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 1cbg_1_A DATA FIRST_RESID 1 DATA SEQUENCE FKPLPISFDD FSDLNRSCFA PGFVFGTASS AFQYEGAAFE DGKGPSIWDT DATA SEQUENCE FTHKYPEKIK DRTNGDVAID EYHRYKEDIG IMKDMNLDAY RFSISWPRVL DATA SEQUENCE PKGKLSGGVN REGINYYNNL INEVLANGMQ PYVTLFHWDV PQALEDEYRG DATA SEQUENCE FLGRNIVDDF RDYAELCFKE FGDRVKHWIT LNEPWGVSMN AYAYGTFAPG DATA SEQUENCE RcSDWLKLNc TGGDSGREPY LAAHYQLLAH AAAARLYKTK YQASQNGIIG DATA SEQUENCE ITLVSHWFEP ASKEKADVDA AKRGLDFMLG WFMHPLTKGR YPESMRYLVR DATA SEQUENCE KRLPKFSTEE SKELTGSFDF LGLNYYSSYY AAKAPRIPNA RPAIQTDSLI DATA SEQUENCE NATFEHNGKP LGPMAASSWL CIYPQGIRKL LLYVKNHYNN PVIYITENGR DATA SEQUENCE NEFNDPTLSL QESLLDTPRI DYYYRHLYYV LTAIGDGVNV KGYFAWSLFD DATA SEQUENCE NMEWDSGYTV RFGLVFVDFK NNLKRHPKLS AHWFKSFLKK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 F HA 0.000 nan 4.527 nan 0.000 0.279 1 F C 0.000 175.814 175.800 0.024 0.000 0.967 1 F CA 0.000 58.015 58.000 0.025 0.000 1.383 1 F CB 0.000 39.027 39.000 0.044 0.000 1.145 2 K N 6.234 126.721 120.400 0.146 0.000 2.565 2 K HA 0.573 4.893 4.320 -0.000 0.000 0.251 2 K C -2.617 174.014 176.600 0.052 0.000 0.956 2 K CA -1.673 54.701 56.287 0.145 0.000 0.809 2 K CB 1.851 34.380 32.500 0.047 0.000 1.267 2 K HN 0.301 nan 8.250 nan 0.000 0.438 3 P HA 0.071 nan 4.420 nan 0.000 0.273 3 P C -0.687 176.643 177.300 0.049 0.000 1.258 3 P CA -0.230 62.999 63.100 0.216 0.000 0.802 3 P CB 0.464 32.312 31.700 0.248 0.000 1.040 4 L N 0.535 121.803 121.223 0.076 0.000 2.307 4 L HA 0.355 4.695 4.340 -0.000 0.000 0.284 4 L C -1.833 175.025 176.870 -0.019 0.000 1.023 4 L CA -2.083 52.752 54.840 -0.010 0.000 0.810 4 L CB 0.956 43.008 42.059 -0.010 0.000 1.231 4 L HN 0.253 nan 8.230 nan 0.000 0.423 5 P HA 0.247 nan 4.420 nan 0.000 0.252 5 P C -0.226 176.989 177.300 -0.142 0.000 1.694 5 P CA 0.422 63.475 63.100 -0.079 0.000 1.163 5 P CB 0.537 32.194 31.700 -0.071 0.000 1.934 6 I N -0.374 120.074 120.570 -0.203 0.000 2.273 6 I HA 0.267 4.437 4.170 -0.000 0.000 0.274 6 I C 0.265 176.183 176.117 -0.333 0.000 0.416 6 I CA -0.571 60.507 61.300 -0.370 0.000 3.271 6 I CB 0.173 37.738 38.000 -0.726 0.000 1.537 6 I HN 0.006 nan 8.210 nan 0.000 0.545 7 S N 0.135 115.592 115.700 -0.405 0.000 4.680 7 S HA 0.034 4.504 4.470 -0.000 0.000 0.050 7 S C -0.434 174.106 174.600 -0.099 0.000 0.877 7 S CA -0.584 57.512 58.200 -0.173 0.000 0.891 7 S CB -1.248 61.891 63.200 -0.101 0.000 0.342 7 S HN 0.319 nan 8.310 nan 0.000 0.806 8 F N 1.983 121.956 119.950 0.039 0.000 2.105 8 F HA -0.090 4.437 4.527 -0.000 0.000 0.354 8 F C 1.503 177.340 175.800 0.062 0.000 1.145 8 F CA 0.665 58.703 58.000 0.063 0.000 1.260 8 F CB -0.265 38.775 39.000 0.067 0.000 1.694 8 F HN 0.353 nan 8.300 nan 0.000 0.672 9 D N -0.483 120.007 120.400 0.150 0.000 2.277 9 D HA -0.080 4.560 4.640 -0.000 0.000 0.208 9 D C 0.809 177.192 176.300 0.139 0.000 0.962 9 D CA 1.008 55.076 54.000 0.113 0.000 0.865 9 D CB 0.119 40.953 40.800 0.057 0.000 0.939 9 D HN 0.373 nan 8.370 nan 0.000 0.510 10 D N -1.697 118.814 120.400 0.185 0.000 2.581 10 D HA 0.033 4.672 4.640 -0.000 0.000 0.232 10 D C 0.087 176.590 176.300 0.337 0.000 1.143 10 D CA -0.838 53.294 54.000 0.220 0.000 0.881 10 D CB 1.054 41.960 40.800 0.176 0.000 1.500 10 D HN -0.196 nan 8.370 nan 0.000 0.458 11 F N 1.799 121.873 119.950 0.207 0.000 2.234 11 F HA -0.102 4.425 4.527 -0.000 0.000 0.299 11 F C 2.165 178.232 175.800 0.445 0.000 1.087 11 F CA 2.035 60.204 58.000 0.281 0.000 1.340 11 F CB 0.015 39.117 39.000 0.169 0.000 1.031 11 F HN 0.355 nan 8.300 nan 0.000 0.500 12 S N -1.284 114.643 115.700 0.378 0.000 2.607 12 S HA -0.080 4.389 4.470 -0.000 0.000 0.224 12 S C 1.390 176.083 174.600 0.155 0.000 0.969 12 S CA 0.757 59.110 58.200 0.254 0.000 0.927 12 S CB -0.581 62.749 63.200 0.216 0.000 0.772 12 S HN 0.336 nan 8.310 nan 0.000 0.533 13 D N 1.055 121.569 120.400 0.190 0.000 2.269 13 D HA 0.108 4.747 4.640 -0.000 0.000 0.208 13 D C 0.289 176.662 176.300 0.122 0.000 0.963 13 D CA 0.397 54.464 54.000 0.112 0.000 0.864 13 D CB -0.134 40.719 40.800 0.089 0.000 0.936 13 D HN 0.422 nan 8.370 nan 0.000 0.505 14 L N 1.870 123.232 121.223 0.231 0.000 2.259 14 L HA 0.281 4.620 4.340 -0.000 0.000 0.288 14 L C -0.497 176.378 176.870 0.009 0.000 1.051 14 L CA -0.253 54.686 54.840 0.165 0.000 0.824 14 L CB 0.145 42.156 42.059 -0.081 0.000 1.206 14 L HN -0.071 nan 8.230 nan 0.000 0.429 15 N N 1.814 120.353 118.700 -0.268 0.000 3.039 15 N HA 0.336 5.076 4.740 -0.000 0.000 0.257 15 N C 0.281 175.197 175.510 -0.989 0.000 1.497 15 N CA -0.556 51.928 53.050 -0.943 0.000 0.861 15 N CB 0.515 38.687 38.487 -0.525 0.000 1.479 15 N HN 0.370 nan 8.380 nan 0.000 0.547 16 R N -0.787 118.983 120.500 -1.217 0.000 2.241 16 R HA -0.071 4.269 4.340 -0.000 0.000 0.224 16 R C 0.796 177.037 176.300 -0.099 0.000 1.101 16 R CA 1.873 57.648 56.100 -0.542 0.000 0.995 16 R CB -0.540 29.462 30.300 -0.496 0.000 0.870 16 R HN 0.621 nan 8.270 nan 0.000 0.463 17 S N -0.443 115.161 115.700 -0.160 0.000 2.515 17 S HA -0.064 4.406 4.470 -0.000 0.000 0.231 17 S C 1.804 176.360 174.600 -0.073 0.000 0.987 17 S CA 0.585 58.733 58.200 -0.088 0.000 0.936 17 S CB -0.346 62.786 63.200 -0.114 0.000 0.766 17 S HN 0.499 nan 8.310 nan 0.000 0.528 18 C N 0.639 119.887 119.300 -0.087 0.000 2.446 18 C HA 0.350 4.810 4.460 -0.000 0.000 0.279 18 C C 0.769 175.566 174.990 -0.321 0.000 1.366 18 C CA -0.408 58.487 59.018 -0.205 0.000 1.763 18 C CB -1.493 26.092 27.740 -0.259 0.000 1.929 18 C HN 0.549 nan 8.230 nan 0.000 0.509 19 F N 0.595 120.448 119.950 -0.162 0.000 2.403 19 F HA 0.542 5.068 4.527 -0.000 0.000 0.326 19 F C 0.863 176.603 175.800 -0.100 0.000 1.081 19 F CA -0.707 57.161 58.000 -0.220 0.000 1.041 19 F CB 0.230 39.012 39.000 -0.363 0.000 1.234 19 F HN 0.013 nan 8.300 nan 0.000 0.503 20 A N 2.449 125.343 122.820 0.123 0.000 2.507 20 A HA 0.222 4.542 4.320 -0.000 0.000 0.235 20 A C -1.530 176.148 177.584 0.157 0.000 1.070 20 A CA -0.934 51.171 52.037 0.114 0.000 0.768 20 A CB -0.456 18.617 19.000 0.121 0.000 1.011 20 A HN 0.610 nan 8.150 nan 0.000 0.502 21 P HA -0.098 nan 4.420 nan 0.000 0.219 21 P C 1.275 178.636 177.300 0.101 0.000 1.146 21 P CA 1.845 64.998 63.100 0.087 0.000 0.808 21 P CB 0.014 31.743 31.700 0.047 0.000 0.779 22 G N -1.947 106.917 108.800 0.107 0.000 2.880 22 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.209 22 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.209 22 G C 0.126 175.084 174.900 0.096 0.000 1.157 22 G CA -0.368 44.785 45.100 0.089 0.000 0.779 22 G HN 0.174 nan 8.290 nan 0.000 0.539 23 F N 1.713 121.644 119.950 -0.031 0.000 2.607 23 F HA 0.306 4.832 4.527 -0.000 0.000 0.374 23 F C 0.320 175.975 175.800 -0.240 0.000 1.104 23 F CA -0.162 57.750 58.000 -0.146 0.000 1.296 23 F CB 0.979 39.879 39.000 -0.166 0.000 1.085 23 F HN -0.182 nan 8.300 nan 0.000 0.584 24 V N 7.213 126.738 119.914 -0.649 0.000 2.407 24 V HA 0.240 4.359 4.120 -0.000 0.000 0.278 24 V C -0.504 175.164 176.094 -0.711 0.000 1.037 24 V CA -0.529 61.471 62.300 -0.500 0.000 0.900 24 V CB 0.863 32.461 31.823 -0.375 0.000 0.983 24 V HN 0.494 nan 8.190 nan 0.000 0.459 25 F N 3.055 122.827 119.950 -0.296 0.000 2.467 25 F HA 0.826 5.353 4.527 -0.000 0.000 0.336 25 F C 0.724 176.273 175.800 -0.419 0.000 1.123 25 F CA -0.172 57.673 58.000 -0.258 0.000 0.964 25 F CB 2.082 41.024 39.000 -0.095 0.000 1.136 25 F HN 0.654 nan 8.300 nan 0.000 0.447 26 G N 0.610 109.147 108.800 -0.439 0.000 2.870 26 G HA2 0.658 4.618 3.960 -0.000 0.000 0.299 26 G HA3 0.658 4.618 3.960 -0.000 0.000 0.299 26 G C -1.283 173.594 174.900 -0.039 0.000 1.324 26 G CA -0.659 44.212 45.100 -0.381 0.000 0.808 26 G HN 0.610 nan 8.290 nan 0.000 0.535 27 T N -2.972 111.719 114.554 0.229 0.000 2.906 27 T HA 0.827 5.177 4.350 -0.000 0.000 0.295 27 T C -0.423 174.549 174.700 0.453 0.000 1.061 27 T CA 0.046 62.322 62.100 0.292 0.000 1.000 27 T CB 1.835 70.785 68.868 0.137 0.000 1.103 27 T HN 1.796 nan 8.240 nan 0.000 0.486 28 A N 1.287 124.260 122.820 0.255 0.000 2.384 28 A HA 1.005 5.325 4.320 -0.000 0.000 0.312 28 A C 0.075 177.489 177.584 -0.283 0.000 1.113 28 A CA -0.347 51.764 52.037 0.125 0.000 0.779 28 A CB 1.509 20.662 19.000 0.256 0.000 1.307 28 A HN 2.008 nan 8.150 nan 0.000 0.436 29 S N -0.362 115.158 115.700 -0.300 0.000 2.727 29 S HA 0.856 5.326 4.470 -0.000 0.000 0.278 29 S C -0.568 173.868 174.600 -0.274 0.000 1.186 29 S CA 0.171 57.946 58.200 -0.709 0.000 0.836 29 S CB 0.984 63.350 63.200 -1.390 0.000 1.186 29 S HN 2.306 nan 8.310 nan 0.000 0.499 30 S N -0.307 115.178 115.700 -0.359 0.000 2.595 30 S HA 0.820 5.290 4.470 -0.000 0.000 0.281 30 S C 0.970 175.483 174.600 -0.145 0.000 1.117 30 S CA -0.383 57.588 58.200 -0.381 0.000 0.873 30 S CB 1.093 63.721 63.200 -0.953 0.000 1.108 30 S HN 1.803 nan 8.310 nan 0.000 0.477 31 A N 1.251 124.071 122.820 0.001 0.000 1.877 31 A HA 0.068 4.388 4.320 -0.000 0.000 0.216 31 A C 1.777 179.438 177.584 0.128 0.000 1.186 31 A CA 1.596 53.728 52.037 0.158 0.000 0.620 31 A CB -1.189 17.970 19.000 0.264 0.000 0.822 31 A HN 1.040 nan 8.150 nan 0.000 0.443 32 F N 0.713 120.640 119.950 -0.039 0.000 2.171 32 F HA -0.162 4.365 4.527 -0.000 0.000 0.300 32 F C 2.413 178.081 175.800 -0.219 0.000 1.090 32 F CA 2.117 60.053 58.000 -0.106 0.000 1.293 32 F CB -0.278 38.648 39.000 -0.123 0.000 1.013 32 F HN 0.319 nan 8.300 nan 0.000 0.486 33 Q N -1.838 117.745 119.800 -0.361 0.000 2.245 33 Q HA -0.145 4.195 4.340 -0.000 0.000 0.201 33 Q C 1.367 177.365 176.000 -0.003 0.000 0.955 33 Q CA 1.229 56.821 55.803 -0.351 0.000 0.870 33 Q CB -0.072 28.518 28.738 -0.246 0.000 0.945 33 Q HN 0.454 nan 8.270 nan 0.000 0.461 34 Y N -0.081 120.130 120.300 -0.148 0.000 2.609 34 Y HA 0.112 4.662 4.550 -0.000 0.000 0.281 34 Y C 1.774 177.659 175.900 -0.025 0.000 1.132 34 Y CA -0.042 58.028 58.100 -0.050 0.000 1.264 34 Y CB 0.310 38.794 38.460 0.040 0.000 1.325 34 Y HN 0.025 nan 8.280 nan 0.000 0.514 35 E N 0.082 120.380 120.200 0.164 0.000 2.038 35 E HA 0.067 4.417 4.350 -0.000 0.000 0.195 35 E C 1.415 178.027 176.600 0.020 0.000 1.000 35 E CA 1.074 57.535 56.400 0.102 0.000 0.803 35 E CB -0.348 29.404 29.700 0.087 0.000 0.750 35 E HN 0.432 nan 8.360 nan 0.000 0.448 36 G N 0.357 109.139 108.800 -0.031 0.000 2.584 36 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.229 36 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.229 36 G C 0.256 175.104 174.900 -0.087 0.000 1.320 36 G CA 0.044 45.131 45.100 -0.022 0.000 0.891 36 G HN 1.016 nan 8.290 nan 0.000 0.573 37 A N -2.133 120.648 122.820 -0.065 0.000 2.511 37 A HA 0.151 4.471 4.320 -0.000 0.000 0.297 37 A C 2.287 179.750 177.584 -0.202 0.000 1.476 37 A CA 1.842 53.754 52.037 -0.207 0.000 0.757 37 A CB -1.550 16.998 19.000 -0.754 0.000 1.072 37 A HN 2.700 nan 8.150 nan 0.000 0.413 38 A N -1.175 121.611 122.820 -0.058 0.000 2.015 38 A HA 0.264 4.583 4.320 -0.000 0.000 0.219 38 A C 1.306 178.705 177.584 -0.308 0.000 1.163 38 A CA 1.917 53.861 52.037 -0.155 0.000 0.646 38 A CB -0.306 18.605 19.000 -0.148 0.000 0.806 38 A HN 1.134 nan 8.150 nan 0.000 0.448 39 F N -0.793 119.148 119.950 -0.014 0.000 2.706 39 F HA 0.313 4.840 4.527 -0.000 0.000 0.313 39 F C 0.722 176.497 175.800 -0.041 0.000 1.096 39 F CA -0.400 57.594 58.000 -0.010 0.000 1.219 39 F CB 0.351 39.350 39.000 -0.002 0.000 1.051 39 F HN 0.154 nan 8.300 nan 0.000 0.568 40 E N 0.670 120.900 120.200 0.049 0.000 2.283 40 E HA 0.118 4.468 4.350 -0.000 0.000 0.271 40 E C -0.354 176.202 176.600 -0.074 0.000 1.031 40 E CA -0.291 56.096 56.400 -0.022 0.000 0.868 40 E CB 0.525 30.167 29.700 -0.096 0.000 1.094 40 E HN 0.022 nan 8.360 nan 0.000 0.401 41 D N 2.422 122.829 120.400 0.011 0.000 2.689 41 D HA -0.191 4.448 4.640 -0.000 0.000 0.237 41 D C 0.499 176.836 176.300 0.062 0.000 1.148 41 D CA 1.542 55.577 54.000 0.058 0.000 0.656 41 D CB -1.407 39.460 40.800 0.111 0.000 1.050 41 D HN 0.871 nan 8.370 nan 0.000 0.426 42 G N -0.196 108.641 108.800 0.061 0.000 2.155 42 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.257 42 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.257 42 G C 0.386 175.326 174.900 0.067 0.000 0.983 42 G CA 0.755 45.897 45.100 0.071 0.000 0.676 42 G HN 0.653 nan 8.290 nan 0.000 0.528 43 K N 0.642 121.066 120.400 0.040 0.000 2.270 43 K HA 0.523 4.842 4.320 -0.000 0.000 0.276 43 K C 1.021 177.636 176.600 0.025 0.000 1.023 43 K CA 0.208 56.517 56.287 0.036 0.000 0.955 43 K CB 0.273 32.763 32.500 -0.016 0.000 0.975 43 K HN 0.297 nan 8.250 nan 0.000 0.471 44 G N 3.323 112.139 108.800 0.027 0.000 2.462 44 G HA2 0.427 4.386 3.960 -0.000 0.000 0.319 44 G HA3 0.427 4.386 3.960 -0.000 0.000 0.319 44 G C -2.634 172.248 174.900 -0.030 0.000 1.171 44 G CA -1.500 43.602 45.100 0.004 0.000 0.920 44 G HN 0.485 nan 8.290 nan 0.000 0.499 45 P HA 0.220 nan 4.420 nan 0.000 0.275 45 P C 0.056 177.342 177.300 -0.024 0.000 1.227 45 P CA -0.337 62.728 63.100 -0.057 0.000 0.781 45 P CB 1.462 33.138 31.700 -0.041 0.000 0.906 46 S N 1.860 117.573 115.700 0.021 0.000 2.745 46 S HA 0.367 4.837 4.470 -0.000 0.000 0.292 46 S C 1.515 176.141 174.600 0.042 0.000 1.133 46 S CA -0.753 57.478 58.200 0.052 0.000 0.998 46 S CB 0.337 63.622 63.200 0.143 0.000 1.087 46 S HN 0.507 nan 8.310 nan 0.000 0.551 47 I N -2.981 117.607 120.570 0.029 0.000 2.493 47 I HA 0.076 4.246 4.170 -0.000 0.000 0.254 47 I C 1.654 177.698 176.117 -0.122 0.000 1.160 47 I CA 0.758 62.025 61.300 -0.055 0.000 1.445 47 I CB -0.357 37.573 38.000 -0.117 0.000 1.086 47 I HN 0.628 nan 8.210 nan 0.000 0.433 48 W N 2.098 123.334 121.300 -0.105 0.000 2.436 48 W HA -0.072 4.588 4.660 -0.000 0.000 0.284 48 W C 2.285 178.728 176.519 -0.127 0.000 1.225 48 W CA 0.976 58.174 57.345 -0.244 0.000 1.271 48 W CB -0.067 28.938 29.460 -0.759 0.000 1.114 48 W HN 0.142 nan 8.180 nan 0.000 0.559 49 D N -0.606 119.891 120.400 0.161 0.000 2.084 49 D HA -0.155 4.485 4.640 -0.000 0.000 0.194 49 D C 2.018 178.448 176.300 0.216 0.000 0.990 49 D CA 2.211 56.344 54.000 0.220 0.000 0.826 49 D CB -0.843 40.038 40.800 0.136 0.000 0.971 49 D HN 0.062 nan 8.370 nan 0.000 0.453 50 T N 0.929 115.581 114.554 0.162 0.000 2.708 50 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 50 T C 1.772 176.564 174.700 0.152 0.000 1.037 50 T CA 0.734 62.925 62.100 0.152 0.000 1.146 50 T CB -0.553 68.365 68.868 0.083 0.000 0.865 50 T HN 0.052 nan 8.240 nan 0.000 0.435 51 F N 2.594 122.510 119.950 -0.057 0.000 2.095 51 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 51 F C 2.733 178.553 175.800 0.033 0.000 1.104 51 F CA 1.876 59.846 58.000 -0.050 0.000 1.232 51 F CB -1.042 37.749 39.000 -0.348 0.000 0.987 51 F HN 0.278 nan 8.300 nan 0.000 0.475 52 T N -2.839 111.731 114.554 0.028 0.000 2.821 52 T HA -0.206 4.144 4.350 -0.000 0.000 0.267 52 T C 1.696 176.317 174.700 -0.131 0.000 1.046 52 T CA 1.980 64.042 62.100 -0.063 0.000 1.139 52 T CB -0.964 67.947 68.868 0.072 0.000 0.871 52 T HN 0.515 nan 