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 1uzh_1_V DATA FIRST_RESID 7 DATA SEQUENCE TKAGAGFKAG VKDYRLTYYT PDYVVRDTDI LAAFRMTPQP GVPPEECGAA DATA SEQUENCE VAAESSTGTW TTVWTDGLTS LDRYKGRCYD IEPVPGEDNQ YIAYVAYXID DATA SEQUENCE LFEEGSVTNM FTSIVGNVFG FKALRALRLE DLRIPPAYVK TFVGXPHGIQ DATA SEQUENCE VERDKLNKYG RGLLGCTIKP KLGLSAKNYG RAVYECLRGG LDFTXDDENV DATA SEQUENCE NSQPFMRWRD RFLFVAEAIY KAQAETGEVK GHYLNATAGT CEEMMKRAVX DATA SEQUENCE AKELGVPIIM HDYLTGGFTA NTSLAIYCRD NGLLLHIHRA MHAVIDRQRN DATA SEQUENCE HGIHFRVLAK ALRMSGGDHL HSGTVVGKLE GEREVTLGFV DLMRDDYVEK DATA SEQUENCE DRSRGIYFTQ DWXSMPGVMP VASGGIHVWH MPALVEIFGD DACLQFGGGT DATA SEQUENCE LGHPWGNAPG AAANRVALEA CTQARNEGRD LAREGGDVIR SAcKWSPELA DATA SEQUENCE AAcEVWKEIK FEFDTIDKL 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.700 174.700 0.000 0.000 1.109 7 T CA 0.000 62.100 62.100 0.000 0.000 1.349 7 T CB 0.000 68.868 68.868 -0.000 0.000 0.612 8 K N 2.443 122.843 120.400 0.000 0.000 2.326 8 K HA 0.729 5.049 4.320 -0.000 0.000 0.275 8 K C 0.692 177.293 176.600 0.002 0.000 1.018 8 K CA 0.320 56.607 56.287 -0.000 0.000 0.962 8 K CB 0.696 33.195 32.500 -0.001 0.000 0.953 8 K HN 0.523 nan 8.250 nan 0.000 0.475 9 A N 3.026 125.847 122.820 0.002 0.000 2.498 9 A HA 0.367 4.687 4.320 -0.000 0.000 0.239 9 A C 0.581 178.168 177.584 0.006 0.000 1.068 9 A CA 0.290 52.330 52.037 0.005 0.000 0.766 9 A CB 0.088 19.091 19.000 0.005 0.000 1.003 9 A HN 0.849 nan 8.150 nan 0.000 0.497 10 G N -0.077 108.729 108.800 0.011 0.000 2.525 10 G HA2 0.557 4.517 3.960 -0.000 0.000 0.287 10 G HA3 0.557 4.517 3.960 -0.000 0.000 0.287 10 G C 0.454 175.364 174.900 0.017 0.000 1.350 10 G CA -0.114 44.993 45.100 0.012 0.000 1.039 10 G HN 1.635 nan 8.290 nan 0.000 0.513 11 A N -0.508 122.323 122.820 0.018 0.000 2.526 11 A HA 0.533 4.853 4.320 -0.000 0.000 0.267 11 A C 0.938 178.550 177.584 0.047 0.000 1.095 11 A CA 0.605 52.657 52.037 0.025 0.000 0.775 11 A CB -0.580 18.431 19.000 0.020 0.000 1.036 11 A HN 1.214 nan 8.150 nan 0.000 0.510 12 G N 0.752 109.585 108.800 0.055 0.000 2.795 12 G HA2 0.523 4.483 3.960 -0.000 0.000 0.267 12 G HA3 0.523 4.483 3.960 -0.000 0.000 0.267 12 G C -0.582 174.414 174.900 0.161 0.000 1.362 12 G CA -0.706 44.452 45.100 0.097 0.000 1.048 12 G HN 0.723 nan 8.290 nan 0.000 0.547 13 F N 1.005 120.976 119.950 0.036 0.000 2.424 13 F HA 0.537 5.064 4.527 -0.000 0.000 0.356 13 F C 0.315 176.131 175.800 0.026 0.000 1.110 13 F CA -1.049 56.983 58.000 0.053 0.000 1.161 13 F CB 0.945 40.005 39.000 0.101 0.000 1.115 13 F HN 0.177 nan 8.300 nan 0.000 0.507 14 K N 6.220 126.381 120.400 -0.399 0.000 2.425 14 K HA 0.662 4.982 4.320 -0.000 0.000 0.259 14 K C -0.803 175.391 176.600 -0.676 0.000 0.978 14 K CA -0.717 55.252 56.287 -0.529 0.000 0.883 14 K CB 1.095 33.465 32.500 -0.217 0.000 1.110 14 K HN 0.808 nan 8.250 nan 0.000 0.436 15 A N 2.745 125.036 122.820 -0.882 0.000 2.445 15 A HA 0.609 4.929 4.320 -0.000 0.000 0.242 15 A C 0.438 177.892 177.584 -0.217 0.000 1.075 15 A CA 0.847 52.593 52.037 -0.484 0.000 0.777 15 A CB 0.113 18.924 19.000 -0.315 0.000 1.013 15 A HN 1.004 nan 8.150 nan 0.000 0.493 16 G N -0.653 108.068 108.800 -0.132 0.000 2.355 16 G HA2 0.327 4.287 3.960 -0.000 0.000 0.619 16 G HA3 0.327 4.287 3.960 -0.000 0.000 0.619 16 G C -0.928 173.904 174.900 -0.114 0.000 1.337 16 G CA -0.447 44.593 45.100 -0.101 0.000 0.993 16 G HN 1.386 nan 8.290 nan 0.000 0.599 17 V N 1.565 121.439 119.914 -0.067 0.000 2.546 17 V HA 0.631 4.751 4.120 -0.000 0.000 0.284 17 V C 0.732 176.791 176.094 -0.057 0.000 1.050 17 V CA 0.674 62.938 62.300 -0.059 0.000 0.981 17 V CB 1.104 32.964 31.823 0.061 0.000 0.990 17 V HN 1.062 nan 8.190 nan 0.000 0.474 18 K N 1.898 122.244 120.400 -0.089 0.000 2.439 18 K HA 0.614 4.934 4.320 -0.000 0.000 0.260 18 K C -1.437 175.102 176.600 -0.102 0.000 1.032 18 K CA -1.098 55.149 56.287 -0.067 0.000 0.882 18 K CB 1.568 34.039 32.500 -0.048 0.000 1.420 18 K HN 0.320 nan 8.250 nan 0.000 0.455 19 D N 0.919 121.292 120.400 -0.045 0.000 2.424 19 D HA 0.047 4.687 4.640 -0.000 0.000 0.244 19 D C 0.545 176.862 176.300 0.030 0.000 1.134 19 D CA 0.144 54.136 54.000 -0.014 0.000 0.881 19 D CB 0.219 41.040 40.800 0.036 0.000 1.191 19 D HN 0.436 nan 8.370 nan 0.000 0.445 20 Y N 1.498 121.853 120.300 0.092 0.000 2.256 20 Y HA -0.227 4.323 4.550 -0.000 0.000 0.288 20 Y C 2.403 178.425 175.900 0.204 0.000 1.155 20 Y CA 1.269 59.466 58.100 0.162 0.000 1.203 20 Y CB -0.278 38.209 38.460 0.045 0.000 0.980 20 Y HN 0.466 nan 8.280 nan 0.000 0.530 21 R N 0.471 121.135 120.500 0.273 0.000 2.159 21 R HA -0.154 4.186 4.340 -0.000 0.000 0.237 21 R C 1.740 178.155 176.300 0.191 0.000 1.131 21 R CA 1.715 57.949 56.100 0.223 0.000 0.982 21 R CB -1.162 29.208 30.300 0.116 0.000 0.868 21 R HN 0.353 nan 8.270 nan 0.000 0.453 22 L N 0.801 122.102 121.223 0.129 0.000 2.261 22 L HA -0.105 4.235 4.340 -0.000 0.000 0.216 22 L C 1.469 178.344 176.870 0.009 0.000 1.114 22 L CA 1.532 56.410 54.840 0.064 0.000 0.777 22 L CB -0.240 41.840 42.059 0.035 0.000 0.910 22 L HN 0.356 nan 8.230 nan 0.000 0.440 23 T N -3.361 111.186 114.554 -0.012 0.000 2.987 23 T HA 0.061 4.411 4.350 -0.000 0.000 0.248 23 T C 0.915 175.392 174.700 -0.371 0.000 0.997 23 T CA 0.178 62.117 62.100 -0.267 0.000 1.013 23 T CB 0.207 68.790 68.868 -0.476 0.000 1.077 23 T HN 0.117 nan 8.240 nan 0.000 0.483 24 Y N -0.331 120.011 120.300 0.070 0.000 2.481 24 Y HA 0.430 4.980 4.550 -0.000 0.000 0.247 24 Y C -0.072 175.881 175.900 0.088 0.000 1.151 24 Y CA -1.206 56.919 58.100 0.042 0.000 1.238 24 Y CB 0.517 38.998 38.460 0.035 0.000 1.179 24 Y HN 0.168 nan 8.280 nan 0.000 0.524 25 Y N 2.192 122.542 120.300 0.084 0.000 2.369 25 Y HA 0.437 4.987 4.550 -0.000 0.000 0.337 25 Y C -0.038 175.883 175.900 0.034 0.000 0.961 25 Y CA -1.465 56.663 58.100 0.048 0.000 1.186 25 Y CB 0.758 39.239 38.460 0.035 0.000 1.139 25 Y HN 0.035 nan 8.280 nan 0.000 0.494 26 T N 5.568 119.929 114.554 -0.322 0.000 3.317 26 T HA 0.276 4.626 4.350 -0.000 0.000 0.361 26 T C -2.361 172.186 174.700 -0.256 0.000 1.499 26 T CA -1.783 60.162 62.100 -0.257 0.000 1.529 26 T CB 1.057 69.861 68.868 -0.107 0.000 0.997 26 T HN 0.473 nan 8.240 nan 0.000 0.624 27 P HA 0.055 nan 4.420 nan 0.000 0.234 27 P C 0.189 177.454 177.300 -0.058 0.000 1.167 27 P CA 0.669 63.593 63.100 -0.293 0.000 0.763 27 P CB 0.258 31.730 31.700 -0.380 0.000 0.835 28 D N -1.893 118.482 120.400 -0.042 0.000 2.369 28 D HA 0.002 4.642 4.640 -0.000 0.000 0.211 28 D C 0.406 176.726 176.300 0.034 0.000 1.077 28 D CA -0.326 53.673 54.000 -0.002 0.000 0.842 28 D CB -0.436 40.354 40.800 -0.017 0.000 0.947 28 D HN 0.187 nan 8.370 nan 0.000 0.509 29 Y N 2.013 122.280 120.300 -0.054 0.000 2.620 29 Y HA 0.086 4.636 4.550 -0.000 0.000 0.330 29 Y C -0.114 175.727 175.900 -0.099 0.000 1.186 29 Y CA -0.186 57.872 58.100 -0.070 0.000 1.467 29 Y CB 0.565 38.989 38.460 -0.061 0.000 1.262 29 Y HN -0.333 nan 8.280 nan 0.000 0.550 30 V N 8.672 128.138 119.914 -0.745 0.000 2.385 30 V HA 0.191 4.311 4.120 -0.000 0.000 0.269 30 V C -0.145 175.284 176.094 -1.108 0.000 1.043 30 V CA -0.738 61.157 62.300 -0.676 0.000 0.906 30 V CB 0.625 32.213 31.823 -0.391 0.000 0.995 30 V HN 0.737 nan 8.190 nan 0.000 0.467 31 V N 4.409 123.843 119.914 -0.800 0.000 2.740 31 V HA 0.406 4.526 4.120 -0.000 0.000 0.303 31 V C 0.391 176.267 176.094 -0.362 0.000 1.054 31 V CA -0.450 61.486 62.300 -0.607 0.000 1.106 31 V CB 0.273 31.806 31.823 -0.483 0.000 0.957 31 V HN 0.849 nan 8.190 nan 0.000 0.486 32 R N 2.855 123.236 120.500 -0.199 0.000 2.500 32 R HA 0.348 4.688 4.340 -0.000 0.000 0.277 32 R C 0.363 176.618 176.300 -0.075 0.000 1.026 32 R CA -0.572 55.462 56.100 -0.110 0.000 1.058 32 R CB 0.791 31.072 30.300 -0.030 0.000 1.078 32 R HN 0.773 nan 8.270 nan 0.000 0.509 33 D N 0.496 120.861 120.400 -0.058 0.000 2.350 33 D HA -0.095 4.544 4.640 -0.000 0.000 0.216 33 D C 1.293 177.579 176.300 -0.024 0.000 0.968 33 D CA 1.362 55.337 54.000 -0.042 0.000 0.894 33 D CB 0.169 40.953 40.800 -0.027 0.000 0.909 33 D HN 0.630 nan 8.370 nan 0.000 0.520 34 T N -2.757 111.793 114.554 -0.007 0.000 3.069 34 T HA 0.050 4.400 4.350 -0.000 0.000 0.252 34 T C 0.482 175.194 174.700 0.020 0.000 1.053 34 T CA -0.549 61.561 62.100 0.017 0.000 0.964 34 T CB 0.445 69.336 68.868 0.038 0.000 1.005 34 T HN -0.244 nan 8.240 nan 0.000 0.532 35 D N 1.696 122.104 120.400 0.013 0.000 2.382 35 D HA 0.342 4.982 4.640 -0.000 0.000 0.245 35 D C -0.190 176.105 176.300 -0.008 0.000 1.120 35 D CA -0.417 53.610 54.000 0.046 0.000 0.890 35 D CB 0.760 41.593 40.800 0.055 0.000 1.201 35 D HN 0.190 nan 8.370 nan 0.000 0.433 36 I N 2.045 122.637 120.570 0.036 0.000 2.371 36 I HA 0.145 4.315 4.170 -0.000 0.000 0.290 36 I C 0.037 176.199 176.117 0.075 0.000 1.028 36 I CA -0.142 61.116 61.300 -0.069 0.000 1.345 36 I CB 0.588 38.411 38.000 -0.295 0.000 1.407 36 I HN 0.054 nan 8.210 nan 0.000 0.501 37 L N 6.107 127.245 121.223 -0.142 0.000 2.334 37 L HA 0.874 5.214 4.340 -0.000 0.000 0.276 37 L C -0.072 176.704 176.870 -0.156 0.000 1.014 37 L CA -0.774 53.978 54.840 -0.147 0.000 0.815 37 L CB 1.573 43.297 42.059 -0.557 0.000 1.268 37 L HN 0.655 nan 8.230 nan 0.000 0.428 38 A N 2.039 124.970 122.820 0.186 0.000 2.365 38 A HA 0.892 5.212 4.320 -0.000 0.000 0.318 38 A C -0.720 176.980 177.584 0.193 0.000 1.091 38 A CA -0.554 51.550 52.037 0.111 0.000 0.763 38 A CB 1.757 20.768 19.000 0.018 0.000 1.248 38 A HN 0.755 nan 8.150 nan 0.000 0.442 39 A N 1.620 124.414 122.820 -0.043 0.000 2.285 39 A HA 0.712 5.032 4.320 -0.000 0.000 0.310 39 A C -1.202 176.055 177.584 -0.545 0.000 1.266 39 A CA -0.296 51.501 52.037 -0.401 0.000 0.832 39 A CB -0.102 18.514 19.000 -0.640 0.000 1.163 39 A HN 0.613 nan 8.150 nan 0.000 0.499 40 F N 1.554 121.325 119.950 -0.299 0.000 2.415 40 F HA 0.448 4.975 4.527 -0.000 0.000 0.348 40 F C 1.010 176.672 175.800 -0.229 0.000 1.119 40 F CA -0.304 57.553 58.000 -0.238 0.000 1.069 40 F CB 1.545 40.412 39.000 -0.222 0.000 1.124 40 F HN 0.601 nan 8.300 nan 0.000 0.472 41 R N 5.660 126.155 120.500 -0.008 0.000 2.248 41 R HA 0.360 4.700 4.340 -0.000 0.000 0.337 41 R C -0.744 175.576 176.300 0.033 0.000 1.085 41 R CA -0.220 55.886 56.100 0.010 0.000 0.934 41 R CB 0.389 30.696 30.300 0.011 0.000 1.034 41 R HN 0.842 nan 8.270 nan 0.000 0.465 42 M N 3.956 123.584 119.600 0.047 0.000 2.294 42 M HA 0.300 4.780 4.480 -0.000 0.000 0.335 42 M C -1.314 175.042 176.300 0.093 0.000 1.079 42 M CA -0.237 55.076 55.300 0.021 0.000 0.982 42 M CB 2.177 34.758 32.600 -0.031 0.000 1.651 42 M HN 0.383 nan 8.290 nan 0.000 0.437 43 T N 6.413 121.006 114.554 0.064 0.000 2.963 43 T HA 0.478 4.828 4.350 -0.000 0.000 0.343 43 T C -2.647 172.094 174.700 0.068 0.000 1.146 43 T CA -1.130 61.023 62.100 0.088 0.000 1.016 43 T CB 0.738 69.648 68.868 0.070 0.000 1.046 43 T HN 0.469 nan 8.240 nan 0.000 0.496 44 P HA 0.177 nan 4.420 nan 0.000 0.274 44 P C 0.108 177.435 177.300 0.045 0.000 1.231 44 P CA -0.659 62.464 63.100 0.038 0.000 0.790 44 P CB 0.588 32.300 31.700 0.020 0.000 0.951 45 Q N 2.080 121.898 119.800 0.030 0.000 2.454 45 Q HA 0.152 4.492 4.340 -0.000 0.000 0.247 45 Q C -1.988 174.030 176.000 0.029 0.000 1.028 45 Q CA -1.291 54.529 55.803 0.030 0.000 0.910 45 Q CB -0.723 28.032 28.738 0.027 0.000 1.276 45 Q HN 0.328 nan 8.270 nan 0.000 0.489 46 P HA -0.028 nan 4.420 nan 0.000 0.262 46 P C 0.529 177.841 177.300 0.020 0.000 1.182 46 P CA 1.043 64.158 63.100 0.026 0.000 0.761 46 P CB 0.258 31.971 31.700 0.021 0.000 0.795 47 G N 1.357 110.167 108.800 0.017 0.000 2.199 47 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.254 47 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.254 47 G C -0.058 174.844 174.900 0.004 0.000 0.982 47 G CA -0.129 44.977 45.100 0.011 0.000 0.632 47 G HN 0.531 nan 8.290 nan 0.000 0.529 48 V N 2.825 122.739 119.914 -0.000 0.000 2.318 48 V HA 0.436 4.556 4.120 -0.000 0.000 0.271 48 V C -1.637 174.422 176.094 -0.058 0.000 1.030 48 V CA -1.584 60.706 62.300 -0.016 0.000 0.844 48 V CB 1.325 33.144 31.823 -0.007 0.000 1.015 48 V HN 0.133 nan 8.190 nan 0.000 0.460 49 P HA 0.118 nan 4.420 nan 0.000 0.265 49 P C -1.836 175.319 177.300 -0.241 0.000 1.193 49 P CA -1.153 61.863 63.100 -0.140 0.000 0.765 49 P CB 0.209 31.834 31.700 -0.124 0.000 0.823 50 P HA -0.193 nan 4.420 nan 0.000 0.217 50 P C 0.902 177.918 177.300 -0.474 0.000 1.148 50 P CA 1.575 64.322 63.100 -0.589 0.000 0.828 50 P CB 0.185 31.197 31.700 -1.146 0.000 0.783 51 E N -0.142 119.766 120.200 -0.487 0.000 2.107 51 E HA -0.172 4.177 4.350 -0.000 0.000 0.191 51 E C 2.090 178.439 176.600 -0.418 0.000 0.982 51 E CA 0.977 56.964 56.400 -0.687 0.000 0.809 51 E CB -0.626 28.544 29.700 -0.884 0.000 0.756 51 E HN 0.254 nan 8.360 nan 0.000 0.459 52 E N 0.054 120.105 120.200 -0.249 0.000 2.107 52 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 52 E C 1.835 178.358 176.600 -0.128 0.000 0.982 52 E CA 0.865 57.204 56.400 -0.102 0.000 0.809 52 E CB -0.513 29.168 29.700 -0.033 0.000 0.756 52 E HN 0.279 nan 8.360 nan 0.000 0.459 53 C N -0.328 118.858 119.300 -0.190 0.000 2.453 53 C HA 0.058 4.518 4.460 -0.000 0.000 0.277 53 C C 2.694 177.506 174.990 -0.296 0.000 1.262 53 C CA 1.386 60.269 59.018 -0.225 0.000 1.718 53 C CB -1.377 26.243 27.740 -0.200 0.000 2.031 53 C HN 0.649 nan 8.230 nan 0.000 0.480 54 G N -0.118 108.518 108.800 -0.273 0.000 2.442 54 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.219 54 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.219 54 G C 1.907 176.677 174.900 -0.217 0.000 1.141 54 G CA 1.126 46.084 45.100 -0.237 0.000 0.763 54 G HN 0.725 nan 8.290 nan 0.000 0.554 55 A N 0.873 123.598 122.820 -0.158 0.000 1.968 55 A HA 0.407 4.727 4.320 -0.000 0.000 0.217 55 A C 2.761 180.133 177.584 -0.354 0.000 1.169 55 A CA 1.933 53.931 52.037 -0.064 0.000 0.638 55 A CB -0.564 18.507 19.000 0.118 0.000 0.812 55 A HN 0.693 nan 8.150 nan 0.000 0.446 56 A N -0.457 122.015 122.820 -0.579 0.000 1.898 56 A HA 0.042 4.362 4.320 -0.000 0.000 0.216 56 A C 2.200 179.150 177.584 -1.058 0.000 1.181 56 A CA 1.630 52.923 52.037 -1.240 0.000 0.620 56 A CB -0.896 17.503 19.000 -1.001 0.000 0.819 56 A HN 0.337 nan 8.150 nan 0.000 0.442 57 V N 0.013 119.464 119.914 -0.772 0.000 2.287 57 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 57 V C 3.073 178.834 176.094 -0.555 0.000 1.053 57 V CA 2.083 63.940 62.300 -0.737 0.000 1.027 57 V CB -1.259 30.075 31.823 -0.816 0.000 0.646 57 V HN 0.615 nan 8.190 nan 0.000 0.447 58 A N -0.197 122.363 122.820 -0.432 0.000 1.902 58 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 58 A C 2.416 179.774 177.584 -0.378 0.000 1.181 58 A CA 2.152 54.017 52.037 -0.286 0.000 0.623 58 A CB -0.789 18.121 19.000 -0.149 0.000 0.818 58 A HN 0.575 nan 8.150 nan 0.000 0.443 59 A N -0.434 121.940 122.820 -0.742 0.000 1.877 59 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 59 A C 1.841 179.085 177.584 -0.566 0.000 1.186 59 A CA 1.525 52.856 52.037 -1.176 0.000 0.620 59 A CB -0.377 17.766 19.000 -1.429 0.000 0.822 59 A HN 0.487 nan 8.150 nan 0.000 0.443 60 E N 0.290 120.172 120.200 -0.530 0.000 2.489 60 E HA -0.009 4.340 4.350 -0.000 0.000 0.193 60 E C 1.220 177.732 176.600 -0.147 0.000 1.057 60 E CA 0.775 57.000 56.400 -0.293 0.000 0.866 60 E CB 0.003 29.451 29.700 -0.419 0.000 0.916 60 E HN 0.707 nan 8.360 nan 0.000 0.500 61 S N -0.818 114.807 115.700 -0.124 0.000 2.568 61 S HA 0.131 4.600 4.470 -0.000 0.000 0.232 61 S C 1.363 176.042 174.600 0.131 0.000 0.975 61 S CA 0.221 58.450 58.200 0.048 0.000 0.949 61 S CB 0.317 63.613 63.200 0.160 0.000 0.829 61 S HN 0.143 nan 8.310 nan 0.000 0.479 62 S N 1.421 117.152 115.700 0.052 0.000 4.567 62 S HA 0.159 4.629 4.470 -0.000 0.000 0.167 62 S C 1.327 175.946 174.600 0.030 0.000 1.007 62 S CA 0.582 58.831 58.200 0.083 0.000 1.212 62 S CB -0.248 63.055 63.200 0.173 0.000 1.741 62 S HN 0.508 nan 8.310 nan 0.000 0.689 63 T N -0.861 113.729 114.554 0.059 0.000 2.986 63 T HA 0.490 4.840 4.350 -0.000 0.000 0.264 63 T C 0.779 175.532 174.700 0.088 0.000 0.964 63 T CA 0.364 62.515 62.100 0.085 0.000 0.895 63 T CB 0.222 69.194 68.868 0.174 0.000 1.163 63 T HN 0.731 nan 8.240 