nan 8.230 nan 0.000 0.440 369 M N -0.831 118.779 119.600 0.017 0.000 2.155 369 M HA 0.181 4.661 4.480 0.000 0.000 0.258 369 M C 1.000 177.310 176.300 0.017 0.000 1.092 369 M CA 1.189 56.499 55.300 0.017 0.000 1.153 369 M CB -0.185 32.427 32.600 0.021 0.000 1.316 369 M HN 0.298 nan 8.290 nan 0.000 0.431 370 G N -0.477 108.335 108.800 0.019 0.000 2.677 370 G HA2 0.288 4.248 3.960 0.000 0.000 0.291 370 G HA3 0.288 4.248 3.960 0.000 0.000 0.291 370 G C -1.683 173.230 174.900 0.021 0.000 1.435 370 G CA -0.635 44.477 45.100 0.019 0.000 0.826 370 G HN 0.227 nan 8.290 nan 0.000 0.491 371 E N 0.694 120.906 120.200 0.021 0.000 1.775 371 E HA 0.155 4.505 4.350 0.000 0.000 0.266 371 E C 0.640 177.254 176.600 0.024 0.000 1.191 371 E CA -0.421 55.993 56.400 0.023 0.000 1.048 371 E CB -0.091 29.622 29.700 0.021 0.000 1.081 371 E HN 0.468 nan 8.360 nan 0.000 0.434 372 R N 1.734 122.250 120.500 0.027 0.000 2.297 372 R HA 0.238 4.578 4.340 0.000 0.000 0.308 372 R C -0.405 175.916 176.300 0.034 0.000 1.029 372 R CA -0.639 55.478 56.100 0.029 0.000 0.929 372 R CB 0.728 31.046 30.300 0.031 0.000 1.046 372 R HN 0.130 nan 8.270 nan 0.000 0.461 373 T N -0.323 114.251 114.554 0.033 0.000 2.771 373 T HA 0.127 4.477 4.350 0.000 0.000 0.291 373 T C -0.445 174.284 174.700 0.048 0.000 0.954 373 T CA -0.881 61.242 62.100 0.037 0.000 1.045 373 T CB 1.312 70.197 68.868 0.030 0.000 0.917 373 T HN 0.620 nan 8.240 nan 0.000 0.484 374 D N 2.118 122.551 120.400 0.055 0.000 2.329 374 D HA 0.374 5.014 4.640 0.000 0.000 0.232 374 D C 0.899 177.248 176.300 0.081 0.000 1.088 374 D CA -0.455 53.589 54.000 0.073 0.000 0.835 374 D CB 1.453 42.294 40.800 0.067 0.000 1.078 374 D HN 0.560 nan 8.370 nan 0.000 0.495 375 T N 2.946 117.567 114.554 0.112 0.000 2.925 375 T HA 0.047 4.397 4.350 0.000 0.000 0.245 375 T C 0.642 175.447 174.700 0.174 0.000 1.025 375 T CA 0.040 62.216 62.100 0.126 0.000 1.149 375 T CB -0.239 68.706 68.868 0.128 0.000 0.866 375 T HN 0.396 nan 8.240 nan 0.000 0.437 376 F N 3.134 123.127 119.950 0.072 0.000 2.471 376 F HA 0.456 4.983 4.527 0.000 0.000 0.365 376 F C -0.711 175.133 175.800 0.073 0.000 1.095 376 F CA -1.183 56.867 58.000 0.084 0.000 1.174 376 F CB -0.072 38.981 39.000 0.088 0.000 1.105 376 F HN 0.006 nan 8.300 nan 0.000 0.535 377 L N 7.687 128.611 121.223 -0.498 0.000 2.322 377 L HA 0.437 4.777 4.340 0.000 0.000 0.281 377 L C -1.120 175.373 176.870 -0.629 0.000 1.014 377 L CA -0.712 53.872 54.840 -0.426 0.000 0.815 377 L CB 1.707 43.656 42.059 -0.183 0.000 1.247 377 L HN 0.566 nan 8.230 nan 0.000 0.421 378 F N 2.655 122.232 119.950 -0.623 0.000 2.507 378 F HA 0.484 5.011 4.527 0.000 0.000 0.328 378 F C -0.281 175.267 175.800 -0.420 0.000 1.136 378 F CA -0.401 57.342 58.000 -0.430 0.000 0.930 378 F CB 1.066 39.919 39.000 -0.244 0.000 1.166 378 F HN 0.412 nan 8.300 nan 0.000 0.436 379 H N 4.931 124.015 119.070 0.023 0.000 2.538 379 H HA 0.252 4.809 4.556 0.000 0.000 0.353 379 H C -1.682 173.792 175.328 0.243 0.000 1.109 379 H CA -0.585 55.541 56.048 0.130 0.000 1.192 379 H CB 2.299 32.068 29.762 0.012 0.000 1.555 379 H HN 0.636 nan 8.280 nan 0.000 0.518 380 Y N 2.988 123.457 120.300 0.282 0.000 2.425 380 Y HA 0.315 4.865 4.550 0.000 0.000 0.344 380 Y C -1.207 174.807 175.900 0.190 0.000 0.969 380 Y CA -0.778 57.472 58.100 0.250 0.000 1.052 380 Y CB 1.251 39.877 38.460 0.276 0.000 1.215 380 Y HN 0.512 nan 8.280 nan 0.000 0.451 381 N N 5.889 124.271 118.700 -0.529 0.000 2.295 381 N HA 0.258 4.998 4.740 0.000 0.000 0.293 381 N C -2.078 173.086 175.510 -0.576 0.000 1.040 381 N CA -0.423 52.365 53.050 -0.436 0.000 0.840 381 N CB 2.000 40.378 38.487 -0.182 0.000 1.468 381 N HN 0.653 nan 8.380 nan 0.000 0.478 382 F N 3.693 123.324 119.950 -0.531 0.000 2.451 382 F HA 0.450 4.977 4.527 0.000 0.000 0.367 382 F C -2.229 173.418 175.800 -0.254 0.000 1.100 382 F CA -1.795 55.996 58.000 -0.348 0.000 1.171 382 F CB 0.839 39.745 39.000 -0.157 0.000 1.405 382 F HN 0.266 nan 8.300 nan 0.000 0.482 383 P HA 0.271 nan 4.420 nan 0.000 0.276 383 P C -2.185 174.710 177.300 -0.675 0.000 1.244 383 P CA -1.491 61.267 63.100 -0.569 0.000 0.801 383 P CB 0.466 31.695 31.700 -0.786 0.000 1.006 384 P HA -0.136 nan 4.420 nan 0.000 0.226 384 P C 1.067 178.247 177.300 -0.199 0.000 1.153 384 P CA 1.205 64.177 63.100 -0.214 0.000 0.777 384 P CB -0.304 31.360 31.700 -0.061 0.000 0.794 385 Y N 0.068 120.272 120.300 -0.160 0.000 2.516 385 Y HA 0.014 4.564 4.550 0.000 0.000 0.291 385 Y C 2.259 178.066 175.900 -0.156 0.000 1.131 385 Y CA 0.740 58.762 58.100 -0.130 0.000 1.281 385 Y CB -1.562 36.837 38.460 -0.101 0.000 1.013 385 Y HN -0.058 nan 8.280 nan 0.000 0.554 386 S N 0.679 116.087 115.700 -0.487 0.000 2.402 386 S HA -0.163 4.307 4.470 0.000 0.000 0.229 386 S C 1.709 176.189 174.600 -0.200 0.000 1.021 386 S CA 1.167 59.141 58.200 -0.375 0.000 0.974 386 S CB -1.044 61.739 63.200 -0.695 0.000 0.800 386 S HN 0.491 nan 8.310 nan 0.000 0.484 387 V N -2.419 117.377 119.914 -0.197 0.000 3.125 387 V HA 0.631 4.751 4.120 0.000 0.000 0.249 387 V C 1.482 177.531 176.094 -0.075 0.000 1.113 387 V CA 0.213 62.460 62.300 -0.088 0.000 1.106 387 V CB -0.964 30.853 31.823 -0.010 0.000 0.768 387 V HN 0.911 nan 8.190 nan 0.000 0.468 388 G N 1.148 109.917 108.800 -0.052 0.000 2.309 388 G HA2 -0.090 3.870 3.960 0.000 0.000 0.183 388 G HA3 -0.090 3.870 3.960 0.000 0.000 0.183 388 G C -0.263 174.630 174.900 -0.012 0.000 1.063 388 G CA 0.184 45.272 45.100 -0.021 0.000 0.768 388 G HN 1.035 nan 8.290 nan 0.000 0.490 389 E N -1.360 118.835 120.200 -0.008 0.000 2.442 389 E HA 0.790 5.140 4.350 0.000 0.000 0.271 389 E C -0.278 176.327 176.600 0.008 0.000 1.002 389 E CA -0.503 55.898 56.400 0.002 0.000 0.864 389 E CB 1.006 30.708 29.700 0.004 0.000 1.573 389 E HN 0.580 nan 8.360 nan 0.000 0.456 390 T N -1.808 112.752 114.554 0.010 0.000 2.888 390 T HA 0.817 5.167 4.350 0.000 0.000 0.284 390 T C 0.208 174.914 174.700 0.010 0.000 1.017 390 T CA -0.146 61.961 62.100 0.013 0.000 1.022 390 T CB 1.496 70.371 68.868 0.012 0.000 1.013 390 T HN 0.871 nan 8.240 nan 0.000 0.465 391 G N 1.864 110.670 108.800 0.010 0.000 2.550 391 G HA2 0.498 4.458 