8.240 nan 0.000 0.454 53 H N 0.281 119.403 119.070 0.088 0.000 2.448 53 H HA 0.342 4.898 4.556 -0.000 0.000 0.292 53 H C 2.423 177.719 175.328 -0.054 0.000 1.035 53 H CA 0.863 56.941 56.048 0.050 0.000 1.349 53 H CB 0.156 29.977 29.762 0.099 0.000 1.425 53 H HN 0.307 nan 8.280 nan 0.000 0.539 54 K N 0.466 120.841 120.400 -0.041 0.000 2.062 54 K HA -0.060 4.260 4.320 -0.000 0.000 0.205 54 K C -0.472 175.830 176.600 -0.496 0.000 1.051 54 K CA 0.937 57.030 56.287 -0.323 0.000 0.941 54 K CB 0.388 32.582 32.500 -0.510 0.000 0.719 54 K HN 0.247 nan 8.250 nan 0.000 0.440 55 Y N 0.094 120.308 120.300 -0.142 0.000 2.748 55 Y HA 0.286 4.836 4.550 -0.000 0.000 0.359 55 Y C -2.183 173.581 175.900 -0.228 0.000 1.030 55 Y CA -2.659 55.313 58.100 -0.214 0.000 1.169 55 Y CB 1.398 39.639 38.460 -0.365 0.000 1.127 55 Y HN 0.133 nan 8.280 nan 0.000 0.644 56 P HA -0.164 nan 4.420 nan 0.000 0.221 56 P C 1.315 178.627 177.300 0.020 0.000 1.150 56 P CA 1.286 64.394 63.100 0.014 0.000 0.800 56 P CB 0.431 32.155 31.700 0.040 0.000 0.787 57 E N 0.991 121.206 120.200 0.025 0.000 2.478 57 E HA -0.136 4.214 4.350 -0.000 0.000 0.198 57 E C 1.104 177.707 176.600 0.005 0.000 1.046 57 E CA 0.927 57.342 56.400 0.026 0.000 0.870 57 E CB -0.551 29.169 29.700 0.034 0.000 0.818 57 E HN 0.277 nan 8.360 nan 0.000 0.527 58 K N 0.414 120.785 120.400 -0.048 0.000 2.393 58 K HA 0.178 4.497 4.320 -0.000 0.000 0.193 58 K C 0.240 176.860 176.600 0.033 0.000 1.026 58 K CA 0.012 56.251 56.287 -0.079 0.000 1.064 58 K CB 0.602 32.900 32.500 -0.337 0.000 0.833 58 K HN 0.102 nan 8.250 nan 0.000 0.521 59 I N 1.869 122.474 120.570 0.059 0.000 2.354 59 I HA 0.106 4.275 4.170 -0.000 0.000 0.292 59 I C 1.058 177.253 176.117 0.130 0.000 0.989 59 I CA -0.478 60.909 61.300 0.145 0.000 1.188 59 I CB 1.560 39.654 38.000 0.156 0.000 1.342 59 I HN -0.166 nan 8.210 nan 0.000 0.457 60 K N 3.842 124.335 120.400 0.155 0.000 2.059 60 K HA -0.197 4.123 4.320 -0.000 0.000 0.212 60 K C 0.870 177.537 176.600 0.111 0.000 1.050 60 K CA 1.835 58.202 56.287 0.133 0.000 0.927 60 K CB -0.134 32.459 32.500 0.155 0.000 0.714 60 K HN 0.743 nan 8.250 nan 0.000 0.447 61 D N -0.729 119.744 120.400 0.122 0.000 2.395 61 D HA 0.032 4.672 4.640 -0.000 0.000 0.213 61 D C -0.410 175.947 176.300 0.095 0.000 1.110 61 D CA -0.282 53.780 54.000 0.103 0.000 0.835 61 D CB -0.046 40.824 40.800 0.116 0.000 0.965 61 D HN 0.060 nan 8.370 nan 0.000 0.505 62 R N -0.114 120.446 120.500 0.100 0.000 3.336 62 R HA -0.138 4.201 4.340 -0.000 0.000 0.260 62 R C -0.124 176.236 176.300 0.101 0.000 1.032 62 R CA 1.070 57.223 56.100 0.087 0.000 0.693 62 R CB -2.914 27.424 30.300 0.063 0.000 1.134 62 R HN 0.568 nan 8.270 nan 0.000 0.433 63 T N -2.064 112.577 114.554 0.144 0.000 2.870 63 T HA 0.641 4.991 4.350 -0.000 0.000 0.277 63 T C 0.215 175.038 174.700 0.204 0.000 1.000 63 T CA -0.494 61.713 62.100 0.179 0.000 0.982 63 T CB 2.195 71.239 68.868 0.293 0.000 1.249 63 T HN 0.453 nan 8.240 nan 0.000 0.589 64 N N -1.897 116.944 118.700 0.235 0.000 3.039 64 N HA 0.402 5.142 4.740 -0.000 0.000 0.257 64 N C 0.027 175.653 175.510 0.193 0.000 1.497 64 N CA -1.110 52.064 53.050 0.207 0.000 0.861 64 N CB 1.225 39.764 38.487 0.087 0.000 1.479 64 N HN 0.835 nan 8.380 nan 0.000 0.547 65 G N -0.653 108.209 108.800 0.103 0.000 3.523 65 G HA2 0.090 4.050 3.960 -0.000 0.000 0.270 65 G HA3 0.090 4.050 3.960 -0.000 0.000 0.270 65 G C -0.011 174.855 174.900 -0.056 0.000 1.134 65 G CA -0.109 44.838 45.100 -0.255 0.000 0.825 65 G HN 0.534 nan 8.290 nan 0.000 0.534 66 D N 0.396 120.884 120.400 0.148 0.000 2.104 66 D HA -0.109 4.531 4.640 -0.000 0.000 0.194 66 D C 2.449 178.819 176.300 0.117 0.000 0.994 66 D CA 1.053 55.184 54.000 0.217 0.000 0.830 66 D CB 0.252 41.260 40.800 0.345 0.000 0.959 66 D HN 0.265 nan 8.370 nan 0.000 0.452 67 V N -0.419 119.543 119.914 0.079 0.000 3.048 67 V HA 0.342 4.462 4.120 -0.000 0.000 0.241 67 V C 1.367 177.488 176.094 0.044 0.000 1.129 67 V CA 0.567 62.903 62.300 0.060 0.000 1.128 67 V CB -0.190 31.664 31.823 0.053 0.000 0.849 67 V HN 0.330 nan 8.190 nan 0.000 0.475 68 A N 1.684 124.539 122.820 0.058 0.000 5.391 68 A HA -0.344 3.976 4.320 -0.000 0.000 0.315 68 A C 1.255 178.935 177.584 0.159 0.000 1.874 68 A CA 2.252 54.353 52.037 0.107 0.000 0.714 68 A CB -1.597 17.362 19.000 -0.068 0.000 1.335 68 A HN 1.128 nan 8.150 nan 0.000 0.382 69 I N -2.824 117.771 120.570 0.043 0.000 3.904 69 I HA 0.502 4.672 4.170 -0.000 0.000 0.333 69 I C 0.437 176.474 176.117 -0.133 0.000 1.361 69 I CA 1.335 62.575 61.300 -0.100 0.000 1.116 69 I CB 0.117 37.928 38.000 -0.314 0.000 1.028 69 I HN 0.678 nan 8.210 nan 0.000 0.398 70 D N 2.709 123.093 120.400 -0.027 0.000 2.697 70 D HA -0.276 4.364 4.640 -0.000 0.000 0.235 70 D C 1.066 177.387 176.300 0.035 0.000 1.167 70 D CA 1.189 55.219 54.000 0.049 0.000 0.656 70 D CB -0.680 40.169 40.800 0.080 0.000 1.025 70 D HN 0.763 nan 8.370 nan 0.000 0.419 71 E N -0.837 119.377 120.200 0.022 0.000 2.204 71 E HA -0.201 4.148 4.350 -0.000 0.000 0.194 71 E C 1.593 178.307 176.600 0.191 0.000 0.989 71 E CA 0.598 57.044 56.400 0.078 0.000 0.824 71 E CB -0.085 29.722 29.700 0.179 0.000 0.756 71 E HN 0.681 nan 8.360 nan 0.000 0.477 72 Y N 0.462 120.712 120.300 -0.083 0.000 2.102 72 Y HA -0.302 4.248 4.550 -0.000 0.000 0.280 72 Y C 1.575 177.345 175.900 -0.218 0.000 1.178 72 Y CA 2.622 60.469 58.100 -0.421 0.000 1.146 72 Y CB -0.165 37.885 38.460 -0.685 0.000 0.968 72 Y HN 0.255 nan 8.280 nan 0.000 0.504 73 H N -1.829 117.327 119.070 0.143 0.000 2.595 73 H HA 0.276 4.832 4.556 -0.000 0.000 0.265 73 H C 1.299 176.616 175.328 -0.019 0.000 0.953 73 H CA 0.372 56.461 56.048 0.068 0.000 1.197 73 H CB 0.319 30.117 29.762 0.060 0.000 1.438 73 H HN 0.045 nan 8.280 nan 0.000 0.531 74 R N 0.902 121.447 120.500 0.074 0.000 2.468 74 R HA 0.035 4.375 4.340 -0.000 0.000 0.280 74 R C 0.736 176.969 176.300 -0.110 0.000 0.963 74 R CA -0.050 56.005 56.100 -0.075 0.000 1.083 74 R CB -0.218 30.008 30.300 -0.124 0.000 1.200 74 R HN 0.545 nan 8.270 nan 0.000 0.541 75 Y N 0.680 120.950 120.300 -0.049 0.000 2.256 75 Y HA -0.122 4.428 4.550 -0.000 0.000 0.288 75 Y C 1.624 177.485 175.900 -0.065 0.000 1.155 75 Y CA 0.966 59.037 58.100 -0.049 0.000 1.203 75 Y CB -0.346 38.095 38.460 -0.031 0.000 0.980 75 Y HN -0.182 nan 8.280 nan 0.000 0.530 76 K N 0.476 120.528 120.400 -0.580 0.000 2.057 76 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 76 K C 2.207 178.700 176.600 -0.178 0.000 1.050 76 K CA 1.553 57.624 56.287 -0.360 0.000 0.935 76 K CB -0.232 32.007 32.500 -0.435 0.000 0.715 76 K HN 0.557 nan 8.250 nan 0.000 0.439 77 E N 1.176 121.269 120.200 -0.178 0.000 2.072 77 E HA -0.217 4.132 4.350 -0.000 0.000 0.191 77 E C 1.164 177.723 176.600 -0.068 0.000 0.985 77 E CA 1.441 57.770 56.400 -0.118 0.000 0.801 77 E CB 0.119 29.735 29.700 -0.140 0.000 0.750 77 E HN 0.187 nan 8.360 nan 0.000 0.452 78 D N 0.733 121.088 120.400 -0.075 0.000 2.117 78 D HA -0.164 4.475 4.640 -0.000 0.000 0.197 78 D C 1.954 178.292 176.300 0.063 0.000 0.987 78 D CA 0.872 54.897 54.000 0.041 0.000 0.829 78 D CB -0.137 40.633 40.800 -0.049 0.000 0.961 78 D HN 0.283 nan 8.370 nan 0.000 0.460 79 I N 0.742 121.308 120.570 -0.006 0.000 2.394 79 I HA -0.068 4.102 4.170 -0.000 0.000 0.251 79 I C 2.501 178.606 176.117 -0.019 0.000 1.136 79 I CA 0.907 62.193 61.300 -0.023 0.000 1.425 79 I CB -1.593 36.416 38.000 0.014 0.000 1.079 79 I HN -0.025 nan 8.210 nan 0.000 0.425 80 G N 1.643 110.431 108.800 -0.020 0.000 2.446 80 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 80 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 80 G C 1.833 176.723 174.900 -0.016 0.000 1.168 80 G CA 0.623 45.710 45.100 -0.023 0.000 0.771 80 G HN 0.331 nan 8.290 nan 0.000 0.551 81 I N 0.493 121.066 120.570 0.005 0.000 2.179 81 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 81 I C 2.998 179.088 176.117 -0.045 0.000 1.088 81 I CA 1.286 62.586 61.300 0.000 0.000 1.357 81 I CB -0.212 37.833 38.000 0.075 0.000 1.051 81 I HN 0.187 nan 8.210 nan 0.000 0.409 82 M N 0.147 119.713 119.600 -0.056 0.000 2.080 82 M HA -0.277 4.203 4.480 -0.000 0.000 0.260 82 M C 2.424 178.683 176.300 -0.069 0.000 1.068 82 M CA 1.867 57.116 55.300 -0.084 0.000 1.109 82 M CB -0.559 31.981 32.600 -0.099 0.000 1.342 82 M HN 0.122 nan 8.290 nan 0.000 0.405 83 K N 0.512 120.884 120.400 -0.047 0.000 2.026 83 K HA -0.246 4.074 4.320 -0.000 0.000 0.208 83 K C 1.557 178.126 176.600 -0.050 0.000 1.048 83 K CA 2.215 58.478 56.287 -0.040 0.000 0.929 83 K CB -0.200 32.285 32.500 -0.024 0.000 0.713 83 K HN 0.249 nan 8.250 nan 0.000 0.439 84 D N 0.171 120.543 120.400 -0.046 0.000 2.144 84 D HA -0.145 4.494 4.640 -0.000 0.000 0.199 84 D C 1.738 177.998 176.300 -0.067 0.000 0.984 84 D CA 1.294 55.268 54.000 -0.044 0.000 0.834 84 D CB 0.091 40.874 40.800 -0.028 0.000 0.955 84 D HN 0.254 nan 8.370 nan 0.000 0.465 85 M N -0.375 119.169 119.600 -0.094 0.000 2.659 85 M HA 0.018 4.497 4.480 -0.000 0.000 0.243 85 M C -0.064 176.117 176.300 -0.198 0.000 1.111 85 M CA 0.314 55.528 55.300 -0.144 0.000 1.070 85 M CB 0.110 32.620 32.600 -0.151 0.000 1.525 85 M HN 0.025 nan 8.290 nan 0.000 0.517 86 N N 0.532 119.140 118.700 -0.154 0.000 2.776 86 N HA -0.137 4.603 4.740 -0.000 0.000 0.250 86 N C -0.632 174.773 175.510 -0.174 0.000 1.112 86 N CA 0.557 53.513 53.050 -0.157 0.000 0.733 86 N CB -2.023 36.356 38.487 -0.180 0.000 1.097 86 N HN 0.366 nan 8.380 nan 0.000 0.558 87 L N 0.599 121.728 121.223 -0.157 0.000 2.464 87 L HA 0.119 4.459 4.340 -0.000 0.000 0.264 87 L C 1.553 178.384 176.870 -0.066 0.000 1.199 87 L CA 0.019 54.782 54.840 -0.129 0.000 0.818 87 L CB 0.410 42.409 42.059 -0.101 0.000 1.102 87 L HN -0.053 nan 8.230 nan 0.000 0.473 88 D N 0.461 120.827 120.400 -0.056 0.000 2.338 88 D HA 0.264 4.904 4.640 -0.000 0.000 0.208 88 D C 0.204 176.491 176.300 -0.021 0.000 0.997 88 D CA 0.553 54.530 54.000 -0.039 0.000 0.880 88 D CB 0.843 41.609 40.800 -0.056 0.000 0.980 88 D HN 0.533 nan 8.370 nan 0.000 0.509 89 A N -0.297 122.499 122.820 -0.041 0.000 2.599 89 A HA 0.534 4.853 4.320 -0.000 0.000 0.290 89 A C -2.140 175.588 177.584 0.239 0.000 1.101 89 A CA -0.630 51.450 52.037 0.072 0.000 0.674 89 A CB 1.657 20.606 19.000 -0.085 0.000 1.277 89 A HN -0.011 nan 8.150 nan 0.000 0.419 90 Y N 0.678 121.118 120.300 0.234 0.000 2.386 90 Y HA 0.653 5.203 4.550 -0.000 0.000 0.334 90 Y C -0.368 175.714 175.900 0.304 0.000 1.002 90 Y CA -0.977 57.301 58.100 0.296 0.000 1.068 90 Y CB 1.510 40.139 38.460 0.282 0.000 1.203 90 Y HN 0.798 nan 8.280 nan 0.000 0.443 91 R N 7.277 127.818 120.500 0.068 0.000 2.265 91 R HA 0.574 4.914 4.340 -0.000 0.000 0.328 91 R C -1.704 174.309 176.300 -0.477 0.000 0.969 91 R CA -0.340 55.562 56.100 -0.331 0.000 0.832 91 R CB 0.379 30.358 30.300 -0.535 0.000 1.139 91 R HN 0.581 nan 8.270 nan 0.000 0.457 92 F N 0.694 120.298 119.950 -0.575 0.000 2.650 92 F HA 0.666 5.193 4.527 -0.000 0.000 0.320 92 F C -0.937 174.721 175.800 -0.237 0.000 1.091 92 F CA -1.126 56.560 58.000 -0.524 0.000 0.962 92 F CB 1.373 39.953 39.000 -0.700 0.000 1.363 92 F HN 0.373 nan 8.300 nan 0.000 0.482 93 S N 0.743 116.519 115.700 0.127 0.000 2.600 93 S HA 0.795 5.265 4.470 -0.000 0.000 0.300 93 S C -1.094 173.628 174.600 0.204 0.000 1.087 93 S CA -0.735 57.522 58.200 0.096 0.000 0.965 93 S CB 1.520 64.789 63.200 0.114 0.000 1.089 93 S HN 0.720 nan 8.310 nan 0.000 0.496 94 I N 2.306 122.914 120.570 0.064 0.000 2.359 94 I HA 0.321 4.491 4.170 -0.000 0.000 0.294 94 I C 0.405 176.641 176.117 0.199 0.000 0.987 94 I CA -0.443 60.761 61.300 -0.160 0.000 1.225 94 I CB 1.905 39.692 38.000 -0.354 0.000 1.366 94 I HN 0.751 nan 8.210 nan 0.000 0.466 95 S N 6.408 122.290 115.700 0.303 0.000 2.448 95 S HA 0.012 4.482 4.470 -0.000 0.000 0.279 95 S C 0.825 175.663 174.600 0.395 0.000 1.195 95 S CA -0.413 58.019 58.200 0.387 0.000 1.051 95 S CB 0.281 63.726 63.200 0.409 0.000 0.948 95 S HN 0.690 nan 8.310 nan 0.000 0.493 96 W N 7.478 128.815 121.300 0.063 0.000 2.315 96 W HA -0.046 4.614 4.660 -0.000 0.000 0.323 96 W C -1.284 175.180 176.519 -0.092 0.000 1.233 96 W CA 1.581 58.722 57.345 -0.340 0.000 1.267 96 W CB -1.804 27.348 29.460 -0.512 0.000 1.160 96 W HN 0.634 nan 8.180 nan 0.000 0.474 97 P HA -0.152 nan 4.420 nan 0.000 0.234 97 P C 1.539 178.937 177.300 0.164 0.000 1.167 97 P CA 1.595 64.754 63.100 0.097 0.000 0.763 97 P CB -0.381 31.328 31.700 0.015 0.000 0.835 98 R N 0.932 121.583 120.500 0.251 0.000 2.100 98 R HA -0.029 4.310 4.340 -0.000 0.000 0.220 98 R C 2.076 178.567 176.300 0.318 0.000 1.091 98 R CA 1.305 57.567 56.100 0.270 0.000 0.986 98 R CB -0.337 30.178 30.300 0.358 0.000 0.888 98 R HN 0.126 nan 8.270 nan 0.000 0.444 99 V N -1.751 118.396 119.914 0.388 0.000 2.725 99 V HA 0.233 4.353 4.120 -0.000 0.000 0.247 99 V C 0.867 177.136 176.094 0.293 0.000 1.058 99 V CA 0.662 63.191 62.300 0.382 0.000 1.080 99 V CB 0.067 32.176 31.823 0.475 0.000 0.713 99 V HN 0.048 nan 8.190 nan 0.000 0.465 100 L N 1.126 122.522 121.223 0.287 0.000 2.462 100 L HA 0.452 4.792 4.340 -0.000 0.000 0.255 100 L C -2.015 174.940 176.870 0.142 0.000 1.076 100 L CA -1.411 53.568 54.840 0.230 0.000 0.920 100 L CB 2.105 44.358 42.059 0.324 0.000 1.214 100 L HN 0.036 nan 8.230 nan 0.000 0.472 101 P HA -0.155 nan 4.420 nan 0.000 0.219 101 P C 0.790 178.089 177.300 -0.001 0.000 1.146 101 P CA 1.160 64.291 63.100 0.051 0.000 0.808 101 P CB 0.218 31.954 31.700 0.061 0.000 0.779 102 K N -1.826 118.574 120.400 -0.000 0.000 2.399 102 K HA 0.310 4.630 4.320 -0.000 0.000 0.204 102 K C 1.519 178.072 176.600 -0.078 0.000 1.023 102 K CA 0.534 56.799 56.287 -0.038 0.000 1.127 102 K CB 0.069 32.566 32.500 -0.006 0.000 0.856 102 K HN 0.153 nan 8.250 nan 0.000 0.514 103 G N 1.966 110.703 108.800 -0.105 0.000 4.148 103 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.221 103 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.221 103 G C 0.184 175.174 174.900 0.149 0.000 1.373 103 G CA 0.244 45.238 45.100 -0.178 0.000 0.940 103 G HN 0.352 nan 8.290 nan 0.000 0.610 104 K N 0.522 120.984 120.400 0.104 0.000 2.319 104 K HA 0.417 4.737 4.320 -0.000 0.000 0.265 104 K C 1.278 177.963 176.600 0.142 0.000 1.000 104 K CA -0.110 56.263 56.287 0.144 0.000 0.943 104 K CB 1.347 33.903 32.500 0.093 0.000 0.950 104 K HN 0.253 nan 8.250 nan 0.000 0.485 105 L N 2.418 123.720 121.223 0.131 0.000 2.217 105 L HA -0.129 4.210 4.340 -0.000 0.000 0.211 105 L C 1.817 178.732 176.870 0.075 0.000 1.107 105 L CA 1.703 56.604 54.840 0.103 0.000 0.783 105 L CB -0.279 41.827 42.059 0.078 0.000 0.919 105 L HN 0.736 nan 8.230 nan 0.000 0.442 106 S N -2.097 113.642 115.700 0.066 0.000 2.603 106 S HA 0.141 4.611 4.470 -0.000 0.000 0.220 106 S C 1.706 176.335 174.600 0.048 0.000 0.967 106 S CA 0.185 58.415 58.200 0.050 0.000 0.920 106 S CB -0.373 62.852 63.200 0.042 0.000 0.773 106 S HN 0.415 nan 8.310 nan 0.000 0.529 