nan 0.000 0.517 64 G N 0.316 109.131 108.800 0.024 0.000 2.434 64 G HA2 0.570 4.530 3.960 -0.000 0.000 0.330 64 G HA3 0.570 4.530 3.960 -0.000 0.000 0.330 64 G C -0.875 174.081 174.900 0.094 0.000 1.155 64 G CA -0.292 44.847 45.100 0.065 0.000 0.917 64 G HN 0.267 nan 8.290 nan 0.000 0.493 65 T N -0.801 113.839 114.554 0.143 0.000 2.645 65 T HA 0.429 4.779 4.350 -0.000 0.000 0.273 65 T C 0.611 175.433 174.700 0.204 0.000 0.960 65 T CA -0.507 61.722 62.100 0.216 0.000 1.051 65 T CB 0.811 69.766 68.868 0.145 0.000 1.366 65 T HN 0.684 nan 8.240 nan 0.000 0.536 66 W N 0.789 122.179 121.300 0.150 0.000 2.800 66 W HA 0.307 4.967 4.660 -0.000 0.000 0.249 66 W C 0.293 176.780 176.519 -0.053 0.000 1.294 66 W CA 0.420 57.806 57.345 0.068 0.000 1.402 66 W CB -1.028 28.500 29.460 0.113 0.000 1.126 66 W HN 0.555 nan 8.180 nan 0.000 0.652 67 T N 0.674 114.769 114.554 -0.764 0.000 2.864 67 T HA 0.332 4.682 4.350 -0.000 0.000 0.299 67 T C -0.507 173.956 174.700 -0.395 0.000 1.166 67 T CA -0.315 61.349 62.100 -0.727 0.000 1.007 67 T CB 1.838 69.879 68.868 -1.379 0.000 1.219 67 T HN -0.226 nan 8.240 nan 0.000 0.506 68 T N 2.461 116.893 114.554 -0.205 0.000 2.870 68 T HA 0.476 4.825 4.350 -0.000 0.000 0.300 68 T C 0.161 174.916 174.700 0.093 0.000 0.989 68 T CA -0.343 61.747 62.100 -0.018 0.000 1.139 68 T CB 0.189 69.088 68.868 0.052 0.000 0.920 68 T HN 0.678 nan 8.240 nan 0.000 0.537 69 V N 3.135 123.067 119.914 0.030 0.000 2.581 69 V HA 0.503 4.622 4.120 -0.000 0.000 0.303 69 V C 1.133 177.086 176.094 -0.235 0.000 1.041 69 V CA -1.131 61.105 62.300 -0.106 0.000 0.907 69 V CB 1.357 33.031 31.823 -0.247 0.000 0.994 69 V HN 1.052 nan 8.190 nan 0.000 0.442 70 W N 2.412 123.297 121.300 -0.692 0.000 2.467 70 W HA -0.078 4.582 4.660 -0.000 0.000 0.275 70 W C 1.470 177.751 176.519 -0.398 0.000 1.239 70 W CA 1.346 58.095 57.345 -0.993 0.000 1.266 70 W CB -1.631 26.855 29.460 -1.623 0.000 1.112 70 W HN 0.749 nan 8.180 nan 0.000 0.576 71 T N -0.658 113.229 114.554 -1.111 0.000 2.929 71 T HA -0.241 4.109 4.350 -0.000 0.000 0.271 71 T C 1.137 175.615 174.700 -0.370 0.000 1.085 71 T CA 1.670 63.203 62.100 -0.946 0.000 1.125 71 T CB -0.672 67.574 68.868 -1.037 0.000 0.874 71 T HN -0.058 nan 8.240 nan 0.000 0.494 72 D N 2.057 122.312 120.400 -0.241 0.000 2.172 72 D HA -0.078 4.562 4.640 -0.000 0.000 0.196 72 D C 2.356 178.634 176.300 -0.037 0.000 0.999 72 D CA 1.490 55.433 54.000 -0.095 0.000 0.856 72 D CB -0.972 39.808 40.800 -0.034 0.000 0.934 72 D HN 0.607 nan 8.370 nan 0.000 0.453 73 G N 0.290 109.086 108.800 -0.006 0.000 2.470 73 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.220 73 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.220 73 G C 1.670 176.596 174.900 0.044 0.000 1.121 73 G CA 0.115 45.243 45.100 0.047 0.000 0.766 73 G HN 0.287 nan 8.290 nan 0.000 0.553 74 L N -0.292 120.941 121.223 0.017 0.000 2.395 74 L HA 0.140 4.479 4.340 -0.000 0.000 0.218 74 L C 1.812 178.693 176.870 0.018 0.000 1.130 74 L CA 0.610 55.464 54.840 0.024 0.000 0.826 74 L CB -0.078 41.979 42.059 -0.003 0.000 0.941 74 L HN 0.253 nan 8.230 nan 0.000 0.451 75 T N -2.552 112.012 114.554 0.017 0.000 2.678 75 T HA 0.301 4.651 4.350 -0.000 0.000 0.260 75 T C -0.463 174.287 174.700 0.084 0.000 0.932 75 T CA -0.463 61.677 62.100 0.066 0.000 1.043 75 T CB 1.885 70.785 68.868 0.053 0.000 1.413 75 T HN -0.116 nan 8.240 nan 0.000 0.568 76 S N 1.441 117.230 115.700 0.148 0.000 2.667 76 S HA 0.376 4.845 4.470 -0.000 0.000 0.304 76 S C 0.808 175.460 174.600 0.087 0.000 1.135 76 S CA -0.696 57.544 58.200 0.066 0.000 1.125 76 S CB 0.393 63.587 63.200 -0.010 0.000 0.996 76 S HN 0.561 nan 8.310 nan 0.000 0.474 77 L N 4.173 125.426 121.223 0.050 0.000 2.079 77 L HA -0.009 4.331 4.340 -0.000 0.000 0.210 77 L C 1.819 178.666 176.870 -0.038 0.000 1.081 77 L CA 1.918 56.777 54.840 0.032 0.000 0.752 77 L CB -0.511 41.532 42.059 -0.026 0.000 0.896 77 L HN 0.618 nan 8.230 nan 0.000 0.433 78 D N -0.934 119.419 120.400 -0.078 0.000 2.133 78 D HA -0.248 4.392 4.640 -0.000 0.000 0.195 78 D C 2.313 178.525 176.300 -0.147 0.000 0.997 78 D CA 1.194 55.127 54.000 -0.113 0.000 0.840 78 D CB -0.115 40.631 40.800 -0.090 0.000 0.947 78 D HN 0.301 nan 8.370 nan 0.000 0.452 79 R N -0.843 119.529 120.500 -0.214 0.000 2.092 79 R HA -0.128 4.211 4.340 -0.000 0.000 0.231 79 R C 1.542 177.569 176.300 -0.455 0.000 1.119 79 R CA 1.102 56.959 56.100 -0.405 0.000 0.970 79 R CB 0.003 29.908 30.300 -0.659 0.000 0.864 79 R HN 0.248 nan 8.270 nan 0.000 0.440 80 Y N 0.591 120.870 120.300 -0.036 0.000 2.535 80 Y HA 0.131 4.681 4.550 -0.000 0.000 0.266 80 Y C 0.251 176.142 175.900 -0.016 0.000 1.088 80 Y CA -0.165 57.919 58.100 -0.028 0.000 1.285 80 Y CB 0.124 38.567 38.460 -0.029 0.000 1.166 80 Y HN -0.058 nan 8.280 nan 0.000 0.525 81 K N 1.405 121.863 120.400 0.097 0.000 2.485 81 K HA 0.248 4.568 4.320 -0.000 0.000 0.277 81 K C 0.607 177.238 176.600 0.052 0.000 0.990 81 K CA 0.196 56.556 56.287 0.122 0.000 0.994 81 K CB 0.504 33.018 32.500 0.022 0.000 0.906 81 K HN 0.155 nan 8.250 nan 0.000 0.488 82 G N 2.547 111.407 108.800 0.100 0.000 2.544 82 G HA2 0.175 4.135 3.960 -0.000 0.000 0.242 82 G HA3 0.175 4.135 3.960 -0.000 0.000 0.242 82 G C -0.759 174.104 174.900 -0.062 0.000 1.247 82 G CA -0.830 44.203 45.100 -0.111 0.000 0.840 82 G HN 0.656 nan 8.290 nan 0.000 0.578 83 R N 0.546 120.937 120.500 -0.183 0.000 2.473 83 R HA 0.250 4.590 4.340 -0.000 0.000 0.303 83 R C -0.923 175.406 176.300 0.048 0.000 1.002 83 R CA -0.634 55.408 56.100 -0.097 0.000 0.884 83 R CB 1.653 31.747 30.300 -0.343 0.000 1.173 83 R HN 0.532 nan 8.270 nan 0.000 0.464 84 C N 5.255 124.609 119.300 0.089 0.000 2.610 84 C HA 0.155 4.615 4.460 -0.000 0.000 0.382 84 C C 1.089 176.184 174.990 0.174 0.000 1.287 84 C CA -0.347 58.751 59.018 0.133 0.000 1.640 84 C CB -1.176 26.666 27.740 0.171 0.000 2.335 84 C HN 0.976 nan 8.230 nan 0.000 0.577 85 Y N 2.102 122.488 120.300 0.142 0.000 2.467 85 Y HA 0.527 5.077 4.550 -0.000 0.000 0.250 85 Y C 0.182 176.154 175.900 0.120 0.000 1.155 85 Y CA -0.390 57.770 58.100 0.100 0.000 1.249 85 Y CB 0.015 38.594 38.460 0.198 0.000 1.146 85 Y HN 0.540 nan 8.280 nan 0.000 0.524 86 D N 0.466 120.797 120.400 -0.115 0.000 2.745 86 D HA 0.437 5.077 4.640 -0.000 0.000 0.221 86 D C -1.731 174.681 176.300 0.186 0.000 1.237 86 D CA -0.375 53.643 54.000 0.030 0.000 0.781 86 D CB 1.714 42.444 40.800 -0.116 0.000 1.575 86 D HN 0.177 nan 8.370 nan 0.000 0.482 87 I N 2.539 123.244 120.570 0.225 0.000 2.478 87 I HA 0.331 4.501 4.170 -0.000 0.000 0.287 87 I C -0.581 175.672 176.117 0.228 0.000 1.042 87 I CA -0.697 60.730 61.300 0.211 0.000 1.067 87 I CB 1.955 40.007 38.000 0.087 0.000 1.233 87 I HN 0.234 nan 8.210 nan 0.000 0.431 88 E N 7.425 127.790 120.200 0.275 0.000 2.199 88 E HA 0.502 4.852 4.350 -0.000 0.000 0.269 88 E C -2.707 174.036 176.600 0.238 0.000 0.899 88 E CA -2.252 54.288 56.400 0.233 0.000 0.772 88 E CB 1.431 31.258 29.700 0.213 0.000 1.155 88 E HN 0.204 nan 8.360 nan 0.000 0.408 89 P HA -0.024 nan 4.420 nan 0.000 0.269 89 P C -0.344 176.940 177.300 -0.027 0.000 1.215 89 P CA -0.329 62.784 63.100 0.021 0.000 0.780 89 P CB 0.713 32.416 31.700 0.006 0.000 0.898 90 V N 4.631 124.472 119.914 -0.122 0.000 2.407 90 V HA 0.205 4.325 4.120 -0.000 0.000 0.278 90 V C -1.963 174.092 176.094 -0.064 0.000 1.037 90 V CA -1.821 60.443 62.300 -0.061 0.000 0.900 90 V CB 0.658 32.446 31.823 -0.058 0.000 0.983 90 V HN 0.525 nan 8.190 nan 0.000 0.459 91 P HA 0.219 nan 4.420 nan 0.000 0.263 91 P C 0.908 178.191 177.300 -0.028 0.000 1.195 91 P CA 1.135 64.218 63.100 -0.028 0.000 0.762 91 P CB 0.493 32.183 31.700 -0.017 0.000 0.799 92 G N 1.476 110.257 108.800 -0.031 0.000 2.157 92 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.239 92 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.239 92 G C -0.168 174.711 174.900 -0.035 0.000 0.982 92 G CA -0.362 44.723 45.100 -0.025 0.000 0.650 92 G HN 0.534 nan 8.290 nan 0.000 0.527 93 E N 0.185 120.348 120.200 -0.062 0.000 2.256 93 E HA 0.374 4.724 4.350 -0.000 0.000 0.268 93 E C -0.263 176.262 176.600 -0.125 0.000 0.877 93 E CA -0.772 55.578 56.400 -0.084 0.000 0.757 93 E CB 1.559 31.200 29.700 -0.098 0.000 1.183 93 E HN 0.129 nan 8.360 nan 0.000 0.418 94 D N 0.775 121.115 120.400 -0.099 0.000 2.305 94 D HA -0.047 4.592 4.640 -0.000 0.000 0.206 94 D C 0.571 176.788 176.300 -0.138 0.000 0.974 94 D CA 0.666 54.608 54.000 -0.097 0.000 0.871 94 D CB 0.454 41.230 40.800 -0.040 0.000 0.947 94 D HN 0.231 nan 8.370 nan 0.000 0.516 95 N N 0.216 118.826 118.700 -0.150 0.000 2.387 95 N HA 0.043 4.783 4.740 -0.000 0.000 0.259 95 N C -1.013 174.406 175.510 -0.151 0.000 1.369 95 N CA -0.016 52.970 53.050 -0.106 0.000 0.867 95 N CB 0.665 39.162 38.487 0.016 0.000 1.341 95 N HN -0.062 nan 8.380 nan 0.000 0.495 96 Q N 0.255 119.847 119.800 -0.347 0.000 2.353 96 Q HA 0.412 4.752 4.340 -0.000 0.000 0.268 96 Q C -1.445 174.272 176.000 -0.473 0.000 1.045 96 Q CA -0.674 54.990 55.803 -0.233 0.000 0.811 96 Q CB 1.886 30.559 28.738 -0.109 0.000 1.305 96 Q HN 0.216 nan 8.270 nan 0.000 0.447 97 Y N 1.028 121.326 120.300 -0.003 0.000 2.512 97 Y HA 0.433 4.982 4.550 -0.000 0.000 0.348 97 Y C -0.334 175.556 175.900 -0.017 0.000 0.990 97 Y CA -1.152 56.947 58.100 -0.002 0.000 1.033 97 Y CB 1.381 39.832 38.460 -0.016 0.000 1.259 97 Y HN 0.411 nan 8.280 nan 0.000 0.461 98 I N 2.674 123.330 120.570 0.142 0.000 2.297 98 I HA 0.446 4.616 4.170 -0.000 0.000 0.291 98 I C 0.109 176.191 176.117 -0.057 0.000 1.033 98 I CA -0.703 60.587 61.300 -0.018 0.000 1.253 98 I CB 0.366 38.334 38.000 -0.054 0.000 1.396 98 I HN 0.696 nan 8.210 nan 0.000 0.476 99 A N 7.462 130.223 122.820 -0.100 0.000 2.276 99 A HA 0.616 4.936 4.320 -0.000 0.000 0.316 99 A C -1.151 176.345 177.584 -0.147 0.000 1.229 99 A CA -0.370 51.635 52.037 -0.054 0.000 0.851 99 A CB 0.275 19.254 19.000 -0.036 0.000 1.165 99 A HN 0.541 nan 8.150 nan 0.000 0.513 100 Y N 1.684 121.936 120.300 -0.081 0.000 2.328 100 Y HA 0.478 5.028 4.550 -0.000 0.000 0.337 100 Y C 0.115 175.870 175.900 -0.242 0.000 1.008 100 Y CA -0.275 57.706 58.100 -0.198 0.000 1.129 100 Y CB 1.815 39.916 38.460 -0.598 0.000 1.185 100 Y HN 0.399 nan 8.280 nan 0.000 0.476 101 V N 3.091 123.140 119.914 0.224 0.000 2.540 101 V HA 0.789 4.909 4.120 -0.000 0.000 0.302 101 V C -0.375 175.877 176.094 0.262 0.000 1.035 101 V CA -1.079 61.327 62.300 0.177 0.000 0.873 101 V CB 1.643 33.504 31.823 0.063 0.000 0.992 101 V HN 0.839 nan 8.190 nan 0.000 0.428 102 A N 4.185 127.112 122.820 0.178 0.000 2.304 102 A HA 0.887 5.207 4.320 -0.000 0.000 0.323 102 A C -1.284 176.183 177.584 -0.195 0.000 1.195 102 A CA -0.332 51.753 52.037 0.079 0.000 0.826 102 A CB 0.592 19.648 19.000 0.094 0.000 1.184 102 A HN 0.727 nan 8.150 nan 0.000 0.496 106 D N 1.656 122.146 120.400 0.151 0.000 2.309 106 D HA 0.004 4.644 4.640 -0.000 0.000 0.212 106 D C 2.032 178.367 176.300 0.058 0.000 0.968 106 D CA 1.100 55.188 54.000 0.147 0.000 0.882 106 D CB 0.074 41.022 40.800 0.246 0.000 0.918 106 D HN 0.423 nan 8.370 nan 0.000 0.503 107 L N -0.731 120.441 121.223 -0.086 0.000 2.376 107 L HA 0.003 4.343 4.340 -0.000 0.000 0.219 107 L C 0.163 176.679 176.870 -0.591 0.000 1.133 107 L CA 0.401 54.990 54.840 -0.417 0.000 0.816 107 L CB -0.115 41.533 42.059 -0.685 0.000 0.933 107 L HN -0.093 nan 8.230 nan 0.000 0.449 108 F N -0.343 119.568 119.950 -0.064 0.000 2.443 108 F HA 0.294 4.821 4.527 -0.000 0.000 0.335 108 F C 0.671 176.504 175.800 0.055 0.000 1.104 108 F CA -1.107 56.851 58.000 -0.070 0.000 1.013 108 F CB 0.972 39.756 39.000 -0.360 0.000 1.136 108 F HN -0.180 nan 8.300 nan 0.000 0.470 109 E N 1.832 122.193 120.200 0.268 0.000 2.344 109 E HA 0.080 4.430 4.350 -0.000 0.000 0.270 109 E C -0.737 176.012 176.600 0.249 0.000 1.021 109 E CA -0.489 56.027 56.400 0.194 0.000 0.887 109 E CB 0.553 30.319 29.700 0.110 0.000 0.997 109 E HN 0.513 nan 8.360 nan 0.000 0.429 110 E N 2.378 122.650 120.200 0.121 0.000 2.415 110 E HA 0.172 4.522 4.350 -0.000 0.000 0.263 110 E C 0.845 177.196 176.600 -0.415 0.000 0.995 110 E CA 1.337 57.697 56.400 -0.067 0.000 0.915 110 E CB 0.649 30.312 29.700 -0.062 0.000 0.951 110 E HN 0.804 nan 8.360 nan 0.000 0.449 111 G N 2.652 110.745 108.800 -1.179 0.000 2.184 111 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.264 111 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.264 111 G C 0.387 174.811 174.900 -0.794 0.000 0.975 111 G CA 0.412 44.595 45.100 -1.528 0.000 0.642 111 G HN 0.545 nan 8.290 nan 0.000 0.536 112 S N -0.210 115.298 115.700 -0.320 0.000 2.528 112 S HA 0.545 5.014 4.470 -0.000 0.000 0.303 112 S C 1.551 176.320 174.600 0.282 0.000 1.123 112 S CA 0.133 58.383 58.200 0.083 0.000 1.138 112 S CB 1.181 64.427 63.200 0.077 0.000 0.984 112 S HN 0.554 nan 8.310 nan 0.000 0.474 113 V N 4.802 124.858 119.914 0.237 0.000 2.343 113 V HA -0.142 3.977 4.120 -0.000 0.000 0.247 113 V C 2.612 178.580 176.094 -0.211 0.000 1.051 113 V CA 2.485 64.710 62.300 -0.124 0.000 1.036 113 V CB -1.075 30.379 31.823 -0.614 0.000 0.654 113 V HN 0.837 nan 8.190 nan 0.000 0.451 114 T N 0.153 114.641 114.554 -0.109 0.000 2.624 114 T HA -0.307 4.043 4.350 -0.000 0.000 0.268 114 T C 1.916 176.685 174.700 0.114 0.000 1.041 114 T CA 2.149 64.259 62.100 0.016 0.000 1.159 114 T CB -0.542 68.382 68.868 0.094 0.000 0.863 114 T HN 0.595 nan 8.240 nan 0.000 0.434 115 N N 0.391 119.181 118.700 0.149 0.000 2.142 115 N HA -0.082 4.658 4.740 -0.000 0.000 0.186 115 N C 2.117 177.790 175.510 0.273 0.000 1.023 115 N CA 1.223 54.386 53.050 0.188 0.000 0.852 115 N CB -0.227 38.374 38.487 0.190 0.000 0.998 115 N HN 0.429 nan 8.380 nan 0.000 0.424 116 M N -0.326 119.483 119.600 0.350 0.000 2.086 116 M HA -0.164 4.316 4.480 -0.000 0.000 0.261 116 M C 1.496 177.990 176.300 0.323 0.000 1.067 116 M CA 1.505 57.039 55.300 0.391 0.000 1.116 116 M CB -0.170 32.583 32.600 0.255 0.000 1.348 116 M HN 0.017 nan 8.290 nan 0.000 0.407 117 F N 0.594 120.549 119.950 0.009 0.000 2.171 117 F HA -0.152 4.375 4.527 -0.000 0.000 0.300 117 F C 2.517 178.345 175.800 0.046 0.000 1.090 117 F CA 1.723 59.722 58.000 -0.001 0.000 1.293 117 F CB -1.275 37.705 39.000 -0.034 0.000 1.013 117 F HN 0.187 nan 8.300 nan 0.000 0.486 118 T N -1.057 113.642 114.554 0.241 0.000 2.720 118 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 118 T C 2.355 177.116 174.700 0.102 0.000 1.037 118 T CA 1.757 63.948 62.100 0.152 0.000 1.144 118 T CB -0.436 68.507 68.868 0.124 0.000 0.864 118 T HN 0.154 nan 8.240 nan 0.000 0.444 119 S N 0.867 116.614 115.700 0.078 0.000 2.338 119 S HA 0.055 4.525 4.470 -0.000 0.000 0.218 119 S C 2.063 176.678 174.600 0.026 0.000 1.032 119 S CA 0.958 59.163 58.200 0.008 0.000 0.999 119 S CB -0.346 62.789 63.200 -0.108 0.000 0.905 119 S HN 0.401 nan 8.310 nan 0.000 0.439 120 I N 1.334 121.906 120.570 0.003 0.000 2.439 120 I HA -0.053 4.117 4.170 -0.000 0.000 0.251 120 I C 1.557 177.819 176.117 0.241 0.000 1.139 120 I CA 0.899 62.226 61.300 0.045 0.000 1.438 120 I CB -0.013 37.923 38.000 -0.108 0.000 1.085 120 I HN 0.256 nan 8.210 nan 0.000 0.427 121 V N -3.228 116.763 119.914 0.128 0.000 3.252 121 V HA 0.479 4.599 4.120 -0.000 0.000 0.320 121 V C 1.531 177.704 176.094 0.132 0.000 1.459 121 V CA 0.269 62.677 62.300 0.180 0.000 1.095 121 V CB -0.318 31.368 31.823 -0.228 0.000 0.997 121 V HN 0.204 nan 8.190 nan 0.000 0.469 122 G N 1.722 110.611 108.800 0.149 0.000 2.434 122 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.214 122 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.214 122 G C 1.188 176.185 174.900 0.161 0.000 1.202 122 G CA 1.317 46.495 45.100 0.130 0.000 0.788 122 G HN 0.540 nan 8.290 nan 0.000 0.539 123 N N -0.464 118.356 118.700 0.200 0.000 2.382 123 N HA 0.007 4.746 4.740 -0.000 0.000 0.200 123 N C 2.274 177.991 175.510 0.345 0.000 1.122 123 N CA 0.891 54.087 53.050 0.243 0.000 0.870 123 N CB 0.351 38.984 38.487 0.245 0.000 1.176 123 N HN 0.267 nan 8.380 nan 0.000 0.474 124 V N -1.215 118.856 119.914 0.261 0.000 2.720 124 V HA -0.041 4.079 4.120 -0.000 0.000 0.256 124 V C 1.616 177.774 176.094 0.106 0.000 1.082 124 V CA 1.275 63.612 62.300 