3.960 0.000 0.000 0.293 391 G HA3 0.498 4.458 3.960 0.000 0.000 0.293 391 G C -0.916 173.990 174.900 0.009 0.000 1.402 391 G CA -1.168 43.938 45.100 0.010 0.000 0.784 391 G HN 0.705 nan 8.290 nan 0.000 0.482 392 M N -0.147 119.459 119.600 0.010 0.000 2.232 392 M HA 0.323 4.803 4.480 0.000 0.000 0.321 392 M C 0.236 176.541 176.300 0.007 0.000 1.101 392 M CA -0.066 55.239 55.300 0.008 0.000 1.181 392 M CB 1.054 33.659 32.600 0.008 0.000 1.432 392 M HN 0.193 nan 8.290 nan 0.000 0.457 393 V N 2.108 122.026 119.914 0.006 0.000 2.502 393 V HA 0.308 4.428 4.120 0.000 0.000 0.261 393 V C 0.786 176.881 176.094 0.001 0.000 0.996 393 V CA -0.102 62.200 62.300 0.003 0.000 1.095 393 V CB 0.568 32.396 31.823 0.008 0.000 1.325 393 V HN 1.125 nan 8.190 nan 0.000 0.574 394 G N 0.639 109.441 108.800 0.003 0.000 2.765 394 G HA2 0.276 4.236 3.960 0.000 0.000 0.218 394 G HA3 0.276 4.236 3.960 0.000 0.000 0.218 394 G C 0.604 175.505 174.900 0.001 0.000 1.271 394 G CA 0.732 45.833 45.100 0.002 0.000 0.865 394 G HN 0.514 nan 8.290 nan 0.000 0.604 395 S N -0.062 115.642 115.700 0.007 0.000 2.993 395 S HA 0.648 5.118 4.470 0.000 0.000 0.281 395 S C -2.733 171.879 174.600 0.019 0.000 1.033 395 S CA -0.622 57.585 58.200 0.011 0.000 0.950 395 S CB 1.746 64.956 63.200 0.016 0.000 1.349 395 S HN 0.258 nan 8.310 nan 0.000 0.652 396 P HA 0.472 nan 4.420 nan 0.000 0.304 396 P C -1.298 176.026 177.300 0.040 0.000 1.406 396 P CA -0.545 62.583 63.100 0.047 0.000 0.948 396 P CB 1.014 32.761 31.700 0.080 0.000 0.972 397 K N 1.595 122.016 120.400 0.034 0.000 2.185 397 K HA 0.079 4.399 4.320 0.000 0.000 0.245 397 K C 1.725 178.328 176.600 0.004 0.000 1.035 397 K CA -0.077 56.220 56.287 0.018 0.000 0.847 397 K CB 0.605 33.115 32.500 0.017 0.000 1.056 397 K HN 0.313 nan 8.250 nan 0.000 0.518 398 R N 0.756 121.248 120.500 -0.014 0.000 2.120 398 R HA -0.149 4.191 4.340 0.000 0.000 0.234 398 R C 2.292 178.537 176.300 -0.091 0.000 1.123 398 R CA 1.358 57.438 56.100 -0.033 0.000 0.975 398 R CB -0.116 30.168 30.300 -0.028 0.000 0.866 398 R HN 0.421 nan 8.270 nan 0.000 0.446 399 R N 1.281 121.706 120.500 -0.126 0.000 2.119 399 R HA -0.099 4.241 4.340 0.000 0.000 0.222 399 R C 1.688 177.735 176.300 -0.421 0.000 1.088 399 R CA 1.402 57.322 56.100 -0.300 0.000 0.984 399 R CB 0.207 30.374 30.300 -0.222 0.000 0.884 399 R HN 0.373 nan 8.270 nan 0.000 0.447 400 E N -0.488 119.669 120.200 -0.071 0.000 2.489 400 E HA -0.033 4.317 4.350 0.000 0.000 0.193 400 E C 1.366 178.105 176.600 0.232 0.000 1.057 400 E CA 0.260 56.798 56.400 0.230 0.000 0.866 400 E CB 0.184 30.036 29.700 0.254 0.000 0.916 400 E HN 0.380 nan 8.360 nan 0.000 0.500 401 I N 1.189 121.793 120.570 0.057 0.000 2.494 401 I HA 0.036 4.206 4.170 0.000 0.000 0.250 401 I C 2.497 178.623 176.117 0.014 0.000 1.112 401 I CA 0.891 62.230 61.300 0.066 0.000 1.438 401 I CB -0.176 37.849 38.000 0.041 0.000 1.111 401 I HN 0.236 nan 8.210 nan 0.000 0.431 402 G N -0.025 108.729 108.800 -0.076 0.000 2.422 402 G HA2 -0.211 3.749 3.960 0.000 0.000 0.218 402 G HA3 -0.211 3.749 3.960 0.000 0.000 0.218 402 G C 1.393 176.273 174.900 -0.034 0.000 1.140 402 G CA 0.677 45.729 45.100 -0.080 0.000 0.775 402 G HN 0.464 nan 8.290 nan 0.000 0.545 403 H N -0.222 118.767 119.070 -0.135 0.000 2.462 403 H HA 0.050 4.606 4.556 0.000 0.000 0.292 403 H C 2.821 177.939 175.328 -0.349 0.000 1.049 403 H CA 0.097 55.945 56.048 -0.334 0.000 1.334 403 H CB 0.254 29.653 29.762 -0.605 0.000 1.404 403 H HN 0.411 nan 8.280 nan 0.000 0.544 404 G N 0.868 109.672 108.800 0.006 0.000 2.402 404 G HA2 -0.265 3.695 3.960 0.000 0.000 0.216 404 G HA3 -0.265 3.695 3.960 0.000 0.000 0.216 404 G C 1.768 176.638 174.900 -0.050 0.000 1.162 404 G CA 0.364 45.526 45.100 0.102 0.000 0.777 404 G HN 0.205 nan 8.290 nan 0.000 0.539 405 R N -0.015 120.456 120.500 -0.049 0.000 2.153 405 R HA 0.252 4.592 4.340 0.000 0.000 0.218 405 R C 2.342 178.561 176.300 -0.136 0.000 1.072 405 R CA 0.570 56.627 56.100 -0.071 0.000 0.990 405 R CB -0.645 29.636 30.300 -0.032 0.000 0.889 405 R HN 0.381 nan 8.270 nan 0.000 0.452 406 L N -0.436 120.693 121.223 -0.156 0.000 2.017 406 L HA -0.104 4.236 4.340 0.000 0.000 0.208 406 L C 1.980 178.682 176.870 -0.280 0.000 1.073 406 L CA 1.801 56.531 54.840 -0.185 0.000 0.745 406 L CB -0.372 41.587 42.059 -0.166 0.000 0.894 406 L HN 0.340 nan 8.230 nan 0.000 0.432 407 A N -0.981 121.576 122.820 -0.439 0.000 2.067 407 A HA -0.183 4.137 4.320 0.000 0.000 0.217 407 A C 2.289 179.405 177.584 -0.780 0.000 1.156 407 A CA 1.298 52.945 52.037 -0.650 0.000 0.683 407 A CB -0.345 18.130 19.000 -0.876 0.000 0.808 407 A HN 0.416 nan 8.150 nan 0.000 0.455 408 K N -0.046 119.981 120.400 -0.622 0.000 2.097 408 K HA -0.094 4.226 4.320 0.000 0.000 0.205 408 K C 2.083 178.669 176.600 -0.023 0.000 1.050 408 K CA 1.180 57.383 56.287 -0.139 0.000 0.938 408 K CB -0.130 32.387 32.500 0.030 0.000 0.718 408 K HN 0.424 nan 8.250 nan 0.000 0.442 409 R N -0.709 119.725 120.500 -0.109 0.000 2.148 409 R HA -0.033 4.307 4.340 0.000 0.000 0.223 409 R C 2.192 178.420 176.300 -0.120 0.000 1.088 409 R CA 1.080 57.124 56.100 -0.094 0.000 0.985 409 R CB -0.121 30.122 30.300 -0.094 0.000 0.880 409 R HN 0.281 nan 8.270 nan 0.000 0.451 410 G N -0.394 108.315 108.800 -0.152 0.000 2.712 410 G HA2 -0.038 3.922 3.960 0.000 0.000 0.212 410 G HA3 -0.038 3.922 3.960 0.000 0.000 0.212 410 G C 1.120 175.947 174.900 -0.121 0.000 1.142 410 G CA 0.200 45.216 45.100 -0.140 0.000 0.789 410 G HN 0.127 nan 8.290 nan 0.000 0.535 411 V N -0.268 119.571 119.914 -0.125 0.000 3.455 411 V HA 0.204 4.324 4.120 0.000 0.000 0.250 411 V C 2.286 178.172 176.094 -0.348 0.000 1.230 411 V CA 0.061 62.272 62.300 -0.147 0.000 1.105 411 V CB 0.249 32.102 31.823 0.050 0.000 0.850 411 V HN 0.298 nan 8.190 nan 0.000 0.461 412 L N 1.132 122.124 121.223 -0.385 0.000 2.079 412 L HA -0.168 4.172 4.340 0.000 0.000 0.210 412 L C 2.486 179.205 176.870 -0.253 0.000 1.081 412 L CA 1.959 56.544 54.840 -0.426 0.000 0.752 412 L CB -0.273 41.658 42.059 -0.214 0.000 0.896 412 L HN 0.342 nan 8.230 nan 0.000 0.433 413 A N -1.356 121.360 122.820 -0.173 0.000 2.015 413 A HA -0.097 4.223 