107 G N 0.637 109.470 108.800 0.055 0.000 2.744 107 G HA2 0.515 4.475 3.960 -0.000 0.000 0.211 107 G HA3 0.515 4.475 3.960 -0.000 0.000 0.211 107 G C 0.728 175.660 174.900 0.054 0.000 1.146 107 G CA 0.010 45.138 45.100 0.047 0.000 0.787 107 G HN 1.214 nan 8.290 nan 0.000 0.534 108 G N -1.481 107.358 108.800 0.065 0.000 2.617 108 G HA2 0.130 4.090 3.960 -0.000 0.000 0.686 108 G HA3 0.130 4.090 3.960 -0.000 0.000 0.686 108 G C -0.950 174.005 174.900 0.091 0.000 1.214 108 G CA -0.513 44.628 45.100 0.069 0.000 0.796 108 G HN 0.696 nan 8.290 nan 0.000 0.654 109 V N 1.633 121.602 119.914 0.091 0.000 2.394 109 V HA 0.487 4.607 4.120 -0.000 0.000 0.282 109 V C 0.534 176.697 176.094 0.115 0.000 1.031 109 V CA -0.801 61.566 62.300 0.111 0.000 0.881 109 V CB 1.635 33.512 31.823 0.091 0.000 0.982 109 V HN 0.857 nan 8.190 nan 0.000 0.451 110 N N 4.091 122.878 118.700 0.145 0.000 2.415 110 N HA 0.169 4.909 4.740 -0.000 0.000 0.246 110 N C 1.228 176.835 175.510 0.162 0.000 1.078 110 N CA -0.412 52.726 53.050 0.146 0.000 0.942 110 N CB 0.807 39.389 38.487 0.160 0.000 1.140 110 N HN 0.615 nan 8.380 nan 0.000 0.501 111 R N 2.422 123.000 120.500 0.131 0.000 2.075 111 R HA -0.001 4.339 4.340 -0.000 0.000 0.232 111 R C 1.106 177.497 176.300 0.151 0.000 1.126 111 R CA 0.731 56.908 56.100 0.128 0.000 0.963 111 R CB -0.282 30.074 30.300 0.094 0.000 0.858 111 R HN 0.344 nan 8.270 nan 0.000 0.435 112 E N 0.806 121.096 120.200 0.149 0.000 2.160 112 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 112 E C 2.121 178.844 176.600 0.205 0.000 0.991 112 E CA 1.631 58.126 56.400 0.159 0.000 0.810 112 E CB -0.605 29.182 29.700 0.145 0.000 0.742 112 E HN 0.570 nan 8.360 nan 0.000 0.466 113 G N 0.910 109.848 108.800 0.229 0.000 2.404 113 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.215 113 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.215 113 G C 1.600 176.738 174.900 0.398 0.000 1.174 113 G CA 0.530 45.811 45.100 0.303 0.000 0.780 113 G HN 0.182 nan 8.290 nan 0.000 0.537 114 I N 1.602 122.410 120.570 0.398 0.000 2.208 114 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 114 I C 2.441 178.804 176.117 0.409 0.000 1.097 114 I CA 1.401 62.994 61.300 0.488 0.000 1.363 114 I CB -1.114 37.050 38.000 0.274 0.000 1.051 114 I HN 0.172 nan 8.210 nan 0.000 0.413 115 N N 0.676 119.523 118.700 0.244 0.000 2.104 115 N HA -0.275 4.465 4.740 -0.000 0.000 0.190 115 N C 1.974 177.518 175.510 0.056 0.000 1.024 115 N CA 1.382 54.522 53.050 0.150 0.000 0.853 115 N CB -0.413 38.145 38.487 0.118 0.000 1.008 115 N HN 0.341 nan 8.380 nan 0.000 0.424 116 Y N 0.112 120.339 120.300 -0.122 0.000 2.097 116 Y HA -0.263 4.287 4.550 -0.000 0.000 0.282 116 Y C 1.562 177.170 175.900 -0.487 0.000 1.152 116 Y CA 1.822 59.671 58.100 -0.418 0.000 1.136 116 Y CB -0.898 37.247 38.460 -0.525 0.000 0.975 116 Y HN 0.152 nan 8.280 nan 0.000 0.498 117 Y N 0.414 120.561 120.300 -0.256 0.000 2.224 117 Y HA -0.219 4.331 4.550 -0.000 0.000 0.289 117 Y C 2.460 178.160 175.900 -0.333 0.000 1.146 117 Y CA 1.467 59.285 58.100 -0.470 0.000 1.182 117 Y CB -0.943 37.188 38.460 -0.549 0.000 0.983 117 Y HN 0.207 nan 8.280 nan 0.000 0.524 118 N N 0.257 119.003 118.700 0.076 0.000 2.084 118 N HA -0.170 4.569 4.740 -0.000 0.000 0.190 118 N C 1.452 176.922 175.510 -0.067 0.000 1.030 118 N CA 1.266 54.385 53.050 0.115 0.000 0.849 118 N CB -0.514 38.091 38.487 0.196 0.000 1.012 118 N HN 0.377 nan 8.380 nan 0.000 0.423 119 N N 1.130 119.710 118.700 -0.200 0.000 2.084 119 N HA -0.125 4.615 4.740 -0.000 0.000 0.190 119 N C 1.841 177.111 175.510 -0.399 0.000 1.030 119 N CA 0.479 53.375 53.050 -0.256 0.000 0.849 119 N CB -0.605 37.705 38.487 -0.296 0.000 1.012 119 N HN 0.175 nan 8.380 nan 0.000 0.423 120 L N 1.290 122.069 121.223 -0.741 0.000 2.017 120 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 120 L C 2.029 178.718 176.870 -0.301 0.000 1.073 120 L CA 1.270 55.690 54.840 -0.700 0.000 0.745 120 L CB -0.531 40.862 42.059 -1.109 0.000 0.894 120 L HN 0.099 nan 8.230 nan 0.000 0.432 121 I N -0.111 120.344 120.570 -0.190 0.000 2.163 121 I HA -0.327 3.843 4.170 -0.000 0.000 0.243 121 I C 2.024 178.159 176.117 0.030 0.000 1.085 121 I CA 1.383 62.687 61.300 0.008 0.000 1.347 121 I CB -0.584 37.449 38.000 0.055 0.000 1.044 121 I HN 0.382 nan 8.210 nan 0.000 0.408 122 N N 0.434 119.140 118.700 0.011 0.000 2.188 122 N HA -0.201 4.539 4.740 -0.000 0.000 0.184 122 N C 1.797 177.334 175.510 0.046 0.000 1.018 122 N CA 1.071 54.143 53.050 0.037 0.000 0.858 122 N CB -0.332 38.178 38.487 0.038 0.000 0.989 122 N HN 0.331 nan 8.380 nan 0.000 0.426 123 E N 0.865 121.092 120.200 0.046 0.000 2.047 123 E HA -0.046 4.304 4.350 -0.000 0.000 0.191 123 E C 1.880 178.526 176.600 0.076 0.000 0.987 123 E CA 0.571 57.020 56.400 0.082 0.000 0.799 123 E CB -0.223 29.577 29.700 0.166 0.000 0.752 123 E HN 0.014 nan 8.360 nan 0.000 0.449 124 V N 0.691 120.658 119.914 0.087 0.000 2.231 124 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 124 V C 2.484 178.639 176.094 0.102 0.000 1.054 124 V CA 2.035 64.413 62.300 0.129 0.000 1.015 124 V CB -0.585 31.374 31.823 0.227 0.000 0.638 124 V HN 0.303 nan 8.190 nan 0.000 0.444 125 L N 0.020 121.296 121.223 0.089 0.000 2.131 125 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 125 L C 2.597 179.499 176.870 0.054 0.000 1.092 125 L CA 1.439 56.322 54.840 0.071 0.000 0.759 125 L CB -0.707 41.391 42.059 0.065 0.000 0.903 125 L HN 0.360 nan 8.230 nan 0.000 0.435 126 A N -0.613 122.237 122.820 0.050 0.000 2.067 126 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 126 A C 1.639 179.241 177.584 0.031 0.000 1.158 126 A CA 1.164 53.224 52.037 0.038 0.000 0.661 126 A CB -0.345 18.677 19.000 0.037 0.000 0.801 126 A HN 0.442 nan 8.150 nan 0.000 0.452 127 N N -0.237 118.484 118.700 0.034 0.000 2.320 127 N HA 0.182 4.922 4.740 -0.000 0.000 0.237 127 N C 0.749 176.274 175.510 0.024 0.000 1.129 127 N CA 0.690 53.755 53.050 0.024 0.000 0.854 127 N CB 0.387 38.887 38.487 0.022 0.000 1.083 127 N HN 0.515 nan 8.380 nan 0.000 0.504 128 G N 1.555 110.373 108.800 0.030 0.000 2.305 128 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.287 128 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.287 128 G C 0.007 174.930 174.900 0.037 0.000 1.036 128 G CA 0.520 45.638 45.100 0.029 0.000 0.887 128 G HN 0.277 nan 8.290 nan 0.000 0.505 129 M N -1.130 118.505 119.600 0.060 0.000 2.619 129 M HA 0.463 4.942 4.480 -0.000 0.000 0.297 129 M C -0.039 176.329 176.300 0.114 0.000 1.229 129 M CA -0.680 54.671 55.300 0.084 0.000 0.860 129 M CB 2.215 34.877 32.600 0.104 0.000 1.741 129 M HN 0.119 nan 8.290 nan 0.000 0.462 130 Q N 2.773 122.657 119.800 0.141 0.000 2.293 130 Q HA 0.481 4.821 4.340 -0.000 0.000 0.261 130 Q C -2.401 173.739 176.000 0.232 0.000 0.960 130 Q CA -1.853 54.045 55.803 0.159 0.000 0.882 130 Q CB 2.116 30.950 28.738 0.159 0.000 1.275 130 Q HN 0.234 nan 8.270 nan 0.000 0.445 131 P HA 0.103 nan 4.420 nan 0.000 0.286 131 P C -1.457 175.764 177.300 -0.131 0.000 1.269 131 P CA -0.206 62.944 63.100 0.083 0.000 0.787 131 P CB 0.488 32.237 31.700 0.081 0.000 0.920 132 Y N 1.952 121.992 120.300 -0.432 0.000 2.464 132 Y HA 0.276 4.826 4.550 -0.000 0.000 0.326 132 Y C 0.144 175.624 175.900 -0.701 0.000 0.969 132 Y CA -0.781 57.013 58.100 -0.510 0.000 1.270 132 Y CB 1.332 39.460 38.460 -0.552 0.000 1.103 132 Y HN 0.066 nan 8.280 nan 0.000 0.491 133 V N 3.216 122.753 119.914 -0.628 0.000 2.370 133 V HA 0.375 4.495 4.120 -0.000 0.000 0.283 133 V C 0.063 176.028 176.094 -0.214 0.000 1.023 133 V CA -0.819 61.089 62.300 -0.653 0.000 0.857 133 V CB 1.491 32.829 31.823 -0.809 0.000 0.985 133 V HN 0.677 nan 8.190 nan 0.000 0.443 134 T N 6.345 120.795 114.554 -0.172 0.000 2.743 134 T HA 0.431 4.781 4.350 -0.000 0.000 0.293 134 T C 1.227 175.998 174.700 0.118 0.000 0.945 134 T CA -0.315 61.796 62.100 0.018 0.000 1.030 134 T CB 1.240 70.127 68.868 0.032 0.000 0.912 134 T HN 0.417 nan 8.240 nan 0.000 0.483 135 L N 1.818 123.170 121.223 0.216 0.000 2.068 135 L HA 0.264 4.604 4.340 -0.000 0.000 0.204 135 L C 0.584 177.811 176.870 0.595 0.000 1.076 135 L CA 0.935 55.946 54.840 0.285 0.000 0.753 135 L CB 0.010 42.128 42.059 0.099 0.000 0.910 135 L HN 0.522 nan 8.230 nan 0.000 0.439 136 F N -0.226 119.962 119.950 0.398 0.000 2.460 136 F HA 0.361 4.887 4.527 -0.000 0.000 0.341 136 F C -0.124 175.823 175.800 0.244 0.000 1.130 136 F CA -0.766 57.478 58.000 0.407 0.000 0.962 136 F CB 0.620 39.860 39.000 0.400 0.000 1.171 136 F HN -0.072 nan 8.300 nan 0.000 0.436 137 H N 7.182 126.026 119.070 -0.377 0.000 2.471 137 H HA 0.176 4.732 4.556 -0.000 0.000 0.234 137 H C -0.536 174.391 175.328 -0.668 0.000 1.388 137 H CA -0.280 55.425 56.048 -0.571 0.000 1.198 137 H CB -0.090 29.472 29.762 -0.333 0.000 1.714 137 H HN 0.882 nan 8.280 nan 0.000 0.536 138 W N 0.418 121.065 121.300 -1.088 0.000 2.323 138 W HA -0.233 4.427 4.660 -0.000 0.000 0.261 138 W C -0.204 176.254 176.519 -0.103 0.000 1.029 138 W CA 0.872 57.760 57.345 -0.763 0.000 0.499 138 W CB -2.511 26.595 29.460 -0.590 0.000 2.045 138 W HN 0.532 nan 8.180 nan 0.000 1.374 139 D N 0.455 120.986 120.400 0.218 0.000 2.631 139 D HA 0.389 5.029 4.640 -0.000 0.000 0.227 139 D C 0.273 176.850 176.300 0.462 0.000 1.146 139 D CA -0.326 53.900 54.000 0.377 0.000 1.009 139 D CB -0.190 40.799 40.800 0.316 0.000 1.057 139 D HN -0.119 nan 8.370 nan 0.000 0.509 140 V N 1.791 121.992 119.914 0.480 0.000 2.521 140 V HA 0.148 4.268 4.120 -0.000 0.000 0.286 140 V C -1.874 174.179 176.094 -0.069 0.000 1.034 140 V CA -1.332 61.102 62.300 0.223 0.000 1.045 140 V CB 0.439 32.394 31.823 0.219 0.000 0.974 140 V HN 0.283 nan 8.190 nan 0.000 0.480 141 P HA -0.003 nan 4.420 nan 0.000 0.264 141 P C 0.477 177.616 177.300 -0.268 0.000 1.183 141 P CA 0.196 63.084 63.100 -0.353 0.000 0.763 141 P CB 0.539 31.864 31.700 -0.625 0.000 0.807 142 Q N 4.515 124.217 119.800 -0.164 0.000 2.170 142 Q HA -0.190 4.150 4.340 -0.000 0.000 0.203 142 Q C 1.967 177.861 176.000 -0.177 0.000 0.976 142 Q CA 2.236 57.958 55.803 -0.134 0.000 0.858 142 Q CB -1.043 27.653 28.738 -0.070 0.000 0.907 142 Q HN 0.520 nan 8.270 nan 0.000 0.433 143 A N 0.138 122.842 122.820 -0.193 0.000 1.883 143 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 143 A C 2.021 179.420 177.584 -0.309 0.000 1.186 143 A CA 1.707 53.625 52.037 -0.199 0.000 0.624 143 A CB -0.826 18.077 19.000 -0.161 0.000 0.822 143 A HN 0.462 nan 8.150 nan 0.000 0.444 144 L N -1.266 119.692 121.223 -0.441 0.000 2.217 144 L HA -0.100 4.240 4.340 -0.000 0.000 0.211 144 L C 2.526 178.916 176.870 -0.799 0.000 1.107 144 L CA 1.343 55.726 54.840 -0.762 0.000 0.783 144 L CB -0.440 41.194 42.059 -0.708 0.000 0.919 144 L HN 0.397 nan 8.230 nan 0.000 0.442 145 E N 0.734 120.668 120.200 -0.443 0.000 2.072 145 E HA -0.195 4.154 4.350 -0.000 0.000 0.190 145 E C 1.707 178.167 176.600 -0.234 0.000 0.982 145 E CA 1.326 57.558 56.400 -0.281 0.000 0.803 145 E CB 0.028 29.632 29.700 -0.159 0.000 0.755 145 E HN 0.297 nan 8.360 nan 0.000 0.453 146 D N 0.170 120.442 120.400 -0.213 0.000 2.117 146 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 146 D C 1.781 177.988 176.300 -0.156 0.000 0.987 146 D CA 1.071 54.984 54.000 -0.144 0.000 0.829 146 D CB -0.180 40.552 40.800 -0.113 0.000 0.961 146 D HN 0.341 nan 8.370 nan 0.000 0.460 147 E N -0.639 119.410 120.200 -0.252 0.000 2.028 147 E HA -0.153 4.196 4.350 -0.000 0.000 0.191 147 E C 0.551 177.092 176.600 -0.098 0.000 0.988 147 E CA 0.851 57.137 56.400 -0.191 0.000 0.799 147 E CB 0.162 29.732 29.700 -0.217 0.000 0.755 147 E HN 0.447 nan 8.360 nan 0.000 0.447 148 Y N -2.529 117.724 120.300 -0.079 0.000 2.777 148 Y HA 0.517 5.067 4.550 -0.000 0.000 0.248 148 Y C -0.256 175.596 175.900 -0.081 0.000 1.127 148 Y CA -0.759 57.292 58.100 -0.081 0.000 1.149 148 Y CB -0.293 38.105 38.460 -0.104 0.000 1.230 148 Y HN -0.060 nan 8.280 nan 0.000 0.586 149 R N 0.792 121.259 120.500 -0.055 0.000 3.656 149 R HA -0.169 4.171 4.340 -0.000 0.000 0.297 149 R C 1.458 177.770 176.300 0.020 0.000 1.166 149 R CA 0.871 56.970 56.100 -0.003 0.000 0.799 149 R CB -1.589 28.744 30.300 0.054 0.000 1.285 149 R HN 1.076 nan 8.270 nan 0.000 0.477 150 G N 0.226 108.961 108.800 -0.109 0.000 2.692 150 G HA2 -0.440 3.520 3.960 -0.000 0.000 0.339 150 G HA3 -0.440 3.520 3.960 -0.000 0.000 0.339 150 G C 0.453 175.335 174.900 -0.029 0.000 1.226 150 G CA 0.867 45.900 45.100 -0.112 0.000 0.979 150 G HN 0.264 nan 8.290 nan 0.000 0.549 151 F N 1.495 121.489 119.950 0.074 0.000 2.795 151 F HA 0.405 4.932 4.527 -0.000 0.000 0.303 151 F C 2.186 178.022 175.800 0.060 0.000 1.186 151 F CA 0.442 58.475 58.000 0.055 0.000 1.415 151 F CB 0.178 39.194 39.000 0.027 0.000 1.106 151 F HN 0.136 nan 8.300 nan 0.000 0.558 152 L N -1.076 120.232 121.223 0.141 0.000 2.640 152 L HA 0.333 4.673 4.340 -0.000 0.000 0.230 152 L C 1.071 178.002 176.870 0.103 0.000 1.123 152 L CA -0.088 54.815 54.840 0.105 0.000 0.900 152 L CB -0.089 41.952 42.059 -0.031 0.000 1.146 152 L HN 0.047 nan 8.230 nan 0.000 0.484 153 G N -0.646 108.120 108.800 -0.057 0.000 2.513 153 G HA2 0.305 4.265 3.960 -0.000 0.000 0.317 153 G HA3 0.305 4.265 3.960 -0.000 0.000 0.317 153 G C 0.308 174.745 174.900 -0.771 0.000 1.277 153 G CA -0.504 44.434 45.100 -0.270 0.000 0.955 153 G HN -0.040 nan 8.290 nan 0.000 0.484 154 R N 1.195 121.127 120.500 -0.948 0.000 2.237 154 R HA -0.090 4.250 4.340 -0.000 0.000 0.219 154 R C 1.634 177.589 176.300 -0.574 0.000 1.080 154 R CA 1.454 56.994 56.100 -0.933 0.000 0.995 154 R CB -0.087 29.925 30.300 -0.478 0.000 0.875 154 R HN 0.625 nan 8.270 nan 0.000 0.462 155 N N 0.616 118.912 118.700 -0.674 0.000 2.272 155 N HA -0.183 4.557 4.740 -0.000 0.000 0.185 155 N C 1.431 176.557 175.510 -0.641 0.000 1.014 155 N CA 0.947 53.526 53.050 -0.786 0.000 0.870 155 N CB -0.190 37.440 38.487 -1.428 0.000 0.975 155 N HN 0.182 nan 8.380 nan 0.000 0.433 156 I N 0.296 120.544 120.570 -0.535 0.000 2.286 156 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 156 I C 1.598 177.680 176.117 -0.057 0.000 1.115 156 I CA 0.814 61.974 61.300 -0.234 0.000 1.392 156 I CB -0.088 37.604 38.000 -0.513 0.000 1.065 156 I HN -0.062 nan 8.210 nan 0.000 0.418 157 V N 0.510 120.388 119.914 -0.060 0.000 2.261 157 V HA -0.306 3.813 4.120 -0.000 0.000 0.246 157 V C 2.187 178.338 176.094 0.095 0.000 1.047 157 V CA 2.224 64.569 62.300 0.074 0.000 1.015 157 V CB -0.941 30.919 31.823 0.063 0.000 0.642 157 V HN 0.372 nan 8.190 nan 0.000 0.446 158 D N -0.058 120.355 120.400 0.022 0.000 2.117 158 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 158 D C 1.948 178.293 176.300 0.076 0.000 0.987 158 D CA 1.327 55.345 54.000 0.030 0.000 0.829 158 D CB -0.365 40.429 40.800 -0.010 0.000 0.961 158 D HN 0.421 nan 8.370 nan 0.000 0.460 159 D N -0.341 120.137 120.400 0.130 0.000 2.144 159 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 