0.062 0.000 1.101 124 V CB -1.140 30.487 31.823 -0.327 0.000 0.693 124 V HN -0.069 nan 8.190 nan 0.000 0.479 125 F N 2.397 122.406 119.950 0.098 0.000 2.604 125 F HA 0.321 4.847 4.527 -0.000 0.000 0.298 125 F C 2.308 178.229 175.800 0.202 0.000 1.131 125 F CA 1.043 59.121 58.000 0.130 0.000 1.457 125 F CB -0.604 38.453 39.000 0.096 0.000 1.095 125 F HN 0.334 nan 8.300 nan 0.000 0.574 126 G N -1.624 107.383 108.800 0.344 0.000 3.126 126 G HA2 0.032 3.991 3.960 -0.000 0.000 0.224 126 G HA3 0.032 3.991 3.960 -0.000 0.000 0.224 126 G C 0.140 175.110 174.900 0.116 0.000 1.142 126 G CA -0.227 44.993 45.100 0.201 0.000 0.759 126 G HN 0.011 nan 8.290 nan 0.000 0.550 127 F N 1.552 121.510 119.950 0.013 0.000 2.602 127 F HA 0.158 4.685 4.527 -0.000 0.000 0.385 127 F C 1.777 177.569 175.800 -0.013 0.000 1.063 127 F CA 0.235 58.224 58.000 -0.019 0.000 1.233 127 F CB 1.008 39.966 39.000 -0.071 0.000 1.067 127 F HN -0.029 nan 8.300 nan 0.000 0.564 128 K N 2.749 123.143 120.400 -0.009 0.000 2.152 128 K HA -0.195 4.125 4.320 -0.000 0.000 0.206 128 K C 1.970 178.608 176.600 0.064 0.000 1.048 128 K CA 1.350 57.642 56.287 0.009 0.000 0.933 128 K CB -0.147 32.330 32.500 -0.038 0.000 0.721 128 K HN 0.719 nan 8.250 nan 0.000 0.447 129 A N 1.020 123.918 122.820 0.130 0.000 2.168 129 A HA 0.023 4.343 4.320 -0.000 0.000 0.215 129 A C 0.773 178.393 177.584 0.060 0.000 1.152 129 A CA 0.494 52.593 52.037 0.104 0.000 0.716 129 A CB -0.462 18.628 19.000 0.150 0.000 0.794 129 A HN 0.245 nan 8.150 nan 0.000 0.465 130 L N -5.917 115.346 121.223 0.066 0.000 2.319 130 L HA 0.693 5.033 4.340 -0.000 0.000 0.267 130 L C 0.620 177.519 176.870 0.048 0.000 1.011 130 L CA -0.785 54.074 54.840 0.031 0.000 0.818 130 L CB 1.250 43.296 42.059 -0.021 0.000 1.316 130 L HN -0.047 nan 8.230 nan 0.000 0.432 131 R N 0.876 121.404 120.500 0.047 0.000 2.225 131 R HA 0.691 5.031 4.340 -0.000 0.000 0.194 131 R C -0.155 176.189 176.300 0.073 0.000 0.957 131 R CA 0.543 56.671 56.100 0.047 0.000 1.042 131 R CB 0.674 30.997 30.300 0.039 0.000 1.004 131 R HN 0.847 nan 8.270 nan 0.000 0.509 132 A N 0.880 123.771 122.820 0.119 0.000 2.594 132 A HA 0.589 4.909 4.320 -0.000 0.000 0.296 132 A C -2.108 175.581 177.584 0.176 0.000 1.061 132 A CA -0.608 51.586 52.037 0.263 0.000 0.689 132 A CB 1.657 20.780 19.000 0.205 0.000 1.280 132 A HN 0.039 nan 8.150 nan 0.000 0.406 133 L N 0.869 122.209 121.223 0.195 0.000 2.493 133 L HA 0.777 5.117 4.340 -0.000 0.000 0.265 133 L C -0.682 176.122 176.870 -0.110 0.000 0.954 133 L CA -0.116 54.619 54.840 -0.176 0.000 0.844 133 L CB 1.922 43.568 42.059 -0.688 0.000 1.302 133 L HN 0.816 nan 8.230 nan 0.000 0.405 134 R N 4.016 124.533 120.500 0.028 0.000 2.538 134 R HA 0.533 4.873 4.340 -0.000 0.000 0.292 134 R C -1.814 174.561 176.300 0.124 0.000 1.008 134 R CA -0.908 55.282 56.100 0.151 0.000 0.896 134 R CB 1.830 32.189 30.300 0.099 0.000 1.187 134 R HN 0.662 nan 8.270 nan 0.000 0.440 135 L N 4.508 125.833 121.223 0.171 0.000 2.278 135 L HA 0.237 4.577 4.340 -0.000 0.000 0.287 135 L C 0.820 177.592 176.870 -0.163 0.000 1.072 135 L CA 0.537 55.294 54.840 -0.139 0.000 0.819 135 L CB 1.050 43.014 42.059 -0.158 0.000 1.176 135 L HN 0.666 nan 8.230 nan 0.000 0.435 136 E N 2.260 122.263 120.200 -0.328 0.000 2.166 136 E HA 0.103 4.453 4.350 -0.000 0.000 0.192 136 E C -0.255 176.140 176.600 -0.341 0.000 0.967 136 E CA 0.509 56.676 56.400 -0.388 0.000 0.840 136 E CB 0.406 29.592 29.700 -0.857 0.000 0.795 136 E HN 0.698 nan 8.360 nan 0.000 0.470 137 D N -1.128 119.080 120.400 -0.320 0.000 2.648 137 D HA 0.381 5.021 4.640 -0.000 0.000 0.244 137 D C -1.518 174.843 176.300 0.101 0.000 1.244 137 D CA -0.449 53.515 54.000 -0.060 0.000 0.772 137 D CB 1.361 42.147 40.800 -0.024 0.000 1.379 137 D HN -0.151 nan 8.370 nan 0.000 0.428 138 L N 1.360 122.660 121.223 0.129 0.000 2.408 138 L HA 0.515 4.854 4.340 -0.000 0.000 0.268 138 L C -0.143 176.658 176.870 -0.116 0.000 0.986 138 L CA -0.928 53.898 54.840 -0.024 0.000 0.820 138 L CB 2.255 44.251 42.059 -0.106 0.000 1.303 138 L HN 0.178 nan 8.230 nan 0.000 0.411 139 R N 4.221 124.427 120.500 -0.489 0.000 2.230 139 R HA 0.361 4.700 4.340 -0.000 0.000 0.337 139 R C -0.901 175.190 176.300 -0.348 0.000 1.063 139 R CA -0.618 55.196 56.100 -0.477 0.000 0.935 139 R CB 0.360 30.198 30.300 -0.770 0.000 1.121 139 R HN 0.435 nan 8.270 nan 0.000 0.486 140 I N 7.702 128.069 120.570 -0.338 0.000 2.322 140 I HA 0.251 4.421 4.170 -0.000 0.000 0.292 140 I C -1.934 174.029 176.117 -0.256 0.000 1.060 140 I CA -2.740 58.389 61.300 -0.286 0.000 1.309 140 I CB 0.921 38.710 38.000 -0.351 0.000 1.415 140 I HN 0.246 nan 8.210 nan 0.000 0.492 141 P HA 0.246 nan 4.420 nan 0.000 0.275 141 P C -2.276 175.007 177.300 -0.027 0.000 1.228 141 P CA -1.579 61.472 63.100 -0.082 0.000 0.786 141 P CB 0.534 32.213 31.700 -0.035 0.000 0.927 142 P HA -0.216 nan 4.420 nan 0.000 0.217 142 P C 1.466 178.808 177.300 0.069 0.000 1.151 142 P CA 2.285 65.400 63.100 0.025 0.000 0.849 142 P CB -0.435 31.287 31.700 0.036 0.000 0.787 143 A N -2.323 120.545 122.820 0.081 0.000 2.015 143 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 143 A C 2.156 179.855 177.584 0.192 0.000 1.163 143 A CA 1.234 53.338 52.037 0.111 0.000 0.646 143 A CB -1.542 17.515 19.000 0.095 0.000 0.806 143 A HN 0.155 nan 8.150 nan 0.000 0.448 144 Y N -0.034 120.296 120.300 0.050 0.000 2.301 144 Y HA -0.007 4.543 4.550 -0.000 0.000 0.295 144 Y C 2.347 178.392 175.900 0.243 0.000 1.119 144 Y CA 0.978 59.145 58.100 0.111 0.000 1.162 144 Y CB -0.308 38.173 38.460 0.035 0.000 1.046 144 Y HN 0.044 nan 8.280 nan 0.000 0.538 145 V N 0.900 120.883 119.914 0.115 0.000 2.324 145 V HA -0.345 3.775 4.120 -0.000 0.000 0.250 145 V C 2.280 178.479 176.094 0.175 0.000 1.060 145 V CA 2.144 64.500 62.300 0.093 0.000 1.042 145 V CB -0.566 31.299 31.823 0.069 0.000 0.650 145 V HN 0.253 nan 8.190 nan 0.000 0.450 146 K N 0.546 121.018 120.400 0.120 0.000 2.360 146 K HA -0.106 4.214 4.320 -0.000 0.000 0.201 146 K C 2.066 178.695 176.600 0.048 0.000 1.046 146 K CA 1.604 57.944 56.287 0.088 0.000 0.945 146 K CB -0.801 31.740 32.500 0.069 0.000 0.750 146 K HN 0.772 nan 8.250 nan 0.000 0.464 147 T N -2.097 112.458 114.554 0.002 0.000 3.148 147 T HA 0.086 4.436 4.350 -0.000 0.000 0.253 147 T C 0.452 174.929 174.700 -0.373 0.000 1.134 147 T CA -0.140 61.843 62.100 -0.195 0.000 1.051 147 T CB -0.250 68.432 68.868 -0.309 0.000 0.959 147 T HN -0.161 nan 8.240 nan 0.000 0.525 148 F N 0.189 120.051 119.950 -0.147 0.000 2.450 148 F HA 0.546 5.073 4.527 -0.000 0.000 0.332 148 F C 1.279 177.033 175.800 -0.077 0.000 1.093 148 F CA -1.372 56.553 58.000 -0.126 0.000 1.003 148 F CB 1.729 40.640 39.000 -0.148 0.000 1.151 148 F HN -0.271 nan 8.300 nan 0.000 0.474 149 V N 2.143 122.107 119.914 0.083 0.000 2.343 149 V HA 0.017 4.137 4.120 -0.000 0.000 0.247 149 V C 1.333 177.448 176.094 0.035 0.000 1.051 149 V CA 1.605 63.923 62.300 0.031 0.000 1.036 149 V CB -1.286 30.534 31.823 -0.005 0.000 0.654 149 V HN 1.153 nan 8.190 nan 0.000 0.451 153 H N -0.769 118.275 119.070 -0.043 0.000 2.089 153 H HA 0.487 5.043 4.556 -0.000 0.000 0.206 153 H C 1.016 176.331 175.328 -0.022 0.000 0.872 153 H CA 1.122 57.154 56.048 -0.026 0.000 0.979 153 H CB 0.474 30.224 29.762 -0.019 0.000 1.266 153 H HN 0.289 nan 8.280 nan 0.000 0.389 154 G N 1.230 110.081 108.800 0.085 0.000 2.746 154 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.685 154 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.685 154 G C 0.802 175.743 174.900 0.068 0.000 1.350 154 G CA -0.049 45.072 45.100 0.036 0.000 0.837 154 G HN 0.205 nan 8.290 nan 0.000 0.564 155 I N 0.309 120.906 120.570 0.046 0.000 2.118 155 I HA -0.298 3.871 4.170 -0.000 0.000 0.241 155 I C 2.996 179.160 176.117 0.078 0.000 1.070 155 I CA 2.536 63.873 61.300 0.061 0.000 1.327 155 I CB -0.338 37.687 38.000 0.041 0.000 1.034 155 I HN 0.652 nan 8.210 nan 0.000 0.405 156 Q N 0.123 119.969 119.800 0.077 0.000 2.050 156 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 156 Q C 2.292 178.355 176.000 0.105 0.000 0.980 156 Q CA 1.466 57.328 55.803 0.098 0.000 0.840 156 Q CB -0.598 28.190 28.738 0.083 0.000 0.898 156 Q HN 0.350 nan 8.270 nan 0.000 0.424 157 V N 0.928 120.899 119.914 0.095 0.000 2.343 157 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 157 V C 2.224 178.356 176.094 0.064 0.000 1.051 157 V CA 2.126 64.484 62.300 0.097 0.000 1.036 157 V CB -0.591 31.313 31.823 0.136 0.000 0.654 157 V HN 0.467 nan 8.190 nan 0.000 0.451 158 E N 0.257 120.499 120.200 0.069 0.000 2.051 158 E HA -0.250 4.100 4.350 -0.000 0.000 0.192 158 E C 2.475 179.087 176.600 0.019 0.000 0.991 158 E CA 1.387 57.810 56.400 0.039 0.000 0.799 158 E CB -0.104 29.654 29.700 0.098 0.000 0.748 158 E HN 0.497 nan 8.360 nan 0.000 0.449 159 R N 0.309 120.822 120.500 0.022 0.000 2.091 159 R HA -0.141 4.199 4.340 -0.000 0.000 0.238 159 R C 1.971 178.167 176.300 -0.172 0.000 1.136 159 R CA 1.607 57.648 56.100 -0.098 0.000 0.959 159 R CB -0.201 30.098 30.300 -0.001 0.000 0.856 159 R HN 0.298 nan 8.270 nan 0.000 0.437 160 D N 0.386 120.813 120.400 0.046 0.000 2.144 160 D HA -0.114 4.525 4.640 -0.000 0.000 0.200 160 D C 1.610 177.923 176.300 0.023 0.000 0.978 160 D CA 1.241 55.309 54.000 0.114 0.000 0.833 160 D CB 0.000 40.888 40.800 0.147 0.000 0.961 160 D HN 0.190 nan 8.370 nan 0.000 0.470 161 K N -0.080 120.311 120.400 -0.015 0.000 2.217 161 K HA 0.077 4.397 4.320 -0.000 0.000 0.202 161 K C 1.961 178.537 176.600 -0.040 0.000 1.051 161 K CA 0.397 56.662 56.287 -0.038 0.000 0.952 161 K CB 0.185 32.626 32.500 -0.097 0.000 0.736 161 K HN 0.131 nan 8.250 nan 0.000 0.453 162 L N 0.165 121.351 121.223 -0.063 0.000 2.477 162 L HA 0.046 4.386 4.340 -0.000 0.000 0.220 162 L C 0.534 177.321 176.870 -0.138 0.000 1.106 162 L CA -0.023 54.774 54.840 -0.070 0.000 0.851 162 L CB -0.286 41.746 42.059 -0.045 0.000 0.994 162 L HN 0.359 nan 8.230 nan 0.000 0.462 163 N N 1.454 120.032 118.700 -0.203 0.000 2.740 163 N HA -0.186 4.554 4.740 -0.000 0.000 0.248 163 N C -0.436 174.814 175.510 -0.433 0.000 1.062 163 N CA 0.439 53.346 53.050 -0.238 0.000 0.704 163 N CB -0.356 38.107 38.487 -0.040 0.000 0.968 163 N HN 0.366 nan 8.380 nan 0.000 0.547 164 K N 1.308 121.273 120.400 -0.724 0.000 2.413 164 K HA 0.427 4.746 4.320 -0.000 0.000 0.257 164 K C -1.436 174.744 176.600 -0.701 0.000 0.946 164 K CA -0.360 55.616 56.287 -0.518 0.000 0.823 164 K CB 1.097 33.434 32.500 -0.272 0.000 1.109 164 K HN 0.109 nan 8.250 nan 0.000 0.427 165 Y N -0.578 119.724 120.300 0.004 0.000 2.534 165 Y HA 0.433 4.983 4.550 -0.000 0.000 0.345 165 Y C 0.911 176.814 175.900 0.006 0.000 1.031 165 Y CA -0.768 57.338 58.100 0.009 0.000 1.022 165 Y CB 2.585 41.051 38.460 0.009 0.000 1.292 165 Y HN 0.759 nan 8.280 nan 0.000 0.459 166 G N 1.536 110.441 108.800 0.177 0.000 2.159 166 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.227 166 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.227 166 G C -0.249 174.690 174.900 0.065 0.000 0.986 166 G CA 0.058 45.220 45.100 0.104 0.000 0.651 166 G HN 0.916 nan 8.290 nan 0.000 0.523 167 R N -1.276 119.259 120.500 0.058 0.000 2.712 167 R HA 0.625 4.965 4.340 -0.000 0.000 0.272 167 R C 0.387 176.709 176.300 0.037 0.000 1.032 167 R CA -0.487 55.638 56.100 0.041 0.000 0.874 167 R CB 0.115 30.430 30.300 0.025 0.000 1.256 167 R HN 1.032 nan 8.270 nan 0.000 0.468 168 G N 1.397 110.222 108.800 0.041 0.000 2.559 168 G HA2 0.306 4.266 3.960 -0.000 0.000 0.235 168 G HA3 0.306 4.266 3.960 -0.000 0.000 0.235 168 G C -0.155 174.758 174.900 0.023 0.000 1.266 168 G CA -0.690 44.432 45.100 0.036 0.000 0.847 168 G HN 0.383 nan 8.290 nan 0.000 0.583 169 L N 0.345 121.583 121.223 0.024 0.000 2.399 169 L HA 0.449 4.788 4.340 -0.000 0.000 0.266 169 L C 0.212 177.121 176.870 0.064 0.000 1.114 169 L CA -0.501 54.356 54.840 0.027 0.000 0.804 169 L CB 1.081 43.211 42.059 0.118 0.000 1.146 169 L HN 0.237 nan 8.230 nan 0.000 0.451 170 L N 1.346 122.593 121.223 0.040 0.000 2.362 170 L HA 0.709 5.049 4.340 -0.000 0.000 0.275 170 L C 0.224 177.175 176.870 0.135 0.000 0.998 170 L CA -0.264 54.640 54.840 0.107 0.000 0.820 170 L CB 1.831 43.930 42.059 0.067 0.000 1.270 170 L HN 0.720 nan 8.230 nan 0.000 0.415 171 G N 0.657 109.566 108.800 0.181 0.000 3.176 171 G HA2 0.649 4.608 3.960 -0.000 0.000 0.272 171 G HA3 0.649 4.608 3.960 -0.000 0.000 0.272 171 G C -1.777 173.170 174.900 0.079 0.000 1.349 171 G CA -0.554 44.626 45.100 0.134 0.000 0.953 171 G HN 0.687 nan 8.290 nan 0.000 0.559 172 C N -0.032 119.253 119.300 -0.024 0.000 3.158 172 C HA 0.540 5.000 4.460 -0.000 0.000 0.428 172 C C -0.325 174.629 174.990 -0.060 0.000 0.985 172 C CA -0.543 58.475 59.018 0.000 0.000 1.240 172 C CB 0.123 27.887 27.740 0.040 0.000 1.615 172 C HN 0.858 nan 8.230 nan 0.000 0.570 173 T N 7.315 121.855 114.554 -0.023 0.000 2.814 173 T HA 0.351 4.701 4.350 -0.000 0.000 0.297 173 T C 0.724 175.425 174.700 0.001 0.000 0.956 173 T CA -0.175 61.922 62.100 -0.005 0.000 1.123 173 T CB 0.229 69.127 68.868 0.049 0.000 0.902 173 T HN 0.584 nan 8.240 nan 0.000 0.528 174 I N 3.950 124.506 120.570 -0.023 0.000 2.752 174 I HA 0.169 4.339 4.170 -0.000 0.000 0.287 174 I C 0.726 176.829 176.117 -0.022 0.000 1.188 174 I CA 0.270 61.501 61.300 -0.116 0.000 1.427 174 I CB -0.090 37.621 38.000 -0.481 0.000 1.365 174 I HN 0.473 nan 8.210 nan 0.000 0.585 175 K N 6.000 126.385 120.400 -0.024 0.000 2.482 175 K HA 0.558 4.877 4.320 -0.000 0.000 0.257 175 K C -2.458 174.153 176.600 0.018 0.000 0.969 175 K CA -1.621 54.683 56.287 0.028 0.000 0.842 175 K CB 1.555 34.081 32.500 0.044 0.000 1.359 175 K HN 0.276 nan 8.250 nan 0.000 0.441 176 P HA 0.124 nan 4.420 nan 0.000 0.270 176 P C 0.309 177.641 177.300 0.053 0.000 1.223 176 P CA -0.139 62.978 63.100 0.028 0.000 0.785 176 P CB 0.840 32.538 31.700 -0.003 0.000 0.923 177 K N 0.177 120.604 120.400 0.046 0.000 2.015 177 K HA -0.102 4.218 4.320 -0.000 0.000 0.216 177 K C 0.796 177.445 176.600 0.082 0.000 1.052 177 K CA 1.327 57.658 56.287 0.074 0.000 0.937 177 K CB -0.353 32.174 32.500 0.045 0.000 0.719 177 K HN 0.392 nan 8.250 nan 0.000 0.446 178 L N -2.018 119.175 121.223 -0.051 0.000 2.333 178 L HA 0.425 4.765 4.340 -0.000 0.000 0.263 178 L C 0.733 177.253 176.870 -0.583 0.000 1.014 178 L CA -0.339 54.326 54.840 -0.291 0.000 0.820 178 L CB 2.214 44.130 42.059 -0.239 0.000 1.352 178 L HN 0.520 nan 8.230 nan 0.000 0.421 179 G N 1.094 109.076 108.800 -1.363 0.000 2.201 179 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.212 179 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.212 179 G C -0.210 174.520 174.900 -0.283 0.000 0.994 179 G CA -0.563 44.024 45.100 -0.856 0.000 0.644 179 G HN 0.311 nan 8.290 nan 0.000 0.508 180 L N 2.365 123.556 121.223 -0.054 0.000 2.375 180 L HA 0.568 4.908 4.340 -0.000 0.000 0.271 180 L C 1.479 178.544 176.870 0.324 0.000 1.107 180 L CA -0.106 54.844 54.840 0.184 0.000 0.806 180 L CB 1.452 43.699 42.059 0.312 0.000 1.146 180 L HN 0.441 nan 8.230 nan 0.000 0.447 181 S N 1.530 117.364 115.700 0.223 0.000 2.614 181 S HA 0.298 4.768 4.470 -0.000 0.000 0.265 181 S C 1.069 175.772 174.600 0.172 0.000 1.303 181 S CA -0.148 58.163 58.200 0.185 0.000 1.000 181 S CB 1.525 64.778 63.200 0.087 0.000 0.935 181 S HN 0.704 nan 8.310 nan 0.000 0.551 182 A N 1.465 124.363 122.820 0.130 0.000 1.883 182 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 182 A C 2.108 179.680 177.584 -0.020 0.000 1.186 182 A CA 2.144 54.287 52.037 0.176 0.000 0.624 182 A CB -1.126 18.068 19.000 0.323 0.000 0.822 182 A HN 0.928 nan 8.150 nan 0.000 0.444 183 K N 0.282 120.436 120.400 -0.411 0.000 2.057 183 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 183 K C 1.617 178.032 176.600 -0.308 0.000 1.049 183 K CA 1.932 57.702 56.287 -0.862 0.000 0.931 183 K CB -0.308 31.720 32.500 -0.787 0.000 0.714 183 K HN 0.438 nan 8.250 nan 0.000 0.440 184 N N -0.557 118.083 118.700 -0.099 0.000 2.331 184 N HA -0.129 4.611 4.740 -0.000 0.000 0.180 184 N C 1.469 177.015 175.510 0.061 0.000 1.019 184 N CA 0.859 53.906 53.050 -0.006 0.000 0.881 184 N CB -0.272 38.234 38.487 0.032 0.000 0.972 184 N HN 