4.320 0.000 0.000 0.219 413 A C 2.067 179.582 177.584 -0.114 0.000 1.163 413 A CA 1.643 53.609 52.037 -0.119 0.000 0.646 413 A CB -0.535 18.408 19.000 -0.095 0.000 0.806 413 A HN 0.331 nan 8.150 nan 0.000 0.448 414 V N -0.189 119.642 119.914 -0.139 0.000 2.599 414 V HA -0.004 4.116 4.120 0.000 0.000 0.245 414 V C 1.194 177.212 176.094 -0.125 0.000 1.046 414 V CA 0.348 62.580 62.300 -0.113 0.000 1.065 414 V CB -0.683 31.081 31.823 -0.099 0.000 0.703 414 V HN 0.451 nan 8.190 nan 0.000 0.464 415 M N 2.408 121.890 119.600 -0.196 0.000 2.251 415 M HA 0.154 4.634 4.480 0.000 0.000 0.343 415 M C -2.023 174.221 176.300 -0.093 0.000 1.245 415 M CA -1.396 53.793 55.300 -0.185 0.000 1.061 415 M CB -0.206 32.181 32.600 -0.355 0.000 1.723 415 M HN 0.110 nan 8.290 nan 0.000 0.449 416 P HA 0.113 nan 4.420 nan 0.000 0.274 416 P C -0.765 176.566 177.300 0.052 0.000 1.246 416 P CA -0.404 62.705 63.100 0.015 0.000 0.795 416 P CB 0.318 32.046 31.700 0.046 0.000 1.006 417 D N 0.427 120.859 120.400 0.052 0.000 2.414 417 D HA 0.024 4.664 4.640 0.000 0.000 0.259 417 D C 1.230 177.577 176.300 0.079 0.000 1.269 417 D CA -0.268 53.764 54.000 0.052 0.000 1.028 417 D CB 0.066 40.884 40.800 0.031 0.000 1.093 417 D HN 0.106 nan 8.370 nan 0.000 0.545 418 M N -0.182 119.447 119.600 0.050 0.000 2.659 418 M HA -0.015 4.465 4.480 0.000 0.000 0.243 418 M C 0.289 176.589 176.300 0.000 0.000 1.111 418 M CA 0.648 55.964 55.300 0.027 0.000 1.070 418 M CB -0.544 32.060 32.600 0.007 0.000 1.525 418 M HN 0.377 nan 8.290 nan 0.000 0.517 419 D N -0.307 120.105 120.400 0.020 0.000 2.323 419 D HA -0.021 4.619 4.640 0.000 0.000 0.218 419 D C 1.920 178.241 176.300 0.035 0.000 0.973 419 D CA 0.771 54.777 54.000 0.010 0.000 0.890 419 D CB 0.195 41.002 40.800 0.011 0.000 1.011 419 D HN 0.276 nan 8.370 nan 0.000 0.499 420 K N -0.839 119.607 120.400 0.076 0.000 2.076 420 K HA -0.026 4.294 4.320 0.000 0.000 0.204 420 K C -0.217 176.519 176.600 0.227 0.000 1.051 420 K CA 0.513 56.873 56.287 0.122 0.000 0.949 420 K CB 0.310 32.878 32.500 0.113 0.000 0.726 420 K HN -0.021 nan 8.250 nan 0.000 0.443 421 F N 2.156 122.137 119.950 0.051 0.000 2.810 421 F HA 0.326 4.853 4.527 0.000 0.000 0.373 421 F C -2.553 173.288 175.800 0.068 0.000 1.174 421 F CA -2.602 55.463 58.000 0.108 0.000 1.141 421 F CB 1.829 40.904 39.000 0.125 0.000 1.420 421 F HN -0.093 nan 8.300 nan 0.000 0.518 422 P HA 0.219 nan 4.420 nan 0.000 0.209 422 P C -1.640 175.169 177.300 -0.818 0.000 1.843 422 P CA 0.137 62.964 63.100 -0.455 0.000 0.985 422 P CB -0.459 30.980 31.700 -0.434 0.000 1.904 423 Y N -1.403 118.648 120.300 -0.415 0.000 2.524 423 Y HA 0.332 4.882 4.550 0.000 0.000 0.347 423 Y C 0.797 176.673 175.900 -0.039 0.000 1.005 423 Y CA -0.833 57.081 58.100 -0.310 0.000 1.025 423 Y CB 1.633 39.755 38.460 -0.564 0.000 1.275 423 Y HN -0.255 nan 8.280 nan 0.000 0.460 424 T N 3.093 117.737 114.554 0.150 0.000 2.814 424 T HA 0.363 4.713 4.350 0.000 0.000 0.297 424 T C -0.378 174.415 174.700 0.155 0.000 0.956 424 T CA -0.342 61.839 62.100 0.135 0.000 1.123 424 T CB 0.097 69.013 68.868 0.079 0.000 0.902 424 T HN 0.292 nan 8.240 nan 0.000 0.528 425 V N 4.921 124.939 119.914 0.173 0.000 2.384 425 V HA 0.476 4.596 4.120 0.000 0.000 0.287 425 V C 0.278 176.352 176.094 -0.033 0.000 1.020 425 V CA -0.885 61.494 62.300 0.132 0.000 0.850 425 V CB 1.363 33.349 31.823 0.272 0.000 0.987 425 V HN 0.721 nan 8.190 nan 0.000 0.436 426 R N 3.931 124.399 120.500 -0.054 0.000 2.288 426 R HA 0.654 4.995 4.340 0.000 0.000 0.326 426 R C -1.546 174.656 176.300 -0.164 0.000 0.959 426 R CA -0.376 55.660 56.100 -0.106 0.000 0.834 426 R CB 1.560 31.856 30.300 -0.006 0.000 1.157 426 R HN 0.566 nan 8.270 nan 0.000 0.470 427 V N 5.745 125.444 119.914 -0.358 0.000 2.328 427 V HA 0.313 4.433 4.120 0.000 0.000 0.278 427 V C -0.241 175.513 176.094 -0.567 0.000 1.021 427 V CA -0.734 61.270 62.300 -0.493 0.000 0.838 427 V CB 1.487 32.872 31.823 -0.730 0.000 0.999 427 V HN 0.457 nan 8.190 nan 0.000 0.447 428 V N 3.834 123.574 119.914 -0.290 0.000 2.417 428 V HA 0.497 4.617 4.120 0.000 0.000 0.291 428 V C 0.257 176.290 176.094 -0.103 0.000 1.024 428 V CA -0.229 61.983 62.300 -0.147 0.000 0.861 428 V CB 1.804 33.598 31.823 -0.048 0.000 0.985 428 V HN 0.825 nan 8.190 nan 0.000 0.436 429 S N 3.698 119.397 115.700 -0.002 0.000 2.451 429 S HA 0.543 5.013 4.470 0.000 0.000 0.301 429 S C -0.654 174.001 174.600 0.093 0.000 1.116 429 S CA -0.640 57.633 58.200 0.120 0.000 1.093 429 S CB 0.859 64.270 63.200 0.352 0.000 1.017 429 S HN 0.725 nan 8.310 nan 0.000 0.482 430 E N 4.127 124.371 120.200 0.074 0.000 2.145 430 E HA 0.308 4.658 4.350 0.000 0.000 0.262 430 E C -0.577 176.047 176.600 0.039 0.000 0.883 430 E CA -0.629 55.785 56.400 0.024 0.000 0.748 430 E CB 1.114 30.837 29.700 0.039 0.000 1.140 430 E HN 0.554 nan 8.360 nan 0.000 0.417 431 I N 3.415 123.965 120.570 -0.034 0.000 2.436 431 I HA -0.002 4.168 4.170 0.000 0.000 0.289 431 I C 1.726 177.763 176.117 -0.133 0.000 1.083 431 I CA 0.339 61.623 61.300 -0.025 0.000 1.372 431 I CB 0.214 38.219 38.000 0.009 0.000 1.408 431 I HN 0.449 nan 8.210 nan 0.000 0.516 432 T N 2.470 117.028 114.554 0.007 0.000 3.034 432 T HA 0.248 4.598 4.350 0.000 0.000 0.248 432 T C 0.578 175.308 174.700 0.050 0.000 1.040 432 T CA 0.049 62.210 62.100 0.101 0.000 1.107 432 T CB 0.477 69.431 68.868 0.144 0.000 0.932 432 T HN 0.551 nan 8.240 nan 0.000 0.474 433 E N 0.426 120.642 120.200 0.027 0.000 2.340 433 E HA 0.604 4.954 4.350 0.000 0.000 0.273 433 E C -1.653 174.977 176.600 0.051 0.000 0.891 433 E CA -0.738 55.677 56.400 0.024 0.000 0.757 433 E CB 2.367 32.097 29.700 0.050 0.000 1.231 433 E HN 0.112 nan 8.360 nan 0.000 0.439 434 S N 1.521 117.253 115.700 0.054 0.000 2.779 434 S HA 0.349 4.819 4.470 0.000 0.000 0.293 434 S C -0.726 173.948 174.600 0.124 0.000 1.150 434 S CA -0.384 57.902 58.200 0.144 0.000 1.057 434 S CB 0.730 64.070 63.200 0.234 0.000 1.021 434 S HN 0.605 nan 8.310 nan 0.000 0.485 435 N N 3.959 122.734 118.700 0.125 0.000 3.251 435 N HA 0.408 5.148 4.740 0.000 0.000 0.227 435 N C 1.420 177.005 175.510 0.125 0.000 1.084 435 N CA 1.169 54.284 53.050 0.109 