159 D C 1.810 178.296 176.300 0.309 0.000 0.978 159 D CA 0.326 54.482 54.000 0.261 0.000 0.833 159 D CB -0.339 40.674 40.800 0.356 0.000 0.961 159 D HN 0.178 nan 8.370 nan 0.000 0.470 160 F N 1.725 121.737 119.950 0.103 0.000 2.186 160 F HA -0.044 4.483 4.527 -0.000 0.000 0.299 160 F C 2.338 178.050 175.800 -0.147 0.000 1.090 160 F CA 0.986 58.908 58.000 -0.130 0.000 1.307 160 F CB 0.012 38.967 39.000 -0.076 0.000 1.019 160 F HN -0.234 nan 8.300 nan 0.000 0.489 161 R N 0.298 120.754 120.500 -0.074 0.000 2.081 161 R HA -0.168 4.171 4.340 -0.000 0.000 0.235 161 R C 1.769 177.923 176.300 -0.244 0.000 1.131 161 R CA 2.091 58.087 56.100 -0.173 0.000 0.960 161 R CB -0.527 29.754 30.300 -0.031 0.000 0.856 161 R HN 0.215 nan 8.270 nan 0.000 0.436 162 D N -0.452 119.868 120.400 -0.133 0.000 2.117 162 D HA -0.196 4.444 4.640 -0.000 0.000 0.197 162 D C 1.570 177.754 176.300 -0.193 0.000 0.987 162 D CA 1.132 55.069 54.000 -0.105 0.000 0.829 162 D CB -0.483 40.324 40.800 0.011 0.000 0.961 162 D HN 0.298 nan 8.370 nan 0.000 0.460 163 Y N 1.683 121.736 120.300 -0.413 0.000 2.145 163 Y HA -0.158 4.392 4.550 -0.000 0.000 0.286 163 Y C 2.198 177.643 175.900 -0.758 0.000 1.145 163 Y CA 1.648 59.399 58.100 -0.581 0.000 1.148 163 Y CB -0.699 37.151 38.460 -1.016 0.000 0.981 163 Y HN -0.056 nan 8.280 nan 0.000 0.507 164 A N 0.343 122.401 122.820 -1.269 0.000 1.883 164 A HA -0.282 4.037 4.320 -0.000 0.000 0.217 164 A C 2.254 178.802 177.584 -1.726 0.000 1.186 164 A CA 2.065 53.099 52.037 -1.671 0.000 0.624 164 A CB -1.113 17.012 19.000 -1.459 0.000 0.822 164 A HN 0.660 nan 8.150 nan 0.000 0.444 165 E N -0.607 119.008 120.200 -0.974 0.000 2.085 165 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 165 E C 1.855 178.146 176.600 -0.515 0.000 0.994 165 E CA 1.429 57.483 56.400 -0.575 0.000 0.801 165 E CB -0.272 29.311 29.700 -0.196 0.000 0.743 165 E HN 0.472 nan 8.360 nan 0.000 0.453 166 L N 0.381 121.336 121.223 -0.446 0.000 2.012 166 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 166 L C 2.265 178.888 176.870 -0.412 0.000 1.073 166 L CA 1.905 56.556 54.840 -0.316 0.000 0.748 166 L CB -0.675 41.285 42.059 -0.165 0.000 0.891 166 L HN 0.349 nan 8.230 nan 0.000 0.431 167 C N -0.585 118.385 119.300 -0.551 0.000 2.429 167 C HA -0.133 4.327 4.460 -0.000 0.000 0.277 167 C C 2.504 177.322 174.990 -0.288 0.000 1.262 167 C CA 0.437 59.261 59.018 -0.324 0.000 1.733 167 C CB -1.410 26.029 27.740 -0.500 0.000 2.010 167 C HN 0.583 nan 8.230 nan 0.000 0.483 168 F N 1.710 121.278 119.950 -0.637 0.000 2.171 168 F HA -0.077 4.449 4.527 -0.000 0.000 0.300 168 F C 2.306 177.841 175.800 -0.440 0.000 1.090 168 F CA 1.227 58.822 58.000 -0.675 0.000 1.293 168 F CB -1.076 37.245 39.000 -1.132 0.000 1.013 168 F HN 0.227 nan 8.300 nan 0.000 0.486 169 K N -0.186 120.064 120.400 -0.249 0.000 2.103 169 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 169 K C 2.017 178.547 176.600 -0.118 0.000 1.052 169 K CA 1.053 57.286 56.287 -0.091 0.000 0.945 169 K CB -0.053 32.415 32.500 -0.053 0.000 0.722 169 K HN 0.059 nan 8.250 nan 0.000 0.443 170 E N -0.277 119.735 120.200 -0.312 0.000 2.076 170 E HA -0.054 4.296 4.350 -0.000 0.000 0.190 170 E C 1.448 177.815 176.600 -0.389 0.000 0.979 170 E CA 1.133 57.228 56.400 -0.508 0.000 0.807 170 E CB 0.148 29.203 29.700 -1.075 0.000 0.761 170 E HN 0.288 nan 8.360 nan 0.000 0.454 171 F N -0.704 119.358 119.950 0.186 0.000 2.724 171 F HA 0.331 4.858 4.527 -0.000 0.000 0.306 171 F C 2.125 178.108 175.800 0.306 0.000 1.100 171 F CA 0.110 58.255 58.000 0.241 0.000 1.255 171 F CB -0.577 38.599 39.000 0.292 0.000 1.072 171 F HN -0.030 nan 8.300 nan 0.000 0.589 172 G N 1.117 110.233 108.800 0.527 0.000 2.462 172 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 172 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 172 G C 1.447 176.533 174.900 0.310 0.000 1.121 172 G CA 1.383 46.799 45.100 0.527 0.000 0.758 172 G HN 0.461 nan 8.290 nan 0.000 0.559 173 D N 0.267 120.797 120.400 0.216 0.000 2.224 173 D HA -0.058 4.582 4.640 -0.000 0.000 0.205 173 D C 2.270 178.641 176.300 0.117 0.000 0.965 173 D CA 0.616 54.702 54.000 0.143 0.000 0.852 173 D CB -0.227 40.642 40.800 0.115 0.000 0.947 173 D HN 0.353 nan 8.370 nan 0.000 0.494 174 R N -0.048 120.530 120.500 0.129 0.000 2.191 174 R HA 0.222 4.562 4.340 -0.000 0.000 0.196 174 R C 0.351 176.656 176.300 0.008 0.000 0.991 174 R CA -0.026 56.120 56.100 0.078 0.000 1.075 174 R CB 0.887 31.245 30.300 0.096 0.000 1.040 174 R HN -0.040 nan 8.270 nan 0.000 0.526 175 V N 2.985 122.872 119.914 -0.046 0.000 2.408 175 V HA 0.099 4.219 4.120 -0.000 0.000 0.267 175 V C 0.526 176.420 176.094 -0.334 0.000 1.047 175 V CA 0.196 62.297 62.300 -0.331 0.000 0.937 175 V CB 1.410 32.780 31.823 -0.756 0.000 0.999 175 V HN 0.160 nan 8.190 nan 0.000 0.472 176 K N 2.732 122.917 120.400 -0.358 0.000 2.374 176 K HA 0.241 4.561 4.320 -0.000 0.000 0.202 176 K C -0.231 175.948 176.600 -0.702 0.000 1.040 176 K CA 0.067 56.136 56.287 -0.365 0.000 1.085 176 K CB 0.408 32.739 32.500 -0.281 0.000 0.873 176 K HN 0.765 nan 8.250 nan 0.000 0.539 177 H N -0.816 117.854 119.070 -0.665 0.000 2.970 177 H HA 0.299 4.855 4.556 -0.000 0.000 0.315 177 H C -1.283 173.650 175.328 -0.659 0.000 0.992 177 H CA -0.537 55.088 56.048 -0.705 0.000 1.363 177 H CB 0.443 29.385 29.762 -1.368 0.000 1.532 177 H HN -0.047 nan 8.280 nan 0.000 0.514 178 W N 3.647 124.852 121.300 -0.159 0.000 2.606 178 W HA 0.638 5.298 4.660 -0.000 0.000 0.332 178 W C -0.584 175.928 176.519 -0.012 0.000 1.052 178 W CA -0.721 56.540 57.345 -0.140 0.000 1.223 178 W CB 1.387 30.706 29.460 -0.234 0.000 1.383 178 W HN 0.336 nan 8.180 nan 0.000 0.524 179 I N 2.559 123.277 120.570 0.247 0.000 2.439 179 I HA 0.149 4.318 4.170 -0.000 0.000 0.285 179 I C 1.255 177.479 176.117 0.178 0.000 1.021 179 I CA -0.403 60.992 61.300 0.157 0.000 1.091 179 I CB 1.989 40.053 38.000 0.107 0.000 1.242 179 I HN 0.646 nan 8.210 nan 0.000 0.439 180 T N 4.816 119.483 114.554 0.190 0.000 2.639 180 T HA 0.093 4.443 4.350 -0.000 0.000 0.261 180 T C 0.653 175.541 174.700 0.312 0.000 1.053 180 T CA 0.857 63.137 62.100 0.300 0.000 1.158 180 T CB -0.057 69.046 68.868 0.392 0.000 0.863 180 T HN 0.330 nan 8.240 nan 0.000 0.413 181 L N 1.167 122.494 121.223 0.173 0.000 2.333 181 L HA 0.612 4.952 4.340 -0.000 0.000 0.269 181 L C -0.721 176.134 176.870 -0.026 0.000 1.010 181 L CA -1.180 53.728 54.840 0.113 0.000 0.818 181 L CB 1.758 43.823 42.059 0.009 0.000 1.306 181 L HN 0.208 nan 8.230 nan 0.000 0.430 182 N N 0.817 119.460 118.700 -0.094 0.000 2.443 182 N HA 0.179 4.919 4.740 -0.000 0.000 0.269 182 N C -1.036 174.407 175.510 -0.111 0.000 0.985 182 N CA -0.340 52.542 53.050 -0.281 0.000 0.921 182 N CB 0.789 38.786 38.487 -0.817 0.000 1.195 182 N HN 0.574 nan 8.380 nan 0.000 0.492 183 E N 2.343 122.478 120.200 -0.108 0.000 2.272 183 E HA -0.168 4.182 4.350 -0.000 0.000 0.160 183 E C -1.741 174.792 176.600 -0.111 0.000 1.627 183 E CA 0.008 56.383 56.400 -0.041 0.000 0.641 183 E CB -0.403 29.402 29.700 0.175 0.000 1.060 183 E HN 0.664 nan 8.360 nan 0.000 0.324 184 P HA -0.198 nan 4.420 nan 0.000 0.222 184 P C 1.238 178.257 177.300 -0.468 0.000 1.147 184 P CA 1.107 63.868 63.100 -0.565 0.000 0.790 184 P CB -0.049 31.107 31.700 -0.907 0.000 0.780 185 W N 1.755 122.738 121.300 -0.528 0.000 2.355 185 W HA -0.042 4.618 4.660 -0.000 0.000 0.309 185 W C 2.408 178.859 176.519 -0.114 0.000 1.206 185 W CA 2.449 59.741 57.345 -0.088 0.000 1.284 185 W CB -1.114 28.407 29.460 0.101 0.000 1.145 185 W HN -0.074 nan 8.180 nan 0.000 0.502 186 G N 0.422 109.237 108.800 0.024 0.000 2.446 186 G HA2 -0.304 3.655 3.960 -0.000 0.000 0.217 186 G HA3 -0.304 3.655 3.960 -0.000 0.000 0.217 186 G C 1.376 175.930 174.900 -0.578 0.000 1.168 186 G CA 1.987 46.922 45.100 -0.275 0.000 0.771 186 G HN 0.256 nan 8.290 nan 0.000 0.551 187 V N 1.125 120.691 119.914 -0.579 0.000 2.261 187 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 187 V C 3.147 179.079 176.094 -0.269 0.000 1.047 187 V CA 2.338 64.355 62.300 -0.473 0.000 1.015 187 V CB -0.835 30.775 31.823 -0.355 0.000 0.642 187 V HN 0.384 nan 8.190 nan 0.000 0.446 188 S N -0.290 115.273 115.700 -0.229 0.000 2.353 188 S HA -0.225 4.245 4.470 -0.000 0.000 0.222 188 S C 1.982 176.462 174.600 -0.200 0.000 1.035 188 S CA 1.888 60.023 58.200 -0.109 0.000 1.025 188 S CB -0.364 62.744 63.200 -0.153 0.000 0.902 188 S HN 0.375 nan 8.310 nan 0.000 0.440 189 M N 1.795 121.119 119.600 -0.460 0.000 2.098 189 M HA 0.047 4.526 4.480 -0.000 0.000 0.262 189 M C 1.662 177.669 176.300 -0.488 0.000 1.072 189 M CA 1.279 56.235 55.300 -0.573 0.000 1.133 189 M CB -1.773 30.249 32.600 -0.963 0.000 1.344 189 M HN 0.231 nan 8.290 nan 0.000 0.414 190 N N 0.623 118.941 118.700 -0.637 0.000 2.300 190 N HA 0.019 4.759 4.740 -0.000 0.000 0.179 190 N C 1.706 176.846 175.510 -0.615 0.000 1.016 190 N CA 1.467 54.063 53.050 -0.757 0.000 0.876 190 N CB -0.271 37.221 38.487 -1.657 0.000 0.979 190 N HN 0.338 nan 8.380 nan 0.000 0.432 191 A N -0.476 122.005 122.820 -0.566 0.000 1.975 191 A HA 0.043 4.363 4.320 -0.000 0.000 0.215 191 A C 1.025 178.053 177.584 -0.927 0.000 1.170 191 A CA 0.751 52.365 52.037 -0.705 0.000 0.656 191 A CB -0.216 18.325 19.000 -0.765 0.000 0.821 191 A HN 0.275 nan 8.150 nan 0.000 0.449 192 Y N -2.369 117.764 120.300 -0.278 0.000 2.426 192 Y HA 0.497 5.047 4.550 -0.000 0.000 0.249 192 Y C 2.147 177.864 175.900 -0.305 0.000 1.103 192 Y CA 0.100 58.052 58.100 -0.246 0.000 1.256 192 Y CB 0.327 38.675 38.460 -0.188 0.000 1.208 192 Y HN 0.268 nan 8.280 nan 0.000 0.519 193 A N -1.784 120.845 122.820 -0.318 0.000 2.070 193 A HA 0.178 4.498 4.320 -0.000 0.000 0.202 193 A C 0.932 178.124 177.584 -0.652 0.000 1.277 193 A CA 0.677 52.406 52.037 -0.514 0.000 0.872 193 A CB -0.177 18.425 19.000 -0.664 0.000 0.933 193 A HN 0.349 nan 8.150 nan 0.000 0.475 194 Y N -1.279 118.835 120.300 -0.310 0.000 2.535 194 Y HA 0.385 4.935 4.550 -0.000 0.000 0.264 194 Y C 1.850 177.596 175.900 -0.256 0.000 1.087 194 Y CA 0.028 57.962 58.100 -0.277 0.000 1.285 194 Y CB 0.431 38.721 38.460 -0.282 0.000 1.200 194 Y HN 0.420 nan 8.280 nan 0.000 0.514 195 G N 0.259 108.954 108.800 -0.174 0.000 2.148 195 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.254 195 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.254 195 G C 1.102 175.937 174.900 -0.108 0.000 0.981 195 G CA 0.915 45.901 45.100 -0.189 0.000 0.670 195 G HN 0.441 nan 8.290 nan 0.000 0.528 196 T N -2.793 111.698 114.554 -0.105 0.000 3.043 196 T HA 0.467 4.817 4.350 -0.000 0.000 0.263 196 T C 0.863 175.710 174.700 0.246 0.000 1.094 196 T CA 0.714 62.846 62.100 0.053 0.000 1.127 196 T CB 0.114 68.967 68.868 -0.025 0.000 0.905 196 T HN 0.267 nan 8.240 nan 0.000 0.490 197 F N 1.826 121.646 119.950 -0.216 0.000 2.483 197 F HA 0.779 5.306 4.527 -0.000 0.000 0.329 197 F C 0.698 175.794 175.800 -1.174 0.000 1.064 197 F CA -2.914 54.849 58.000 -0.395 0.000 0.986 197 F CB 0.760 39.625 39.000 -0.224 0.000 1.218 197 F HN 0.132 nan 8.300 nan 0.000 0.484 198 A N 3.348 125.158 122.820 -1.683 0.000 2.546 198 A HA 0.302 4.622 4.320 -0.000 0.000 0.243 198 A C -1.716 175.297 177.584 -0.951 0.000 1.063 198 A CA -0.700 50.226 52.037 -1.850 0.000 0.757 198 A CB -0.568 17.255 19.000 -1.962 0.000 0.991 198 A HN 0.533 nan 8.150 nan 0.000 0.503 199 P HA 0.144 nan 4.420 nan 0.000 0.257 199 P C 0.674 177.615 177.300 -0.598 0.000 1.325 199 P CA 0.836 63.541 63.100 -0.658 0.000 0.850 199 P CB -0.012 31.514 31.700 -0.291 0.000 1.324 200 G N 0.864 109.233 108.800 -0.718 0.000 2.289 200 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.280 200 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.280 200 G C -0.175 174.561 174.900 -0.272 0.000 1.089 200 G CA -0.460 44.406 45.100 -0.390 0.000 0.939 200 G HN 0.372 nan 8.290 nan 0.000 0.499 201 R N -0.854 119.444 120.500 -0.338 0.000 2.598 201 R HA 0.831 5.171 4.340 -0.000 0.000 0.279 201 R C 0.542 176.717 176.300 -0.208 0.000 0.984 201 R CA 0.121 56.095 56.100 -0.211 0.000 0.999 201 R CB 1.663 31.894 30.300 -0.115 0.000 1.114 201 R HN 1.032 nan 8.270 nan 0.000 0.493 202 c N -1.596 116.897 118.600 -0.177 0.000 3.231 202 c HA 0.362 4.932 4.570 -0.000 0.000 0.343 202 c C -0.583 173.357 174.090 -0.250 0.000 1.349 202 c CA -1.126 55.064 56.329 -0.231 0.000 1.209 202 c CB 1.118 43.468 42.510 -0.266 0.000 1.475 202 c HN 0.762 nan 8.230 nan 0.000 0.460 203 S N 2.292 117.766 115.700 -0.377 0.000 2.533 203 S HA 0.182 4.651 4.470 -0.000 0.000 0.282 203 S C 1.206 175.518 174.600 -0.480 0.000 1.304 203 S CA 0.621 58.537 58.200 -0.473 0.000 1.063 203 S CB 0.887 63.556 63.200 -0.886 0.000 0.881 203 S HN 0.969 nan 8.310 nan 0.000 0.493 204 D N 3.649 123.899 120.400 -0.249 0.000 2.158 204 D HA -0.215 4.425 4.640 -0.000 0.000 0.197 204 D C 1.791 178.050 176.300 -0.069 0.000 0.995 204 D CA 1.270 55.200 54.000 -0.115 0.000 0.846 204 D CB -0.494 40.304 40.800 -0.004 0.000 0.941 204 D HN 0.872 nan 8.370 nan 0.000 0.456 205 W N 1.102 122.389 121.300 -0.022 0.000 2.468 205 W HA 0.043 4.702 4.660 -0.000 0.000 0.262 205 W C 1.394 177.903 176.519 -0.017 0.000 1.241 205 W CA -0.100 57.233 57.345 -0.019 0.000 1.232 205 W CB -0.938 28.509 29.460 -0.022 0.000 1.124 205 W HN -0.016 nan 8.180 nan 0.000 0.597 206 L N 1.621 122.663 121.223 -0.302 0.000 2.291 206 L HA -0.058 4.282 4.340 -0.000 0.000 0.214 206 L C 1.049 177.877 176.870 -0.070 0.000 1.120 206 L CA 0.969 55.667 54.840 -0.236 0.000 0.799 206 L CB -0.727 41.061 42.059 -0.451 0.000 0.925 206 L HN -0.226 nan 8.230 nan 0.000 0.446 207 K N 0.610 120.976 120.400 -0.056 0.000 3.244 207 K HA -0.173 4.146 4.320 -0.000 0.000 0.270 207 K C 0.134 176.718 176.600 -0.027 0.000 1.016 207 K CA 0.624 56.900 56.287 -0.019 0.000 0.754 207 K CB -2.033 30.479 32.500 0.021 0.000 1.326 207 K HN 0.348 nan 8.250 nan 0.000 0.465 208 L N -0.162 121.027 121.223 -0.057 0.000 2.857 208 L HA 0.157 4.497 4.340 -0.000 0.000 0.249 208 L C 0.376 177.215 176.870 -0.051 0.000 1.172 208 L CA -0.393 54.421 54.840 -0.044 0.000 0.980 208 L CB 0.045 42.075 42.059 -0.049 0.000 1.299 208 L HN 0.336 nan 8.230 nan 0.000 0.535 209 N N 0.499 119.166 118.700 -0.056 0.000 2.681 209 N HA -0.162 4.578 4.740 -0.000 0.000 0.259 209 N C -0.241 175.209 175.510 -0.100 0.000 1.066 209 N CA 0.440 53.451 53.050 -0.065 0.000 0.717 209 N CB -1.183 37.273 38.487 -0.052 0.000 0.885 209 N HN 0.309 nan 8.380 nan 0.000 0.547 210 c N -0.003 118.532 118.600 -0.108 0.000 2.362 210 c HA 0.400 4.969 4.570 -0.000 0.000 0.363 210 c C 2.178 176.191 174.090 -0.128 0.000 1.220 210 c CA -0.218 56.032 56.329 -0.131 0.000 2.379 210 c CB 1.236 43.659 42.510 -0.144 0.000 2.351 210 c HN 0.611 nan 8.230 nan 0.000 0.582 211 T N -1.255 113.217 114.554 -0.138 0.000 3.278 211 T HA 0.488 4.837 4.350 -0.000 0.000 0.251 211 T C 0.546 175.216 174.700 -0.049 0.000 1.039 211 T CA 0.534 62.576 62.100 -0.098 0.000 0.935 211 T CB -0.721 68.086 68.868 -0.101 0.000 1.034 211 T HN 1.797 nan 8.240 nan 0.000 0.575 212 G N -1.156 107.611 108.800 -0.055 0.000 2.408 212 G HA2 0.480 4.440 3.960 -0.000 0.000 0.682 212 G HA3 0.480 4.440 3.960 -0.000 0.000 0.682 212 G C -0.134 174.739 174.900 -0.044 0.000 1.303 212 G CA -0.451 44.630 45.100 -0.033 0.000 0.966 212 G HN 1.810 nan 8.290 nan 0.000 0.560 213 G N -0.934 107.852 108.800 -0.024 0.000 2.331 213 G HA2 0.538 4.497 3.960 -0.000 0.000 0.402 213 G HA3 0.538 4.497 3.960 -0.000 0.000 0.402 213 G C -1.587 173.291 174.900 -0.036 0.000 1.275 213 G CA 0.779 45.867 45.100 -0.020 0.000 1.003 213 G HN 2.216 nan 8.290 nan 0.000 0.500 214 D N -1.232 119.144 120.400 -0.041 0.000 2.419 214 D HA 0.513 5.153 4.640 -0.000 0.000 0.219 214 D C 0.956 177.215 176.300 -0.069 0.000 1.349 214 D CA 0.210 54.186 54.000 -0.040 0.000 0.964 214 D CB 1.167 41.972 40.800 0.009 0.000 1.463 214 D HN 0.331 nan 8.370 nan 0.000 0.573 215 S N 1.174 116.786 115.700 -0.147 0.000 2.515 215 S HA 0.070 4.540 4.470 -0.000 0.000 0.231 215 S C 1.767 176.301 174.600 -0.110 0.000 0.987 215 S CA 0.730 58.811 58.200 -0.199 0.000 0.936 215 S CB 0.377 63.368 63.200 -0.347 0.000 0.766 215 S HN 0.591 nan 8.310 nan 0.000 0.528 216 G N 0.548 109.351 108.800 0.006 0.000 2.838 216 G HA2 0.124 4.083 3.960 -0.000 0.000 0.210 216 G HA3 0.124 4.083 3.960 -0.000 0.000 0.210 216 G C 1.393 176.392 174.900 0.165 0.000 1.153 216 G CA -0.177 44.983 45.100 0.099 0.000 0.778 216 G HN 0.356 nan 8.290 nan 0.000 0.539 217 R N -0.681 119.880 120.500 0.102 0.000 2.493 217 R HA 0.197 4.537 4.340 -0.000 0.000 0.177 217 R C 2.164 178.504 176.300 0.068 0.000 0.861 217 R CA 0.127 56.292 56.100 0.107 0.000 1.083 217 R CB 0.079 30.398 30.300 0.031 0.000 1.328 217 R HN 0.197 nan 8.270 nan 0.000 0.615 218 E N 1.159 121.354 120.200 -0.009 0.000 2.097 218 E HA -0.165 4.184 4.350 -0.000 0.000 0.196 218 E C -1.133 175.379 176.600 -0.147 0.000 1.000 218 E CA 1.392 57.739 56.400 -0.088 0.000 0.804 218 E CB -0.769 28.899 29.700 -0.053 0.000 0.740 218 E HN 0.208 nan 8.360 nan 0.000 0.454 219 P HA -0.183 nan 4.420 nan 0.000 0.216 219 P C 0.836 178.086 177.300 -0.083 0.000 1.153 219 P CA 1.347 64.360 63.100 -0.145 0.000 0.858 219 P CB -0.142 31.371 31.700 -0.311 0.000 0.789 220 Y N -1.220 119.115 120.300 0.059 0.000 2.242 220 Y HA -0.089 4.461 4.550 -0.000 0.000 0.291 220 Y C 2.479 178.335 175.900 -0.073 0.000 1.137 220 Y CA 0.795 58.925 58.100 0.049 0.000 1.181 220 Y CB -1.236 37.157 38.460 -0.111 0.000 0.989 220 Y HN -0.124 nan 8.280 nan 0.000 0.527 221 L N -0.913 120.301 121.223 -0.014 0.000 2.027 221 L HA -0.213 4.127 4.340 -0.000 0.000 0.206 221 L C 2.611 179.401 176.870 -0.133 0.000 1.074 221 L CA 1.376 56.122 54.840 -0.156 0.000 0.745 221 L CB -0.855 41.138 42.059 -0.110 0.000 0.898 221 L HN 0.281 nan 8.230 nan 0.000 0.433 222 A N -0.159 122.570 122.820 -0.152 0.000 1.902 222 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 222 A C 2.447 179.998 177.584 -0.054 0.000 1.181 222 A CA 1.807 53.769 52.037 -0.126 0.000 0.623 222 A CB -0.652 18.137 19.000 -0.351 0.000 0.818 222 A HN 0.467 nan 8.150 nan 0.000 0.443 223 A N -1.626 121.140 122.820 -0.089 0.000 1.930 223 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 223 A C 2.130 179.729 177.584 0.025 0.000 1.175 223 A CA 1.630 53.590 52.037 -0.129 0.000 0.627 223 A CB -0.924 17.719 19.000 -0.595 0.000 0.815 223 A HN 0.741 nan 8.150 nan 0.000 0.443 224 H N -1.862 117.169 119.070 -0.064 0.000 2.293 224 H HA -0.177 4.379 4.556 -0.000 0.000 0.300 224 H C 1.852 177.179 175.328 -0.001 0.000 1.082 224 H CA 2.314 58.323 56.048 -0.064 0.000 1.308 224 H CB -0.054 29.518 29.762 -0.317 0.000 1.375 224 H HN 0.564 nan 8.280 nan 0.000 0.495 225 Y N 1.167 121.592 120.300 0.207 0.000 2.293 225 Y HA -0.132 4.418 4.550 -0.000 0.000 0.291 225 Y C 2.867 178.898 175.900 0.218 0.000 1.137 225 Y CA 0.696 58.918 58.100 0.203 0.000 1.202 225 Y CB -0.557 38.040 38.460 0.228 0.000 0.990 225 Y HN 0.286 nan 8.280 nan 0.000 0.537 226 Q N -0.164 119.760 119.800 0.207 0.000 2.050 226 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 226 Q C 2.264 178.288 176.000 0.040 0.000 0.980 226 Q CA 1.565 57.310 55.803 -0.096 0.000 0.840 226 Q CB -0.380 28.155 28.738 -0.338 0.000 0.898 226 Q HN 0.467 nan 8.270 nan 0.000 0.424 227 L N 0.254 121.548 121.223 0.119 0.000 2.046 227 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 227 L C 2.249 179.225 176.870 0.175 0.000 1.077 227 L CA 0.906 55.838 54.840 0.154 0.000 0.747 227 L CB -0.318 41.846 42.059 0.176 0.000 0.896 227 L HN 0.276 nan 8.230 nan 0.000 0.432 228 L N -0.771 120.554 121.223 0.171 0.000 2.056 228 L HA -0.170 4.169 4.340 -0.000 0.000 0.207 228 L C 2.872 179.853 176.870 0.185 0.000 1.078 228 L CA 1.070 56.014 54.840 0.173 0.000 0.749 228 L CB -0.808 41.377 42.059 0.210 0.000 0.901 228 L HN 0.230 nan 8.230 nan 0.000 0.433 229 A N -0.566 122.381 122.820 0.211 0.000 1.902 229 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 229 A C 2.320 180.069 177.584 0.275 0.000 1.181 229 A CA 1.800 53.971 52.037 0.223 0.000 0.623 229 A CB -0.965 18.078 19.000 0.072 0.000 0.818 229 A HN 0.555 nan 8.150 nan 0.000 0.443 230 H N 0.243 119.382 119.070 0.115 0.000 2.293 230 H HA -0.107 4.449 4.556 -0.000 0.000 0.300 230 H C 2.249 177.667 175.328 0.150 0.000 1.082 230 H CA 2.022 58.157 56.048 0.146 0.000 1.308 230 H CB -0.449 29.339 29.762 0.044 0.000 1.375 230 H HN 0.368 nan 8.280 nan 0.000 0.495 231 A N 1.611 124.410 122.820 -0.036 0.000 1.892 231 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 231 A C 2.803 180.351 177.584 -0.060 0.000 1.188 231 A CA 2.389 54.376 52.037 -0.083 0.000 0.631 231 A CB -1.286 17.738 19.000 0.040 0.000 0.822 231 A HN 0.659 nan 8.150 nan 0.000 0.447 232 A N -0.293 122.547 122.820 0.032 0.000 1.883 232 A HA 0.113 4.433 4.320 -0.000 0.000 0.217 232 A C 2.535 180.140 177.584 0.035 0.000 1.186 232 A CA 2.407 54.475 52.037 0.052 0.000 0.624 232 A CB -1.084 17.978 19.000 0.104 0.000 0.822 232 A HN 1.140 nan 8.150 nan 0.000 0.444 233 A N -0.476 122.373 122.820 0.048 0.000 1.930 233 A HA 0.245 4.564 4.320 -0.000 0.000 0.217 233 A C 2.476 180.098 177.584 0.063 0.000 1.175 233 A CA 1.914 53.962 52.037 0.018 0.000 0.627 233 A CB -0.905 18.073 19.000 -0.037 0.000 0.815 233 A HN 1.033 nan 8.150 nan 0.000 0.443 234 A N -0.642 122.125 122.820 -0.089 0.000 1.930 234 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 234 A C 2.199 179.769 177.584 -0.023 0.000 1.175 234 A CA 1.235 53.207 52.037 -0.107 0.000 0.627 234 A CB -0.353 18.457 19.000 -0.316 0.000 0.815 234 A HN 0.345 nan 8.150 nan 0.000 0.443 235 R N -0.872 119.612 120.500 -0.027 0.000 2.090 235 R HA -0.023 4.317 4.340 -0.000 0.000 0.228 235 R C 2.039 178.347 176.300 0.013 0.000 1.110 235 R CA 1.153 57.249 56.100 -0.007 0.000 0.973 235 R CB -1.277 29.016 30.300 -0.012 0.000 0.869 235 R HN 0.541 nan 8.270 nan 0.000 0.440 236 L N 0.105 121.362 121.223 0.056 0.000 1.989 236 L HA -0.205 4.135 4.340 -0.000 0.000 0.211 236 L C 2.235 179.171 176.870 0.110 0.000 1.071 236 L CA 1.746 56.653 54.840 0.112 0.000 0.749 236 L CB -0.877 41.295 42.059 0.189 0.000 0.890 236 L HN 0.100 nan 8.230 nan 0.000 0.431 237 Y N 0.509 120.741 120.300 -0.112 0.000 2.097 237 Y HA -0.310 4.240 4.550 -0.000 0.000 0.282 237 Y C 2.517 178.299 175.900 -0.196 0.000 1.152 237 Y CA 2.377 60.226 58.100 -0.419 0.000 1.136 237 Y CB -0.183 37.789 38.460 -0.812 0.000 0.975 237 Y HN 0.194 nan 8.280 nan 0.000 0.498 238 K N -1.030 119.330 120.400 -0.068 0.000 2.057 238 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 238 K C 2.056 178.569 176.600 -0.146 0.000 1.049 238 K CA 1.940 58.169 56.287 -0.096 0.000 0.931 238 K CB -0.375 32.117 32.500 -0.012 0.000 0.714 238 K HN 0.527 nan 8.250 nan 0.000 0.440 239 T N -1.441 113.041 114.554 -0.119 0.000 3.043 239 T HA 0.013 4.363 4.350 -0.000 0.000 0.263 239 T C 1.763 176.349 174.700 -0.190 0.000 1.094 239 T CA 0.773 62.798 62.100 -0.126 0.000 1.127 239 T CB 0.227 69.046 68.868 -0.082 0.000 0.905 239 T HN 0.096 nan 8.240 nan 0.000 0.490 240 K N -1.366 118.878 120.400 -0.260 0.000 2.474 240 K HA 0.280 4.600 4.320 -0.000 0.000 0.202 240 K C 0.735 176.912 176.600 -0.705 0.000 1.248 240 K CA -0.159 55.853 56.287 -0.457 0.000 0.946 240 K CB 0.634 32.832 32.500 -0.502 0.000 1.102 240 K HN 0.337 nan 8.250 nan 0.000 0.541 241 Y N 0.081 120.115 120.300 -0.444 0.000 2.467 241 Y HA 0.216 4.766 4.550 -0.000 0.000 0.259 241 Y C 2.032 177.514 175.900 -0.696 0.000 1.084 241 Y CA -0.088 57.678 58.100 -0.556 0.000 1.275 241 Y CB 0.387 38.422 38.460 -0.708 0.000 1.208 241 Y HN 0.027 nan 8.280 nan 0.000 0.511 242 Q N 0.836 120.206 119.800 -0.716 0.000 2.124 242 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 242 Q C 2.252 178.117 176.000 -0.225 0.000 0.977 242 Q CA 1.529 57.024 55.803 -0.513 0.000 0.850 242 Q CB -0.081 28.447 28.738 -0.350 0.000 0.901 242 Q HN 0.477 nan 8.270 nan 0.000 0.429 243 A N -0.013 122.690 122.820 -0.195 0.000 2.015 243 A HA -0.137 4.182 4.320 -0.000 0.000 0.219 243 A C 2.062 179.590 177.584 -0.094 0.000 1.163 243 A CA 1.650 53.614 52.037 -0.122 0.000 0.646 243 A CB -0.303 18.625 19.000 -0.120 0.000 0.806 243 A HN 0.539 nan 8.150 nan 0.000 0.448 244 S N -1.653 113.985 115.700 -0.103 0.000 2.499 244 S HA 0.025 4.495 4.470 -0.000 0.000 0.225 244 S C 1.765 176.354 174.600 -0.018 0.000 1.050 244 S CA 0.544 58.710 58.200 -0.057 0.000 0.928 244 S CB -0.241 62.923 63.200 -0.061 0.000 0.803 244 S HN 0.598 nan 8.310 nan 0.000 0.506 245 Q N 0.951 120.741 119.800 -0.017 0.000 2.302 245 Q HA 0.217 4.557 4.340 -0.000 0.000 0.202 245 Q C -0.346 175.690 176.000 0.059 0.000 0.936 245 Q CA 0.072 55.908 55.803 0.054 0.000 0.886 245 Q CB -0.003 28.810 28.738 0.124 0.000 0.986 245 Q HN 0.479 nan 8.270 nan 0.000 0.487 246 N N 0.397 119.113 118.700 0.026 0.000 2.740 246 N HA -0.136 4.604 4.740 -0.000 0.000 0.248 246 N C -0.392 175.144 175.510 0.043 0.000 1.062 246 N CA 0.888 53.953 53.050 0.025 0.000 0.704 246 N CB -1.242 37.251 38.487 0.010 0.000 0.968 246 N HN 0.403 nan 8.380 nan 0.000 0.547 247 G N -0.369 108.510 108.800 0.133 0.000 3.016 247 G HA2 0.869 4.829 3.960 -0.000 0.000 0.270 247 G HA3 0.869 4.829 3.960 -0.000 0.000 0.270 247 G C 0.044 175.022 174.900 0.130 0.000 1.352 247 G CA -0.700 44.439 45.100 0.065 0.000 1.060 247 G HN 0.286 nan 8.290 nan 0.000 0.538 248 I N -2.345 118.213 120.570 -0.020 0.000 2.828 248 I HA 0.786 4.955 4.170 -0.000 0.000 0.302 248 I C -1.313 174.852 176.117 0.081 0.000 1.101 248 I CA -1.207 60.149 61.300 0.092 0.000 1.031 248 I CB 2.576 40.673 38.000 0.162 0.000 1.231 248 I HN 0.488 nan 8.210 nan 0.000 0.427 249 I N 2.370 122.983 120.570 0.072 0.000 2.647 249 I HA 0.889 5.058 4.170 -0.000 0.000 0.295 249 I C -0.245 175.729 176.117 -0.239 0.000 1.078 249 I CA -0.102 61.171 61.300 -0.046 0.000 1.048 249 I CB 1.969 39.815 38.000 -0.258 0.000 1.239 249 I HN 0.959 nan 8.210 nan 0.000 0.421 250 G N 6.326 114.785 108.800 -0.568 0.000 2.911 250 G HA2 0.619 4.579 3.960 -0.000 0.000 0.299 250 G HA3 0.619 4.579 3.960 -0.000 0.000 0.299 250 G C -2.002 172.687 174.900 -0.352 0.000 1.283 250 G CA -0.583 44.010 45.100 -0.845 0.000 0.805 250 G HN 0.680 nan 8.290 nan 0.000 0.548 251 I N -0.529 119.842 120.570 -0.333 0.000 2.802 251 I HA 0.571 4.741 4.170 -0.000 0.000 0.298 251 I C -1.025 174.993 176.117 -0.166 0.000 1.176 251 I CA -0.569 60.610 61.300 -0.202 0.000 1.025 251 I CB 2.487 40.271 38.000 -0.359 0.000 1.243 251 I HN 0.453 nan 8.210 nan 0.000 0.424 252 T N 7.485 121.970 114.554 -0.114 0.000 2.743 252 T HA 0.551 4.900 4.350 -0.000 0.000 0.292 252 T C -0.404 174.213 174.700 -0.139 0.000 0.972 252 T CA -0.293 61.759 62.100 -0.080 0.000 0.967 252 T CB 0.444 69.278 68.868 -0.056 0.000 0.926 252 T HN 0.275 nan 8.240 nan 0.000 0.459 253 L N 3.150 124.307 121.223 -0.109 0.000 2.334 253 L HA 0.766 5.106 4.340 -0.000 0.000 0.273 253 L C -0.173 176.677 176.870 -0.034 0.000 1.013 253 L CA -1.276 53.491 54.840 -0.122 0.000 0.816 253 L CB 1.865 43.855 42.059 -0.115 0.000 1.278 253 L HN 0.292 nan 8.230 nan 0.000 0.431 254 V N 1.503 121.387 119.914 -0.049 0.000 2.547 254 V HA 0.739 4.859 4.120 -0.000 0.000 0.299 254 V C -0.469 175.530 176.094 -0.159 0.000 1.040 254 V CA 0.096 62.368 62.300 -0.047 0.000 0.913 254 V CB 1.992 33.790 31.823 -0.042 0.000 0.992 254 V HN 0.826 nan 8.190 nan 0.000 0.449 255 S N 3.440 119.080 115.700 -0.100 0.000 2.537 255 S HA 0.604 5.073 4.470 -0.000 0.000 0.271 255 S C -1.199 173.436 174.600 0.057 0.000 1.148 255 S CA -0.593 57.542 58.200 -0.108 0.000 0.868 255 S CB 1.171 64.440 63.200 0.116 0.000 1.115 255 S HN 0.957 nan 8.310 nan 0.000 0.461 256 H N 1.343 120.460 119.070 0.079 0.000 2.517 256 H HA 0.434 4.990 4.556 -0.000 0.000 0.346 256 H C -0.665 174.758 175.328 0.157 0.000 1.222 256 H CA -0.683 55.416 56.048 0.086 0.000 1.314 256 H CB 0.862 30.492 29.762 -0.220 0.000 1.609 256 H HN 0.622 nan 8.280 nan 0.000 0.571 257 W N 2.709 124.164 121.300 0.257 0.000 2.417 257 W HA 0.306 4.966 4.660 -0.000 0.000 0.317 257 W C -1.912 174.549 176.519 -0.098 0.000 1.121 257 W CA -0.780 56.658 57.345 0.155 0.000 1.208 257 W CB 0.658 30.254 29.460 0.227 0.000 1.253 257 W HN 0.438 nan 8.180 nan 0.000 0.533 258 F N 4.288 123.656 119.950 -0.970 0.000 2.375 258 F HA 0.144 4.671 4.527 -0.000 0.000 0.361 258 F C 0.059 175.273 175.800 -0.977 0.000 1.117 258 F CA -0.736 56.846 58.000 -0.697 0.000 1.037 258 F CB 1.363 40.096 39.000 -0.445 0.000 1.192 258 F HN 0.296 nan 8.300 nan 0.000 0.452 259 E N 5.962 125.967 120.200 -0.325 0.000 2.156 259 E HA 0.419 4.769 4.350 -0.000 0.000 0.279 259 E C -2.688 173.982 176.600 0.117 0.000 0.965 259 E CA -2.824 53.550 56.400 -0.043 0.000 0.789 259 E CB 1.152 30.853 29.700 0.001 0.000 1.098 259 E HN 0.086 nan 8.360 nan 0.000 0.397 260 P HA -0.015 nan 4.420 nan 0.000 0.265 260 P C -0.216 177.175 177.300 0.153 0.000 1.193 260 P CA 0.237 63.404 63.100 0.111 0.000 0.765 260 P CB 1.094 32.843 31.700 0.083 0.000 0.823 261 A N 3.018 125.869 122.820 0.051 0.000 1.933 261 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 261 A C 1.140 178.415 177.584 -0.514 0.000 1.175 261 A CA 2.097 54.008 52.037 -0.210 0.000 0.628 261 A CB -0.677 18.283 19.000 -0.067 0.000 0.814 261 A HN 0.670 nan 8.150 nan 0.000 0.444 262 S N -3.073 112.496 115.700 -0.219 0.000 2.840 262 S HA 0.553 5.023 4.470 -0.000 0.000 0.307 262 S C 0.125 174.702 174.600 -0.037 0.000 1.180 262 S CA -0.241 57.864 58.200 -0.159 0.000 0.846 262 S CB 1.118 64.282 63.200 -0.060 0.000 1.233 262 S HN 0.085 nan 8.310 nan 0.000 0.548 263 K N 0.431 120.829 120.400 -0.004 0.000 2.400 263 K HA 0.231 4.551 4.320 -0.000 0.000 0.194 263 K C 0.093 176.711 176.600 0.029 0.000 1.033 263 K CA 0.226 56.530 56.287 0.027 0.000 1.021 263 K CB -0.102 32.419 32.500 0.035 0.000 0.808 263 K HN 0.565 nan 8.250 nan 0.000 0.505 264 E N 1.052 