0.240 nan 8.380 nan 0.000 0.435 185 Y N 1.361 121.662 120.300 0.002 0.000 2.145 185 Y HA -0.106 4.444 4.550 -0.000 0.000 0.286 185 Y C 2.469 178.386 175.900 0.030 0.000 1.145 185 Y CA 1.826 59.955 58.100 0.049 0.000 1.148 185 Y CB -0.668 37.850 38.460 0.097 0.000 0.981 185 Y HN 0.058 nan 8.280 nan 0.000 0.507 186 G N -0.705 108.196 108.800 0.169 0.000 2.422 186 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 186 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 186 G C 1.765 176.725 174.900 0.101 0.000 1.146 186 G CA 0.812 45.990 45.100 0.131 0.000 0.769 186 G HN 0.321 nan 8.290 nan 0.000 0.547 187 R N 0.545 121.076 120.500 0.052 0.000 2.082 187 R HA -0.065 4.275 4.340 -0.000 0.000 0.234 187 R C 2.872 179.223 176.300 0.084 0.000 1.136 187 R CA 1.777 57.927 56.100 0.084 0.000 0.935 187 R CB -0.490 29.825 30.300 0.024 0.000 0.842 187 R HN 0.266 nan 8.270 nan 0.000 0.430 188 A N 0.203 123.025 122.820 0.005 0.000 1.908 188 A HA -0.124 4.195 4.320 -0.000 0.000 0.218 188 A C 2.325 179.887 177.584 -0.037 0.000 1.181 188 A CA 1.755 53.767 52.037 -0.042 0.000 0.627 188 A CB -0.664 18.264 19.000 -0.121 0.000 0.818 188 A HN 0.263 nan 8.150 nan 0.000 0.445 189 V N -1.070 118.830 119.914 -0.024 0.000 2.255 189 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 189 V C 2.412 178.553 176.094 0.078 0.000 1.051 189 V CA 2.284 64.601 62.300 0.028 0.000 1.018 189 V CB -1.093 30.737 31.823 0.011 0.000 0.641 189 V HN 0.764 nan 8.190 nan 0.000 0.445 190 Y N 1.467 121.774 120.300 0.013 0.000 2.128 190 Y HA -0.220 4.330 4.550 -0.000 0.000 0.284 190 Y C 2.542 178.449 175.900 0.012 0.000 1.154 190 Y CA 1.989 60.104 58.100 0.024 0.000 1.149 190 Y CB -0.401 38.080 38.460 0.035 0.000 0.976 190 Y HN 0.283 nan 8.280 nan 0.000 0.505 191 E N -0.319 119.661 120.200 -0.366 0.000 2.110 191 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 191 E C 2.489 178.931 176.600 -0.263 0.000 0.988 191 E CA 1.326 57.463 56.400 -0.438 0.000 0.804 191 E CB -0.886 28.698 29.700 -0.193 0.000 0.745 191 E HN 0.556 nan 8.360 nan 0.000 0.458 192 C N 0.780 119.995 119.300 -0.142 0.000 2.442 192 C HA -0.100 4.360 4.460 -0.000 0.000 0.279 192 C C 2.892 177.827 174.990 -0.092 0.000 1.237 192 C CA 0.475 59.441 59.018 -0.087 0.000 1.722 192 C CB -1.181 26.538 27.740 -0.034 0.000 2.056 192 C HN 0.365 nan 8.230 nan 0.000 0.469 193 L N 1.190 122.372 121.223 -0.068 0.000 2.083 193 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 193 L C 2.869 179.689 176.870 -0.083 0.000 1.083 193 L CA 1.786 56.599 54.840 -0.045 0.000 0.752 193 L CB -0.732 41.341 42.059 0.024 0.000 0.899 193 L HN 0.498 nan 8.230 nan 0.000 0.433 194 R N 0.381 120.782 120.500 -0.164 0.000 2.237 194 R HA -0.053 4.287 4.340 -0.000 0.000 0.219 194 R C 1.812 178.033 176.300 -0.133 0.000 1.080 194 R CA 1.213 57.215 56.100 -0.164 0.000 0.995 194 R CB -0.567 29.532 30.300 -0.334 0.000 0.875 194 R HN 0.255 nan 8.270 nan 0.000 0.462 195 G N -0.540 108.179 108.800 -0.136 0.000 2.939 195 G HA2 0.271 4.231 3.960 -0.000 0.000 0.210 195 G HA3 0.271 4.231 3.960 -0.000 0.000 0.210 195 G C 0.859 175.707 174.900 -0.086 0.000 1.160 195 G CA 0.233 45.266 45.100 -0.111 0.000 0.770 195 G HN 0.560 nan 8.290 nan 0.000 0.543 196 G N -0.671 108.082 108.800 -0.079 0.000 2.273 196 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.162 196 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.162 196 G C 0.255 175.110 174.900 -0.075 0.000 1.006 196 G CA -0.377 44.681 45.100 -0.069 0.000 0.704 196 G HN 0.319 nan 8.290 nan 0.000 0.487 197 L N 1.421 122.601 121.223 -0.072 0.000 2.426 197 L HA 0.332 4.672 4.340 -0.000 0.000 0.271 197 L C 1.158 177.957 176.870 -0.120 0.000 1.169 197 L CA -0.538 54.262 54.840 -0.066 0.000 0.836 197 L CB 0.578 42.621 42.059 -0.027 0.000 1.112 197 L HN 0.029 nan 8.230 nan 0.000 0.465 198 D N 1.591 121.867 120.400 -0.207 0.000 2.162 198 D HA 0.020 4.660 4.640 -0.000 0.000 0.203 198 D C -0.076 175.911 176.300 -0.523 0.000 0.967 198 D CA 1.515 55.242 54.000 -0.456 0.000 0.840 198 D CB 0.284 40.648 40.800 -0.727 0.000 0.972 198 D HN 0.143 nan 8.370 nan 0.000 0.482 199 F N -0.025 119.915 119.950 -0.017 0.000 2.588 199 F HA 0.328 4.855 4.527 -0.000 0.000 0.314 199 F C 0.674 176.356 175.800 -0.196 0.000 1.069 199 F CA -1.026 56.911 58.000 -0.105 0.000 0.931 199 F CB 1.772 40.681 39.000 -0.150 0.000 1.260 199 F HN -0.332 nan 8.300 nan 0.000 0.465 203 D N 1.162 121.702 120.400 0.234 0.000 2.400 203 D HA -0.023 4.616 4.640 -0.000 0.000 0.238 203 D C 1.563 177.866 176.300 0.004 0.000 1.157 203 D CA 0.061 54.128 54.000 0.110 0.000 0.889 203 D CB 1.052 41.927 40.800 0.125 0.000 1.199 203 D HN 0.414 nan 8.370 nan 0.000 0.436 204 E N 2.630 122.716 120.200 -0.191 0.000 2.147 204 E HA -0.292 4.058 4.350 -0.000 0.000 0.199 204 E C 0.740 177.238 176.600 -0.170 0.000 1.005 204 E CA 1.436 57.597 56.400 -0.399 0.000 0.810 204 E CB -0.466 28.588 29.700 -1.076 0.000 0.736 204 E HN 0.528 nan 8.360 nan 0.000 0.460 205 N N 0.968 119.620 118.700 -0.081 0.000 2.322 205 N HA 0.007 4.747 4.740 -0.000 0.000 0.194 205 N C -0.025 175.525 175.510 0.066 0.000 1.126 205 N CA -0.059 52.985 53.050 -0.011 0.000 0.845 205 N CB 0.139 38.628 38.487 0.004 0.000 0.976 205 N HN -0.028 nan 8.380 nan 0.000 0.475 206 V N 1.897 121.865 119.914 0.090 0.000 2.387 206 V HA 0.170 4.290 4.120 -0.000 0.000 0.260 206 V C 0.289 176.437 176.094 0.089 0.000 1.054 206 V CA -0.168 62.209 62.300 0.128 0.000 0.967 206 V CB -0.431 31.474 31.823 0.137 0.000 1.036 206 V HN 0.319 nan 8.190 nan 0.000 0.481 207 N N 2.620 121.357 118.700 0.061 0.000 3.039 207 N HA 0.249 4.989 4.740 -0.000 0.000 0.188 207 N C -0.167 175.374 175.510 0.052 0.000 1.310 207 N CA -0.344 52.734 53.050 0.046 0.000 1.111 207 N CB 0.546 39.033 38.487 0.001 0.000 1.311 207 N HN 0.506 nan 8.380 nan 0.000 0.490 208 S N 0.111 115.814 115.700 0.005 0.000 2.614 208 S HA 0.493 4.963 4.470 -0.000 0.000 0.288 208 S C -1.754 172.769 174.600 -0.128 0.000 1.137 208 S CA -0.404 57.800 58.200 0.006 0.000 0.992 208 S CB 1.317 64.634 63.200 0.196 0.000 1.026 208 S HN 0.269 nan 8.310 nan 0.000 0.486 209 Q N 3.166 122.770 119.800 -0.327 0.000 2.565 209 Q HA 0.463 4.803 4.340 -0.000 0.000 0.294 209 Q C -2.159 173.556 176.000 -0.475 0.000 1.005 209 Q CA -1.676 53.858 55.803 -0.448 0.000 0.771 209 Q CB 1.799 30.082 28.738 -0.758 0.000 1.486 209 Q HN 0.284 nan 8.270 nan 0.000 0.422 210 P HA -0.184 nan 4.420 nan 0.000 0.216 210 P C 0.614 177.843 177.300 -0.118 0.000 1.150 210 P CA 1.387 64.406 63.100 -0.135 0.000 0.843 210 P CB 0.040 31.736 31.700 -0.007 0.000 0.787 211 F N -2.388 117.573 119.950 0.018 0.000 2.407 211 F HA 0.228 4.755 4.527 -0.000 0.000 0.299 211 F C 0.977 176.789 175.800 0.021 0.000 1.097 211 F CA 0.262 58.275 58.000 0.022 0.000 1.422 211 F CB -0.631 38.387 39.000 0.030 0.000 1.067 211 F HN -0.173 nan 8.300 nan 0.000 0.539 212 M N 1.261 120.574 119.600 -0.479 0.000 2.331 212 M HA 0.331 4.811 4.480 -0.000 0.000 0.228 212 M C -1.402 174.730 176.300 -0.280 0.000 0.986 212 M CA -0.529 54.637 55.300 -0.224 0.000 0.972 212 M CB 0.993 33.568 32.600 -0.042 0.000 2.359 212 M HN -0.206 nan 8.290 nan 0.000 0.459 213 R N 3.776 124.173 120.500 -0.171 0.000 2.490 213 R HA 0.225 4.564 4.340 -0.000 0.000 0.278 213 R C 1.091 177.300 176.300 -0.153 0.000 1.069 213 R CA -0.131 55.866 56.100 -0.172 0.000 1.080 213 R CB 0.536 30.711 30.300 -0.208 0.000 1.030 213 R HN 0.950 nan 8.270 nan 0.000 0.491 214 W N 4.408 125.591 121.300 -0.195 0.000 2.335 214 W HA -0.185 4.475 4.660 -0.000 0.000 0.311 214 W C 1.172 177.486 176.519 -0.341 0.000 1.213 214 W CA 0.808 58.002 57.345 -0.252 0.000 1.274 214 W CB -0.512 28.717 29.460 -0.385 0.000 1.148 214 W HN 0.561 nan 8.180 nan 0.000 0.498 215 R N 0.972 120.661 120.500 -1.351 0.000 2.092 215 R HA -0.138 4.202 4.340 -0.000 0.000 0.231 215 R C 1.934 177.968 176.300 -0.443 0.000 1.119 215 R CA 1.979 57.354 56.100 -1.209 0.000 0.970 215 R CB -0.408 28.958 30.300 -1.556 0.000 0.864 215 R HN -0.022 nan 8.270 nan 0.000 0.440 216 D N 0.043 120.246 120.400 -0.328 0.000 2.116 216 D HA -0.235 4.405 4.640 -0.000 0.000 0.193 216 D C 1.853 178.212 176.300 0.098 0.000 0.998 216 D CA 1.281 55.219 54.000 -0.103 0.000 0.836 216 D CB -0.223 40.574 40.800 -0.006 0.000 0.951 216 D HN 0.257 nan 8.370 nan 0.000 0.449 217 R N -0.330 120.263 120.500 0.155 0.000 2.073 217 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 217 R C 2.316 178.834 176.300 0.364 0.000 1.134 217 R CA 1.074 57.343 56.100 0.282 0.000 0.952 217 R CB -0.373 30.055 30.300 0.214 0.000 0.850 217 R HN 0.037 nan 8.270 nan 0.000 0.433 218 F N 0.743 120.739 119.950 0.077 0.000 2.126 218 F HA -0.161 4.365 4.527 -0.000 0.000 0.299 218 F C 2.073 177.892 175.800 0.031 0.000 1.096 218 F CA 0.945 59.008 58.000 0.106 0.000 1.255 218 F CB -0.696 38.412 39.000 0.180 0.000 0.997 218 F HN 0.053 nan 8.300 nan 0.000 0.479 219 L N -1.568 119.728 121.223 0.122 0.000 2.056 219 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 219 L C 2.284 179.090 176.870 -0.106 0.000 1.078 219 L CA 1.519 56.312 54.840 -0.078 0.000 0.749 219 L CB -1.096 40.801 42.059 -0.271 0.000 0.901 219 L HN -0.044 nan 8.230 nan 0.000 0.433 220 F N -1.432 118.552 119.950 0.056 0.000 2.186 220 F HA -0.164 4.363 4.527 -0.000 0.000 0.299 220 F C 2.418 178.244 175.800 0.043 0.000 1.090 220 F CA 1.029 59.057 58.000 0.046 0.000 1.307 220 F CB -0.996 38.041 39.000 0.061 0.000 1.019 220 F HN -0.189 nan 8.300 nan 0.000 0.489 221 V N -0.149 119.889 119.914 0.207 0.000 2.295 221 V HA -0.301 3.819 4.120 -0.000 0.000 0.246 221 V C 2.606 178.741 176.094 0.068 0.000 1.049 221 V CA 1.713 64.047 62.300 0.056 0.000 1.024 221 V CB -1.319 30.427 31.823 -0.129 0.000 0.648 221 V HN 0.346 nan 8.190 nan 0.000 0.447 222 A N -0.417 122.449 122.820 0.076 0.000 1.917 222 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 222 A C 2.179 179.825 177.584 0.104 0.000 1.182 222 A CA 1.896 53.984 52.037 0.086 0.000 0.633 222 A CB -0.448 18.591 19.000 0.064 0.000 0.819 222 A HN 0.550 nan 8.150 nan 0.000 0.448 223 E N -0.192 120.058 120.200 0.082 0.000 2.077 223 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 223 E C 2.361 179.044 176.600 0.140 0.000 0.989 223 E CA 1.254 57.704 56.400 0.083 0.000 0.800 223 E CB -0.602 29.142 29.700 0.073 0.000 0.746 223 E HN 0.605 nan 8.360 nan 0.000 0.452 224 A N 1.248 124.157 122.820 0.148 0.000 1.898 224 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 224 A C 2.342 180.050 177.584 0.207 0.000 1.181 224 A CA 0.937 53.080 52.037 0.177 0.000 0.620 224 A CB -0.625 18.487 19.000 0.187 0.000 0.819 224 A HN 0.151 nan 8.150 nan 0.000 0.442 225 I N -1.932 118.745 120.570 0.178 0.000 2.163 225 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 225 I C 2.493 178.718 176.117 0.180 0.000 1.085 225 I CA 2.048 63.453 61.300 0.174 0.000 1.347 225 I CB -0.429 37.672 38.000 0.167 0.000 1.044 225 I HN 0.574 nan 8.210 nan 0.000 0.408 226 Y N 1.690 122.030 120.300 0.067 0.000 2.145 226 Y HA -0.298 4.252 4.550 -0.000 0.000 0.286 226 Y C 2.690 178.617 175.900 0.045 0.000 1.145 226 Y CA 1.902 60.030 58.100 0.047 0.000 1.148 226 Y CB -0.141 38.337 38.460 0.030 0.000 0.981 226 Y HN -0.047 nan 8.280 nan 0.000 0.507 227 K N 0.165 120.706 120.400 0.235 0.000 2.032 227 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 227 K C 2.212 178.886 176.600 0.124 0.000 1.048 227 K CA 1.333 57.678 56.287 0.097 0.000 0.927 227 K CB -0.437 32.012 32.500 -0.085 0.000 0.712 227 K HN 0.422 nan 8.250 nan 0.000 0.441 228 A N 0.996 123.959 122.820 0.239 0.000 1.930 228 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 228 A C 2.073 179.695 177.584 0.063 0.000 1.175 228 A CA 1.665 53.834 52.037 0.219 0.000 0.627 228 A CB -0.590 18.524 19.000 0.190 0.000 0.815 228 A HN 0.567 nan 8.150 nan 0.000 0.443 229 Q N -0.531 119.272 119.800 0.005 0.000 2.084 229 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 229 Q C 2.137 178.074 176.000 -0.107 0.000 0.978 229 Q CA 1.611 57.379 55.803 -0.059 0.000 0.844 229 Q CB -0.346 28.343 28.738 -0.082 0.000 0.898 229 Q HN 0.595 nan 8.270 nan 0.000 0.426 230 A N 0.662 123.372 122.820 -0.182 0.000 1.930 230 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 230 A C 1.888 179.432 177.584 -0.067 0.000 1.175 230 A CA 1.591 53.519 52.037 -0.181 0.000 0.627 230 A CB -0.617 18.213 19.000 -0.283 0.000 0.815 230 A HN 0.630 nan 8.150 nan 0.000 0.443 231 E N -0.313 119.881 120.200 -0.009 0.000 2.072 231 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 231 E C 1.979 178.585 176.600 0.011 0.000 0.982 231 E CA 1.765 58.184 56.400 0.031 0.000 0.803 231 E CB -0.086 29.681 29.700 0.112 0.000 0.755 231 E HN 0.705 nan 8.360 nan 0.000 0.453 232 T N -3.750 110.804 114.554 -0.000 0.000 3.051 232 T HA 0.233 4.583 4.350 -0.000 0.000 0.255 232 T C 1.566 176.253 174.700 -0.021 0.000 1.085 232 T CA 0.609 62.702 62.100 -0.013 0.000 1.109 232 T CB 0.407 69.262 68.868 -0.022 0.000 0.921 232 T HN 0.342 nan 8.240 nan 0.000 0.488 233 G N 1.208 109.989 108.800 -0.031 0.000 2.162 233 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.260 233 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.260 233 G C -0.263 174.616 174.900 -0.036 0.000 0.976 233 G CA 0.257 45.337 45.100 -0.033 0.000 0.655 233 G HN 0.673 nan 8.290 nan 0.000 0.533 234 E N -0.631 119.543 120.200 -0.042 0.000 2.227 234 E HA 0.532 4.881 4.350 -0.000 0.000 0.268 234 E C 0.092 176.656 176.600 -0.060 0.000 0.907 234 E CA -1.099 55.270 56.400 -0.052 0.000 0.786 234 E CB 2.558 32.221 29.700 -0.061 0.000 1.191 234 E HN 0.056 nan 8.360 nan 0.000 0.411 235 V N 3.712 123.585 119.914 -0.068 0.000 2.529 235 V HA 0.008 4.127 4.120 -0.000 0.000 0.292 235 V C 0.222 176.266 176.094 -0.083 0.000 1.028 235 V CA 0.416 62.680 62.300 -0.060 0.000 1.074 235 V CB -0.002 31.787 31.823 -0.057 0.000 0.958 235 V HN 0.490 nan 8.190 nan 0.000 0.481 236 K N 3.210 123.591 120.400 -0.031 0.000 2.281 236 K HA 0.843 5.163 4.320 -0.000 0.000 0.242 236 K C 0.085 176.744 176.600 0.098 0.000 0.971 236 K CA -0.408 55.872 56.287 -0.012 0.000 0.834 236 K CB 2.344 34.860 32.500 0.026 0.000 1.181 236 K HN 0.828 nan 8.250 nan 0.000 0.435 237 G N 0.038 108.960 108.800 0.204 0.000 2.684 237 G HA2 0.406 4.366 3.960 -0.000 0.000 0.290 237 G HA3 0.406 4.366 3.960 -0.000 0.000 0.290 237 G C -1.896 173.249 174.900 0.407 0.000 1.425 237 G CA -0.263 45.067 45.100 0.384 0.000 0.822 237 G HN 0.553 nan 8.290 nan 0.000 0.482 238 H N 0.167 119.359 119.070 0.204 0.000 2.934 238 H HA 0.318 4.874 4.556 -0.000 0.000 0.340 238 H C -1.223 174.152 175.328 0.078 0.000 1.008 238 H CA -0.596 55.490 56.048 0.064 0.000 1.317 238 H CB 1.355 31.152 29.762 0.058 0.000 1.670 238 H HN 0.385 nan 8.280 nan 0.000 0.516 239 Y N 5.579 125.646 120.300 -0.388 0.000 2.680 239 Y HA 0.143 4.693 4.550 -0.000 0.000 0.356 239 Y C 0.702 176.508 175.900 -0.156 0.000 1.122 239 Y CA -0.681 57.255 58.100 -0.274 0.000 1.509 239 Y CB -0.664 37.591 38.460 -0.342 0.000 1.245 239 Y HN 0.312 nan 8.280 nan 0.000 0.513 240 L N 3.641 124.909 121.223 0.075 0.000 2.360 240 L HA 0.152 4.492 4.340 -0.000 0.000 0.276 240 L C 0.664 177.536 176.870 0.004 0.000 1.121 240 L CA 0.029 54.807 54.840 -0.103 0.000 0.845 240 L CB 0.418 42.033 42.059 -0.739 0.000 1.143 240 L HN 0.628 nan 8.230 nan 0.000 0.452 241 N N 1.764 120.552 118.700 0.146 0.000 2.420 241 N HA 0.205 4.945 4.740 -0.000 0.000 0.262 241 N C 0.554 176.208 175.510 0.240 0.000 1.144 241 N CA -0.117 53.047 53.050 0.190 0.000 0.952 241 N CB 1.117 39.707 38.487 0.171 0.000 1.081 241 N HN 0.772 nan 8.380 nan 0.000 0.480 242 A N 2.684 125.602 122.820 0.164 0.000 2.275 242 A HA 0.068 4.388 4.320 -0.000 0.000 0.212 242 A C 0.675 178.287 177.584 0.047 0.000 1.201 242 A CA 0.014 52.093 52.037 0.069 0.000 0.843 242 A CB 0.012 19.014 19.000 0.003 0.000 0.873 242 A HN 0.594 nan 8.150 nan 0.000 0.492 243 T N 1.853 116.494 114.554 0.145 0.000 2.866 243 T HA 0.430 4.779 4.350 -0.000 0.000 0.293 243 T C 0.221 174.922 174.700 0.003 0.000 1.005 243 T CA 0.952 63.131 62.100 0.131 0.000 1.162 243 T CB 0.533 69.419 68.868 0.029 0.000 0.968 243 T HN 0.700 nan 8.240 nan 0.000 0.530 244 A N 2.536 