0.000 1.167 435 N CB -0.334 38.211 38.487 0.096 0.000 1.548 435 N HN 0.589 nan 8.380 nan 0.000 0.592 436 G N -0.411 108.457 108.800 0.113 0.000 2.765 436 G HA2 0.225 4.185 3.960 0.000 0.000 0.218 436 G HA3 0.225 4.185 3.960 0.000 0.000 0.218 436 G C 1.579 176.521 174.900 0.071 0.000 1.271 436 G CA 1.157 46.317 45.100 0.100 0.000 0.865 436 G HN 0.566 nan 8.290 nan 0.000 0.604 437 S N 0.641 116.383 115.700 0.070 0.000 2.344 437 S HA 0.009 4.479 4.470 0.000 0.000 0.217 437 S C 2.041 176.655 174.600 0.024 0.000 1.033 437 S CA 3.702 61.923 58.200 0.034 0.000 1.017 437 S CB -0.557 62.675 63.200 0.054 0.000 0.941 437 S HN 1.648 nan 8.310 nan 0.000 0.430 438 S N -1.230 114.529 115.700 0.098 0.000 1.619 438 S HA -0.300 4.170 4.470 0.000 0.000 0.235 438 S C 1.602 176.273 174.600 0.117 0.000 0.805 438 S CA 2.254 60.554 58.200 0.167 0.000 1.403 438 S CB -1.999 61.332 63.200 0.219 0.000 1.782 438 S HN 1.419 nan 8.310 nan 0.000 0.524 439 S N 0.273 115.955 115.700 -0.029 0.000 2.514 439 S HA 0.386 4.856 4.470 0.000 0.000 0.223 439 S C 1.694 176.221 174.600 -0.123 0.000 1.046 439 S CA 0.520 58.632 58.200 -0.146 0.000 0.914 439 S CB -0.282 62.702 63.200 -0.360 0.000 0.807 439 S HN 0.476 nan 8.310 nan 0.000 0.497 440 M N 1.465 121.012 119.600 -0.088 0.000 2.319 440 M HA 0.185 4.665 4.480 0.000 0.000 0.265 440 M C 2.211 178.434 176.300 -0.128 0.000 1.068 440 M CA 1.036 56.279 55.300 -0.096 0.000 1.118 440 M CB -1.509 31.059 32.600 -0.053 0.000 1.395 440 M HN 0.481 nan 8.290 nan 0.000 0.435 441 A N -0.718 122.054 122.820 -0.079 0.000 1.930 441 A HA -0.074 4.246 4.320 0.000 0.000 0.215 441 A C 2.459 179.927 177.584 -0.193 0.000 1.176 441 A CA 1.721 53.644 52.037 -0.190 0.000 0.632 441 A CB -0.726 18.361 19.000 0.144 0.000 0.819 441 A HN 0.427 nan 8.150 nan 0.000 0.445 442 S N -0.116 115.577 115.700 -0.011 0.000 2.359 442 S HA -0.190 4.280 4.470 0.000 0.000 0.222 442 S C 1.943 176.584 174.600 0.068 0.000 1.038 442 S CA 2.039 60.300 58.200 0.102 0.000 1.051 442 S CB -0.614 62.700 63.200 0.190 0.000 0.944 442 S HN 0.370 nan 8.310 nan 0.000 0.433 443 V N 1.303 121.197 119.914 -0.033 0.000 2.380 443 V HA -0.279 3.841 4.120 0.000 0.000 0.251 443 V C 2.610 178.655 176.094 -0.082 0.000 1.063 443 V CA 2.024 64.294 62.300 -0.051 0.000 1.055 443 V CB -1.319 30.428 31.823 -0.126 0.000 0.657 443 V HN 0.701 nan 8.190 nan 0.000 0.455 444 C N 0.794 119.949 119.300 -0.242 0.000 2.446 444 C HA 0.003 4.463 4.460 0.000 0.000 0.277 444 C C 2.930 177.788 174.990 -0.220 0.000 1.275 444 C CA 0.677 59.464 59.018 -0.387 0.000 1.727 444 C CB -1.701 25.409 27.740 -1.050 0.000 2.010 444 C HN 0.665 nan 8.230 nan 0.000 0.486 445 G N 0.199 108.912 108.800 -0.144 0.000 2.448 445 G HA2 0.084 4.044 3.960 0.000 0.000 0.218 445 G HA3 0.084 4.044 3.960 0.000 0.000 0.218 445 G C 1.815 176.771 174.900 0.093 0.000 1.135 445 G CA 0.910 46.043 45.100 0.055 0.000 0.784 445 G HN 0.601 nan 8.290 nan 0.000 0.543 446 A N 0.690 123.589 122.820 0.131 0.000 1.898 446 A HA 0.002 4.322 4.320 0.000 0.000 0.216 446 A C 2.603 180.265 177.584 0.130 0.000 1.181 446 A CA 2.191 54.342 52.037 0.190 0.000 0.620 446 A CB -0.754 18.496 19.000 0.417 0.000 0.819 446 A HN 0.384 nan 8.150 nan 0.000 0.442 447 S N -0.589 115.162 115.700 0.085 0.000 2.402 447 S HA -0.057 4.413 4.470 0.000 0.000 0.229 447 S C 1.861 176.490 174.600 0.049 0.000 1.021 447 S CA 1.316 59.546 58.200 0.051 0.000 0.974 447 S CB -0.476 62.735 63.200 0.018 0.000 0.800 447 S HN 0.483 nan 8.310 nan 0.000 0.484 448 L N 0.791 122.052 121.223 0.064 0.000 2.156 448 L HA 0.078 4.418 4.340 0.000 0.000 0.208 448 L C 2.862 179.769 176.870 0.062 0.000 1.095 448 L CA 1.055 55.939 54.840 0.073 0.000 0.770 448 L CB -0.575 41.553 42.059 0.115 0.000 0.914 448 L HN 0.353 nan 8.230 nan 0.000 0.439 449 A N 0.116 122.975 122.820 0.064 0.000 1.929 449 A HA -0.055 4.265 4.320 0.000 0.000 0.216 449 A C 2.245 179.854 177.584 0.043 0.000 1.176 449 A CA 1.048 53.117 52.037 0.052 0.000 0.628 449 A CB -0.489 18.538 19.000 0.045 0.000 0.816 449 A HN 0.329 nan 8.150 nan 0.000 0.444 450 L N -1.258 119.991 121.223 0.044 0.000 2.109 450 L HA -0.108 4.232 4.340 0.000 0.000 0.207 450 L C 2.748 179.612 176.870 -0.011 0.000 1.086 450 L CA 1.194 56.046 54.840 0.020 0.000 0.760 450 L CB -0.383 41.694 42.059 0.029 0.000 0.910 450 L HN 0.377 nan 8.230 nan 0.000 0.437 451 M N -0.768 118.833 119.600 0.002 0.000 2.319 451 M HA -0.177 4.303 4.480 0.000 0.000 0.265 451 M C 1.686 177.988 176.300 0.004 0.000 1.068 451 M CA 1.373 56.670 55.300 -0.005 0.000 1.118 451 M CB -0.303 32.300 32.600 0.005 0.000 1.395 451 M HN 0.167 nan 8.290 nan 0.000 0.435 452 D N 0.412 120.823 120.400 0.019 0.000 2.149 452 D HA -0.048 4.592 4.640 0.000 0.000 0.201 452 D C 1.853 178.170 176.300 0.030 0.000 0.972 452 D CA 1.447 55.462 54.000 0.025 0.000 0.835 452 D CB 0.228 41.049 40.800 0.034 0.000 0.966 452 D HN 0.251 nan 8.370 nan 0.000 0.476 453 A N -0.647 122.194 122.820 0.034 0.000 1.968 453 A HA 0.359 4.679 4.320 0.000 0.000 0.217 453 A C 1.851 179.451 177.584 0.026 0.000 1.169 453 A CA 1.401 53.471 52.037 0.055 0.000 0.638 453 A CB -0.385 18.654 19.000 0.065 0.000 0.812 453 A HN 0.527 nan 8.150 nan 0.000 0.446 454 G N -1.739 107.051 108.800 -0.017 0.000 2.151 454 G HA2 -0.061 3.899 3.960 0.000 0.000 0.156 454 G HA3 -0.061 3.899 3.960 0.000 0.000 0.156 454 G C -0.141 174.672 174.900 -0.145 0.000 1.017 454 G CA -0.167 44.906 45.100 -0.044 0.000 0.686 454 G HN 0.776 nan 8.290 nan 0.000 0.503 455 V N 2.128 121.914 119.914 -0.213 0.000 2.427 455 V HA 0.357 4.477 4.120 0.000 0.000 0.268 455 V C -1.172 174.715 176.094 -0.345 0.000 1.046 455 V CA -1.128 60.896 62.300 -0.461 0.000 0.970 455 V CB 1.200 32.816 31.823 -0.346 0.000 1.001 455 V HN 0.269 nan 8.190 nan 0.000 0.476 456 P HA 0.160 nan 4.420 nan 0.000 0.249 456 P C 0.005 177.216 177.300 -0.149 0.000 1.737 456 P CA 0.020 63.003 63.100 -0.195 0.000 1.128 456 P CB -0.296 31.328 31.700 -0.127 0.000 1.942 457 I N -1.608 118.889 120.570 -0.123 0.000 2.764 457 I HA 0.238 4.408 4.170 0.000 0.000 0.294 457 I C 1.388 177.469 176.117 -0.059 0.000 1.045 457 I CA -0.775 60.472 61.300 -0.087 0.000 1.340 