121.265 120.200 0.021 0.000 2.467 264 E HA -0.147 4.202 4.350 -0.000 0.000 0.264 264 E C 0.674 177.288 176.600 0.024 0.000 1.020 264 E CA 0.270 56.684 56.400 0.022 0.000 0.945 264 E CB 0.636 30.348 29.700 0.019 0.000 0.942 264 E HN 0.076 nan 8.360 nan 0.000 0.449 265 K N 2.373 122.788 120.400 0.024 0.000 2.057 265 K HA -0.219 4.100 4.320 -0.000 0.000 0.207 265 K C 1.889 178.501 176.600 0.019 0.000 1.049 265 K CA 1.421 57.724 56.287 0.025 0.000 0.931 265 K CB -0.081 32.433 32.500 0.024 0.000 0.714 265 K HN 0.575 nan 8.250 nan 0.000 0.440 266 A N 1.296 124.124 122.820 0.013 0.000 1.933 266 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 266 A C 1.560 179.144 177.584 0.000 0.000 1.175 266 A CA 2.069 54.109 52.037 0.005 0.000 0.628 266 A CB -0.440 18.563 19.000 0.004 0.000 0.814 266 A HN 0.369 nan 8.150 nan 0.000 0.444 267 D N -0.742 119.662 120.400 0.006 0.000 2.194 267 D HA -0.015 4.625 4.640 -0.000 0.000 0.204 267 D C 2.039 178.344 176.300 0.008 0.000 0.964 267 D CA 0.977 54.980 54.000 0.005 0.000 0.846 267 D CB -0.247 40.556 40.800 0.004 0.000 0.962 267 D HN 0.203 nan 8.370 nan 0.000 0.490 268 V N 1.493 121.419 119.914 0.020 0.000 2.307 268 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 268 V C 1.704 177.807 176.094 0.016 0.000 1.045 268 V CA 1.663 63.983 62.300 0.033 0.000 1.024 268 V CB -0.325 31.529 31.823 0.052 0.000 0.651 268 V HN 0.070 nan 8.190 nan 0.000 0.449 269 D N 0.335 120.741 120.400 0.010 0.000 2.178 269 D HA -0.076 4.564 4.640 -0.000 0.000 0.202 269 D C 2.171 178.450 176.300 -0.036 0.000 0.974 269 D CA 1.461 55.461 54.000 0.000 0.000 0.841 269 D CB -0.249 40.555 40.800 0.006 0.000 0.953 269 D HN 0.444 nan 8.370 nan 0.000 0.478 270 A N 1.010 123.799 122.820 -0.051 0.000 1.898 270 A HA 0.016 4.335 4.320 -0.000 0.000 0.216 270 A C 2.312 179.802 177.584 -0.157 0.000 1.181 270 A CA 1.892 53.870 52.037 -0.099 0.000 0.620 270 A CB -0.632 18.323 19.000 -0.074 0.000 0.819 270 A HN 0.220 nan 8.150 nan 0.000 0.442 271 A N 0.055 122.802 122.820 -0.122 0.000 1.902 271 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 271 A C 2.088 179.521 177.584 -0.253 0.000 1.181 271 A CA 1.923 53.855 52.037 -0.174 0.000 0.623 271 A CB -0.436 18.488 19.000 -0.126 0.000 0.818 271 A HN 0.547 nan 8.150 nan 0.000 0.443 272 K N -0.551 119.757 120.400 -0.153 0.000 2.057 272 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 272 K C 2.269 178.806 176.600 -0.105 0.000 1.049 272 K CA 1.502 57.729 56.287 -0.101 0.000 0.931 272 K CB -0.192 32.312 32.500 0.008 0.000 0.714 272 K HN 0.372 nan 8.250 nan 0.000 0.440 273 R N 0.051 120.484 120.500 -0.112 0.000 2.115 273 R HA -0.072 4.268 4.340 -0.000 0.000 0.230 273 R C 2.471 178.663 176.300 -0.181 0.000 1.111 273 R CA 1.221 57.282 56.100 -0.065 0.000 0.976 273 R CB -0.432 29.801 30.300 -0.112 0.000 0.870 273 R HN 0.348 nan 8.270 nan 0.000 0.445 274 G N 1.281 109.778 108.800 -0.505 0.000 2.421 274 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 274 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 274 G C 1.441 175.889 174.900 -0.754 0.000 1.171 274 G CA 0.432 44.878 45.100 -1.090 0.000 0.775 274 G HN 0.132 nan 8.290 nan 0.000 0.543 275 L N 0.254 121.214 121.223 -0.438 0.000 2.056 275 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 275 L C 2.548 179.445 176.870 0.044 0.000 1.078 275 L CA 1.056 55.814 54.840 -0.138 0.000 0.749 275 L CB -0.326 41.508 42.059 -0.374 0.000 0.901 275 L HN 0.094 nan 8.230 nan 0.000 0.433 276 D N -0.213 120.224 120.400 0.061 0.000 2.117 276 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 276 D C 2.006 178.363 176.300 0.095 0.000 0.987 276 D CA 1.467 55.540 54.000 0.121 0.000 0.829 276 D CB -0.102 40.753 40.800 0.093 0.000 0.961 276 D HN 0.185 nan 8.370 nan 0.000 0.460 277 F N -0.157 119.735 119.950 -0.096 0.000 2.558 277 F HA 0.134 4.661 4.527 -0.000 0.000 0.298 277 F C 2.253 178.107 175.800 0.090 0.000 1.119 277 F CA 0.411 58.330 58.000 -0.135 0.000 1.451 277 F CB -0.057 38.801 39.000 -0.236 0.000 1.091 277 F HN -0.087 nan 8.300 nan 0.000 0.563 278 M N -1.403 118.375 119.600 0.297 0.000 2.751 278 M HA 0.063 4.543 4.480 -0.000 0.000 0.252 278 M C 1.802 178.321 176.300 0.366 0.000 1.264 278 M CA 1.069 56.553 55.300 0.306 0.000 1.237 278 M CB -0.079 32.512 32.600 -0.015 0.000 1.242 278 M HN 0.153 nan 8.290 nan 0.000 0.525 279 L N -0.025 121.369 121.223 0.286 0.000 2.145 279 L HA 0.335 4.675 4.340 -0.000 0.000 0.201 279 L C 2.166 179.256 176.870 0.366 0.000 1.075 279 L CA 1.934 56.962 54.840 0.313 0.000 0.773 279 L CB -1.101 41.135 42.059 0.295 0.000 0.936 279 L HN 0.354 nan 8.230 nan 0.000 0.451 280 G N -0.862 108.171 108.800 0.388 0.000 2.442 280 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.219 280 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.219 280 G C 1.333 176.443 174.900 0.350 0.000 1.141 280 G CA 0.766 46.118 45.100 0.420 0.000 0.763 280 G HN 0.551 nan 8.290 nan 0.000 0.554 281 W N 1.224 122.542 121.300 0.030 0.000 2.304 281 W HA -0.114 4.545 4.660 -0.000 0.000 0.315 281 W C 1.982 178.304 176.519 -0.329 0.000 1.233 281 W CA 1.403 58.629 57.345 -0.198 0.000 1.261 281 W CB -0.724 28.505 29.460 -0.384 0.000 1.150 281 W HN 0.259 nan 8.180 nan 0.000 0.494 282 F N -1.841 118.267 119.950 0.264 0.000 2.383 282 F HA -0.027 4.500 4.527 -0.000 0.000 0.287 282 F C 2.390 178.151 175.800 -0.066 0.000 1.069 282 F CA 0.745 58.758 58.000 0.020 0.000 1.402 282 F CB -1.166 37.770 39.000 -0.106 0.000 1.116 282 F HN -0.327 nan 8.300 nan 0.000 0.549 283 M N -0.460 119.167 119.600 0.046 0.000 2.254 283 M HA -0.132 4.348 4.480 -0.000 0.000 0.265 283 M C 2.164 178.398 176.300 -0.109 0.000 1.066 283 M CA 1.479 56.614 55.300 -0.274 0.000 1.123 283 M CB -1.227 30.866 32.600 -0.845 0.000 1.388 283 M HN 0.272 nan 8.290 nan 0.000 0.425 284 H N 0.043 119.153 119.070 0.067 0.000 2.270 284 H HA -0.096 4.459 4.556 -0.000 0.000 0.299 284 H C -0.592 174.762 175.328 0.042 0.000 1.077 284 H CA 2.063 58.215 56.048 0.173 0.000 1.294 284 H CB -1.172 28.729 29.762 0.230 0.000 1.371 284 H HN 0.176 nan 8.280 nan 0.000 0.491 285 P HA -0.140 nan 4.420 nan 0.000 0.215 285 P C 1.748 178.949 177.300 -0.165 0.000 1.153 285 P CA 1.134 64.119 63.100 -0.192 0.000 0.853 285 P CB -0.186 31.347 31.700 -0.278 0.000 0.788 286 L N -1.320 119.850 121.223 -0.089 0.000 2.191 286 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 286 L C 2.163 179.124 176.870 0.152 0.000 1.103 286 L CA 2.066 56.896 54.840 -0.015 0.000 0.769 286 L CB -1.125 40.803 42.059 -0.219 0.000 0.908 286 L HN 0.201 nan 8.230 nan 0.000 0.438 287 T N -5.599 109.006 114.554 0.086 0.000 2.978 287 T HA 0.088 4.438 4.350 -0.000 0.000 0.248 287 T C 1.583 176.304 174.700 0.035 0.000 1.018 287 T CA -0.106 62.072 62.100 0.130 0.000 1.026 287 T CB 0.346 69.322 68.868 0.181 0.000 1.032 287 T HN 0.091 nan 8.240 nan 0.000 0.485 288 K N 0.201 120.588 120.400 -0.020 0.000 2.481 288 K HA 0.460 4.779 4.320 -0.000 0.000 0.210 288 K C 1.079 177.647 176.600 -0.053 0.000 1.161 288 K CA 0.319 56.587 56.287 -0.032 0.000 1.023 288 K CB 1.063 33.536 32.500 -0.045 0.000 0.971 288 K HN 0.337 nan 8.250 nan 0.000 0.577 289 G N 2.869 111.591 108.800 -0.130 0.000 2.198 289 G HA2 -0.324 3.635 3.960 -0.000 0.000 0.260 289 G HA3 -0.324 3.635 3.960 -0.000 0.000 0.260 289 G C -0.334 174.419 174.900 -0.246 0.000 1.025 289 G CA 0.931 45.867 45.100 -0.273 0.000 0.769 289 G HN 0.401 nan 8.290 nan 0.000 0.507 290 R N -2.402 118.033 120.500 -0.108 0.000 2.663 290 R HA 0.623 4.963 4.340 -0.000 0.000 0.267 290 R C -0.744 175.640 176.300 0.140 0.000 1.038 290 R CA -1.310 54.831 56.100 0.068 0.000 0.886 290 R CB 0.784 31.170 30.300 0.142 0.000 1.249 290 R HN 0.053 nan 8.270 nan 0.000 0.463 291 Y N 1.031 121.512 120.300 0.301 0.000 2.357 291 Y HA 0.284 4.834 4.550 -0.000 0.000 0.340 291 Y C -1.752 174.161 175.900 0.021 0.000 1.260 291 Y CA -1.930 56.272 58.100 0.170 0.000 1.425 291 Y CB 0.153 38.666 38.460 0.087 0.000 1.326 291 Y HN 0.467 nan 8.280 nan 0.000 0.580 292 P HA -0.050 nan 4.420 nan 0.000 0.268 292 P C 0.595 177.821 177.300 -0.122 0.000 1.208 292 P CA 0.072 62.934 63.100 -0.397 0.000 0.777 292 P CB 0.689 32.115 31.700 -0.457 0.000 0.875 293 E N 1.749 121.909 120.200 -0.067 0.000 2.058 293 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 293 E C 1.779 178.398 176.600 0.032 0.000 0.997 293 E CA 2.118 58.526 56.400 0.012 0.000 0.801 293 E CB -0.252 29.462 29.700 0.023 0.000 0.746 293 E HN 0.525 nan 8.360 nan 0.000 0.450 294 S N 0.422 116.140 115.700 0.029 0.000 2.374 294 S HA -0.249 4.221 4.470 -0.000 0.000 0.227 294 S C 2.110 176.766 174.600 0.092 0.000 1.037 294 S CA 1.787 60.064 58.200 0.127 0.000 1.024 294 S CB -0.486 62.818 63.200 0.173 0.000 0.861 294 S HN 0.296 nan 8.310 nan 0.000 0.456 295 M N 0.966 120.437 119.600 -0.216 0.000 2.132 295 M HA -0.014 4.466 4.480 -0.000 0.000 0.263 295 M C 2.757 178.915 176.300 -0.238 0.000 1.065 295 M CA 1.426 56.414 55.300 -0.520 0.000 1.122 295 M CB -0.409 31.671 32.600 -0.866 0.000 1.365 295 M HN 0.334 nan 8.290 nan 0.000 0.411 296 R N -0.813 119.624 120.500 -0.105 0.000 2.081 296 R HA -0.186 4.154 4.340 -0.000 0.000 0.235 296 R C 2.194 178.505 176.300 0.017 0.000 1.131 296 R CA 1.641 57.721 56.100 -0.033 0.000 0.960 296 R CB -0.549 29.777 30.300 0.044 0.000 0.856 296 R HN 0.348 nan 8.270 nan 0.000 0.436 297 Y N 1.068 121.337 120.300 -0.052 0.000 2.220 297 Y HA -0.055 4.495 4.550 -0.000 0.000 0.291 297 Y C 1.743 177.625 175.900 -0.029 0.000 1.129 297 Y CA 1.283 59.365 58.100 -0.030 0.000 1.161 297 Y CB 0.001 38.456 38.460 -0.008 0.000 0.997 297 Y HN -0.080 nan 8.280 nan 0.000 0.522 298 L N -1.418 119.747 121.223 -0.096 0.000 2.477 298 L HA 0.012 4.352 4.340 -0.000 0.000 0.220 298 L C 1.663 178.447 176.870 -0.144 0.000 1.106 298 L CA 0.151 54.895 54.840 -0.162 0.000 0.851 298 L CB 0.097 42.183 42.059 0.045 0.000 0.994 298 L HN 0.030 nan 8.230 nan 0.000 0.462 299 V N -1.592 118.221 119.914 -0.169 0.000 3.263 299 V HA 0.123 4.243 4.120 -0.000 0.000 0.248 299 V C 1.443 177.372 176.094 -0.275 0.000 1.145 299 V CA 0.147 62.281 62.300 -0.278 0.000 1.107 299 V CB -0.105 31.419 31.823 -0.499 0.000 0.797 299 V HN 0.372 nan 8.190 nan 0.000 0.467 300 R N 0.332 120.701 120.500 -0.219 0.000 3.793 300 R HA -0.398 3.942 4.340 -0.000 0.000 0.464 300 R C 1.769 177.959 176.300 -0.184 0.000 0.241 300 R CA 2.155 58.153 56.100 -0.169 0.000 1.464 300 R CB -1.364 28.840 30.300 -0.160 0.000 0.954 300 R HN 0.279 nan 8.270 nan 0.000 0.583 301 K N 0.910 121.214 120.400 -0.160 0.000 2.113 301 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 301 K C 2.059 178.540 176.600 -0.198 0.000 1.047 301 K CA 2.058 58.254 56.287 -0.151 0.000 0.928 301 K CB -0.205 32.224 32.500 -0.118 0.000 0.716 301 K HN 0.244 nan 8.250 nan 0.000 0.446 302 R N 0.330 120.680 120.500 -0.250 0.000 2.328 302 R HA -0.015 4.325 4.340 -0.000 0.000 0.207 302 R C 0.026 176.038 176.300 -0.479 0.000 1.056 302 R CA 0.174 56.089 56.100 -0.309 0.000 1.016 302 R CB -0.148 29.980 30.300 -0.286 0.000 0.872 302 R HN 0.040 nan 8.270 nan 0.000 0.471 303 L N 2.307 123.222 121.223 -0.513 0.000 2.260 303 L HA 0.306 4.646 4.340 -0.000 0.000 0.289 303 L C -2.263 174.400 176.870 -0.345 0.000 1.057 303 L CA -2.455 52.057 54.840 -0.547 0.000 0.811 303 L CB 0.785 42.519 42.059 -0.542 0.000 1.184 303 L HN -0.179 nan 8.230 nan 0.000 0.429 304 P HA 0.132 nan 4.420 nan 0.000 0.270 304 P C -1.311 175.784 177.300 -0.342 0.000 1.227 304 P CA -0.123 62.667 63.100 -0.515 0.000 0.788 304 P CB 0.427 31.479 31.700 -1.081 0.000 0.926 305 K N 0.558 120.764 120.400 -0.323 0.000 2.259 305 K HA 0.498 4.818 4.320 -0.000 0.000 0.252 305 K C -0.637 175.924 176.600 -0.065 0.000 0.936 305 K CA -0.544 55.665 56.287 -0.130 0.000 0.810 305 K CB 0.993 33.469 32.500 -0.040 0.000 1.143 305 K HN 0.245 nan 8.250 nan 0.000 0.427 306 F N 0.922 120.981 119.950 0.181 0.000 2.379 306 F HA 0.189 4.715 4.527 -0.000 0.000 0.332 306 F C 1.269 177.111 175.800 0.071 0.000 1.096 306 F CA -0.370 57.701 58.000 0.117 0.000 1.105 306 F CB 1.253 40.249 39.000 -0.008 0.000 1.189 306 F HN 0.493 nan 8.300 nan 0.000 0.515 307 S N 0.070 115.927 115.700 0.262 0.000 2.661 307 S HA 0.189 4.659 4.470 -0.000 0.000 0.265 307 S C 1.012 175.690 174.600 0.130 0.000 1.225 307 S CA -0.373 57.919 58.200 0.153 0.000 0.986 307 S CB 0.913 64.184 63.200 0.118 0.000 1.008 307 S HN 0.632 nan 8.310 nan 0.000 0.565 308 T N 0.804 115.408 114.554 0.083 0.000 2.746 308 T HA -0.083 4.267 4.350 -0.000 0.000 0.267 308 T C 1.749 176.472 174.700 0.039 0.000 1.039 308 T CA 1.469 63.602 62.100 0.055 0.000 1.142 308 T CB -0.466 68.426 68.868 0.040 0.000 0.866 308 T HN 0.641 nan 8.240 nan 0.000 0.444 309 E N 1.212 121.438 120.200 0.043 0.000 2.077 309 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 309 E C 2.168 178.785 176.600 0.028 0.000 0.989 309 E CA 1.252 57.671 56.400 0.031 0.000 0.800 309 E CB -0.111 29.610 29.700 0.036 0.000 0.746 309 E HN 0.587 nan 8.360 nan 0.000 0.452 310 E N -0.156 120.078 120.200 0.057 0.000 2.077 310 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 310 E C 2.244 178.803 176.600 -0.068 0.000 0.989 310 E CA 1.218 57.649 56.400 0.052 0.000 0.800 310 E CB -0.027 29.783 29.700 0.184 0.000 0.746 310 E HN 0.047 nan 8.360 nan 0.000 0.452 311 S N 0.589 116.244 115.700 -0.075 0.000 2.356 311 S HA -0.201 4.269 4.470 -0.000 0.000 0.223 311 S C 1.870 176.401 174.600 -0.115 0.000 1.032 311 S CA 1.247 59.344 58.200 -0.170 0.000 1.005 311 S CB -0.139 63.014 63.200 -0.078 0.000 0.867 311 S HN 0.188 nan 8.310 nan 0.000 0.449 312 K N 1.097 121.465 120.400 -0.054 0.000 2.026 312 K HA -0.135 4.185 4.320 -0.000 0.000 0.208 312 K C 2.026 178.604 176.600 -0.037 0.000 1.048 312 K CA 1.520 57.785 56.287 -0.036 0.000 0.929 312 K CB -0.141 32.349 32.500 -0.016 0.000 0.713 312 K HN 0.340 nan 8.250 nan 0.000 0.439 313 E N 0.383 120.562 120.200 -0.034 0.000 2.110 313 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 313 E C 2.086 178.671 176.600 -0.024 0.000 0.988 313 E CA 1.055 57.441 56.400 -0.024 0.000 0.804 313 E CB 0.038 29.732 29.700 -0.010 0.000 0.745 313 E HN 0.313 nan 8.360 nan 0.000 0.458 314 L N 0.578 121.763 121.223 -0.064 0.000 2.095 314 L HA -0.045 4.295 4.340 -0.000 0.000 0.204 314 L C 0.877 177.741 176.870 -0.010 0.000 1.080 314 L CA 0.488 55.294 54.840 -0.056 0.000 0.759 314 L CB -0.064 41.850 42.059 -0.242 0.000 0.914 314 L HN 0.000 nan 8.230 nan 0.000 0.439 315 T N 0.769 115.293 114.554 -0.050 0.000 2.792 315 T HA 0.197 4.547 4.350 -0.000 0.000 0.286 315 T C 1.025 175.740 174.700 0.026 0.000 0.970 315 T CA 0.762 62.855 62.100 -0.012 0.000 1.187 315 T CB 0.370 69.217 68.868 -0.034 0.000 0.915 315 T HN 0.600 nan 8.240 nan 0.000 0.529 316 G N 3.219 112.065 108.800 0.076 0.000 2.168 316 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.257 316 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.257 316 G C 