125.351 122.820 -0.009 0.000 2.583 244 A HA 0.808 5.128 4.320 -0.000 0.000 0.289 244 A C 1.293 178.848 177.584 -0.048 0.000 1.151 244 A CA -0.305 51.688 52.037 -0.074 0.000 0.695 244 A CB 0.716 19.623 19.000 -0.154 0.000 1.290 244 A HN 0.750 nan 8.150 nan 0.000 0.419 245 G N -0.728 108.037 108.800 -0.058 0.000 2.448 245 G HA2 0.336 4.296 3.960 -0.000 0.000 0.218 245 G HA3 0.336 4.296 3.960 -0.000 0.000 0.218 245 G C 0.685 175.563 174.900 -0.038 0.000 1.135 245 G CA 1.774 46.849 45.100 -0.041 0.000 0.784 245 G HN 1.592 nan 8.290 nan 0.000 0.543 246 T N -4.303 110.220 114.554 -0.053 0.000 2.906 246 T HA 0.301 4.650 4.350 -0.000 0.000 0.295 246 T C 0.913 175.573 174.700 -0.067 0.000 1.075 246 T CA -0.274 61.797 62.100 -0.049 0.000 1.005 246 T CB 1.395 70.234 68.868 -0.047 0.000 1.136 246 T HN -0.081 nan 8.240 nan 0.000 0.498 247 C N 0.764 120.029 119.300 -0.059 0.000 2.413 247 C HA -0.037 4.423 4.460 -0.000 0.000 0.277 247 C C 2.615 177.542 174.990 -0.106 0.000 1.265 247 C CA 1.036 60.006 59.018 -0.079 0.000 1.752 247 C CB -1.339 26.366 27.740 -0.058 0.000 1.998 247 C HN 1.016 nan 8.230 nan 0.000 0.489 248 E N 0.642 120.789 120.200 -0.089 0.000 2.106 248 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 248 E C 2.247 178.768 176.600 -0.132 0.000 0.984 248 E CA 0.854 57.197 56.400 -0.095 0.000 0.806 248 E CB -0.254 29.408 29.700 -0.063 0.000 0.750 248 E HN 0.498 nan 8.360 nan 0.000 0.458 249 E N 0.209 120.324 120.200 -0.142 0.000 2.047 249 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 249 E C 1.987 178.403 176.600 -0.307 0.000 0.987 249 E CA 0.679 56.951 56.400 -0.213 0.000 0.799 249 E CB -0.291 29.295 29.700 -0.189 0.000 0.752 249 E HN 0.295 nan 8.360 nan 0.000 0.449 250 M N -0.202 119.256 119.600 -0.238 0.000 2.088 250 M HA -0.245 4.235 4.480 -0.000 0.000 0.256 250 M C 1.978 178.100 176.300 -0.296 0.000 1.071 250 M CA 1.594 56.747 55.300 -0.246 0.000 1.097 250 M CB -0.051 32.434 32.600 -0.190 0.000 1.315 250 M HN 0.061 nan 8.290 nan 0.000 0.406 251 M N -0.199 119.232 119.600 -0.282 0.000 2.117 251 M HA -0.195 4.284 4.480 -0.000 0.000 0.262 251 M C 2.022 178.124 176.300 -0.330 0.000 1.065 251 M CA 1.704 56.794 55.300 -0.350 0.000 1.114 251 M CB -1.239 31.191 32.600 -0.283 0.000 1.361 251 M HN 0.278 nan 8.290 nan 0.000 0.408 252 K N -0.087 120.154 120.400 -0.264 0.000 2.074 252 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 252 K C 2.132 178.560 176.600 -0.287 0.000 1.048 252 K CA 1.494 57.658 56.287 -0.205 0.000 0.926 252 K CB 0.042 32.443 32.500 -0.165 0.000 0.713 252 K HN 0.266 nan 8.250 nan 0.000 0.444 253 R N -0.442 119.732 120.500 -0.544 0.000 2.073 253 R HA -0.046 4.293 4.340 -0.000 0.000 0.229 253 R C 2.362 178.645 176.300 -0.030 0.000 1.120 253 R CA 1.140 56.871 56.100 -0.616 0.000 0.967 253 R CB -0.306 29.520 30.300 -0.790 0.000 0.862 253 R HN 0.173 nan 8.270 nan 0.000 0.436 254 A N 1.221 123.966 122.820 -0.126 0.000 1.883 254 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 254 A C 1.420 179.016 177.584 0.019 0.000 1.186 254 A CA 0.989 52.985 52.037 -0.069 0.000 0.624 254 A CB -0.584 18.221 19.000 -0.325 0.000 0.822 254 A HN 0.063 nan 8.150 nan 0.000 0.444 258 K N 0.841 121.369 120.400 0.213 0.000 2.032 258 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 258 K C 1.553 178.238 176.600 0.143 0.000 1.048 258 K CA 1.864 58.260 56.287 0.182 0.000 0.927 258 K CB -0.163 32.481 32.500 0.239 0.000 0.712 258 K HN 0.594 nan 8.250 nan 0.000 0.441 259 E N 0.832 121.123 120.200 0.150 0.000 2.110 259 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 259 E C 2.150 178.808 176.600 0.098 0.000 0.988 259 E CA 0.937 57.405 56.400 0.113 0.000 0.804 259 E CB -0.264 29.501 29.700 0.108 0.000 0.745 259 E HN 0.397 nan 8.360 nan 0.000 0.458 260 L N 0.115 121.410 121.223 0.119 0.000 2.465 260 L HA 0.038 4.377 4.340 -0.000 0.000 0.224 260 L C 1.590 178.514 176.870 0.089 0.000 1.145 260 L CA 0.616 55.514 54.840 0.098 0.000 0.834 260 L CB -0.471 41.661 42.059 0.122 0.000 0.944 260 L HN 0.284 nan 8.230 nan 0.000 0.451 261 G N 0.487 109.344 108.800 0.094 0.000 2.148 261 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.254 261 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.254 261 G C 0.443 175.399 174.900 0.094 0.000 0.981 261 G CA 0.290 45.442 45.100 0.087 0.000 0.670 261 G HN 0.308 nan 8.290 nan 0.000 0.528 262 V N -1.387 118.586 119.914 0.100 0.000 2.655 262 V HA 0.577 4.697 4.120 -0.000 0.000 0.300 262 V C 0.016 176.167 176.094 0.094 0.000 1.044 262 V CA -0.647 61.714 62.300 0.102 0.000 1.095 262 V CB 1.172 33.049 31.823 0.091 0.000 0.952 262 V HN 0.100 nan 8.190 nan 0.000 0.485 263 P HA 0.236 nan 4.420 nan 0.000 0.236 263 P C 0.143 177.477 177.300 0.055 0.000 1.177 263 P CA 0.680 63.827 63.100 0.078 0.000 0.773 263 P CB 0.416 32.179 31.700 0.104 0.000 0.878 264 I N -0.225 120.389 120.570 0.072 0.000 2.752 264 I HA 0.392 4.562 4.170 -0.000 0.000 0.295 264 I C -1.141 174.990 176.117 0.024 0.000 1.219 264 I CA -1.636 59.668 61.300 0.007 0.000 1.030 264 I CB 2.376 40.345 38.000 -0.053 0.000 1.259 264 I HN -0.259 nan 8.210 nan 0.000 0.423 265 I N 4.240 124.800 120.570 -0.016 0.000 3.206 265 I HA 0.693 4.863 4.170 -0.000 0.000 0.313 265 I C -0.972 175.147 176.117 0.003 0.000 1.103 265 I CA -0.996 60.314 61.300 0.016 0.000 0.985 265 I CB 2.208 40.233 38.000 0.043 0.000 1.240 265 I HN 0.714 nan 8.210 nan 0.000 0.464 266 M N 1.354 121.004 119.600 0.084 0.000 2.658 266 M HA 0.654 5.133 4.480 -0.000 0.000 0.295 266 M C -1.566 174.850 176.300 0.193 0.000 1.248 266 M CA -0.577 54.808 55.300 0.141 0.000 0.843 266 M CB 2.315 35.076 32.600 0.268 0.000 1.749 266 M HN 0.803 nan 8.290 nan 0.000 0.464 267 H N -0.370 118.735 119.070 0.058 0.000 2.974 267 H HA 0.456 5.012 4.556 -0.000 0.000 0.366 267 H C -2.042 173.328 175.328 0.070 0.000 1.155 267 H CA -0.524 55.547 56.048 0.038 0.000 1.186 267 H CB 1.812 31.578 29.762 0.007 0.000 1.799 267 H HN 0.767 nan 8.280 nan 0.000 0.541 268 D N 4.844 124.964 120.400 -0.466 0.000 2.441 268 D HA 0.013 4.653 4.640 -0.000 0.000 0.221 268 D C 0.746 176.722 176.300 -0.540 0.000 1.156 268 D CA -0.185 53.621 54.000 -0.324 0.000 0.896 268 D CB -0.061 40.596 40.800 -0.238 0.000 1.028 268 D HN 0.615 nan 8.370 nan 0.000 0.509 269 Y N 1.138 121.160 120.300 -0.463 0.000 2.352 269 Y HA -0.042 4.507 4.550 -0.000 0.000 0.292 269 Y C 1.289 176.907 175.900 -0.470 0.000 1.136 269 Y CA 0.859 58.706 58.100 -0.421 0.000 1.227 269 Y CB -0.458 37.838 38.460 -0.274 0.000 0.991 269 Y HN 0.234 nan 8.280 nan 0.000 0.545 270 L N 0.348 121.070 121.223 -0.833 0.000 2.202 270 L HA -0.027 4.313 4.340 -0.000 0.000 0.205 270 L C 2.584 179.207 176.870 -0.412 0.000 1.083 270 L CA 1.363 55.738 54.840 -0.775 0.000 0.790 270 L CB -0.693 40.921 42.059 -0.742 0.000 0.942 270 L HN 0.396 nan 8.230 nan 0.000 0.452 271 T N -3.543 110.823 114.554 -0.312 0.000 2.985 271 T HA 0.005 4.355 4.350 -0.000 0.000 0.266 271 T C 1.834 176.430 174.700 -0.174 0.000 1.076 271 T CA 0.825 62.803 62.100 -0.202 0.000 1.135 271 T CB -0.347 68.428 68.868 -0.156 0.000 0.890 271 T HN 0.314 nan 8.240 nan 0.000 0.480 272 G N 1.207 109.872 108.800 -0.225 0.000 2.411 272 G HA2 0.463 4.423 3.960 -0.000 0.000 0.213 272 G HA3 0.463 4.423 3.960 -0.000 0.000 0.213 272 G C 0.832 175.707 174.900 -0.041 0.000 1.166 272 G CA 0.168 45.213 45.100 -0.092 0.000 0.802 272 G HN 1.207 nan 8.290 nan 0.000 0.533 273 G N -1.760 106.960 108.800 -0.134 0.000 2.576 273 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.686 273 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.686 273 G C 0.124 174.984 174.900 -0.066 0.000 1.242 273 G CA -0.213 44.796 45.100 -0.152 0.000 0.819 273 G HN 0.078 nan 8.290 nan 0.000 0.655 274 F N 0.660 120.615 119.950 0.009 0.000 2.161 274 F HA -0.043 4.484 4.527 -0.000 0.000 0.300 274 F C 3.091 178.913 175.800 0.037 0.000 1.089 274 F CA 2.375 60.387 58.000 0.021 0.000 1.282 274 F CB -0.526 38.430 39.000 -0.074 0.000 1.010 274 F HN 0.556 nan 8.300 nan 0.000 0.485 275 T N -0.356 114.316 114.554 0.197 0.000 2.737 275 T HA -0.147 4.202 4.350 -0.000 0.000 0.265 275 T C 2.315 177.063 174.700 0.079 0.000 1.038 275 T CA 1.333 63.506 62.100 0.120 0.000 1.144 275 T CB -0.645 68.274 68.868 0.085 0.000 0.866 275 T HN 0.277 nan 8.240 nan 0.000 0.434 276 A N 2.061 124.922 122.820 0.068 0.000 1.902 276 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 276 A C 2.264 179.828 177.584 -0.033 0.000 1.181 276 A CA 1.625 53.669 52.037 0.011 0.000 0.623 276 A CB -0.799 18.226 19.000 0.042 0.000 0.818 276 A HN 0.527 nan 8.150 nan 0.000 0.443 277 N N -0.508 118.250 118.700 0.097 0.000 2.120 277 N HA -0.143 4.597 4.740 -0.000 0.000 0.188 277 N C 1.632 177.173 175.510 0.052 0.000 1.024 277 N CA 2.041 55.151 53.050 0.100 0.000 0.852 277 N CB -0.176 38.476 38.487 0.273 0.000 1.003 277 N HN 0.445 nan 8.380 nan 0.000 0.424 278 T N 0.115 114.728 114.554 0.098 0.000 2.708 278 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 278 T C 2.131 176.849 174.700 0.030 0.000 1.037 278 T CA 1.267 63.413 62.100 0.078 0.000 1.146 278 T CB -0.353 68.578 68.868 0.104 0.000 0.865 278 T HN 0.200 nan 8.240 nan 0.000 0.435 279 S N 1.316 117.024 115.700 0.012 0.000 2.365 279 S HA -0.095 4.374 4.470 -0.000 0.000 0.225 279 S C 1.942 176.542 174.600 -0.000 0.000 1.039 279 S CA 0.970 59.169 58.200 -0.001 0.000 1.033 279 S CB -0.558 62.628 63.200 -0.024 0.000 0.887 279 S HN 0.247 nan 8.310 nan 0.000 0.447 280 L N 1.695 122.880 121.223 -0.063 0.000 2.046 280 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 280 L C 2.381 179.263 176.870 0.020 0.000 1.077 280 L CA 1.894 56.692 54.840 -0.070 0.000 0.747 280 L CB -1.123 40.781 42.059 -0.257 0.000 0.896 280 L HN 0.254 nan 8.230 nan 0.000 0.432 281 A N -0.361 122.455 122.820 -0.008 0.000 1.908 281 A HA -0.208 4.111 4.320 -0.000 0.000 0.218 281 A C 2.283 179.859 177.584 -0.013 0.000 1.181 281 A CA 2.161 54.191 52.037 -0.012 0.000 0.627 281 A CB -0.882 18.105 19.000 -0.021 0.000 0.818 281 A HN 0.503 nan 8.150 nan 0.000 0.445 282 I N -2.152 118.422 120.570 0.008 0.000 2.226 282 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 282 I C 2.456 178.578 176.117 0.008 0.000 1.100 282 I CA 1.749 63.048 61.300 -0.002 0.000 1.374 282 I CB -0.400 37.606 38.000 0.010 0.000 1.057 282 I HN 0.545 nan 8.210 nan 0.000 0.413 283 Y N 0.928 121.200 120.300 -0.046 0.000 2.181 283 Y HA -0.325 4.225 4.550 -0.000 0.000 0.288 283 Y C 2.683 178.571 175.900 -0.021 0.000 1.146 283 Y CA 1.631 59.711 58.100 -0.033 0.000 1.164 283 Y CB -0.373 38.064 38.460 -0.039 0.000 0.982 283 Y HN 0.194 nan 8.280 nan 0.000 0.515 284 C N 0.010 119.335 119.300 0.043 0.000 2.440 284 C HA -0.099 4.361 4.460 -0.000 0.000 0.278 284 C C 2.727 177.669 174.990 -0.079 0.000 1.295 284 C CA 1.274 60.299 59.018 0.012 0.000 1.738 284 C CB -1.163 26.619 27.740 0.070 0.000 1.987 284 C HN 0.568 nan 8.230 nan 0.000 0.492 285 R N 1.867 122.275 120.500 -0.154 0.000 2.091 285 R HA -0.109 4.231 4.340 -0.000 0.000 0.238 285 R C 1.384 177.593 176.300 -0.151 0.000 1.136 285 R CA 2.008 57.977 56.100 -0.219 0.000 0.959 285 R CB -0.802 29.385 30.300 -0.187 0.000 0.856 285 R HN 0.434 nan 8.270 nan 0.000 0.437 286 D N -0.525 119.766 120.400 -0.182 0.000 2.347 286 D HA -0.013 4.627 4.640 -0.000 0.000 0.215 286 D C 0.347 176.516 176.300 -0.218 0.000 0.976 286 D CA 0.732 54.623 54.000 -0.183 0.000 0.884 286 D CB 0.079 40.763 40.800 -0.193 0.000 0.915 286 D HN 0.343 nan 8.370 nan 0.000 0.526 287 N N -0.801 117.736 118.700 -0.272 0.000 2.160 287 N HA 0.118 4.858 4.740 -0.000 0.000 0.226 287 N C 0.892 176.362 175.510 -0.067 0.000 1.256 287 N CA 0.372 53.283 53.050 -0.233 0.000 0.890 287 N CB 1.988 40.186 38.487 -0.482 0.000 1.116 287 N HN 0.072 nan 8.380 nan 0.000 0.517 288 G N 1.611 110.434 108.800 0.038 0.000 2.160 288 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.251 288 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.251 288 G C -0.055 174.893 174.900 0.081 0.000 1.008 288 G CA 0.014 45.200 45.100 0.143 0.000 0.724 288 G HN 0.261 nan 8.290 nan 0.000 0.514 289 L N 0.463 121.770 121.223 0.141 0.000 2.290 289 L HA 0.443 4.782 4.340 -0.000 0.000 0.284 289 L C 1.240 178.190 176.870 0.133 0.000 1.078 289 L CA -0.809 54.090 54.840 0.100 0.000 0.815 289 L CB 0.911 43.042 42.059 0.120 0.000 1.162 289 L HN 0.088 nan 8.230 nan 0.000 0.435 290 L N 4.272 125.481 121.223 -0.023 0.000 2.426 290 L HA 0.153 4.493 4.340 -0.000 0.000 0.271 290 L C -0.292 176.517 176.870 -0.102 0.000 1.169 290 L CA -0.149 54.653 54.840 -0.062 0.000 0.836 290 L CB 0.750 42.703 42.059 -0.176 0.000 1.112 290 L HN 0.393 nan 8.230 nan 0.000 0.465 291 L N 3.146 124.281 121.223 -0.147 0.000 2.372 291 L HA 0.344 4.684 4.340 -0.000 0.000 0.273 291 L C -0.586 176.097 176.870 -0.313 0.000 0.989 291 L CA -0.266 54.475 54.840 -0.165 0.000 0.841 291 L CB 1.079 43.096 42.059 -0.071 0.000 1.225 291 L HN 0.471 nan 8.230 nan 0.000 0.414 292 H N 5.479 124.252 119.070 -0.495 0.000 2.562 292 H HA 0.552 5.108 4.556 -0.000 0.000 0.314 292 H C -0.840 174.371 175.328 -0.194 0.000 1.079 292 H CA -0.498 55.217 56.048 -0.556 0.000 1.349 292 H CB 0.758 29.894 29.762 -1.044 0.000 1.432 292 H HN 0.510 nan 8.280 nan 0.000 0.479 293 I N 5.950 126.178 120.570 -0.570 0.000 2.330 293 I HA 0.097 4.267 4.170 -0.000 0.000 0.289 293 I C 0.216 176.137 176.117 -0.326 0.000 1.001 293 I CA -0.383 60.723 61.300 -0.323 0.000 1.193 293 I CB 0.676 38.485 38.000 -0.319 0.000 1.345 293 I HN 0.725 nan 8.210 nan 0.000 0.461 294 H N 7.608 126.567 119.070 -0.185 0.000 2.502 294 H HA 0.266 4.822 4.556 -0.000 0.000 0.327 294 H C 0.531 175.803 175.328 -0.095 0.000 1.099 294 H CA -0.272 55.628 56.048 -0.247 0.000 1.323 294 H CB 1.327 31.000 29.762 -0.149 0.000 1.450 294 H HN 0.574 nan 8.280 nan 0.000 0.502 295 R N 3.170 123.431 120.500 -0.398 0.000 2.480 295 R HA 0.374 4.714 4.340 -0.000 0.000 0.277 295 R C 0.230 176.544 176.300 0.023 0.000 1.008 295 R CA -0.336 55.746 56.100 -0.029 0.000 1.090 295 R CB -0.017 30.246 30.300 -0.061 0.000 1.234 295 R HN 0.403 nan 8.270 nan 0.000 0.549 296 A N 1.726 124.669 122.820 0.205 0.000 2.608 296 A HA -0.058 4.262 4.320 -0.000 0.000 0.246 296 A C 0.973 178.556 177.584 -0.002 0.000 0.998 296 A CA 1.264 53.401 52.037 0.166 0.000 0.796 296 A CB -0.318 18.745 19.000 0.105 0.000 0.895 296 A HN 0.876 nan 8.150 nan 0.000 0.508 297 M N 0.349 119.933 119.600 -0.028 0.000 2.995 297 M HA -0.314 4.166 4.480 -0.000 0.000 0.207 297 M C 1.066 177.301 176.300 -0.108 0.000 0.593 297 M CA 1.977 57.221 55.300 -0.093 0.000 0.791 297 M CB -2.017 30.515 32.600 -0.114 0.000 2.827 297 M HN 1.308 nan 8.290 nan 0.000 0.293 298 H N -0.601 118.400 119.070 -0.115 0.000 2.353 298 H HA 0.140 4.696 4.556 -0.000 0.000 0.298 298 H C 1.718 177.010 175.328 -0.060 0.000 1.103 298 H CA 2.234 58.241 56.048 -0.068 0.000 1.293 298 H CB -0.588 29.167 29.762 -0.012 0.000 1.372 298 H HN 0.506 nan 8.280 nan 0.000 0.501 299 A N 1.083 123.355 122.820 -0.912 0.000 2.067 299 A HA -0.014 4.306 4.320 -0.000 0.000 0.219 299 A C 2.540 179.966 177.584 -0.263 0.000 1.158 299 A CA 1.091 52.754 52.037 -0.624 0.000 0.661 299 A CB -0.746 17.885 19.000 -0.614 0.000 0.801 299 A HN 0.367 nan 8.150 nan 0.000 0.452 300 V N -0.221 119.574 119.914 -0.199 0.000 2.469 300 V HA -0.259 3.860 4.120 -0.000 0.000 0.251 300 V C 2.227 178.285 176.094 -0.059 0.000 1.064 300 V CA 2.187 64.425 62.300 -0.105 0.000 1.066 300 V CB -0.513 31.259 31.823 -0.086 0.000 0.667 300 V HN 0.617 nan 8.190 nan 0.000 0.461 301 I N 0.431 120.965 120.570 -0.060 0.000 2.927 301 I HA -0.017 4.153 4.170 -0.000 0.000 0.268 301 I C 1.726 177.842 176.117 -0.002 0.000 1.153 301 I CA 1.118 62.406 61.300 -0.020 0.000 1.459 301 I CB -0.048 37.949 38.000 -0.004 0.000 1.149 301 I HN 0.457 nan 8.210 nan 0.000 0.443 302 D N -0.531 119.859 120.400 -0.017 0.000 2.433 302 D HA -0.028 4.612 4.640 -0.000 0.000 0.211 302 D C 1.853 178.133 176.300 -0.033 0.000 1.114 302 D CA -0.020 53.977 54.000 -0.005 0.000 0.837 302 D CB 0.015 40.851 40.800 0.060 0.000 0.984 302 D HN -0.085 nan 8.370 nan 0.000 0.505 303 R N 0.293 120.768 120.500 -0.042 0.000 2.062 303 R HA 0.045 