457 I CB 0.918 38.874 38.000 -0.074 0.000 1.436 457 I HN -0.095 nan 8.210 nan 0.000 0.567 458 K N 2.858 123.227 120.400 -0.052 0.000 2.002 458 K HA 0.099 4.419 4.320 0.000 0.000 0.209 458 K C 0.630 177.211 176.600 -0.032 0.000 1.048 458 K CA 1.690 57.955 56.287 -0.038 0.000 0.930 458 K CB -0.150 32.328 32.500 -0.038 0.000 0.714 458 K HN 0.861 nan 8.250 nan 0.000 0.438 459 A N -0.267 122.532 122.820 -0.034 0.000 2.588 459 A HA 0.673 4.993 4.320 0.000 0.000 0.290 459 A C -1.639 175.931 177.584 -0.025 0.000 1.136 459 A CA -0.615 51.407 52.037 -0.026 0.000 0.681 459 A CB 0.977 19.963 19.000 -0.023 0.000 1.282 459 A HN 0.135 nan 8.150 nan 0.000 0.421 460 A N -0.348 122.462 122.820 -0.016 0.000 2.401 460 A HA 0.559 4.879 4.320 0.000 0.000 0.259 460 A C -0.190 177.382 177.584 -0.019 0.000 1.103 460 A CA -0.092 51.939 52.037 -0.011 0.000 0.789 460 A CB 0.272 19.272 19.000 0.001 0.000 1.035 460 A HN 1.902 nan 8.150 nan 0.000 0.491 461 V N 1.731 121.631 119.914 -0.023 0.000 2.604 461 V HA 0.802 4.922 4.120 0.000 0.000 0.305 461 V C 0.104 176.166 176.094 -0.053 0.000 1.043 461 V CA 0.325 62.602 62.300 -0.038 0.000 0.888 461 V CB 1.601 33.396 31.823 -0.046 0.000 0.995 461 V HN 1.548 nan 8.190 nan 0.000 0.429 462 A N 4.032 126.815 122.820 -0.061 0.000 2.515 462 A HA 1.004 5.324 4.320 0.000 0.000 0.296 462 A C -0.306 177.225 177.584 -0.089 0.000 1.094 462 A CA -0.179 51.806 52.037 -0.088 0.000 0.718 462 A CB 2.139 21.111 19.000 -0.047 0.000 1.307 462 A HN 1.552 nan 8.150 nan 0.000 0.408 463 G N -0.032 108.698 108.800 -0.116 0.000 2.701 463 G HA2 0.718 4.678 3.960 0.000 0.000 0.300 463 G HA3 0.718 4.678 3.960 0.000 0.000 0.300 463 G C -1.170 173.687 174.900 -0.072 0.000 1.410 463 G CA -0.325 44.715 45.100 -0.100 0.000 1.014 463 G HN 1.410 nan 8.290 nan 0.000 0.509 464 I N -0.586 119.959 120.570 -0.041 0.000 2.994 464 I HA 0.933 5.103 4.170 0.000 0.000 0.306 464 I C -0.060 176.052 176.117 -0.010 0.000 1.195 464 I CA -1.686 59.611 61.300 -0.005 0.000 1.001 464 I CB 1.907 39.931 38.000 0.039 0.000 1.244 464 I HN 0.751 nan 8.210 nan 0.000 0.437 465 A N 4.381 127.208 122.820 0.012 0.000 2.354 465 A HA 0.985 5.305 4.320 0.000 0.000 0.321 465 A C -0.682 176.953 177.584 0.086 0.000 1.125 465 A CA -0.731 51.322 52.037 0.027 0.000 0.799 465 A CB 1.515 20.512 19.000 -0.006 0.000 1.293 465 A HN 0.657 nan 8.150 nan 0.000 0.452 466 M N 0.867 120.561 119.600 0.155 0.000 2.528 466 M HA 0.570 5.050 4.480 0.000 0.000 0.321 466 M C 0.310 176.686 176.300 0.127 0.000 1.153 466 M CA -0.461 54.933 55.300 0.157 0.000 0.951 466 M CB 1.442 34.175 32.600 0.220 0.000 1.705 466 M HN 0.923 nan 8.290 nan 0.000 0.451 467 G N 1.092 109.936 108.800 0.074 0.000 2.600 467 G HA2 0.838 4.798 3.960 0.000 0.000 0.303 467 G HA3 0.838 4.798 3.960 0.000 0.000 0.303 467 G C -2.159 172.757 174.900 0.026 0.000 1.253 467 G CA -0.450 44.682 45.100 0.053 0.000 0.974 467 G HN 0.583 nan 8.290 nan 0.000 0.483 468 L N -0.038 121.196 121.223 0.019 0.000 2.472 468 L HA 0.694 5.034 4.340 0.000 0.000 0.260 468 L C -1.191 175.689 176.870 0.017 0.000 0.963 468 L CA -0.604 54.243 54.840 0.012 0.000 0.829 468 L CB 2.548 44.597 42.059 -0.016 0.000 1.348 468 L HN 0.375 nan 8.230 nan 0.000 0.408 469 V N 4.273 124.201 119.914 0.024 0.000 2.407 469 V HA 0.557 4.677 4.120 0.000 0.000 0.291 469 V C -0.495 175.617 176.094 0.030 0.000 1.018 469 V CA -0.652 61.657 62.300 0.016 0.000 0.842 469 V CB 1.561 33.385 31.823 0.002 0.000 0.996 469 V HN 0.702 nan 8.190 nan 0.000 0.426 470 K N 3.254 123.668 120.400 0.024 0.000 2.397 470 K HA 0.690 5.010 4.320 0.000 0.000 0.253 470 K C -1.167 175.444 176.600 0.017 0.000 0.932 470 K CA -0.630 55.679 56.287 0.037 0.000 0.795 470 K CB 2.063 34.581 32.500 0.030 0.000 1.159 470 K HN 0.654 nan 8.250 nan 0.000 0.424 471 E N 2.752 122.964 120.200 0.020 0.000 2.580 471 E HA 0.349 4.699 4.350 0.000 0.000 0.248 471 E C 0.107 176.713 176.600 0.011 0.000 1.018 471 E CA 0.505 56.910 56.400 0.007 0.000 0.775 471 E CB 0.913 30.612 29.700 -0.001 0.000 1.378 471 E HN 0.850 nan 8.360 nan 0.000 0.401 472 G N 4.540 113.345 108.800 0.009 0.000 4.269 472 G HA2 -0.376 3.584 3.960 0.000 0.000 0.290 472 G HA3 -0.376 3.584 3.960 0.000 0.000 0.290 472 G C 0.657 175.569 174.900 0.020 0.000 1.570 472 G CA 0.633 45.739 45.100 0.008 0.000 1.072 472 G HN 0.625 nan 8.290 nan 0.000 0.681 473 D N 0.882 121.304 120.400 0.036 0.000 2.448 473 D HA 0.141 4.781 4.640 0.000 0.000 0.256 473 D C 0.540 176.922 176.300 0.137 0.000 1.108 473 D CA 0.301 54.343 54.000 0.070 0.000 0.848 473 D CB -0.716 40.114 40.800 0.050 0.000 1.281 473 D HN 0.587 nan 8.370 nan 0.000 0.509 474 N N 0.436 119.181 118.700 0.074 0.000 2.497 474 N HA 0.335 5.075 4.740 0.000 0.000 0.268 474 N C -1.001 174.566 175.510 0.095 0.000 1.171 474 N CA -0.248 52.819 53.050 0.028 0.000 0.948 474 N CB 0.418 38.889 38.487 -0.026 0.000 1.069 474 N HN 0.255 nan 8.380 nan 0.000 0.460 475 Y N -1.399 118.879 120.300 -0.037 0.000 2.457 475 Y HA 0.717 5.267 4.550 0.000 0.000 0.343 475 Y C -1.433 174.442 175.900 -0.041 0.000 0.994 475 Y CA -1.333 56.741 58.100 -0.043 0.000 1.031 475 Y CB 0.823 39.251 38.460 -0.054 0.000 1.246 475 Y HN 0.096 nan 8.280 nan 0.000 0.449 476 V N 4.174 124.119 119.914 0.051 0.000 2.531 476 V HA 0.458 4.578 4.120 0.000 0.000 0.301 476 V C -0.615 175.511 176.094 0.053 0.000 1.034 476 V CA -0.969 61.329 62.300 -0.004 0.000 0.865 476 V CB 1.591 33.396 31.823 -0.030 0.000 0.995 476 V HN 0.756 nan 8.190 nan 0.000 0.424 477 V N 6.528 126.474 119.914 0.053 0.000 2.406 477 V HA 0.424 4.544 4.120 0.000 0.000 0.272 477 V C -0.251 175.855 176.094 0.020 0.000 1.043 477 V CA -0.343 61.980 62.300 0.039 0.000 0.915 477 V CB 1.157 33.004 31.823 0.039 0.000 0.988 477 V HN 0.611 nan 8.190 nan 0.000 0.466 478 L N 4.344 125.581 121.223 0.023 0.000 2.307 478 L HA 0.516 4.856 4.340 0.000 0.000 0.284 478 L C 0.412 177.304 176.870 0.036 0.000 1.023 478 L CA 0.324 55.179 54.840 0.026 0.000 0.810 478 L CB 1.873 43.949 42.059 0.029 0.000 1.231 478 L HN 0.558 nan 8.230 nan 0.000 0.423 479 S N 1.337 117.056 115.700 0.032 0.000 2.480 479 S HA 0.292 4.763 4.470 0.000 0.000 0.286 479 S C -0.473 