0.583 175.469 174.900 -0.023 0.000 0.997 316 G CA 0.238 45.323 45.100 -0.025 0.000 0.708 316 G HN 1.130 nan 8.290 nan 0.000 0.520 317 S N -0.238 115.569 115.700 0.178 0.000 3.456 317 S HA 0.607 5.077 4.470 -0.000 0.000 0.229 317 S C 0.046 174.862 174.600 0.359 0.000 1.416 317 S CA 0.092 58.406 58.200 0.191 0.000 1.197 317 S CB -0.873 62.427 63.200 0.166 0.000 1.201 317 S HN 1.674 nan 8.310 nan 0.000 0.479 318 F N -2.154 117.824 119.950 0.047 0.000 2.650 318 F HA 0.577 5.104 4.527 -0.000 0.000 0.310 318 F C -0.399 175.398 175.800 -0.004 0.000 1.112 318 F CA -1.241 56.757 58.000 -0.005 0.000 0.986 318 F CB 0.484 39.457 39.000 -0.045 0.000 1.285 318 F HN -0.082 nan 8.300 nan 0.000 0.440 319 D N 2.030 122.441 120.400 0.018 0.000 2.301 319 D HA 0.127 4.767 4.640 -0.000 0.000 0.206 319 D C -0.062 176.415 176.300 0.296 0.000 0.979 319 D CA 1.561 55.616 54.000 0.092 0.000 0.874 319 D CB 0.404 41.326 40.800 0.204 0.000 0.968 319 D HN 0.433 nan 8.370 nan 0.000 0.510 320 F N -0.809 119.346 119.950 0.341 0.000 2.686 320 F HA 0.536 5.063 4.527 -0.000 0.000 0.311 320 F C -1.719 174.357 175.800 0.459 0.000 1.128 320 F CA -1.715 56.527 58.000 0.405 0.000 0.946 320 F CB 1.042 40.303 39.000 0.435 0.000 1.336 320 F HN -0.295 nan 8.300 nan 0.000 0.457 321 L N 2.068 123.618 121.223 0.545 0.000 2.307 321 L HA 0.890 5.230 4.340 -0.000 0.000 0.284 321 L C -0.210 176.920 176.870 0.434 0.000 1.023 321 L CA -0.341 54.652 54.840 0.254 0.000 0.810 321 L CB 1.605 43.745 42.059 0.135 0.000 1.231 321 L HN 0.966 nan 8.230 nan 0.000 0.423 322 G N 5.243 114.212 108.800 0.282 0.000 2.356 322 G HA2 0.498 4.458 3.960 -0.000 0.000 0.312 322 G HA3 0.498 4.458 3.960 -0.000 0.000 0.312 322 G C -1.375 173.621 174.900 0.160 0.000 1.096 322 G CA -0.363 44.917 45.100 0.300 0.000 0.950 322 G HN 0.633 nan 8.290 nan 0.000 0.428 323 L N 2.565 123.902 121.223 0.190 0.000 2.307 323 L HA 0.582 4.922 4.340 -0.000 0.000 0.284 323 L C -0.948 176.014 176.870 0.153 0.000 1.023 323 L CA -0.930 54.007 54.840 0.162 0.000 0.810 323 L CB 1.668 43.848 42.059 0.200 0.000 1.231 323 L HN 0.305 nan 8.230 nan 0.000 0.423 324 N N 4.275 123.055 118.700 0.133 0.000 2.424 324 N HA 0.344 5.084 4.740 -0.000 0.000 0.271 324 N C -1.756 173.876 175.510 0.203 0.000 0.985 324 N CA -0.133 52.990 53.050 0.121 0.000 0.921 324 N CB 1.241 39.796 38.487 0.113 0.000 1.149 324 N HN 0.575 nan 8.380 nan 0.000 0.492 325 Y N 2.021 122.344 120.300 0.038 0.000 2.442 325 Y HA 0.422 4.971 4.550 -0.000 0.000 0.344 325 Y C -0.789 175.132 175.900 0.034 0.000 0.976 325 Y CA -0.479 57.712 58.100 0.152 0.000 1.040 325 Y CB 0.981 39.569 38.460 0.214 0.000 1.228 325 Y HN 0.573 nan 8.280 nan 0.000 0.451 326 Y N 1.535 121.484 120.300 -0.585 0.000 2.844 326 Y HA 0.322 4.872 4.550 -0.000 0.000 0.256 326 Y C 0.677 176.352 175.900 -0.374 0.000 1.134 326 Y CA 0.338 58.291 58.100 -0.246 0.000 1.209 326 Y CB 0.684 39.295 38.460 0.252 0.000 1.418 326 Y HN 0.499 nan 8.280 nan 0.000 0.459 327 S N -0.707 114.889 115.700 -0.173 0.000 2.667 327 S HA 0.809 5.279 4.470 -0.000 0.000 0.292 327 S C -0.948 173.738 174.600 0.144 0.000 1.126 327 S CA -0.402 57.806 58.200 0.014 0.000 0.881 327 S CB 1.567 64.829 63.200 0.104 0.000 1.132 327 S HN 0.044 nan 8.310 nan 0.000 0.492 328 S N 0.792 116.592 115.700 0.166 0.000 2.570 328 S HA 0.789 5.259 4.470 -0.000 0.000 0.286 328 S C -1.983 172.587 174.600 -0.050 0.000 1.099 328 S CA -0.426 57.902 58.200 0.213 0.000 0.913 328 S CB 1.109 64.583 63.200 0.457 0.000 1.085 328 S HN 0.613 nan 8.310 nan 0.000 0.480 329 Y N -0.073 120.101 120.300 -0.210 0.000 2.553 329 Y HA 0.516 5.066 4.550 -0.000 0.000 0.347 329 Y C -1.049 174.736 175.900 -0.192 0.000 1.019 329 Y CA -0.961 57.011 58.100 -0.213 0.000 1.032 329 Y CB 0.979 39.278 38.460 -0.268 0.000 1.284 329 Y HN 0.582 nan 8.280 nan 0.000 0.466 330 Y N 1.170 121.528 120.300 0.096 0.000 2.313 330 Y HA 0.628 5.178 4.550 -0.000 0.000 0.332 330 Y C 0.096 176.057 175.900 0.102 0.000 1.071 330 Y CA -0.792 57.343 58.100 0.057 0.000 1.169 330 Y CB 1.210 39.696 38.460 0.042 0.000 1.192 330 Y HN 0.600 nan 8.280 nan 0.000 0.487 331 A N 2.643 125.619 122.820 0.260 0.000 2.331 331 A HA 0.918 5.238 4.320 -0.000 0.000 0.320 331 A C -1.017 176.612 177.584 0.074 0.000 1.138 331 A CA -0.360 51.764 52.037 0.144 0.000 0.790 331 A CB 0.652 19.701 19.000 0.083 0.000 1.206 331 A HN 0.800 nan 8.150 nan 0.000 0.470 332 A N 2.062 124.905 122.820 0.039 0.000 2.454 332 A HA 0.707 5.027 4.320 -0.000 0.000 0.302 332 A C -0.153 177.421 177.584 -0.017 0.000 1.079 332 A CA -0.754 51.293 52.037 0.016 0.000 0.731 332 A CB 0.992 20.012 19.000 0.034 0.000 1.299 332 A HN 0.892 nan 8.150 nan 0.000 0.413 333 K N 1.101 121.489 120.400 -0.020 0.000 2.382 333 K HA 0.450 4.770 4.320 -0.000 0.000 0.275 333 K C -0.181 176.398 176.600 -0.035 0.000 1.009 333 K CA 0.305 56.570 56.287 -0.036 0.000 0.970 333 K CB 0.547 33.032 32.500 -0.025 0.000 0.934 333 K HN 0.845 nan 8.250 nan 0.000 0.479 334 A N 5.909 128.697 122.820 -0.052 0.000 2.318 334 A HA 0.475 4.795 4.320 -0.000 0.000 0.324 334 A C -2.424 175.134 177.584 -0.045 0.000 1.170 334 A CA -1.749 50.260 52.037 -0.046 0.000 0.810 334 A CB 0.821 19.788 19.000 -0.055 0.000 1.198 334 A HN 0.650 nan 8.150 nan 0.000 0.484 335 P HA 0.170 nan 4.420 nan 0.000 0.271 335 P C -0.704 176.572 177.300 -0.040 0.000 1.218 335 P CA -0.192 62.888 63.100 -0.033 0.000 0.780 335 P CB 0.571 32.256 31.700 -0.025 0.000 0.901 336 R N 2.508 122.983 120.500 -0.042 0.000 2.421 336 R HA 0.263 4.603 4.340 -0.000 0.000 0.305 336 R C 0.245 176.518 176.300 -0.045 0.000 1.039 336 R CA -0.193 55.877 56.100 -0.049 0.000 1.003 336 R CB -0.260 30.010 30.300 -0.050 0.000 0.959 336 R HN 0.497 nan 8.270 nan 0.000 0.427 337 I N 6.078 126.619 120.570 -0.049 0.000 2.325 337 I HA 0.160 4.330 4.170 -0.000 0.000 0.291 337 I C -1.558 174.523 176.117 -0.059 0.000 1.019 337 I CA -2.242 59.028 61.300 -0.049 0.000 1.302 337 I CB 1.126 39.099 38.000 -0.046 0.000 1.401 337 I HN 0.326 nan 8.210 nan 0.000 0.485 338 P HA 0.034 nan 4.420 nan 0.000 0.267 338 P C 0.019 177.275 177.300 -0.074 0.000 1.205 338 P CA 0.225 63.289 63.100 -0.060 0.000 0.765 338 P CB 0.624 32.294 31.700 -0.049 0.000 0.828 339 N N 0.623 119.273 118.700 -0.084 0.000 2.925 339 N HA -0.179 4.561 4.740 -0.000 0.000 0.244 339 N C -0.346 175.080 175.510 -0.140 0.000 1.000 339 N CA 1.050 54.038 53.050 -0.104 0.000 0.895 339 N CB -1.740 36.688 38.487 -0.098 0.000 1.119 339 N HN 0.643 nan 8.380 nan 0.000 0.569 340 A N 0.566 123.306 122.820 -0.133 0.000 2.477 340 A HA 0.502 4.822 4.320 -0.000 0.000 0.246 340 A C 0.507 177.972 177.584 -0.199 0.000 1.078 340 A CA 0.157 52.095 52.037 -0.165 0.000 0.770 340 A CB 0.266 19.202 19.000 -0.107 0.000 1.011 340 A HN 0.387 nan 8.150 nan 0.000 0.494 341 R N 2.184 122.478 120.500 -0.345 0.000 2.490 341 R HA 0.407 4.747 4.340 -0.000 0.000 0.280 341 R C -2.336 173.919 176.300 -0.076 0.000 1.077 341 R CA -1.096 54.795 56.100 -0.348 0.000 1.065 341 R CB 0.005 29.816 30.300 -0.814 0.000 1.003 341 R HN 0.552 nan 8.270 nan 0.000 0.470 342 P HA 0.274 nan 4.420 nan 0.000 0.276 342 P C -1.396 176.028 177.300 0.207 0.000 1.230 342 P CA -0.350 62.801 63.100 0.086 0.000 0.776 342 P CB 1.501 33.223 31.700 0.036 0.000 0.888 343 A N 2.654 125.553 122.820 0.131 0.000 2.566 343 A HA 0.315 4.635 4.320 -0.000 0.000 0.297 343 A C 0.768 178.339 177.584 -0.022 0.000 1.059 343 A CA -0.694 51.374 52.037 0.053 0.000 0.691 343 A CB 0.619 19.652 19.000 0.056 0.000 1.282 343 A HN 0.550 nan 8.150 nan 0.000 0.401 344 I N 1.352 121.857 120.570 -0.109 0.000 2.208 344 I HA -0.292 3.877 4.170 -0.000 0.000 0.245 344 I C 2.697 178.701 176.117 -0.189 0.000 1.097 344 I CA 2.417 63.615 61.300 -0.170 0.000 1.363 344 I CB -0.007 37.700 38.000 -0.489 0.000 1.051 344 I HN 0.866 nan 8.210 nan 0.000 0.413 345 Q N 0.141 119.804 119.800 -0.228 0.000 2.181 345 Q HA -0.236 4.104 4.340 -0.000 0.000 0.205 345 Q C 1.883 177.808 176.000 -0.124 0.000 0.980 345 Q CA 2.440 58.147 55.803 -0.159 0.000 0.862 345 Q CB -1.392 27.261 28.738 -0.142 0.000 0.905 345 Q HN 0.666 nan 8.270 nan 0.000 0.429 346 T N -2.744 111.749 114.554 -0.101 0.000 3.044 346 T HA 0.051 4.401 4.350 -0.000 0.000 0.250 346 T C 1.122 175.735 174.700 -0.145 0.000 1.081 346 T CA 0.372 62.416 62.100 -0.094 0.000 1.040 346 T CB 0.159 69.013 68.868 -0.022 0.000 0.962 346 T HN -0.011 nan 8.240 nan 0.000 0.506 347 D N 2.761 123.071 120.400 -0.151 0.000 2.149 347 D HA -0.104 4.536 4.640 -0.000 0.000 0.198 347 D C 2.391 178.477 176.300 -0.357 0.000 0.990 347 D CA 1.781 55.690 54.000 -0.152 0.000 0.839 347 D CB -0.292 40.524 40.800 0.025 0.000 0.948 347 D HN 0.656 nan 8.370 nan 0.000 0.460 348 S N -0.027 115.235 115.700 -0.730 0.000 2.515 348 S HA -0.028 4.442 4.470 -0.000 0.000 0.231 348 S C 1.276 175.569 174.600 -0.511 0.000 0.987 348 S CA -0.056 57.495 58.200 -1.082 0.000 0.936 348 S CB -0.305 61.998 63.200 -1.495 0.000 0.766 348 S HN 0.378 nan 8.310 nan 0.000 0.528 349 L N 0.290 121.319 121.223 -0.323 0.000 3.601 349 L HA -0.134 4.206 4.340 -0.000 0.000 0.469 349 L C -0.755 176.008 176.870 -0.178 0.000 1.294 349 L CA -0.012 54.711 54.840 -0.195 0.000 0.829 349 L CB -1.689 40.284 42.059 -0.143 0.000 1.628 349 L HN 0.452 nan 8.230 nan 0.000 0.868 350 I N 0.075 120.529 120.570 -0.193 0.000 2.647 350 I HA 0.325 4.495 4.170 -0.000 0.000 0.295 350 I C 0.235 176.290 176.117 -0.103 0.000 1.078 350 I CA -0.239 60.965 61.300 -0.160 0.000 1.048 350 I CB 2.127 39.981 38.000 -0.243 0.000 1.239 350 I HN 0.206 nan 8.210 nan 0.000 0.421 351 N N 4.765 123.431 118.700 -0.057 0.000 2.511 351 N HA 0.639 5.379 4.740 -0.000 0.000 0.249 351 N C -1.093 174.423 175.510 0.011 0.000 0.971 351 N CA -0.329 52.709 53.050 -0.020 0.000 0.938 351 N CB 1.106 39.590 38.487 -0.005 0.000 1.131 351 N HN 0.698 nan 8.380 nan 0.000 0.505 352 A N 2.702 125.527 122.820 0.009 0.000 2.276 352 A HA 0.574 4.894 4.320 -0.000 0.000 0.316 352 A C 0.122 177.743 177.584 0.062 0.000 1.229 352 A CA -0.387 51.686 52.037 0.060 0.000 0.851 352 A CB 0.864 19.844 19.000 -0.033 0.000 1.165 352 A HN 0.687 nan 8.150 nan 0.000 0.513 353 T N -1.963 112.645 114.554 0.089 0.000 2.804 353 T HA 0.685 5.035 4.350 -0.000 0.000 0.290 353 T C -0.443 174.192 174.700 -0.108 0.000 1.099 353 T CA -0.340 61.740 62.100 -0.034 0.000 1.011 353 T CB 0.800 69.717 68.868 0.081 0.000 1.291 353 T HN 0.255 nan 8.240 nan 0.000 0.523 354 F N 0.649 120.686 119.950 0.144 0.000 2.654 354 F HA 0.431 4.958 4.527 -0.000 0.000 0.303 354 F C 0.427 176.336 175.800 0.182 0.000 1.099 354 F CA -0.718 57.311 58.000 0.049 0.000 1.270 354 F CB 0.104 39.056 39.000 -0.080 0.000 1.024 354 F HN 0.733 nan 8.300 nan 0.000 0.548 355 E N -1.631 118.804 120.200 0.392 0.000 2.413 355 E HA 0.317 4.667 4.350 -0.000 0.000 0.277 355 E C -1.398 175.259 176.600 0.096 0.000 0.958 355 E CA -0.822 55.751 56.400 0.289 0.000 0.779 355 E CB 1.274 31.069 29.700 0.159 0.000 1.278 355 E HN 0.124 nan 8.360 nan 0.000 0.456 356 H N 1.723 120.694 119.070 -0.166 0.000 2.991 356 H HA 0.360 4.916 4.556 -0.000 0.000 0.304 356 H C -0.790 174.448 175.328 -0.149 0.000 1.040 356 H CA -0.570 55.263 56.048 -0.359 0.000 1.410 356 H CB -0.005 29.335 29.762 -0.703 0.000 1.529 356 H HN 0.839 nan 8.280 nan 0.000 0.509 357 N N 3.107 121.540 118.700 -0.445 0.000 2.780 357 N HA -0.219 4.521 4.740 -0.000 0.000 0.248 357 N C 0.985 176.422 175.510 -0.122 0.000 1.102 357 N CA 0.636 53.507 53.050 -0.299 0.000 0.697 357 N CB -0.885 37.403 38.487 -0.332 0.000 1.028 357 N HN 1.002 nan 8.380 nan 0.000 0.554 358 G N -0.103 108.656 108.800 -0.067 0.000 2.234 358 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.260 358 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.260 358 G C 0.064 174.981 174.900 0.028 0.000 0.987 358 G CA 0.802 45.898 45.100 -0.007 0.000 0.625 358 G HN 0.527 nan 8.290 nan 0.000 0.532 359 K N 2.136 122.558 120.400 0.038 0.000 2.276 359 K HA 0.452 4.772 4.320 -0.000 0.000 0.285 359 K C -2.112 174.580 176.600 0.153 0.000 1.062 359 K CA -1.940 54.397 56.287 0.083 0.000 0.918 359 K CB 1.311 33.862 32.500 0.085 0.000 1.055 359 K HN 0.121 nan 8.250 nan 0.000 0.477 360 P HA -0.048 nan 4.420 nan 0.000 0.271 360 P C 0.292 177.700 177.300 0.179 0.000 1.218 360 P CA -0.339 62.856 63.100 0.159 0.000 0.780 360 P CB 0.925 32.677 31.700 0.086 0.000 0.901 361 L N 1.958 123.272 121.223 0.153 0.000 2.109 361 L HA 0.271 4.611 4.340 -0.000 0.000 0.207 361 L C 0.886 177.741 176.870 -0.025 0.000 1.086 361 L CA 2.058 56.853 54.840 -0.075 0.000 0.760 361 L CB -0.784 41.002 42.059 -0.455 0.000 0.910 361 L HN 0.704 nan 8.230 nan 0.000 0.437 362 G N -2.066 106.739 108.800 0.008 0.000 2.441 362 G HA2 0.423 4.383 3.960 -0.000 0.000 0.294 362 G HA3 0.423 4.383 3.960 -0.000 0.000 0.294 362 G C -3.093 171.789 174.900 -0.030 0.000 1.393 362 G CA -0.475 44.645 45.100 0.033 0.000 0.796 362 G HN -0.070 nan 8.290 nan 0.000 0.494 363 P HA 0.499 nan 4.420 nan 0.000 0.276 363 P C -0.538 176.672 177.300 -0.151 0.000 1.261 363 P CA -0.381 62.676 63.100 -0.072 0.000 0.800 363 P CB 0.829 32.506 31.700 -0.039 0.000 1.066 364 M N -0.016 119.469 119.600 -0.192 0.000 2.537 364 M HA 0.576 5.056 4.480 -0.000 0.000 0.324 364 M C 0.466 176.615 176.300 -0.253 0.000 1.187 364 M CA -0.952 54.172 55.300 -0.292 0.000 0.993 364 M CB 1.234 33.634 32.600 -0.334 0.000 1.666 364 M HN 0.431 nan 8.290 nan 0.000 0.461 365 A N 1.350 123.966 122.820 -0.340 0.000 2.621 365 A HA 0.783 5.103 4.320 -0.000 0.000 0.267 365 A C 1.202 178.511 177.584 -0.458 0.000 1.506 365 A CA 0.358 52.170 52.037 -0.374 0.000 0.873 365 A CB -0.442 18.299 19.000 -0.430 0.000 1.577 365 A HN 0.913 nan 8.150 nan 0.000 0.536 366 A N -0.820 121.631 122.820 -0.616 0.000 1.968 366 A HA 0.228 4.548 4.320 -0.000 0.000 0.217 366 A C 1.322 178.525 177.584 -0.634 0.000 1.169 366 A CA 1.237 52.722 52.037 -0.919 0.000 0.638 366 A CB -0.720 17.458 19.000 -1.370 0.000 0.812 366 A HN 0.569 nan 8.150 nan 0.000 0.446 367 S N 0.590 115.959 115.700 -0.552 0.000 2.528 367 S HA 0.245 4.714 4.470 -0.000 0.000 0.277 367 S C 1.427 175.745 174.600 -0.469 0.000 1.297 367 S CA 0.252 58.187 58.200 -0.442 0.000 1.052 367 S CB 1.301 64.094 63.200 -0.678 0.000 0.917 367 S HN 0.653 nan 8.310 nan 0.000 0.492 368 S N 3.109 118.711 115.700 -0.163 0.000 2.547 368 S HA -0.049 4.421 4.470 -0.000 0.000 0.235 368 S C 1.224 175.840 174.600 0.025 0.000 0.980 368 S CA 0.144 58.315 58.200 -0.048 0.000 0.941 368 S CB -0.315 62.958 63.200 0.122 0.000 0.763 368 S HN 0.961 nan 8.310 nan 0.000 0.532 369 W N 0.250 121.587 121.300 0.062 0.000 3.177 369 W HA 0.485 5.145 4.660 -0.000 0.000 0.309 369 W C -0.035 176.460 176.519 -0.041 0.000 1.224 369 W CA -0.735 56.726 57.345 0.192 0.000 1.718 369 W CB -0.347 29.267 29.460 0.257 0.000 1.078 369 W HN 0.236 nan 8.180 nan 0.000 0.618 370 L N 3.374 124.116 121.223 -0.802 0.000 2.270 370 L HA 0.404 4.744 4.340 -0.000 0.000 0.286 