4.385 4.340 -0.000 0.000 0.229 303 R C 0.455 176.770 176.300 0.025 0.000 1.128 303 R CA 1.182 57.265 56.100 -0.029 0.000 0.960 303 R CB -0.173 30.092 30.300 -0.058 0.000 0.855 303 R HN 0.061 nan 8.270 nan 0.000 0.432 304 Q N 0.458 120.287 119.800 0.049 0.000 2.261 304 Q HA 0.083 4.423 4.340 -0.000 0.000 0.252 304 Q C 0.361 176.427 176.000 0.111 0.000 0.915 304 Q CA 0.034 55.885 55.803 0.079 0.000 0.915 304 Q CB 1.338 30.130 28.738 0.090 0.000 1.204 304 Q HN 0.232 nan 8.270 nan 0.000 0.421 305 R N 2.250 122.816 120.500 0.110 0.000 2.120 305 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 305 R C 1.266 177.641 176.300 0.124 0.000 1.123 305 R CA 1.690 57.865 56.100 0.125 0.000 0.975 305 R CB 0.298 30.661 30.300 0.105 0.000 0.866 305 R HN 0.655 nan 8.270 nan 0.000 0.446 306 N N -1.237 117.540 118.700 0.129 0.000 2.392 306 N HA -0.098 4.642 4.740 -0.000 0.000 0.177 306 N C -0.360 175.277 175.510 0.212 0.000 1.066 306 N CA 0.609 53.743 53.050 0.140 0.000 0.895 306 N CB 0.134 38.693 38.487 0.119 0.000 0.988 306 N HN 0.258 nan 8.380 nan 0.000 0.457 307 H N -1.370 117.768 119.070 0.114 0.000 3.026 307 H HA 0.563 5.119 4.556 -0.000 0.000 0.352 307 H C 0.081 175.509 175.328 0.167 0.000 1.090 307 H CA 0.370 56.515 56.048 0.162 0.000 1.268 307 H CB 1.386 31.230 29.762 0.138 0.000 1.816 307 H HN 0.319 nan 8.280 nan 0.000 0.518 308 G N 2.684 111.416 108.800 -0.112 0.000 2.250 308 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.196 308 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.196 308 G C -1.535 173.356 174.900 -0.015 0.000 1.308 308 G CA -0.293 44.767 45.100 -0.066 0.000 1.207 308 G HN 0.647 nan 8.290 nan 0.000 0.505 309 I N 0.943 121.498 120.570 -0.024 0.000 2.512 309 I HA 0.324 4.494 4.170 -0.000 0.000 0.287 309 I C 0.147 176.298 176.117 0.057 0.000 1.069 309 I CA -0.865 60.431 61.300 -0.005 0.000 1.056 309 I CB 1.993 39.944 38.000 -0.082 0.000 1.229 309 I HN 0.670 nan 8.210 nan 0.000 0.429 310 H N 4.765 123.850 119.070 0.024 0.000 2.871 310 H HA -0.031 4.525 4.556 -0.000 0.000 0.355 310 H C 0.514 175.900 175.328 0.097 0.000 1.092 310 H CA 0.831 56.928 56.048 0.082 0.000 1.420 310 H CB 0.980 30.784 29.762 0.070 0.000 1.400 310 H HN 0.648 nan 8.280 nan 0.000 0.604 311 F N 5.251 124.964 119.950 -0.395 0.000 2.192 311 F HA -0.238 4.288 4.527 -0.000 0.000 0.301 311 F C 2.642 178.371 175.800 -0.120 0.000 1.079 311 F CA 1.848 59.696 58.000 -0.254 0.000 1.303 311 F CB -0.135 38.566 39.000 -0.497 0.000 1.024 311 F HN 0.686 nan 8.300 nan 0.000 0.494 312 R N -0.239 120.329 120.500 0.113 0.000 2.105 312 R HA -0.138 4.202 4.340 -0.000 0.000 0.239 312 R C 1.798 178.067 176.300 -0.051 0.000 1.135 312 R CA 2.032 58.156 56.100 0.040 0.000 0.967 312 R CB -1.451 29.049 30.300 0.332 0.000 0.861 312 R HN 0.296 nan 8.270 nan 0.000 0.442 313 V N 1.951 121.873 119.914 0.012 0.000 2.379 313 V HA -0.162 3.958 4.120 -0.000 0.000 0.245 313 V C 2.504 178.640 176.094 0.071 0.000 1.044 313 V CA 1.497 63.818 62.300 0.034 0.000 1.036 313 V CB -0.409 31.419 31.823 0.009 0.000 0.664 313 V HN 0.282 nan 8.190 nan 0.000 0.453 314 L N 0.159 121.382 121.223 -0.001 0.000 2.191 314 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 314 L C 2.628 179.423 176.870 -0.125 0.000 1.103 314 L CA 1.401 56.296 54.840 0.092 0.000 0.769 314 L CB -0.755 41.356 42.059 0.085 0.000 0.908 314 L HN 0.375 nan 8.230 nan 0.000 0.438 315 A N 0.043 122.525 122.820 -0.564 0.000 1.898 315 A HA -0.125 4.195 4.320 -0.000 0.000 0.214 315 A C 2.341 179.810 177.584 -0.191 0.000 1.183 315 A CA 0.978 52.692 52.037 -0.538 0.000 0.622 315 A CB -0.189 18.363 19.000 -0.746 0.000 0.824 315 A HN 0.233 nan 8.150 nan 0.000 0.444 316 K N -0.038 120.344 120.400 -0.030 0.000 2.032 316 K HA -0.136 4.184 4.320 -0.000 0.000 0.209 316 K C 2.288 178.939 176.600 0.085 0.000 1.048 316 K CA 1.260 57.657 56.287 0.183 0.000 0.927 316 K CB -0.356 32.289 32.500 0.241 0.000 0.712 316 K HN 0.431 nan 8.250 nan 0.000 0.441 317 A N 1.911 124.760 122.820 0.048 0.000 1.933 317 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 317 A C 2.059 179.627 177.584 -0.025 0.000 1.175 317 A CA 1.052 53.051 52.037 -0.064 0.000 0.628 317 A CB -0.524 18.409 19.000 -0.111 0.000 0.814 317 A HN 0.250 nan 8.150 nan 0.000 0.444 318 L N -0.345 120.877 121.223 -0.002 0.000 2.056 318 L HA -0.119 4.220 4.340 -0.000 0.000 0.207 318 L C 2.444 179.179 176.870 -0.224 0.000 1.078 318 L CA 2.317 57.033 54.840 -0.206 0.000 0.749 318 L CB -0.912 40.742 42.059 -0.674 0.000 0.901 318 L HN 0.536 nan 8.230 nan 0.000 0.433 319 R N -0.498 119.855 120.500 -0.246 0.000 2.103 319 R HA -0.209 4.131 4.340 -0.000 0.000 0.242 319 R C 2.324 178.470 176.300 -0.257 0.000 1.142 319 R CA 2.099 58.004 56.100 -0.325 0.000 0.960 319 R CB -0.135 29.818 30.300 -0.578 0.000 0.858 319 R HN 0.374 nan 8.270 nan 0.000 0.439 320 M N -1.061 118.402 119.600 -0.228 0.000 2.123 320 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 320 M C 2.508 178.710 176.300 -0.164 0.000 1.069 320 M CA 1.716 56.802 55.300 -0.357 0.000 1.133 320 M CB -0.254 31.883 32.600 -0.771 0.000 1.356 320 M HN 0.141 nan 8.290 nan 0.000 0.415 321 S N -0.288 115.362 115.700 -0.083 0.000 2.370 321 S HA 0.025 4.495 4.470 -0.000 0.000 0.226 321 S C 0.844 175.466 174.600 0.037 0.000 1.033 321 S CA 1.365 59.610 58.200 0.075 0.000 1.011 321 S CB -0.396 62.931 63.200 0.211 0.000 0.852 321 S HN 0.680 nan 8.310 nan 0.000 0.457 322 G N -1.443 107.328 108.800 -0.048 0.000 3.162 322 G HA2 0.417 4.377 3.960 -0.000 0.000 0.599 322 G HA3 0.417 4.377 3.960 -0.000 0.000 0.599 322 G C -0.359 174.471 174.900 -0.117 0.000 1.335 322 G CA -0.450 44.603 45.100 -0.078 0.000 1.091 322 G HN 0.944 nan 8.290 nan 0.000 0.570 323 G N 0.629 109.338 108.800 -0.153 0.000 2.755 323 G HA2 0.610 4.570 3.960 -0.000 0.000 0.297 323 G HA3 0.610 4.570 3.960 -0.000 0.000 0.297 323 G C -0.042 174.775 174.900 -0.138 0.000 1.441 323 G CA 0.077 45.080 45.100 -0.163 0.000 0.964 323 G HN 0.297 nan 8.290 nan 0.000 0.540 324 D N -0.239 120.086 120.400 -0.125 0.000 2.183 324 D HA 0.054 4.694 4.640 -0.000 0.000 0.205 324 D C 0.421 176.761 176.300 0.066 0.000 0.962 324 D CA 1.158 55.125 54.000 -0.055 0.000 0.849 324 D CB 0.258 41.011 40.800 -0.078 0.000 0.978 324 D HN 0.569 nan 8.370 nan 0.000 0.488 325 H N -0.929 118.020 119.070 -0.202 0.000 2.679 325 H HA 0.561 5.117 4.556 -0.000 0.000 0.367 325 H C -1.044 174.099 175.328 -0.309 0.000 1.162 325 H CA -1.093 54.816 56.048 -0.233 0.000 1.181 325 H CB 2.663 32.270 29.762 -0.258 0.000 1.693 325 H HN -0.124 nan 8.280 nan 0.000 0.538 326 L N 1.624 122.783 121.223 -0.108 0.000 2.493 326 L HA 0.212 4.552 4.340 -0.000 0.000 0.265 326 L C -0.853 176.005 176.870 -0.020 0.000 0.954 326 L CA -0.363 54.404 54.840 -0.122 0.000 0.844 326 L CB 1.523 43.510 42.059 -0.120 0.000 1.302 326 L HN 0.715 nan 8.230 nan 0.000 0.405 327 H N 2.554 121.498 119.070 -0.209 0.000 3.001 327 H HA 0.157 4.713 4.556 -0.000 0.000 0.334 327 H C 0.292 175.534 175.328 -0.144 0.000 1.034 327 H CA 0.802 56.733 56.048 -0.195 0.000 1.420 327 H CB 0.968 30.549 29.762 -0.302 0.000 1.405 327 H HN 0.774 nan 8.280 nan 0.000 0.593 328 S N 1.703 117.407 115.700 0.008 0.000 2.666 328 S HA 0.298 4.768 4.470 -0.000 0.000 0.239 328 S C 0.970 175.699 174.600 0.216 0.000 1.031 328 S CA 0.044 58.384 58.200 0.234 0.000 1.015 328 S CB 1.049 64.475 63.200 0.377 0.000 0.981 328 S HN 1.100 nan 8.310 nan 0.000 0.547 329 G N 1.359 110.162 108.800 0.006 0.000 2.795 329 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.664 329 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.664 329 G C 0.288 175.247 174.900 0.098 0.000 1.381 329 G CA 0.176 45.299 45.100 0.037 0.000 0.853 329 G HN 1.029 nan 8.290 nan 0.000 0.545 330 T N -3.292 111.299 114.554 0.063 0.000 2.959 330 T HA 0.455 4.805 4.350 -0.000 0.000 0.254 330 T C 1.829 176.606 174.700 0.129 0.000 1.003 330 T CA 1.297 63.447 62.100 0.083 0.000 0.950 330 T CB 0.427 69.223 68.868 -0.119 0.000 1.090 330 T HN 2.294 nan 8.240 nan 0.000 0.503 331 V N 0.925 120.884 119.914 0.074 0.000 0.481 331 V HA -0.343 3.777 4.120 -0.000 0.000 0.092 331 V C 2.112 178.218 176.094 0.020 0.000 2.400 331 V CA 2.055 64.376 62.300 0.036 0.000 3.646 331 V CB -2.023 29.800 31.823 0.001 0.000 0.927 331 V HN 0.716 nan 8.190 nan 0.000 0.973 332 V N -0.988 118.914 119.914 -0.020 0.000 3.608 332 V HA 0.645 4.765 4.120 -0.000 0.000 0.269 332 V C 1.285 177.293 176.094 -0.144 0.000 1.245 332 V CA 1.389 63.664 62.300 -0.041 0.000 1.138 332 V CB -0.128 31.681 31.823 -0.023 0.000 0.841 332 V HN 0.946 nan 8.190 nan 0.000 0.451 333 G N 1.289 109.947 108.800 -0.237 0.000 2.531 333 G HA2 0.278 4.238 3.960 -0.000 0.000 0.253 333 G HA3 0.278 4.238 3.960 -0.000 0.000 0.253 333 G C 0.740 175.341 174.900 -0.499 0.000 1.439 333 G CA 0.028 44.901 45.100 -0.379 0.000 1.056 333 G HN 0.486 nan 8.290 nan 0.000 0.555 334 K N -1.215 118.648 120.400 -0.895 0.000 2.366 334 K HA 0.135 4.455 4.320 -0.000 0.000 0.198 334 K C 0.136 176.521 176.600 -0.359 0.000 1.044 334 K CA 0.402 56.127 56.287 -0.938 0.000 0.973 334 K CB -0.248 31.680 32.500 -0.955 0.000 0.767 334 K HN 0.166 nan 8.250 nan 0.000 0.475 335 L N 1.641 122.715 121.223 -0.248 0.000 2.330 335 L HA 0.319 4.659 4.340 -0.000 0.000 0.271 335 L C -0.049 176.779 176.870 -0.069 0.000 1.013 335 L CA -0.934 53.824 54.840 -0.137 0.000 0.816 335 L CB 1.738 43.734 42.059 -0.104 0.000 1.287 335 L HN 0.073 nan 8.230 nan 0.000 0.435 336 E N 0.585 120.762 120.200 -0.038 0.000 2.383 336 E HA 0.498 4.848 4.350 -0.000 0.000 0.264 336 E C -0.344 176.284 176.600 0.047 0.000 1.050 336 E CA -0.038 56.370 56.400 0.013 0.000 0.896 336 E CB 0.797 30.504 29.700 0.011 0.000 0.982 336 E HN 0.758 nan 8.360 nan 0.000 0.424 337 G N 4.082 112.928 108.800 0.077 0.000 2.374 337 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.298 337 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.298 337 G C -0.975 173.981 174.900 0.093 0.000 2.674 337 G CA -0.731 44.441 45.100 0.120 0.000 0.775 337 G HN 0.470 nan 8.290 nan 0.000 0.437 338 E N 2.117 122.380 120.200 0.105 0.000 2.398 338 E HA 0.112 4.462 4.350 -0.000 0.000 0.263 338 E C 1.487 178.095 176.600 0.013 0.000 1.046 338 E CA -0.505 55.936 56.400 0.068 0.000 0.908 338 E CB 0.959 30.711 29.700 0.086 0.000 0.963 338 E HN 0.573 nan 8.360 nan 0.000 0.431 339 R N 3.058 123.547 120.500 -0.017 0.000 2.094 339 R HA -0.193 4.147 4.340 -0.000 0.000 0.239 339 R C 1.496 177.731 176.300 -0.109 0.000 1.137 339 R CA 1.820 57.875 56.100 -0.076 0.000 0.943 339 R CB 0.067 30.331 30.300 -0.059 0.000 0.850 339 R HN 0.510 nan 8.270 nan 0.000 0.433 340 E N 0.005 120.167 120.200 -0.064 0.000 2.072 340 E HA -0.103 4.247 4.350 -0.000 0.000 0.190 340 E C 2.166 178.720 176.600 -0.077 0.000 0.982 340 E CA 0.942 57.300 56.400 -0.069 0.000 0.803 340 E CB -0.301 29.377 29.700 -0.036 0.000 0.755 340 E HN 0.200 nan 8.360 nan 0.000 0.453 341 V N 1.573 121.474 119.914 -0.022 0.000 2.282 341 V HA -0.278 3.842 4.120 -0.000 0.000 0.249 341 V C 2.359 178.332 176.094 -0.203 0.000 1.057 341 V CA 2.304 64.631 62.300 0.045 0.000 1.032 341 V CB -0.868 31.096 31.823 0.234 0.000 0.645 341 V HN 0.295 nan 8.190 nan 0.000 0.447 342 T N 0.061 114.387 114.554 -0.379 0.000 2.777 342 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 342 T C 1.892 176.115 174.700 -0.794 0.000 1.040 342 T CA 1.346 62.885 62.100 -0.936 0.000 1.141 342 T CB -0.276 68.336 68.868 -0.426 0.000 0.868 342 T HN 0.290 nan 8.240 nan 0.000 0.444 343 L N 0.750 121.721 121.223 -0.419 0.000 2.079 343 L HA -0.061 4.278 4.340 -0.000 0.000 0.210 343 L C 2.937 179.689 176.870 -0.197 0.000 1.081 343 L CA 1.339 56.007 54.840 -0.286 0.000 0.752 343 L CB -0.971 40.968 42.059 -0.200 0.000 0.896 343 L HN 0.366 nan 8.230 nan 0.000 0.433 344 G N 0.878 109.576 108.800 -0.171 0.000 2.433 344 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.216 344 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.216 344 G C 1.302 176.240 174.900 0.062 0.000 1.186 344 G CA 1.005 46.083 45.100 -0.037 0.000 0.779 344 G HN 0.477 nan 8.290 nan 0.000 0.543 345 F N 0.771 120.805 119.950 0.140 0.000 2.456 345 F HA 0.216 4.743 4.527 -0.000 0.000 0.298 345 F C 2.199 178.086 175.800 0.146 0.000 1.104 345 F CA 0.080 58.178 58.000 0.164 0.000 1.435 345 F CB -0.911 38.230 39.000 0.235 0.000 1.078 345 F HN -0.004 nan 8.300 nan 0.000 0.546 346 V N 1.400 121.390 119.914 0.127 0.000 2.343 346 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 346 V C 2.165 178.336 176.094 0.128 0.000 1.051 346 V CA 2.351 64.754 62.300 0.172 0.000 1.036 346 V CB -0.716 31.149 31.823 0.070 0.000 0.654 346 V HN 0.239 nan 8.190 nan 0.000 0.451 347 D N 0.078 120.530 120.400 0.086 0.000 2.117 347 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 347 D C 2.108 178.497 176.300 0.147 0.000 0.987 347 D CA 1.185 55.242 54.000 0.096 0.000 0.829 347 D CB -0.306 40.540 40.800 0.076 0.000 0.961 347 D HN 0.331 nan 8.370 nan 0.000 0.460 348 L N -0.191 121.155 121.223 0.205 0.000 2.191 348 L HA -0.121 4.218 4.340 -0.000 0.000 0.212 348 L C 2.409 179.381 176.870 0.170 0.000 1.103 348 L CA 0.748 55.771 54.840 0.304 0.000 0.769 348 L CB -0.247 42.011 42.059 0.331 0.000 0.908 348 L HN 0.065 nan 8.230 nan 0.000 0.438 349 M N -1.458 118.192 119.600 0.083 0.000 2.287 349 M HA -0.075 4.405 4.480 -0.000 0.000 0.266 349 M C 2.226 178.428 176.300 -0.164 0.000 1.079 349 M CA 1.445 56.700 55.300 -0.074 0.000 1.146 349 M CB -0.009 32.616 32.600 0.043 0.000 1.374 349 M HN 0.105 nan 8.290 nan 0.000 0.435 350 R N -0.503 119.964 120.500 -0.055 0.000 2.195 350 R HA 0.106 4.446 4.340 -0.000 0.000 0.197 350 R C -0.039 176.234 176.300 -0.044 0.000 0.990 350 R CA 0.305 56.376 56.100 -0.048 0.000 1.048 350 R CB 0.258 30.570 30.300 0.020 0.000 0.997 350 R HN 0.247 nan 8.270 nan 0.000 0.502 351 D N 0.131 120.539 120.400 0.014 0.000 2.388 351 D HA 0.012 4.652 4.640 -0.000 0.000 0.254 351 D C 0.289 176.683 176.300 0.156 0.000 1.111 351 D CA -0.099 53.956 54.000 0.091 0.000 0.993 351 D CB 1.204 42.087 40.800 0.139 0.000 1.118 351 D HN -0.120 nan 8.370 nan 0.000 0.502 352 D N -1.250 119.277 120.400 0.211 0.000 2.240 352 D HA -0.077 4.562 4.640 -0.000 0.000 0.206 352 D C -0.653 175.903 176.300 0.425 0.000 0.963 352 D CA 0.565 54.744 54.000 0.299 0.000 0.863 352 D CB 0.286 41.212 40.800 0.212 0.000 0.973 352 D HN 0.297 nan 8.370 nan 0.000 0.501 353 Y N -0.001 120.419 120.300 0.200 0.000 2.332 353 Y HA 0.446 4.996 4.550 -0.000 0.000 0.325 353 Y C -1.693 174.283 175.900 0.126 0.000 1.054 353 Y CA -0.960 57.223 58.100 0.139 0.000 1.119 353 Y CB 1.597 40.108 38.460 0.085 0.000 1.168 353 Y HN -0.318 nan 8.280 nan 0.000 0.439 354 V N 5.965 125.779 119.914 -0.166 0.000 2.443 354 V HA 0.324 4.444 4.120 -0.000 0.000 0.293 354 V C -0.360 175.631 176.094 -0.172 0.000 1.021 354 V CA -1.029 61.240 62.300 -0.051 0.000 0.848 354 V CB 1.405 33.264 31.823 0.060 0.000 0.998 354 V HN 0.674 nan 8.190 nan 0.000 0.424 355 E N 2.922 123.086 120.200 -0.060 0.000 2.383 355 E HA 0.112 4.461 4.350 -0.000 0.000 0.264 355 E C 0.134 176.722 176.600 -0.021 0.000 1.050 355 E CA -0.372 56.006 56.400 -0.036 0.000 0.896 355 E CB 1.136 30.871 29.700 0.059 0.000 0.982 355 E HN 0.570 nan 8.360 nan 0.000 0.424 356 K N 2.088 122.479 120.400 -0.015 0.000 2.550 356 K HA -0.140 4.180 4.320 -0.000 0.000 0.280 356 K C -0.560 176.021 176.600 -0.031 0.000 0.987 356 K CA 0.675 56.953 56.287 -0.015 0.000 1.048 356 K CB 0.330 32.824 32.500 -0.010 0.000 0.879 356 K HN 0.330 nan 8.250 nan 0.000 0.491 357 D N 3.828 124.194 120.400 -0.057 0.000 2.362 357 D HA 0.134 4.774 4.640 -0.000 0.000 0.232 357 D C 0.237 176.468 176.300 -0.115 0.000 1.329 357 D CA -0.459 53.502 54.000 -0.066 0.000 0.944 357 D CB 0.570 41.350 40.800 -0.034 0.000 1.471 357 D HN 0.506 nan 8.370 nan 0.000 0.533 358 R N 0.697 121.093 120.500 -0.173 0.000 2.193 358 R HA -0.061 4.279 4.340 -0.000 0.000 0.229 358 R C 1.783 177.978 176.300 -0.176 0.000 1.110 358 R CA 1.112 57.051 56.100 -0.269 0.000 0.988 358 R CB -0.474 29.639 30.300 -0.312 0.000 0.871 358 R HN 0.484 nan 8.270 nan 0.000 0.458 359 S N -0.063 115.572 115.700 -0.109 0.000 2.515 359 S HA -0.026 4.444 4.470 -0.000 0.000 0.231 359 S C 1.477 176.043 174.600 -0.057 0.000 0.987 359 S CA 0.540 58.697 58.200 -0.072 0.000 0.936 359 S CB 0.054 63.221 63.200 -0.053 0.000 0.766 359 S HN 0.221 nan 8.310 nan 0.000 0.528 360 R N -0.050 120.414 120.500 -0.060 0.000 2.577 360 R HA 0.360 4.700 4.340 -0.000 0.000 0.344 360 R C 1.167 177.454 176.300 -0.021 0.000 1.037 360 R CA 0.347 56.424 56.100 -0.039 0.000 1.102 360 R CB 0.497 30.776 30.300 -0.035 0.000 1.313 360 R HN 0.460 nan 8.270 nan 0.000 0.561 361 G N 1.436 110.206 108.800 -0.050 0.000 2.153 361 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.252 361 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.252 361 G C 0.110 175.062 174.900 0.087 0.000 0.994 361 G CA -0.030 45.066 45.100 -0.006 0.000 0.698 361 G HN 0.281 nan 8.290 nan 0.000 0.521 362 I N 0.771 121.347 120.570 0.011 0.000 2.281 362 I HA 0.317 4.487 4.170 -0.000 0.000 0.293 362 I C 1.294 177.403 176.117 -0.014 0.000 1.085 362 I CA -0.900 60.440 61.300 0.066 0.000 1.257 362 I CB 0.428 38.453 38.000 0.042 0.000 1.430 362 I HN 0.061 nan 8.210 nan 0.000 0.489 363 Y N 5.266 125.461 120.300 -0.175 0.000 2.420 363 Y HA 0.153 4.703 4.550 -0.000 0.000 0.292 363 Y C 0.307 175.895 175.900 -0.521 0.000 1.119 363 Y CA 0.507 58.371 58.100 -0.392 0.000 1.229 363 Y CB -0.032 38.056 38.460 -0.620 0.000 1.026 363 Y HN 0.296 nan 8.280 nan 0.000 0.554 364 F N -1.701 118.352 119.950 0.171 0.000 2.576 364 F HA 0.379 4.906 4.527 -0.000 0.000 0.313 364 F C 0.295 176.081 175.800 -0.023 0.000 1.078 364 F CA -1.724 56.321 58.000 0.074 0.000 0.921 364 F CB 0.991 40.028 39.000 0.062 0.000 1.232 364 F HN -0.503 nan 8.300 nan 0.000 0.459 365 T N 1.893 116.526 114.554 0.131 0.000 2.888 365 T HA 0.185 4.535 4.350 -0.000 0.000 0.301 365 T C -0.392 174.211 174.700 -0.161 0.000 1.001 365 T CA 0.148 62.203 62.100 -0.074 0.000 1.147 365 T CB 0.399 69.207 68.868 -0.100 0.000 0.931 365 T HN 0.440 nan 8.240 nan 0.000 0.541 366 Q N 2.881 122.502 119.800 -0.299 0.000 2.333 366 Q HA 0.335 4.675 4.340 -0.000 0.000 0.268 366 Q C -1.430 174.255 176.000 -0.524 0.000 1.007 366 Q CA -0.689 54.875 55.803 -0.399 0.000 0.810 366 Q CB 1.263 29.790 28.738 -0.352 0.000 1.264 366 Q HN 0.473 nan 8.270 nan 0.000 0.452 367 D N 3.972 124.103 120.400 -0.447 0.000 2.392 367 D HA 0.260 4.900 4.640 -0.000 0.000 0.228 367 D C -1.079 175.093 176.300 -0.214 0.000 1.074 367 D CA -0.223 53.670 54.000 -0.179 0.000 0.838 367 D CB 0.402 41.230 40.800 0.048 0.000 1.067 367 D HN 0.471 nan 8.370 nan 0.000 0.511 371 M N 3.769 123.449 119.600 0.133 0.000 2.260 371 M HA 0.185 4.665 4.480 -0.000 0.000 0.348 371 M C -2.602 173.680 176.300 -0.030 0.000 1.342 371 M CA -0.731 54.610 55.300 0.067 0.000 1.040 371 M CB 0.256 32.934 32.600 0.129 0.000 1.810 371 M HN -0.136 nan 8.290 nan 0.000 0.453 372 P HA 0.119 nan 4.420 nan 0.000 0.268 372 P C -0.527 176.675 177.300 -0.163 0.000 1.208 372 P CA -0.111 62.944 63.100 -0.075 0.000 0.777 372 P CB 0.369 32.035 31.700 -0.057 0.000 0.875 373 G N 0.642 109.364 108.800 -0.129 0.000 2.448 373 G HA2 0.451 4.411 3.960 -0.000 0.000 0.285 373 G HA3 0.451 4.411 3.960 -0.000 0.000 0.285 373 G C -0.844 173.977 174.900 -0.133 0.000 1.176 373 G CA -0.417 44.579 45.100 -0.173 0.000 0.852 373 G HN 0.352 nan 8.290 nan 0.000 0.530 374 V N 2.742 122.560 119.914 -0.160 0.000 2.394 374 V HA 0.266 4.386 4.120 -0.000 0.000 0.282 374 V C 0.442 176.504 176.094 -0.053 0.000 1.031 374 V CA -0.696 61.538 62.300 -0.111 0.000 0.881 374 V CB 1.415 33.139 31.823 -0.166 0.000 0.982 374 V HN 0.819 nan 8.190 nan 0.000 0.451 375 M N 9.902 129.492 119.600 -0.017 0.000 2.307 375 M HA 0.285 4.765 4.480 -0.000 0.000 0.346 375 M C -2.298 173.944 176.300 -0.096 0.000 1.552 375 M CA -1.154 54.114 55.300 -0.053 0.000 1.116 375 M CB 0.598 33.140 32.600 -0.096 0.000 1.889 375 M HN 0.353 nan 8.290 nan 0.000 0.460 376 P HA 0.130 nan 4.420 nan 0.000 0.276 376 P C -1.282 175.869 177.300 -0.248 0.000 1.230 376 P CA -0.253 62.805 63.100 -0.070 0.000 0.776 376 P CB 0.714 32.458 31.700 0.073 0.000 0.888 377 V N 3.065 122.805 119.914 -0.289 0.000 2.378 377 V HA 0.488 4.608 4.120 -0.000 0.000 0.288 377 V C 0.464 176.245 176.094 -0.522 0.000 1.016 377 V CA -0.822 61.222 62.300 -0.426 0.000 0.840 377 V CB 1.198 32.757 31.823 -0.440 0.000 0.994 377 V HN 0.681 nan 8.190 nan 0.000 0.431 378 A N 3.949 126.400 122.820 -0.616 0.000 2.269 378 A HA 0.804 5.123 4.320 -0.000 0.000 0.302 378 A C 0.093 177.397 177.584 -0.466 0.000 1.266 378 A CA -0.173 51.509 52.037 -0.591 0.000 0.894 378 A CB 0.891 19.380 19.000 -0.853 0.000 1.147 378 A HN 0.861 nan 8.150 nan 0.000 0.537 379 S N 1.729 117.216 115.700 -0.355 0.000 2.533 379 S HA 0.754 5.224 4.470 -0.000 0.000 0.271 379 S C -0.516 173.962 174.600 -0.204 0.000 1.143 379 S CA 0.404 58.426 58.200 -0.297 0.000 0.891 379 S CB 1.334 64.403 63.200 -0.220 0.000 1.105 379 S HN 2.595 nan 8.310 nan 0.000 0.468 380 G N 1.641 110.306 108.800 -0.224 0.000 3.152 380 G HA2 0.446 4.406 3.960 -0.000 0.000 0.666 380 G HA3 0.446 4.406 3.960 -0.000 0.000 0.666 380 G C 0.837 175.559 174.900 -0.297 0.000 1.205 380 G CA 0.282 45.265 45.100 -0.195 0.000 1.178 380 G HN 2.170 nan 8.290 nan 0.000 0.510 381 G N 0.360 109.005 108.800 -0.258 0.000 2.221 381 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.265 381 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.265 381 G C 0.585 175.395 174.900 -0.151 0.000 1.041 381 G CA 1.042 45.971 45.100 -0.285 0.000 0.807 381 G HN 2.275 nan 8.290 nan 0.000 0.502 382 I N -2.147 118.317 120.570 -0.177 0.000 2.607 382 I HA 0.948 5.118 4.170 -0.000 0.000 0.305 382 I C 0.253 176.515 176.117 0.242 0.000 0.995 382 I CA -1.411 59.843 61.300 -0.076 0.000 1.148 382 I CB 1.621 39.418 38.000 -0.339 0.000 1.323 382 I HN 0.324 nan 8.210 nan 0.000 0.461 383 H N 1.589 121.007 119.070 0.580 0.000 2.959 383 H HA 0.479 5.035 4.556 -0.000 0.000 0.296 383 H C 0.726 176.228 175.328 0.289 0.000 1.421 383 H CA -0.427 55.777 56.048 0.259 0.000 1.206 383 H CB 0.532 30.151 29.762 -0.239 0.000 1.891 383 H HN 0.363 nan 8.280 nan 0.000 0.573 384 V N -2.816 117.271 119.914 0.288 0.000 2.380 384 V HA -0.260 3.860 4.120 -0.000 0.000 0.251 384 V C 1.341 177.449 176.094 0.023 0.000 1.063 384 V CA 1.873 64.188 62.300 0.025 0.000 1.055 384 V CB -1.266 30.477 31.823 -0.133 0.000 0.657 384 V HN 0.779 nan 8.190 nan 0.000 0.455 385 W N -0.293 121.155 121.300 0.247 0.000 2.465 385 W HA 0.041 4.701 4.660 -0.000 0.000 0.268 385 W C 2.610 179.097 176.519 -0.053 0.000 1.242 385 W CA 1.120 58.510 57.345 0.076 0.000 1.248 385 W CB -0.420 29.113 29.460 0.121 0.000 1.118 385 W HN 0.359 nan 8.180 nan 0.000 0.587 386 H N -0.859 118.330 119.070 0.198 0.000 2.548 386 H HA 0.010 4.566 4.556 -0.000 0.000 0.268 386 H C 1.882 177.303 175.328 0.155 0.000 0.975 386 H CA 0.999 57.120 56.048 0.121 0.000 1.195 386 H CB -0.359 29.415 29.762 0.019 0.000 1.397 386 H HN 0.174 nan 8.280 nan 0.000 0.572 387 M N 1.636 121.391 119.600 0.259 0.000 2.082 387 M HA -0.077 4.403 4.480 -0.000 0.000 0.258 387 M C -0.970 175.429 176.300 0.164 0.000 1.069 387 M CA 1.613 57.038 55.300 0.208 0.000 1.102 387 M CB -0.904 31.757 32.600 0.101 0.000 1.336 387 M HN 0.053 nan 8.290 nan 0.000 0.404 388 P HA -0.082 nan 4.420 nan 0.000 0.215 388 P C 1.173 178.546 177.300 0.123 0.000 1.157 388 P CA 2.276 65.444 63.100 0.115 0.000 0.868 388 P CB -0.404 31.364 31.700 0.112 0.000 0.788 389 A N -0.668 122.240 122.820 0.148 0.000 1.902 389 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 389 A C 2.249 179.913 177.584 0.134 0.000 1.181 389 A CA 1.491 53.604 52.037 0.128 0.000 0.623 389 A CB -1.692 17.399 19.000 0.151 0.000 0.818 389 A HN 0.111 nan 8.150 nan 0.000 0.443 390 L N -0.693 120.647 121.223 0.196 0.000 2.046 390 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 390 L C 2.505 179.544 176.870 0.282 0.000 1.077 390 L CA 1.085 56.096 54.840 0.285 0.000 0.747 390 L CB -0.573 41.635 42.059 0.248 0.000 0.896 390 L HN 0.237 nan 8.230 nan 0.000 0.432 391 V N -0.442 119.583 119.914 0.185 0.000 2.427 391 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 391 V C 2.576 178.733 176.094 0.104 0.000 1.051 391 V CA 1.683 64.070 62.300 0.145 0.000 1.048 391 V CB -0.493 31.392 31.823 0.104 0.000 0.666 391 V HN 0.476 nan 8.190 nan 0.000 0.456 392 E N 0.319 120.564 120.200 0.075 0.000 2.077 392 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 392 E C 2.169 178.751 176.600 -0.029 0.000 0.989 392 E CA 1.611 58.028 56.400 0.028 0.000 0.800 392 E CB -0.102 29.614 29.700 0.025 0.000 0.746 392 E HN 0.606 nan 8.360 nan 0.000 0.452 393 I N -0.392 120.129 120.570 -0.082 0.000 2.163 393 I HA -0.243 3.927 4.170 -0.000 0.000 0.240 393 I C 2.045 177.940 176.117 -0.370 0.000 1.081 393 I CA 1.136 62.247 61.300 -0.315 0.000 1.353 393 I CB -0.212 37.456 38.000 -0.554 0.000 1.054 393 I HN 0.031 nan 8.210 nan 0.000 0.407 394 F N 0.263 120.209 119.950 -0.006 0.000 2.530 394 F HA 0.315 4.842 4.527 -0.000 0.000 0.292 394 F C 1.632 177.433 175.800 0.002 0.000 1.109 394 F CA 0.634 58.629 58.000 -0.009 0.000 1.450 394 F CB -0.650 38.341 39.000 -0.014 0.000 1.114 394 F HN 0.163 nan 8.300 nan 0.000 0.560 395 G N 0.693 109.587 108.800 0.157 0.000 2.645 395 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.239 395 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.239 395 G C 0.218 175.187 174.900 0.115 0.000 1.331 395 G CA 0.140 45.304 45.100 0.106 0.000 0.890 395 G HN 0.152 nan 8.290 nan 0.000 0.572 396 D N 0.501 120.952 120.400 0.085 0.000 2.234 396 D HA 0.084 4.724 4.640 -0.000 0.000 0.205 396 D C 0.897 177.237 176.300 0.066 0.000 0.962 396 D CA 1.082 55.126 54.000 0.073 0.000 0.855 396 D CB -0.082 40.758 40.800 0.067 0.000 0.951 396 D HN 0.355 nan 8.370 nan 0.000 0.500 397 D N 0.845 121.288 120.400 0.072 0.000 2.619 397 D HA 0.457 5.097 4.640 -0.000 0.000 0.224 397 D C -0.344 175.978 176.300 0.037 0.000 1.133 397 D CA 0.116 54.149 54.000 0.054 0.000 1.017 397 D CB 0.133 40.968 40.800 0.059 0.000 1.077 397 D HN 0.017 nan 8.370 nan 0.000 0.503 398 A N 0.143 122.960 122.820 -0.003 0.000 2.612 398 A HA 0.540 4.860 4.320 -0.000 0.000 0.293 398 A C -1.175 176.336 177.584 -0.122 0.000 1.075 398 A CA -0.765 51.214 52.037 -0.097 0.000 0.680 398 A CB 1.552 20.476 19.000 -0.127 0.000 1.279 398 A HN 0.374 nan 8.150 nan 0.000 0.411 399 C N 1.906 121.080 119.300 -0.210 0.000 2.322 399 C HA 0.772 5.232 4.460 -0.000 0.000 0.324 399 C C -0.768 174.105 174.990 -0.195 0.000 1.284 399 C CA -0.588 58.352 59.018 -0.130 0.000 1.606 399 C CB -1.053 26.612 27.740 -0.124 0.000 2.251 399 C HN 0.658 nan 8.230 nan 0.000 0.502 400 L N 6.515 127.679 121.223 -0.098 0.000 2.296 400 L HA 0.516 4.856 4.340 -0.000 0.000 0.286 400 L C -0.079 176.693 176.870 -0.163 0.000 1.023 400 L CA -0.124 54.608 54.840 -0.180 0.000 0.812 400 L CB 1.108 43.169 42.059 0.003 0.000 1.223 400 L HN 0.633 nan 8.230 nan 0.000 0.421 401 Q N 3.495 123.047 119.800 -0.414 0.000 2.316 401 Q HA 0.542 4.882 4.340 -0.000 0.000 0.264 401 Q C -1.494 174.184 176.000 -0.536 0.000 0.987 401 Q CA -0.432 55.204 55.803 -0.279 0.000 0.852 401 Q CB 2.475 31.106 28.738 -0.179 0.000 1.287 401 Q HN 0.434 nan 8.270 nan 0.000 0.448 402 F N 0.788 120.711 119.950 -0.045 0.000 2.532 402 F HA 0.354 4.881 4.527 -0.000 0.000 0.365 402 F C 0.865 176.646 175.800 -0.030 0.000 1.112 402 F CA -0.717 57.256 58.000 -0.046 0.000 1.082 402 F CB 1.352 40.329 39.000 -0.037 0.000 1.319 402 F HN 0.744 nan 8.300 nan 0.000 0.457 403 G N 1.563 110.408 108.800 0.076 0.000 2.655 403 G HA2 0.066 4.026 3.960 -0.000 0.000 0.217 403 G HA3 0.066 4.026 3.960 -0.000 0.000 0.217 403 G C 1.765 176.718 174.900 0.088 0.000 1.279 403 G CA 0.600 45.739 45.100 0.065 0.000 0.870 403 G HN 0.746 nan 8.290 nan 0.000 0.560 404 G N 0.765 109.608 108.800 0.071 0.000 2.469 404 G HA2 0.009 3.969 3.960 -0.000 0.000 0.220 404 G HA3 0.009 3.969 3.960 -0.000 0.000 0.220 404 G C 1.683 176.637 174.900 0.091 0.000 1.136 404 G CA 1.410 46.570 45.100 0.100 0.000 0.759 404 G HN 0.713 nan 8.290 nan 0.000 0.562 405 G N -0.927 107.870 108.800 -0.005 0.000 2.708 405 G HA2 0.145 4.105 3.960 -0.000 0.000 0.210 405 G HA3 0.145 4.105 3.960 -0.000 0.000 0.210 405 G C 1.429 176.421 174.900 0.153 0.000 1.141 405 G CA 1.571 46.580 45.100 -0.152 0.000 0.788 405 G HN 0.427 nan 8.290 nan 0.000 0.531 406 T N 0.094 114.776 114.554 0.214 0.000 3.182 406 T HA 0.101 4.451 4.350 -0.000 0.000 0.244 406 T C 1.952 176.789 174.700 0.228 0.000 0.981 406 T CA -0.133 62.090 62.100 0.205 0.000 1.182 406 T CB -0.035 68.903 68.868 0.116 0.000 1.043 406 T HN 0.054 nan 8.240 nan 0.000 0.424 407 L N 1.572 122.900 121.223 0.176 0.000 2.622 407 L HA 0.259 4.599 4.340 -0.000 0.000 0.233 407 L C 2.179 179.173 176.870 0.205 0.000 1.156 407 L CA 0.752 55.681 54.840 0.148 0.000 0.866 407 L CB -0.183 41.929 42.059 0.088 0.000 0.980 407 L HN 0.360 nan 8.230 nan 0.000 0.448 408 G N -3.086 105.910 108.800 0.326 0.000 3.126 408 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.224 408 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.224 408 G C 0.512 175.618 174.900 0.344 0.000 1.142 408 G CA -0.309 45.031 45.100 0.400 0.000 0.759 408 G HN 0.263 nan 8.290 nan 0.000 0.550 409 H N 2.129 121.347 119.070 0.246 0.000 2.964 409 H HA 0.065 4.621 4.556 -0.000 0.000 0.328 409 H C -1.104 174.182 175.328 -0.070 0.000 1.030 409 H CA -1.018 55.016 56.048 -0.022 0.000 1.445 409 H CB 1.981 31.754 29.762 0.019 0.000 1.449 409 H HN 0.032 nan 8.280 nan 0.000 0.581 410 P HA -0.126 nan 4.420 nan 0.000 0.225 410 P C 0.658 178.178 177.300 0.367 0.000 1.148 410 P CA 1.026 64.109 63.100 -0.029 0.000 0.779 410 P CB 0.096 31.684 31.700 -0.186 0.000 0.780 411 W N 0.290 121.777 121.300 0.312 0.000 3.220 411 W HA 0.503 5.163 4.660 -0.000 0.000 0.328 411 W C 1.114 177.678 176.519 0.075 0.000 1.205 411 W CA 0.398 57.842 57.345 0.166 0.000 1.773 411 W CB -0.658 28.888 29.460 0.143 0.000 1.086 411 W HN 0.048 nan 8.180 nan 0.000 0.622 412 G N 0.985 109.961 108.800 0.293 0.000 2.549 412 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.404 412 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.404 412 G C 0.649 175.581 174.900 0.052 0.000 1.292 412 G CA -0.162 45.021 45.100 0.138 0.000 0.935 412 G HN -0.030 nan 8.290 nan 0.000 0.512 413 N N 0.008 118.714 118.700 0.011 0.000 2.142 413 N HA 0.034 4.774 4.740 -0.000 0.000 0.186 413 N C 2.715 178.170 175.510 -0.092 0.000 1.023 413 N CA 2.498 55.531 53.050 -0.028 0.000 0.852 413 N CB -0.706 37.758 38.487 -0.040 0.000 0.998 413 N HN 1.074 nan 8.380 nan 0.000 0.424 414 A N 1.541 124.293 122.820 -0.114 0.000 1.877 414 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 414 A C -0.163 177.328 177.584 -0.156 0.000 1.186 414 A CA 1.345 53.298 52.037 -0.140 0.000 0.620 414 A CB -1.538 17.374 19.000 -0.146 0.000 0.822 414 A HN 0.216 nan 8.150 nan 0.000 0.443 415 P HA -0.095 nan 4.420 nan 0.000 0.215 415 P C 1.751 178.674 177.300 -0.629 0.000 1.153 415 P CA 1.708 64.609 63.100 -0.331 0.000 0.853 415 P CB -0.337 31.217 31.700 -0.243 0.000 0.788 416 G N 0.175 108.605 108.800 -0.616 0.000 2.446 416 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 416 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 416 G C 1.669 176.489 174.900 -0.133 0.000 1.168 416 G CA 1.061 45.990 45.100 -0.284 0.000 0.771 416 G HN 0.319 nan 8.290 nan 0.000 0.551 417 A N 1.172 123.916 122.820 -0.127 0.000 1.877 417 A HA 0.245 4.565 4.320 -0.000 0.000 0.216 417 A C 2.838 180.349 177.584 -0.121 0.000 1.186 417 A CA 2.387 54.362 52.037 -0.104 0.000 0.620 417 A CB -0.860 18.085 19.000 -0.092 0.000 0.822 417 A HN 0.848 nan 8.150 nan 0.000 0.443 418 A N -0.167 122.573 122.820 -0.133 0.000 1.902 418 A HA 0.150 4.470 4.320 -0.000 0.000 0.217 418 A C 2.508 180.030 177.584 -0.103 0.000 1.181 418 A CA 2.133 54.106 52.037 -0.105 0.000 0.623 418 A CB -1.027 17.913 19.000 -0.100 0.000 0.818 418 A HN 1.070 nan 8.150 nan 0.000 0.443 419 A N 0.399 123.139 122.820 -0.133 0.000 1.883 419 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 419 A C 1.901 179.403 177.584 -0.137 0.000 1.186 419 A CA 1.920 53.894 52.037 -0.105 0.000 0.624 419 A CB -0.918 18.058 19.000 -0.040 0.000 0.822 419 A HN 0.708 nan 8.150 nan 0.000 0.444 420 N N -1.157 117.423 118.700 -0.199 0.000 2.120 420 N HA -0.180 4.560 4.740 -0.000 0.000 0.188 420 N C 1.973 177.350 175.510 -0.223 0.000 1.024 420 N CA 1.441 54.278 53.050 -0.354 0.000 0.852 420 N CB -0.146 38.010 38.487 -0.552 0.000 1.003 420 N HN 0.440 nan 8.380 nan 0.000 0.424 421 R N 1.197 121.616 120.500 -0.136 0.000 2.075 421 R HA 0.001 4.341 4.340 -0.000 0.000 0.232 421 R C 1.745 178.020 176.300 -0.040 0.000 1.126 421 R CA 1.026 57.081 56.100 -0.076 0.000 0.963 421 R CB -0.774 29.492 30.300 -0.058 0.000 0.858 421 R HN 0.013 nan 8.270 nan 0.000 0.435 422 V N 1.059 120.962 119.914 -0.019 0.000 2.255 422 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 422 V C 2.393 178.486 176.094 -0.002 0.000 1.051 422 V CA 2.089 64.414 62.300 0.041 0.000 1.018 422 V CB -1.106 30.786 31.823 0.115 0.000 0.641 422 V HN 0.555 nan 8.190 nan 0.000 0.445 423 A N -0.200 122.587 122.820 -0.054 0.000 1.883 423 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 423 A C 2.193 179.749 177.584 -0.046 0.000 1.186 423 A CA 2.335 54.326 52.037 -0.076 0.000 0.624 423 A CB -0.683 18.235 19.000 -0.136 0.000 0.822 423 A HN 0.472 nan 8.150 nan 0.000 0.444 424 L N 0.038 121.233 121.223 -0.046 0.000 2.017 424 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 424 L C 2.222 179.090 176.870 -0.002 0.000 1.073 424 L CA 2.530 57.367 54.840 -0.006 0.000 0.745 424 L CB -0.642 41.419 42.059 0.003 0.000 0.894 424 L HN 0.529 nan 8.230 nan 0.000 0.432 425 E N -0.525 119.668 120.200 -0.012 0.000 2.106 425 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 425 E C 2.128 178.711 176.600 -0.028 0.000 0.984 425 E CA 1.007 57.398 56.400 -0.015 0.000 0.806 425 E CB -0.249 29.442 29.700 -0.014 0.000 0.750 425 E HN 0.681 nan 8.360 nan 0.000 0.458 426 A N 0.835 123.635 122.820 -0.034 0.000 1.873 426 A HA -0.167 4.153 4.320 -0.000 0.000 0.215 426 A C 2.444 180.010 177.584 -0.030 0.000 1.186 426 A CA 1.036 53.043 52.037 -0.051 0.000 0.616 426 A CB -0.807 18.163 19.000 -0.050 0.000 0.823 426 A HN 0.340 nan 8.150 nan 0.000 0.442 427 C N -0.929 118.364 119.300 -0.011 0.000 2.413 427 C HA -0.088 4.372 4.460 -0.000 0.000 0.277 427 C C 3.044 178.041 174.990 0.011 0.000 1.265 427 C CA 1.612 60.636 59.018 0.009 0.000 1.752 427 C CB -1.493 26.265 27.740 0.030 0.000 1.998 427 C HN 0.648 nan 8.230 nan 0.000 0.489 428 T N -0.092 114.467 114.554 0.009 0.000 2.737 428 T HA -0.219 4.131 4.350 -0.000 0.000 0.265 428 T C 1.860 176.561 174.700 0.001 0.000 1.038 428 T CA 1.591 63.698 62.100 0.013 0.000 1.144 428 T CB -0.374 68.503 68.868 0.015 0.000 0.866 428 T HN 0.667 nan 8.240 nan 0.000 0.434 429 Q N 0.752 120.543 119.800 -0.015 0.000 2.030 429 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 429 Q C 2.486 178.473 176.000 -0.022 0.000 0.986 429 Q CA 1.758 57.545 55.803 -0.027 0.000 0.843 429 Q CB -0.343 28.364 28.738 -0.052 0.000 0.904 429 Q HN 0.522 nan 8.270 nan 0.000 0.420 430 A N 1.355 124.163 122.820 -0.021 0.000 1.883 430 A HA -0.241 4.078 4.320 -0.000 0.000 0.217 430 A C 2.174 179.757 177.584 -0.003 0.000 1.186 430 A CA 1.633 53.662 52.037 -0.014 0.000 0.624 430 A CB -0.824 18.171 19.000 -0.008 0.000 0.822 430 A HN 0.441 nan 8.150 nan 0.000 0.444 431 R N 0.129 120.632 120.500 0.005 0.000 2.080 431 R HA -0.177 4.163 4.340 -0.000 0.000 0.236 431 R C 1.889 178.193 176.300 0.007 0.000 1.137 431 R CA 2.021 58.128 56.100 0.011 0.000 0.943 431 R CB -0.652 29.660 30.300 0.019 0.000 0.846 431 R HN 0.748 nan 8.270 nan 0.000 0.431 432 N N 0.107 118.809 118.700 0.004 0.000 2.272 432 N HA -0.164 4.576 4.740 -0.000 0.000 0.185 432 N C 1.110 176.619 175.510 -0.003 0.000 1.014 432 N CA 1.028 54.079 53.050 0.002 0.000 0.870 432 N CB -0.028 38.459 38.487 -0.000 0.000 0.975 432 N HN 0.436 nan 8.380 nan 0.000 0.433 433 E N -0.410 119.786 120.200 -0.007 0.000 2.502 433 E HA 0.030 4.380 4.350 -0.000 0.000 0.194 433 E C 0.984 177.581 176.600 -0.005 0.000 1.062 433 E CA 0.123 56.517 56.400 -0.009 0.000 0.867 433 E CB 0.295 29.985 29.700 -0.016 0.000 0.888 433 E HN 0.460 nan 8.360 nan 0.000 0.510 434 G N 1.695 110.495 108.800 -0.001 0.000 2.176 434 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.232 434 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.232 434 G C 0.188 175.090 174.900 0.004 0.000 0.986 434 G CA -0.395 44.706 45.100 0.002 0.000 0.643 434 G HN 0.076 nan 8.290 nan 0.000 0.522 435 R N 0.824 121.327 120.500 0.004 0.000 2.594 435 R HA 0.266 4.605 4.340 -0.000 0.000 0.272 435 R C -0.619 175.688 176.300 0.012 0.000 1.074 435 R CA -0.292 55.812 56.100 0.007 0.000 1.105 435 R CB 0.620 30.924 30.300 0.007 0.000 1.008 435 R HN 0.248 nan 8.270 nan 0.000 0.472 436 D N 3.689 124.098 120.400 0.015 0.000 2.380 436 D HA 0.046 4.686 4.640 -0.000 0.000 0.230 436 D C 1.088 177.403 176.300 0.025 0.000 1.154 436 D CA -0.121 53.890 54.000 0.017 0.000 0.859 436 D CB 0.863 41.672 40.800 0.015 0.000 1.045 436 D HN 0.419 nan 8.370 nan 0.000 0.495 437 L N 3.312 124.552 121.223 0.028 0.000 2.141 437 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 437 L C 2.547 179.445 176.870 0.046 0.000 1.094 437 L CA 0.931 55.795 54.840 0.040 0.000 0.763 437 L CB -0.255 41.830 42.059 0.044 0.000 0.908 437 L HN 0.428 nan 8.230 nan 0.000 0.437 438 A N 0.217 123.058 122.820 0.035 0.000 1.940 438 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 438 A C 2.408 180.014 177.584 0.038 0.000 1.176 438 A CA 1.734 53.792 52.037 0.035 0.000 0.631 438 A CB -0.338 18.674 19.000 0.020 0.000 0.814 438 A HN 0.367 nan 8.150 nan 0.000 0.446 439 R N -1.406 119.114 120.500 0.033 0.000 2.195 439 R HA 0.112 4.452 4.340 -0.000 0.000 0.197 439 R C 0.951 177.275 176.300 0.040 0.000 0.990 439 R CA 0.926 57.045 56.100 0.032 0.000 1.048 439 R CB 0.171 30.485 30.300 0.023 0.000 0.997 439 R HN 0.559 nan 8.270 nan 0.000 0.502 440 E N -0.485 119.740 120.200 0.042 0.000 2.548 440 E HA 0.120 4.470 4.350 -0.000 0.000 0.206 440 E C 1.243 177.880 176.600 0.060 0.000 1.005 440 E CA -0.088 56.339 56.400 0.046 0.000 0.951 440 E CB 1.164 30.884 29.700 0.033 0.000 1.035 440 E HN 0.330 nan 8.360 nan 0.000 0.470 441 G N 1.368 110.211 108.800 0.073 0.000 2.440 441 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 441 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 441 G C 1.497 176.473 174.900 0.127 0.000 1.154 441 G CA 0.833 45.987 45.100 0.091 0.000 0.767 441 G HN 0.389 nan 8.290 nan 0.000 0.552 442 G N 1.027 109.923 108.800 0.160 0.000 2.476 442 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.218 442 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.218 442 G C 1.475 176.495 174.900 0.199 0.000 1.164 442 G CA 1.453 46.696 45.100 0.238 0.000 0.768 442 G HN 0.355 nan 8.290 nan 0.000 0.560 443 D N 0.145 120.618 120.400 0.122 0.000 2.123 443 D HA -0.095 4.545 4.640 -0.000 0.000 0.196 443 D C 2.782 179.120 176.300 0.064 0.000 0.992 443 D CA 0.888 54.941 54.000 0.088 0.000 0.833 443 D CB -0.585 40.250 40.800 0.059 0.000 0.954 443 D HN 0.227 nan 8.370 nan 0.000 0.455 444 V N 1.479 121.423 119.914 0.051 0.000 2.287 444 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 444 V C 2.460 178.553 176.094 -0.002 0.000 1.053 444 V CA 1.045 63.356 62.300 0.019 0.000 1.027 444 V CB -0.258 31.575 31.823 0.016 0.000 0.646 444 V HN 0.179 nan 8.190 nan 0.000 0.447 445 I N -0.177 120.388 120.570 -0.009 0.000 2.202 445 I HA -0.170 4.000 4.170 -0.000 0.000 0.242 445 I C 2.661 178.697 176.117 -0.134 0.000 1.091 445 I CA 1.560 62.778 61.300 -0.136 0.000 1.368 445 I CB -1.220 36.614 38.000 -0.277 0.000 1.058 445 I HN 0.302 nan 8.210 nan 0.000 0.410 446 R N 0.415 120.925 120.500 0.016 0.000 2.091 446 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 446 R C 2.508 178.839 176.300 0.052 0.000 1.136 446 R CA 1.863 58.014 56.100 0.084 0.000 0.959 446 R CB -0.271 30.136 30.300 0.178 0.000 0.856 446 R HN 0.296 nan 8.270 nan 0.000 0.437 447 S N 0.445 116.171 115.700 0.044 0.000 2.368 447 S HA -0.141 4.329 4.470 -0.000 0.000 0.225 447 S C 2.038 176.683 174.600 0.074 0.000 1.030 447 S CA 1.232 59.462 58.200 0.049 0.000 0.999 447 S CB -0.160 63.052 63.200 0.021 0.000 0.844 447 S HN 0.493 nan 8.310 nan 0.000 0.459 448 A N 0.797 123.642 122.820 0.043 0.000 1.898 448 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 448 A C 2.414 180.068 177.584 0.117 0.000 1.181 448 A CA 1.554 53.650 52.037 0.098 0.000 0.620 448 A CB -1.327 17.688 19.000 0.025 0.000 0.819 448 A HN 0.640 nan 8.150 nan 0.000 0.442 449 c N -0.400 118.200 118.600 -0.001 0.000 2.401 449 c HA -0.125 4.445 4.570 -0.000 0.000 0.276 449 c C 2.635 176.744 174.090 0.031 0.000 1.233 449 c CA 1.333 57.645 56.329 -0.028 0.000 1.753 449 c CB -1.194 41.271 42.510 -0.075 0.000 2.029 449 c HN 0.607 nan 8.230 nan 0.000 0.478 450 K N -0.920 119.526 120.400 0.076 0.000 2.148 450 K HA -0.188 4.131 4.320 -0.000 0.000 0.204 450 K C 1.846 178.524 176.600 0.130 0.000 1.050 450 K CA 1.704 58.045 56.287 0.090 0.000 0.942 450 K CB -0.200 32.358 32.500 0.098 0.000 0.724 450 K HN 0.728 nan 8.250 nan 0.000 0.446 451 W N 1.369 122.661 121.300 -0.014 0.000 2.443 451 W HA 0.016 4.676 4.660 -0.000 0.000 0.296 451 W C 0.667 177.182 176.519 -0.006 0.000 1.202 451 W CA 0.778 58.117 57.345 -0.010 0.000 1.312 451 W CB 0.145 29.595 29.460 -0.015 0.000 1.120 451 W HN -0.216 nan 8.180 nan 0.000 0.536 452 S N 0.808 116.423 115.700 -0.143 0.000 2.438 452 S HA 0.312 4.782 4.470 -0.000 0.000 0.316 452 S C -1.630 172.856 174.600 -0.190 0.000 1.084 452 S CA -1.538 56.437 58.200 -0.375 0.000 1.107 452 S CB 1.425 64.506 63.200 -0.198 0.000 0.981 452 S HN -0.138 nan 8.310 nan 0.000 0.466 453 P HA -0.045 nan 4.420 nan 0.000 0.218 453 P C 0.892 178.123 177.300 -0.115 0.000 1.149 453 P CA 0.992 64.087 63.100 -0.008 0.000 0.817 453 P CB 0.192 31.982 31.700 0.150 0.000 0.785 454 E N -0.574 119.558 120.200 -0.113 0.000 2.051 454 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 454 E C 1.847 178.323 176.600 -0.208 0.000 0.991 454 E CA 0.836 57.086 56.400 -0.250 0.000 0.799 454 E CB -1.286 28.335 29.700 -0.132 0.000 0.748 454 E HN 0.112 nan 8.360 nan 0.000 0.449 455 L N 0.507 121.640 121.223 -0.149 0.000 2.056 455 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 455 L C 2.042 178.805 176.870 -0.178 0.000 1.078 455 L CA 2.015 56.777 54.840 -0.129 0.000 0.749 455 L CB -0.948 41.055 42.059 -0.093 0.000 0.901 455 L HN 0.110 nan 8.230 nan 0.000 0.433 456 A N -0.206 122.512 122.820 -0.171 0.000 1.917 456 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 456 A C 2.469 179.913 177.584 -0.232 0.000 1.182 456 A CA 2.172 54.118 52.037 -0.151 0.000 0.633 456 A CB -1.273 17.675 19.000 -0.087 0.000 0.819 456 A HN 0.606 nan 8.150 nan 0.000 0.448 457 A N -0.486 122.087 122.820 -0.413 0.000 1.933 457 A HA 0.192 4.512 4.320 -0.000 0.000 0.218 457 A C 2.466 179.648 177.584 -0.671 0.000 1.175 457 A CA 2.019 53.682 52.037 -0.623 0.000 0.628 457 A CB -0.868 17.392 19.000 -1.233 0.000 0.814 457 A HN 1.054 nan 8.150 nan 0.000 0.444 458 A N -0.972 121.523 122.820 -0.542 0.000 1.897 458 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 458 A C 2.289 179.771 177.584 -0.169 0.000 1.181 458 A CA 1.491 53.285 52.037 -0.405 0.000 0.620 458 A CB -1.251 17.768 19.000 0.032 0.000 0.821 458 A HN 0.581 nan 8.150 nan 0.000 0.443 459 c N -0.593 117.928 118.600 -0.133 0.000 2.398 459 c HA -0.108 4.462 4.570 -0.000 0.000 0.276 459 c C 2.730 176.986 174.090 0.276 0.000 1.222 459 c CA 1.254 57.610 56.329 0.046 0.000 1.746 459 c CB -1.069 41.388 42.510 -0.088 0.000 2.039 459 c HN 0.587 nan 8.230 nan 0.000 0.470 460 E N 0.731 120.937 120.200 0.010 0.000 2.077 460 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 460 E C 2.342 178.861 176.600 -0.136 0.000 0.989 460 E CA 1.818 58.196 56.400 -0.037 0.000 0.800 460 E CB -0.562 29.077 29.700 -0.103 0.000 0.746 460 E HN 0.676 nan 8.360 nan 0.000 0.452 461 V N -2.073 117.629 119.914 -0.353 0.000 2.427 461 V HA -0.114 4.006 4.120 -0.000 0.000 0.248 461 V C 1.663 177.495 176.094 -0.437 0.000 1.051 461 V CA 1.340 63.305 62.300 -0.558 0.000 1.048 461 V CB -0.644 30.538 31.823 -1.068 0.000 0.666 461 V HN 0.211 nan 8.190 nan 0.000 0.456 462 W N 0.384 121.617 121.300 -0.110 0.000 3.005 462 W HA 0.443 5.103 4.660 -0.000 0.000 0.374 462 W C 1.978 178.362 176.519 -0.224 0.000 1.076 462 W CA -0.791 56.396 57.345 -0.263 0.000 1.794 462 W CB -0.074 29.029 29.460 -0.596 0.000 1.113 462 W HN 0.314 nan 8.180 nan 0.000 0.584 463 K N 1.255 121.699 120.400 0.074 0.000 2.077 463 K HA -0.234 4.086 4.320 -0.000 0.000 0.213 463 K C 1.310 177.699 176.600 -0.350 0.000 1.051 463 K CA 1.911 58.047 56.287 -0.251 0.000 0.929 463 K CB 0.269 32.679 32.500 -0.150 0.000 0.715 463 K HN -0.149 nan 8.250 nan 0.000 0.451 464 E N 0.217 120.311 120.200 -0.176 0.000 2.489 464 E HA 0.020 4.370 4.350 -0.000 0.000 0.193 464 E C -0.015 176.519 176.600 -0.111 0.000 1.057 464 E CA 0.168 56.474 56.400 -0.155 0.000 0.866 464 E CB 0.264 29.896 29.700 -0.112 0.000 0.916 464 E HN 0.254 nan 8.360 nan 0.000 0.500 465 I N 1.916 122.456 120.570 -0.051 0.000 2.337 465 I HA 0.184 4.354 4.170 -0.000 0.000 0.291 465 I C 0.373 176.504 176.117 0.024 0.000 1.046 465 I CA -0.041 61.247 61.300 -0.019 0.000 1.324 465 I CB 0.147 38.194 38.000 0.078 0.000 1.409 465 I HN -0.272 nan 8.210 nan 0.000 0.494 466 K N 5.517 125.790 120.400 -0.212 0.000 2.482 466 K HA 0.618 4.938 4.320 -0.000 0.000 0.257 466 K C -1.473 174.882 176.600 -0.407 0.000 0.969 466 K CA -0.580 55.632 56.287 -0.125 0.000 0.842 466 K CB 2.591 35.057 32.500 -0.057 0.000 1.359 466 K HN 0.165 nan 8.250 nan 0.000 0.441 467 F N 1.602 121.661 119.950 0.181 0.000 2.532 467 F HA 0.310 4.837 4.527 -0.000 0.000 0.365 467 F C -0.488 175.405 175.800 0.155 0.000 1.112 467 F CA -0.556 57.570 58.000 0.210 0.000 1.082 467 F CB 1.518 40.660 39.000 0.237 0.000 1.319 467 F HN 0.270 nan 8.300 nan 0.000 0.457 468 E N 3.849 124.090 120.200 0.068 0.000 2.279 468 E HA 0.539 4.889 4.350 -0.000 0.000 0.252 468 E C -1.320 175.117 176.600 -0.272 0.000 0.894 468 E CA -0.466 55.922 56.400 -0.019 0.000 0.785 468 E CB 1.914 31.573 29.700 -0.069 0.000 1.237 468 E HN 0.331 nan 8.360 nan 0.000 0.418 469 F N 0.384 120.384 119.950 0.084 0.000 2.629 469 F HA 0.212 4.739 4.527 -0.000 0.000 0.316 469 F C 0.120 175.952 175.800 0.054 0.000 1.081 469 F CA -1.146 56.894 58.000 0.067 0.000 0.954 469 F CB 1.472 40.518 39.000 0.077 0.000 1.337 469 F HN 0.261 nan 8.300 nan 0.000 0.474 470 D N 0.715 121.266 120.400 0.251 0.000 2.455 470 D HA 0.139 4.779 4.640 -0.000 0.000 0.241 470 D C -0.512 175.877 176.300 0.148 0.000 1.138 470 D CA 0.459 54.552 54.000 0.155 0.000 0.877 470 D CB 0.813 41.686 40.800 0.121 0.000 1.187 470 D HN 0.400 nan 8.370 nan 0.000 0.451 471 T N 5.672 120.294 114.554 0.113 0.000 2.794 471 T HA 0.126 4.475 4.350 -0.000 0.000 0.296 471 T C 1.429 176.179 174.700 0.083 0.000 0.949 471 T CA -0.744 61.415 62.100 0.099 0.000 1.101 471 T CB 0.759 69.683 68.868 0.093 0.000 0.905 471 T HN 0.292 nan 8.240 nan 0.000 0.516 472 I N 1.769 122.383 120.570 0.072 0.000 2.235 472 I HA 0.002 4.172 4.170 -0.000 0.000 0.241 472 I C 1.431 177.597 176.117 0.082 0.000 1.085 472 I CA 0.952 62.291 61.300 0.065 0.000 1.378 472 I CB -0.697 37.328 38.000 0.043 0.000 1.076 472 I HN 0.577 nan 8.210 nan 0.000 0.415 473 D N 2.841 123.297 120.400 0.094 0.000 2.608 473 D HA 0.074 4.714 4.640 -0.000 0.000 0.224 473 D C -0.000 176.397 176.300 0.162 0.000 1.123 473 D CA 0.170 54.252 54.000 0.136 0.000 1.030 473 D CB -0.226 40.656 40.800 0.137 0.000 1.093 473 D HN 0.083 nan 8.370 nan 0.000 0.497 474 K N 1.991 122.470 120.400 0.132 0.000 2.110 474 K HA 0.351 4.671 4.320 -0.000 0.000 0.263 474 K C 0.595 177.267 176.600 0.120 0.000 0.975 474 K CA -0.901 55.455 56.287 0.114 0.000 0.895 474 K CB 1.669 34.218 32.500 0.082 0.000 1.060 474 K HN 0.264 nan 8.250 nan 0.000 0.448 475 L N 0.000 121.282 121.223 0.098 0.000 2.949 475 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 475 L CA 0.000 54.887 54.840 0.079 0.000 0.813 475 L CB 0.000 42.081 42.059 0.036 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502