174.154 174.600 0.044 0.000 1.180 479 S CA -0.410 57.813 58.200 0.039 0.000 1.075 479 S CB 0.768 63.982 63.200 0.024 0.000 0.996 479 S HN 0.731 nan 8.310 nan 0.000 0.487 480 D N 1.685 122.118 120.400 0.056 0.000 3.278 480 D HA -0.174 4.466 4.640 0.000 0.000 0.233 480 D C -0.340 175.999 176.300 0.065 0.000 1.149 480 D CA 0.288 54.326 54.000 0.063 0.000 0.957 480 D CB -1.276 39.565 40.800 0.068 0.000 0.913 480 D HN 0.474 nan 8.370 nan 0.000 0.409 481 I N -0.771 119.839 120.570 0.067 0.000 2.720 481 I HA 0.354 4.524 4.170 0.000 0.000 0.287 481 I C 1.052 177.222 176.117 0.090 0.000 1.090 481 I CA -0.591 60.754 61.300 0.074 0.000 1.384 481 I CB 0.432 38.475 38.000 0.072 0.000 1.420 481 I HN 0.178 nan 8.210 nan 0.000 0.575 482 L N 2.902 124.187 121.223 0.104 0.000 2.543 482 L HA 0.428 4.768 4.340 0.000 0.000 0.231 482 L C 1.887 178.854 176.870 0.163 0.000 1.194 482 L CA 0.058 54.975 54.840 0.127 0.000 0.823 482 L CB 0.176 42.315 42.059 0.134 0.000 1.374 482 L HN 0.905 nan 8.230 nan 0.000 0.507 483 G N -1.217 107.698 108.800 0.192 0.000 2.408 483 G HA2 -0.185 3.775 3.960 0.000 0.000 0.217 483 G HA3 -0.185 3.775 3.960 0.000 0.000 0.217 483 G C 0.937 176.023 174.900 0.309 0.000 1.150 483 G CA 0.462 45.711 45.100 0.248 0.000 0.776 483 G HN 0.657 nan 8.290 nan 0.000 0.542 484 D N 0.431 120.989 120.400 0.263 0.000 2.194 484 D HA 0.005 4.645 4.640 0.000 0.000 0.204 484 D C 2.351 178.760 176.300 0.182 0.000 0.964 484 D CA 0.523 54.655 54.000 0.220 0.000 0.846 484 D CB -0.067 40.875 40.800 0.238 0.000 0.962 484 D HN 0.425 nan 8.370 nan 0.000 0.490 485 E N 0.287 120.582 120.200 0.159 0.000 2.274 485 E HA -0.125 4.225 4.350 0.000 0.000 0.194 485 E C 1.256 177.925 176.600 0.114 0.000 0.996 485 E CA 0.516 56.980 56.400 0.107 0.000 0.840 485 E CB 0.230 29.982 29.700 0.087 0.000 0.772 485 E HN 0.129 nan 8.360 nan 0.000 0.491 486 D N 0.022 120.519 120.400 0.162 0.000 2.162 486 D HA -0.110 4.530 4.640 0.000 0.000 0.203 486 D C 1.566 177.914 176.300 0.079 0.000 0.967 486 D CA 1.143 55.208 54.000 0.108 0.000 0.840 486 D CB 0.157 41.015 40.800 0.097 0.000 0.972 486 D HN 0.187 nan 8.370 nan 0.000 0.482 487 H N -0.490 118.633 119.070 0.089 0.000 2.333 487 H HA 0.182 4.738 4.556 0.000 0.000 0.302 487 H C 1.523 176.900 175.328 0.083 0.000 1.075 487 H CA 0.995 57.107 56.048 0.107 0.000 1.348 487 H CB 0.017 29.871 29.762 0.152 0.000 1.393 487 H HN 0.110 nan 8.280 nan 0.000 0.509 488 L N 0.098 121.421 121.223 0.167 0.000 2.628 488 L HA 0.252 4.592 4.340 0.000 0.000 0.229 488 L C 1.557 178.441 176.870 0.024 0.000 1.137 488 L CA -0.109 54.760 54.840 0.049 0.000 0.909 488 L CB 0.098 42.123 42.059 -0.056 0.000 1.137 488 L HN 0.223 nan 8.230 nan 0.000 0.470 489 G N -0.379 108.448 108.800 0.045 0.000 2.928 489 G HA2 0.079 4.039 3.960 0.000 0.000 0.163 489 G HA3 0.079 4.039 3.960 0.000 0.000 0.163 489 G C 0.196 175.108 174.900 0.021 0.000 1.573 489 G CA 0.140 45.257 45.100 0.028 0.000 1.084 489 G HN 0.081 nan 8.290 nan 0.000 0.569 490 D N -1.403 119.007 120.400 0.017 0.000 2.218 490 D HA 0.138 4.778 4.640 0.000 0.000 0.307 490 D C 0.731 177.036 176.300 0.007 0.000 1.086 490 D CA 0.454 54.458 54.000 0.008 0.000 0.886 490 D CB 0.831 41.630 40.800 -0.002 0.000 1.645 490 D HN 0.466 nan 8.370 nan 0.000 0.523 491 M N -0.352 119.258 119.600 0.017 0.000 2.578 491 M HA 0.523 5.003 4.480 0.000 0.000 0.276 491 M C -2.090 174.242 176.300 0.053 0.000 1.245 491 M CA -0.804 54.515 55.300 0.031 0.000 0.871 491 M CB 3.209 35.830 32.600 0.034 0.000 1.722 491 M HN -0.338 nan 8.290 nan 0.000 0.473 492 D N 1.719 122.155 120.400 0.059 0.000 2.461 492 D HA 0.421 5.061 4.640 0.000 0.000 0.240 492 D C -2.053 174.307 176.300 0.100 0.000 1.094 492 D CA -0.110 53.924 54.000 0.057 0.000 0.868 492 D CB 0.765 41.565 40.800 0.000 0.000 1.062 492 D HN 0.544 nan 8.370 nan 0.000 0.530 493 F N 4.017 123.946 119.950 -0.035 0.000 2.329 493 F HA 0.373 4.900 4.527 0.000 0.000 0.362 493 F C -0.026 175.749 175.800 -0.041 0.000 1.113 493 F CA -0.788 57.189 58.000 -0.038 0.000 1.212 493 F CB 0.248 39.229 39.000 -0.032 0.000 1.509 493 F HN 0.038 nan 8.300 nan 0.000 0.546 494 K N 4.161 124.370 120.400 -0.318 0.000 2.234 494 K HA 0.577 4.897 4.320 0.000 0.000 0.282 494 K C -1.077 175.291 176.600 -0.386 0.000 1.039 494 K CA -0.548 55.576 56.287 -0.272 0.000 0.928 494 K CB 1.778 34.148 32.500 -0.216 0.000 1.039 494 K HN 0.280 nan 8.250 nan 0.000 0.470 495 V N 1.993 121.763 119.914 -0.240 0.000 2.525 495 V HA 0.565 4.685 4.120 0.000 0.000 0.299 495 V C -0.933 175.083 176.094 -0.130 0.000 1.034 495 V CA -0.916 61.264 62.300 -0.201 0.000 0.863 495 V CB 1.653 33.403 31.823 -0.121 0.000 0.999 495 V HN 0.885 nan 8.190 nan 0.000 0.423 496 A N 3.297 126.038 122.820 -0.132 0.000 2.374 496 A HA 1.045 5.365 4.320 0.000 0.000 0.305 496 A C -0.028 177.499 177.584 -0.094 0.000 1.053 496 A CA 0.091 52.061 52.037 -0.111 0.000 0.726 496 A CB 1.891 20.812 19.000 -0.132 0.000 1.229 496 A HN 1.510 nan 8.150 nan 0.000 0.431 497 G N -0.307 108.449 108.800 -0.073 0.000 2.430 497 G HA2 0.548 4.508 3.960 0.000 0.000 0.300 497 G HA3 0.548 4.508 3.960 0.000 0.000 0.300 497 G C -0.356 174.516 174.900 -0.046 0.000 1.330 497 G CA 0.394 45.457 45.100 -0.062 0.000 0.813 497 G HN 1.111 nan 8.290 nan 0.000 0.487 498 S N -1.589 114.087 115.700 -0.040 0.000 2.566 498 S HA 0.394 4.864 4.470 0.000 0.000 0.277 498 S C 1.793 176.382 174.600 -0.018 0.000 1.150 498 S CA 0.053 58.236 58.200 -0.029 0.000 1.032 498 S CB 1.196 64.377 63.200 -0.032 0.000 1.157 498 S HN 0.675 nan 8.310 nan 0.000 0.507 499 R N -0.165 120.328 120.500 -0.012 0.000 2.115 499 R HA -0.033 4.307 4.340 0.000 0.000 0.230 499 R C 0.778 177.075 176.300 -0.004 0.000 1.111 499 R CA 1.914 58.012 56.100 -0.003 0.000 0.976 499 R CB -0.209 30.090 30.300 -0.001 0.000 0.870 499 R HN 0.565 nan 8.270 nan 0.000 0.445 500 D N -1.289 119.104 120.400 -0.011 0.000 2.323 500 D HA 0.119 4.759 4.640 0.000 0.000 0.218 500 D C 0.635 176.924 176.300 -0.018 0.000 0.973 500 D CA 1.005 54.998 54.000 -0.012 0.000 0.890 500 D CB 0.541 41.333 40.800 -0.013 0.000 1.011 500 D HN 0.323 nan 8.370 nan 0.000 0.499 501 G N -0.110 108.675 108.800 -0.026 0.000 2.816 501 G HA2 0.642 4.602 3.960 0.000 0.000 0.288 501 G HA3 0.642 4.602 3.960 0.000 0.000 0.288 501 G C -1.065 173.810 174.900 -0.043 0.000 1.334 501 G CA -0.637 44.441 45.100 -0.037 0.000 0.978 501 G HN -0.031 nan 8.290 nan 0.000 0.493 502 I N 1.002 121.540 120.570 -0.054 0.000 2.354 502 I HA 0.221 4.391 4.170 0.000 0.000 0.292 502 I C 1.272 177.344 176.117 -0.076 0.000 0.989 502 I CA -0.579 60.684 61.300 -0.063 0.000 1.188 502 I CB 2.247 40.210 38.000 -0.062 0.000 1.342 502 I HN 0.599 nan 8.210 nan 0.000 0.457 503 S N 4.240 119.891 115.700 -0.082 0.000 2.427 503 S HA 0.385 4.855 4.470 0.000 0.000 0.224 503 S C 0.721 175.262 174.600 -0.099 0.000 1.047 503 S CA 0.159 58.305 58.200 -0.090 0.000 0.953 503 S CB 0.305 63.449 63.200 -0.094 0.000 0.824 503 S HN 0.690 nan 8.310 nan 0.000 0.502 504 A N 0.576 123.328 122.820 -0.113 0.000 2.475 504 A HA 0.815 5.136 4.320 0.000 0.000 0.301 504 A C -1.539 175.952 177.584 -0.156 0.000 1.059 504 A CA -0.704 51.256 52.037 -0.128 0.000 0.710 504 A CB 1.707 20.623 19.000 -0.140 0.000 1.288 504 A HN 0.673 nan 8.150 nan 0.000 0.408 505 L N 0.801 121.922 121.223 -0.170 0.000 2.516 505 L HA 0.584 4.924 4.340 0.000 0.000 0.267 505 L C -0.768 175.961 176.870 -0.235 0.000 0.957 505 L CA 0.059 54.753 54.840 -0.244 0.000 0.860 505 L CB 1.983 43.902 42.059 -0.234 0.000 1.265 505 L HN 0.846 nan 8.230 nan 0.000 0.403 506 Q N 5.046 124.676 119.800 -0.284 0.000 2.312 506 Q HA 0.681 5.021 4.340 0.000 0.000 0.263 506 Q C -1.592 174.259 176.000 -0.248 0.000 0.995 506 Q CA -0.666 55.010 55.803 -0.213 0.000 0.853 506 Q CB 1.953 30.593 28.738 -0.164 0.000 1.300 506 Q HN 0.813 nan 8.270 nan 0.000 0.448 507 M N 3.951 123.475 119.600 -0.128 0.000 2.326 507 M HA 0.343 4.823 4.480 0.000 0.000 0.292 507 M C -2.190 174.115 176.300 0.008 0.000 1.081 507 M CA -0.519 54.766 55.300 -0.024 0.000 0.919 507 M CB 1.868 34.499 32.600 0.052 0.000 1.634 507 M HN 0.746 nan 8.290 nan 0.000 0.451 508 D N 5.484 125.904 120.400 0.034 0.000 2.319 508 D HA 0.313 4.953 4.640 0.000 0.000 0.237 508 D C -1.301 175.014 176.300 0.024 0.000 1.353 508 D CA -0.331 53.681 54.000 0.020 0.000 0.992 508 D CB 0.120 40.924 40.800 0.006 0.000 1.368 508 D HN 0.377 nan 8.370 nan 0.000 0.564 509 I N 1.435 122.014 120.570 0.016 0.000 2.395 509 I HA 0.240 4.410 4.170 0.000 0.000 0.289 509 I C 1.857 177.968 176.117 -0.010 0.000 1.023 509 I CA -0.482 60.819 61.300 0.001 0.000 1.350 509 I CB 1.568 39.557 38.000 -0.019 0.000 1.409 509 I HN 0.333 nan 8.210 nan 0.000 0.507 510 K N 5.477 125.872 120.400 -0.007 0.000 2.365 510 K HA 0.131 4.451 4.320 0.000 0.000 0.197 510 K C 0.112 176.698 176.600 -0.024 0.000 1.042 510 K CA 0.656 56.939 56.287 -0.008 0.000 0.987 510 K CB 0.192 32.696 32.500 0.006 0.000 0.779 510 K HN 0.690 nan 8.250 nan 0.000 0.484 511 I N -1.238 119.314 120.570 -0.031 0.000 2.608 511 I HA 0.359 4.529 4.170 0.000 0.000 0.295 511 I C -0.919 175.164 176.117 -0.056 0.000 1.049 511 I CA -0.966 60.309 61.300 -0.043 0.000 1.063 511 I CB 2.031 40.013 38.000 -0.031 0.000 1.248 511 I HN -0.116 nan 8.210 nan 0.000 0.424 512 E N 3.108 123.267 120.200 -0.068 0.000 2.371 512 E HA 0.592 4.942 4.350 0.000 0.000 0.257 512 E C 0.662 177.223 176.600 -0.066 0.000 1.134 512 E CA -0.130 56.226 56.400 -0.073 0.000 0.919 512 E CB 0.547 30.197 29.700 -0.083 0.000 1.025 512 E HN 1.168 nan 8.360 nan 0.000 0.438 513 G N 1.056 109.813 108.800 -0.071 0.000 2.154 513 G HA2 -0.236 3.724 3.960 0.000 0.000 0.186 513 G HA3 -0.236 3.724 3.960 0.000 0.000 0.186 513 G C 0.096 174.941 174.900 -0.092 0.000 1.000 513 G CA -0.322 44.736 45.100 -0.070 0.000 0.664 513 G HN 0.528 nan 8.290 nan 0.000 0.513 514 I N 2.374 122.879 120.570 -0.108 0.000 2.710 514 I HA 0.376 4.546 4.170 0.000 0.000 0.286 514 I C 0.515 176.538 176.117 -0.157 0.000 1.181 514 I CA 0.698 61.915 61.300 -0.139 0.000 1.430 514 I CB 0.626 38.542 38.000 -0.141 0.000 1.367 514 I HN 0.179 nan 8.210 nan 0.000 0.577 515 T N 6.850 121.293 114.554 -0.185 0.000 2.918 515 T HA 0.199 4.549 4.350 0.000 0.000 0.286 515 T C 0.806 175.394 174.700 -0.186 0.000 1.026 515 T CA -0.822 61.171 62.100 -0.179 0.000 1.031 515 T CB 1.977 70.728 68.868 -0.195 0.000 1.046 515 T HN 0.622 nan 8.240 nan 0.000 0.479 516 K N 0.945 121.258 120.400 -0.144 0.000 2.211 516 K HA -0.119 4.201 4.320 0.000 0.000 0.203 516 K C 2.022 178.544 176.600 -0.130 0.000 1.050 516 K CA 1.227 57.443 56.287 -0.119 0.000 0.945 516 K CB 0.089 32.544 32.500 -0.074 0.000 0.732 516 K HN 0.743 nan 8.250 nan 0.000 0.451 517 E N 0.760 120.870 120.200 -0.150 0.000 2.077 517 E HA -0.195 4.155 4.350 0.000 0.000 0.193 517 E C 1.923 178.380 176.600 -0.238 0.000 0.989 517 E CA 1.534 57.840 56.400 -0.157 0.000 0.800 517 E CB -0.141 29.471 29.700 -0.146 0.000 0.746 517 E HN 0.480 nan 8.360 nan 0.000 0.452 518 I N -1.993 118.350 120.570 -0.379 0.000 2.761 518 I HA -0.053 4.117 4.170 0.000 0.000 0.261 518 I C 2.182 178.092 176.117 -0.344 0.000 1.198 518 I CA 0.909 61.918 61.300 -0.486 0.000 1.482 518 I CB -0.119 37.456 38.000 -0.710 0.000 1.100 518 I HN 0.034 nan 8.210 nan 0.000 0.445 519 M N 0.085 119.510 119.600 -0.293 0.000 2.254 519 M HA -0.125 4.356 4.480 0.000 0.000 0.265 519 M C 2.269 178.449 176.300 -0.201 0.000 1.066 519 M CA 1.464 56.586 55.300 -0.296 0.000 1.123 519 M CB -0.158 32.333 32.600 -0.182 0.000 1.388 519 M HN 0.355 nan 8.290 nan 0.000 0.425 520 Q N 0.132 119.853 119.800 -0.132 0.000 2.172 520 Q HA -0.081 4.259 4.340 0.000 0.000 0.200 520 Q C 1.613 177.579 176.000 -0.057 0.000 0.964 520 Q CA 1.475 57.239 55.803 -0.066 0.000 0.855 520 Q CB -0.107 28.605 28.738 -0.044 0.000 0.918 520 Q HN 0.363 nan 8.270 nan 0.000 0.444 521 V N 0.299 120.164 119.914 -0.081 0.000 2.407 521 V HA -0.094 4.027 4.120 0.000 0.000 0.245 521 V C 2.218 178.274 176.094 -0.064 0.000 1.041 521 V CA 1.488 63.766 62.300 -0.036 0.000 1.040 521 V CB -1.118 30.724 31.823 0.031 0.000 0.671 521 V HN 0.451 nan 8.190 nan 0.000 0.455 522 A N -0.302 122.411 122.820 -0.177 0.000 1.969 522 A HA -0.135 4.185 4.320 0.000 0.000 0.218 522 A C 2.111 179.639 177.584 -0.093 0.000 1.169 522 A CA 1.708 53.592 52.037 -0.254 0.000 0.635 522 A CB -0.424 18.179 19.000 -0.662 0.000 0.810 522 A HN 0.437 nan 8.150 nan 0.000 0.445 523 L N -0.221 120.985 121.223 -0.028 0.000 2.270 523 L HA 0.042 4.382 4.340 0.000 0.000 0.210 523 L C 1.863 178.791 176.870 0.096 0.000 1.104 523 L CA 1.673 56.621 54.840 0.180 0.000 0.804 523 L CB -0.504 41.669 42.059 0.190 0.000 0.937 523 L HN 0.441 nan 8.230 nan 0.000 0.450 524 N N -0.708 118.017 118.700 0.042 0.000 2.250 524 N HA -0.165 4.575 4.740 0.000 0.000 0.181 524 N C 1.758 177.291 175.510 0.038 0.000 1.017 524 N CA 1.309 54.379 53.050 0.035 0.000 0.866 524 N CB 0.043 38.542 38.487 0.020 0.000 0.985 524 N HN 0.436 nan 8.380 nan 0.000 0.429 525 Q N -0.736 119.086 119.800 0.036 0.000 2.297 525 Q HA 0.104 4.444 4.340 0.000 0.000 0.204 525 Q C 1.782 177.816 176.000 0.056 0.000 0.962 525 Q CA 1.049 56.874 55.803 0.038 0.000 0.879 525 Q CB -0.012 28.743 28.738 0.028 0.000 0.947 525 Q HN 0.452 nan 8.270 nan 0.000 0.462 526 A N 1.332 124.203 122.820 0.085 0.000 2.014 526 A HA -0.158 4.162 4.320 0.000 0.000 0.218 526 A C 1.990 179.614 177.584 0.066 0.000 1.163 526 A CA 1.069 53.164 52.037 0.097 0.000 0.652 526 A CB -0.224 18.871 19.000 0.158 0.000 0.808 526 A HN 0.135 nan 8.150 nan 0.000 0.449 527 K N -0.425 120.010 120.400 0.058 0.000 2.025 527 K HA -0.092 4.228 4.320 0.000 0.000 0.207 527 K C 2.044 178.671 176.600 0.046 0.000 1.049 527 K CA 1.328 57.641 56.287 0.043 0.000 0.933 527 K CB -0.470 32.052 32.500 0.037 0.000 0.714 527 K HN 0.382 nan 8.250 nan 0.000 0.438 528 G N 0.291 109.119 108.800 0.046 0.000 2.408 528 G HA2 -0.199 3.761 3.960 0.000 0.000 0.217 528 G HA3 -0.199 3.761 3.960 0.000 0.000 0.217 528 G C 1.514 176.453 174.900 0.066 0.000 1.150 528 G CA 0.845 45.974 45.100 0.048 0.000 0.776 528 G HN 0.425 nan 8.290 nan 0.000 0.542 529 A N 0.357 123.214 122.820 0.061 0.000 1.970 529 A HA 0.152 4.472 4.320 0.000 0.000 0.216 529 A C 2.277 179.931 177.584 0.116 0.000 1.170 529 A CA 1.493 53.577 52.037 0.078 0.000 0.645 529 A CB -0.329 18.706 19.000 0.058 0.000 0.816 529 A HN 0.327 nan 8.150 nan 0.000 0.447 530 R N -0.363 120.186 120.500 0.081 0.000 2.092 530 R HA 0.020 4.360 4.340 0.000 0.000 0.231 530 R C 1.721 178.064 176.300 0.072 0.000 1.119 530 R CA 1.158 57.296 56.100 0.063 0.000 0.970 530 R CB -0.326 29.993 30.300 0.031 0.000 0.864 530 R HN 0.514 nan 8.270 nan 0.000 0.440 531 L N -0.884 120.386 121.223 0.078 0.000 2.275 531 L HA -0.133 4.208 4.340 0.000 0.000 0.215 531 L C 2.267 179.193 176.870 0.094 0.000 1.119 531 L CA 1.119 56.001 54.840 0.070 0.000 0.790 531 L CB -0.405 41.691 42.059 0.061 0.000 0.919 531 L HN 0.329 nan 8.230 nan 0.000 0.443 532 H N 0.169 119.263 119.070 0.040 0.000 2.333 532 H HA -0.115 4.441 4.556 0.000 0.000 0.302 532 H C 2.121 177.489 175.328 0.066 0.000 1.075 532 H CA 1.690 57.767 56.048 0.047 0.000 1.348 532 H CB 0.183 29.973 29.762 0.047 0.000 1.393 532 H HN 0.078 nan 8.280 nan 0.000 0.509 533 I N 0.132 120.770 120.570 0.114 0.000 2.315 533 I HA -0.211 3.959 4.170 0.000 0.000 0.248 533 I C 2.244 178.401 176.117 0.066 0.000 1.117 533 I CA 0.865 62.234 61.300 0.115 0.000 1.404 533 I CB -0.309 37.814 38.000 0.205 0.000 1.071 533 I HN 0.291 nan 8.210 nan 0.000 0.419 534 L N -0.139 121.109 121.223 0.042 0.000 2.131 534 L HA -0.157 4.183 4.340 0.000 0.000 0.210 534 L C 2.542 179.413 176.870 0.002 0.000 1.092 534 L CA 1.463 56.318 54.840 0.025 0.000 0.759 534 L CB -1.112 40.957 42.059 0.018 0.000 0.903 534 L HN 0.377 nan 8.230 nan 0.000 0.435 535 G N -0.703 108.077 108.800 -0.033 0.000 2.408 535 G HA2 -0.160 3.800 3.960 0.000 0.000 0.217 535 G HA3 -0.160 3.800 3.960 0.000 0.000 0.217 535 G C 1.522 176.383 174.900 -0.066 0.000 1.150 535 G CA 0.869 45.936 45.100 -0.055 0.000 0.776 535 G HN 0.232 nan 8.290 nan 0.000 0.542 536 V N 0.752 120.610 119.914 -0.092 0.000 2.591 536 V HA -0.061 4.059 4.120 0.000 0.000 0.249 536 V C 2.778 178.872 176.094 0.001 0.000 1.053 536 V CA 1.535 63.795 62.300 -0.066 0.000 1.068 536 V CB -0.347 31.420 31.823 -0.094 0.000 0.689 536 V HN 0.331 nan 8.190 nan 0.000 0.462 537 M N -0.336 119.292 119.600 0.047 0.000 2.229 537 M HA -0.153 4.327 4.480 0.000 0.000 0.264 537 M C 2.122 178.446 176.300 0.040 0.000 1.063 537 M CA 1.651 56.998 55.300 0.079 0.000 1.114 537 M CB -0.352 32.311 32.600 0.105 0.000 1.387 537 M HN 0.371 nan 8.290 nan 0.000 0.420 538 E N -0.066 120.144 120.200 0.018 0.000 2.274 538 E HA -0.174 4.176 4.350 0.000 0.000 0.194 538 E C 1.921 178.524 176.600 0.004 0.000 0.996 538 E CA 0.726 57.132 56.400 0.009 0.000 0.840 538 E CB -0.032 29.669 29.700 0.002 0.000 0.772 538 E HN 0.603 nan 8.360 nan 0.000 0.491 539 Q N 0.149 119.948 119.800 -0.001 0.000 2.224 539 Q HA -0.088 4.252 4.340 0.000 0.000 0.203 539 Q C 2.026 178.026 176.000 0.000 0.000 0.970 539 Q CA 1.109 56.909 55.803 -0.005 0.000 0.865 539 Q CB 0.027 28.756 28.738 -0.015 0.000 0.922 539 Q HN 0.208 nan 8.270 nan 0.000 0.445 540 A N 0.930 123.755 122.820 0.008 0.000 1.843 540 A HA 0.277 4.597 4.320 0.000 0.000 0.213 540 A C 1.103 178.695 177.584 0.014 0.000 1.239 540 A CA 1.331 53.376 52.037 0.012 0.000 0.606 540 A CB -0.401 18.613 19.000 0.023 0.000 0.903 540 A HN 0.280 nan 8.150 nan 0.000 0.455 541 I N -1.657 118.925 120.570 0.019 0.000 2.828 541 I HA 0.670 4.840 4.170 0.000 0.000 0.302 541 I C 0.204 176.328 176.117 0.012 0.000 1.101 541 I CA -0.773 60.536 61.300 0.015 0.000 1.031 541 I CB 1.467 39.477 38.000 0.017 0.000 1.231 541 I HN 0.278 nan 8.210 nan 0.000 0.427 542 N N 2.063 120.767 118.700 0.007 0.000 2.684 542 N HA 0.436 5.176 4.740 0.000 0.000 0.220 542 N C 0.663 176.174 175.510 0.001 0.000 1.037 542 N CA 1.353 54.406 53.050 0.004 0.000 0.975 542 N CB 0.999 39.487 38.487 0.003 0.000 1.426 542 N HN 1.022 nan 8.380 nan 0.000 0.450 543 A N 2.711 125.530 122.820 -0.001 0.000 2.330 543 A HA 0.622 4.942 4.320 0.000 0.000 0.327 543 A C -2.065 175.514 177.584 -0.008 0.000 1.155 543 A CA -1.066 50.968 52.037 -0.005 0.000 0.803 543 A CB 0.674 19.672 19.000 -0.004 0.000 1.208 543 A HN 0.036 nan 8.150 nan 0.000 0.477 544 P HA 0.000 nan 4.420 nan 0.000 0.216 544 P CA 0.000 63.084 63.100 -0.026 0.000 0.800 544 P CB 0.000 31.669 31.700 -0.051 0.000 0.726