370 L C -0.608 175.917 176.870 -0.576 0.000 1.059 370 L CA -1.133 53.258 54.840 -0.748 0.000 0.839 370 L CB 0.296 41.637 42.059 -1.198 0.000 1.221 370 L HN 0.112 nan 8.230 nan 0.000 0.431 371 C N 6.672 125.672 119.300 -0.500 0.000 2.295 371 C HA 0.555 5.014 4.460 -0.000 0.000 0.331 371 C C 0.468 175.406 174.990 -0.087 0.000 1.280 371 C CA -1.012 57.743 59.018 -0.438 0.000 1.746 371 C CB -0.442 26.935 27.740 -0.605 0.000 2.328 371 C HN 0.751 nan 8.230 nan 0.000 0.521 372 I N 6.617 127.183 120.570 -0.006 0.000 2.347 372 I HA 0.181 4.351 4.170 -0.000 0.000 0.294 372 I C -0.582 175.657 176.117 0.204 0.000 1.090 372 I CA 0.282 61.681 61.300 0.164 0.000 1.314 372 I CB -0.006 38.090 38.000 0.161 0.000 1.423 372 I HN 0.673 nan 8.210 nan 0.000 0.503 373 Y N 9.318 129.668 120.300 0.083 0.000 2.563 373 Y HA 0.372 4.921 4.550 -0.000 0.000 0.351 373 Y C -2.221 173.629 175.900 -0.083 0.000 1.087 373 Y CA -2.355 55.745 58.100 0.000 0.000 1.272 373 Y CB 1.034 39.513 38.460 0.032 0.000 1.095 373 Y HN 0.381 nan 8.280 nan 0.000 0.620 374 P HA -0.205 nan 4.420 nan 0.000 0.217 374 P C 0.949 177.645 177.300 -1.006 0.000 1.148 374 P CA 1.687 64.259 63.100 -0.881 0.000 0.828 374 P CB 0.451 31.783 31.700 -0.614 0.000 0.783 375 Q N -0.829 118.159 119.800 -1.353 0.000 2.170 375 Q HA -0.071 4.268 4.340 -0.000 0.000 0.203 375 Q C 2.434 177.846 176.000 -0.980 0.000 0.976 375 Q CA 1.720 56.644 55.803 -1.466 0.000 0.858 375 Q CB -1.442 26.522 28.738 -1.291 0.000 0.907 375 Q HN 0.272 nan 8.270 nan 0.000 0.433 376 G N 0.986 109.342 108.800 -0.742 0.000 2.469 376 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.219 376 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.219 376 G C 1.419 175.901 174.900 -0.697 0.000 1.150 376 G CA 0.812 45.673 45.100 -0.397 0.000 0.763 376 G HN 0.387 nan 8.290 nan 0.000 0.561 377 I N -0.072 119.982 120.570 -0.860 0.000 2.179 377 I HA -0.119 4.050 4.170 -0.000 0.000 0.242 377 I C 2.859 178.769 176.117 -0.345 0.000 1.088 377 I CA 1.395 62.271 61.300 -0.705 0.000 1.357 377 I CB -0.138 37.690 38.000 -0.288 0.000 1.051 377 I HN 0.175 nan 8.210 nan 0.000 0.409 378 R N 1.116 121.427 120.500 -0.315 0.000 2.073 378 R HA -0.203 4.137 4.340 -0.000 0.000 0.234 378 R C 2.239 178.375 176.300 -0.272 0.000 1.134 378 R CA 1.658 57.640 56.100 -0.197 0.000 0.952 378 R CB -0.158 30.089 30.300 -0.087 0.000 0.850 378 R HN 0.336 nan 8.270 nan 0.000 0.433 379 K N 0.405 120.493 120.400 -0.519 0.000 2.057 379 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 379 K C 2.147 178.442 176.600 -0.510 0.000 1.050 379 K CA 1.141 56.975 56.287 -0.754 0.000 0.935 379 K CB -0.279 31.237 32.500 -1.641 0.000 0.715 379 K HN 0.126 nan 8.250 nan 0.000 0.439 380 L N 1.709 122.756 121.223 -0.294 0.000 2.017 380 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 380 L C 1.974 178.970 176.870 0.209 0.000 1.073 380 L CA 1.491 56.439 54.840 0.179 0.000 0.745 380 L CB -0.412 41.768 42.059 0.201 0.000 0.894 380 L HN 0.113 nan 8.230 nan 0.000 0.432 381 L N -1.160 120.114 121.223 0.086 0.000 2.042 381 L HA -0.266 4.073 4.340 -0.000 0.000 0.210 381 L C 2.503 179.457 176.870 0.140 0.000 1.076 381 L CA 1.471 56.385 54.840 0.123 0.000 0.749 381 L CB -0.530 41.572 42.059 0.073 0.000 0.893 381 L HN 0.333 nan 8.230 nan 0.000 0.432 382 L N -2.033 119.247 121.223 0.095 0.000 2.156 382 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 382 L C 2.533 179.530 176.870 0.212 0.000 1.095 382 L CA 0.978 55.884 54.840 0.110 0.000 0.770 382 L CB -0.599 41.489 42.059 0.049 0.000 0.914 382 L HN 0.203 nan 8.230 nan 0.000 0.439 383 Y N 0.434 120.843 120.300 0.182 0.000 2.145 383 Y HA -0.240 4.310 4.550 -0.000 0.000 0.286 383 Y C 2.397 178.479 175.900 0.303 0.000 1.145 383 Y CA 1.709 59.977 58.100 0.281 0.000 1.148 383 Y CB -0.196 38.481 38.460 0.361 0.000 0.981 383 Y HN -0.161 nan 8.280 nan 0.000 0.507 384 V N 1.337 121.494 119.914 0.405 0.000 2.295 384 V HA -0.332 3.787 4.120 -0.000 0.000 0.246 384 V C 2.465 178.719 176.094 0.267 0.000 1.049 384 V CA 2.373 64.917 62.300 0.406 0.000 1.024 384 V CB -0.811 31.247 31.823 0.391 0.000 0.648 384 V HN 0.400 nan 8.190 nan 0.000 0.447 385 K N 0.610 121.125 120.400 0.192 0.000 2.032 385 K HA -0.241 4.079 4.320 -0.000 0.000 0.209 385 K C 1.839 178.482 176.600 0.071 0.000 1.048 385 K CA 2.433 58.798 56.287 0.129 0.000 0.927 385 K CB -0.315 32.245 32.500 0.100 0.000 0.712 385 K HN 0.602 nan 8.250 nan 0.000 0.441 386 N N -1.087 117.637 118.700 0.042 0.000 2.300 386 N HA -0.088 4.652 4.740 -0.000 0.000 0.179 386 N C 1.380 176.762 175.510 -0.212 0.000 1.016 386 N CA 0.766 53.789 53.050 -0.044 0.000 0.876 386 N CB 0.032 38.523 38.487 0.008 0.000 0.979 386 N HN 0.271 nan 8.380 nan 0.000 0.432 387 H N -1.682 117.168 119.070 -0.368 0.000 2.553 387 H HA 0.158 4.713 4.556 -0.000 0.000 0.276 387 H C -0.141 174.786 175.328 -0.668 0.000 0.979 387 H CA 0.711 56.380 56.048 -0.633 0.000 1.268 387 H CB 0.481 29.531 29.762 -1.187 0.000 1.450 387 H HN 0.183 nan 8.280 nan 0.000 0.527 388 Y N 0.674 121.004 120.300 0.050 0.000 2.669 388 Y HA 0.227 4.777 4.550 -0.000 0.000 0.302 388 Y C 0.012 175.961 175.900 0.082 0.000 1.000 388 Y CA -1.170 56.976 58.100 0.076 0.000 1.222 388 Y CB -0.506 38.030 38.460 0.126 0.000 1.209 388 Y HN 0.069 nan 8.280 nan 0.000 0.571 389 N N 2.278 121.048 118.700 0.116 0.000 2.699 389 N HA -0.353 4.387 4.740 -0.000 0.000 0.256 389 N C -0.182 175.392 175.510 0.108 0.000 0.993 389 N CA 1.231 54.329 53.050 0.081 0.000 0.759 389 N CB -1.087 37.442 38.487 0.069 0.000 0.906 389 N HN 0.839 nan 8.380 nan 0.000 0.541 390 N N -1.356 117.416 118.700 0.119 0.000 2.667 390 N HA -0.153 4.587 4.740 -0.000 0.000 0.263 390 N C -2.149 173.444 175.510 0.138 0.000 1.038 390 N CA -0.134 52.986 53.050 0.117 0.000 0.749 390 N CB 0.104 38.635 38.487 0.072 0.000 0.892 390 N HN 0.275 nan 8.380 nan 0.000 0.546 391 P HA 0.128 nan 4.420 nan 0.000 0.275 391 P C -0.100 177.320 177.300 0.200 0.000 1.266 391 P CA -0.459 62.778 63.100 0.228 0.000 0.793 391 P CB 0.597 32.517 31.700 0.367 0.000 1.074 392 V N 1.322 121.368 119.914 0.220 0.000 2.488 392 V HA 0.166 4.286 4.120 -0.000 0.000 0.277 392 V C 0.623 176.865 176.094 0.247 0.000 1.046 392 V CA 0.197 62.608 62.300 0.185 0.000 0.986 392 V CB -0.168 31.779 31.823 0.207 0.000 0.989 392 V HN 0.288 nan 8.190 nan 0.000 0.475 393 I N 5.073 125.717 120.570 0.123 0.000 2.569 393 I HA 0.493 4.663 4.170 -0.000 0.000 0.296 393 I C -1.155 174.949 176.117 -0.022 0.000 1.028 393 I CA -0.578 60.823 61.300 0.169 0.000 1.082 393 I CB 2.009 40.117 38.000 0.181 0.000 1.264 393 I HN 0.445 nan 8.210 nan 0.000 0.429 394 Y N 5.376 125.793 120.300 0.196 0.000 2.361 394 Y HA 0.444 4.994 4.550 -0.000 0.000 0.337 394 Y C -0.143 175.855 175.900 0.163 0.000 0.965 394 Y CA -0.860 57.311 58.100 0.119 0.000 1.091 394 Y CB 1.665 40.160 38.460 0.059 0.000 1.182 394 Y HN 0.246 nan 8.280 nan 0.000 0.450 395 I N 4.009 124.761 120.570 0.303 0.000 2.347 395 I HA 0.022 4.192 4.170 -0.000 0.000 0.294 395 I C 1.150 177.391 176.117 0.206 0.000 1.090 395 I CA 0.245 61.690 61.300 0.242 0.000 1.314 395 I CB 0.538 38.695 38.000 0.262 0.000 1.423 395 I HN 0.777 nan 8.210 nan 0.000 0.503 396 T N 2.047 116.684 114.554 0.138 0.000 3.107 396 T HA 0.248 4.598 4.350 -0.000 0.000 0.249 396 T C 0.504 175.237 174.700 0.055 0.000 1.096 396 T CA 0.069 62.182 62.100 0.021 0.000 1.012 396 T CB 0.283 69.103 68.868 -0.079 0.000 0.977 396 T HN 0.592 nan 8.240 nan 0.000 0.527 397 E N 0.514 120.740 120.200 0.044 0.000 2.381 397 E HA 0.423 4.773 4.350 -0.000 0.000 0.286 397 E C -1.564 174.929 176.600 -0.179 0.000 0.960 397 E CA -0.692 55.735 56.400 0.045 0.000 0.793 397 E CB 1.719 31.477 29.700 0.097 0.000 1.225 397 E HN 0.237 nan 8.360 nan 0.000 0.420 398 N N 1.782 120.383 118.700 -0.165 0.000 2.554 398 N HA 0.549 5.289 4.740 -0.000 0.000 0.271 398 N C -1.297 174.290 175.510 0.128 0.000 1.081 398 N CA -0.193 52.764 53.050 -0.156 0.000 0.994 398 N CB 1.884 40.415 38.487 0.073 0.000 1.641 398 N HN 0.645 nan 8.380 nan 0.000 0.511 399 G N 1.613 110.402 108.800 -0.018 0.000 2.320 399 G HA2 0.423 4.382 3.960 -0.000 0.000 0.296 399 G HA3 0.423 4.382 3.960 -0.000 0.000 0.296 399 G C -1.944 172.700 174.900 -0.427 0.000 1.306 399 G CA -0.826 44.201 45.100 -0.123 0.000 0.836 399 G HN 0.795 nan 8.290 nan 0.000 0.517 400 R N -1.098 119.085 120.500 -0.528 0.000 2.831 400 R HA 0.821 5.161 4.340 -0.000 0.000 0.266 400 R C -0.955 174.919 176.300 -0.709 0.000 1.051 400 R CA -0.984 54.717 56.100 -0.665 0.000 0.943 400 R CB 1.597 31.334 30.300 -0.938 0.000 1.228 400 R HN 0.793 nan 8.270 nan 0.000 0.467 401 N N -0.406 117.759 118.700 -0.892 0.000 2.509 401 N HA 0.360 5.100 4.740 -0.000 0.000 0.280 401 N C -1.349 173.830 175.510 -0.552 0.000 1.306 401 N CA -0.981 51.541 53.050 -0.880 0.000 0.782 401 N CB 1.642 39.299 38.487 -1.383 0.000 1.493 401 N HN 0.781 nan 8.380 nan 0.000 0.498 402 E N -0.377 119.582 120.200 -0.401 0.000 2.392 402 E HA 0.452 4.801 4.350 -0.000 0.000 0.269 402 E C -1.315 175.149 176.600 -0.226 0.000 0.924 402 E CA -0.613 55.616 56.400 -0.286 0.000 0.784 402 E CB 1.089 30.733 29.700 -0.094 0.000 1.292 402 E HN 0.370 nan 8.360 nan 0.000 0.447 403 F N 1.023 120.957 119.950 -0.027 0.000 2.389 403 F HA 0.196 4.723 4.527 -0.000 0.000 0.337 403 F C 1.060 176.895 175.800 0.058 0.000 1.112 403 F CA -0.540 57.467 58.000 0.011 0.000 1.192 403 F CB 0.612 39.619 39.000 0.011 0.000 1.185 403 F HN 0.475 nan 8.300 nan 0.000 0.552 404 N N 1.777 120.664 118.700 0.312 0.000 2.442 404 N HA 0.098 4.838 4.740 -0.000 0.000 0.265 404 N C -1.553 174.080 175.510 0.205 0.000 1.138 404 N CA 0.045 53.237 53.050 0.238 0.000 0.956 404 N CB 0.343 38.954 38.487 0.206 0.000 1.067 404 N HN 0.496 nan 8.380 nan 0.000 0.474 405 D N 3.834 124.348 120.400 0.191 0.000 2.473 405 D HA 0.357 4.997 4.640 -0.000 0.000 0.253 405 D C -2.097 174.277 176.300 0.124 0.000 1.233 405 D CA -1.993 52.085 54.000 0.131 0.000 0.908 405 D CB 1.683 42.554 40.800 0.118 0.000 1.170 405 D HN 0.354 nan 8.370 nan 0.000 0.558 406 P HA -0.035 nan 4.420 nan 0.000 0.226 406 P C 1.196 178.535 177.300 0.065 0.000 1.153 406 P CA 0.872 64.027 63.100 0.091 0.000 0.777 406 P CB 0.110 31.853 31.700 0.072 0.000 0.794 407 T N -3.636 110.947 114.554 0.049 0.000 3.067 407 T HA 0.066 4.416 4.350 -0.000 0.000 0.261 407 T C 0.763 175.479 174.700 0.026 0.000 1.110 407 T CA 0.165 62.283 62.100 0.031 0.000 1.113 407 T CB -0.707 68.173 68.868 0.020 0.000 0.917 407 T HN -0.032 nan 8.240 nan 0.000 0.499 408 L N 3.253 124.498 121.223 0.037 0.000 2.371 408 L HA 0.391 4.730 4.340 -0.000 0.000 0.272 408 L C 0.959 177.825 176.870 -0.006 0.000 1.124 408 L CA -0.887 53.963 54.840 0.017 0.000 0.816 408 L CB 0.968 43.045 42.059 0.031 0.000 1.129 408 L HN 0.324 nan 8.230 nan 0.000 0.448 409 S N 1.928 117.606 115.700 -0.036 0.000 2.624 409 S HA 0.117 4.587 4.470 -0.000 0.000 0.263 409 S C 0.811 175.327 174.600 -0.140 0.000 1.287 409 S CA -0.702 57.457 58.200 -0.068 0.000 0.990 409 S CB 1.106 64.269 63.200 -0.062 0.000 0.950 409 S HN 0.567 nan 8.310 nan 0.000 0.561 410 L N 0.910 122.011 121.223 -0.202 0.000 2.017 410 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 410 L C 2.871 179.552 176.870 -0.315 0.000 1.073 410 L CA 2.185 56.801 54.840 -0.373 0.000 0.745 410 L CB -1.128 40.678 42.059 -0.422 0.000 0.894 410 L HN 0.986 nan 8.230 nan 0.000 0.432 411 Q N -0.548 119.135 119.800 -0.195 0.000 2.112 411 Q HA -0.289 4.051 4.340 -0.000 0.000 0.206 411 Q C 2.073 178.010 176.000 -0.104 0.000 0.987 411 Q CA 2.387 58.113 55.803 -0.129 0.000 0.858 411 Q CB -0.156 28.530 28.738 -0.086 0.000 0.905 411 Q HN 0.684 nan 8.270 nan 0.000 0.420 412 E N -0.492 119.651 120.200 -0.094 0.000 2.077 412 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 412 E C 2.135 178.699 176.600 -0.060 0.000 0.989 412 E CA 1.215 57.578 56.400 -0.061 0.000 0.800 412 E CB 0.033 29.707 29.700 -0.042 0.000 0.746 412 E HN 0.226 nan 8.360 nan 0.000 0.452 413 S N 0.711 116.340 115.700 -0.118 0.000 2.402 413 S HA -0.033 4.436 4.470 -0.000 0.000 0.229 413 S C 1.840 176.384 174.600 -0.093 0.000 1.021 413 S CA 0.632 58.762 58.200 -0.117 0.000 0.974 413 S CB -0.005 63.011 63.200 -0.307 0.000 0.800 413 S HN 0.203 nan 8.310 nan 0.000 0.484 414 L N 0.884 122.029 121.223 -0.130 0.000 2.478 414 L HA 0.159 4.499 4.340 -0.000 0.000 0.223 414 L C 0.424 177.313 176.870 0.032 0.000 1.140 414 L CA 0.405 55.227 54.840 -0.030 0.000 0.842 414 L CB -0.318 41.713 42.059 -0.045 0.000 0.953 414 L HN 0.206 nan 8.230 nan 0.000 0.452 415 L N 2.558 123.789 121.223 0.013 0.000 2.480 415 L HA 0.063 4.403 4.340 -0.000 0.000 0.243 415 L C 0.050 176.939 176.870 0.031 0.000 1.315 415 L CA -0.246 54.609 54.840 0.025 0.000 1.231 415 L CB -0.333 41.727 42.059 0.002 0.000 1.444 415 L HN 0.210 nan 8.230 nan 0.000 0.409 416 D N -0.363 120.071 120.400 0.056 0.000 2.896 416 D HA -0.024 4.615 4.640 -0.000 0.000 0.240 416 D C 1.354 177.680 176.300 0.043 0.000 1.193 416 D CA -0.337 53.695 54.000 0.053 0.000 0.983 416 D CB 0.485 41.333 40.800 0.080 0.000 1.074 416 D HN 0.378 nan 8.370 nan 0.000 0.496 417 T N -2.018 112.544 114.554 0.013 0.000 2.821 417 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 417 T C -0.811 173.876 174.700 -0.022 0.000 1.046 417 T CA 0.555 62.646 62.100 -0.015 0.000 1.139 417 T CB -1.142 67.701 68.868 -0.042 0.000 0.871 417 T HN 0.129 nan 8.240 nan 0.000 0.454 418 P HA -0.038 nan 4.420 nan 0.000 0.218 418 P C 1.623 178.923 177.300 -0.000 0.000 1.148 418 P CA 1.063 64.153 63.100 -0.016 0.000 0.822 418 P CB -0.123 31.556 31.700 -0.034 0.000 0.784 419 R N -0.116 120.381 120.500 -0.004 0.000 2.075 419 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 419 R C 2.182 178.525 176.300 0.072 0.000 1.126 419 R CA 1.159 57.262 56.100 0.005 0.000 0.963 419 R CB -0.700 29.635 30.300 0.059 0.000 0.858 419 R HN 0.117 nan 8.270 nan 0.000 0.435 420 I N 1.092 121.672 120.570 0.017 0.000 2.179 420 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 420 I C 2.150 178.182 176.117 -0.143 0.000 1.088 420 I CA 1.695 62.886 61.300 -0.182 0.000 1.357 420 I CB -0.557 37.282 38.000 -0.267 0.000 1.051 420 I HN 0.320 nan 8.210 nan 0.000 0.409 421 D N 0.563 120.936 120.400 -0.046 0.000 2.106 421 D HA -0.315 4.324 4.640 -0.000 0.000 0.191 421 D C 2.198 178.551 176.300 0.088 0.000 0.997 421 D CA 1.782 55.781 54.000 -0.002 0.000 0.834 421 D CB -0.355 40.441 40.800 -0.007 0.000 0.956 421 D HN 0.352 nan 8.370 nan 0.000 0.448 422 Y N -0.487 119.797 120.300 -0.027 0.000 2.097 422 Y HA -0.290 4.259 4.550 -0.000 0.000 0.282 422 Y C 2.069 178.004 175.900 0.060 0.000 1.152 422 Y CA 2.047 60.143 58.100 -0.006 0.000 1.136 422 Y CB -0.674 37.651 38.460 -0.224 0.000 0.975 422 Y HN 0.073 nan 8.280 nan 0.000 0.498 423 Y N -1.898 118.588 120.300 0.310 0.000 2.200 423 Y HA -0.251 4.299 4.550 -0.000 0.000 0.290 423 Y C 2.389 178.387 175.900 0.164 0.000 1.137 423 Y CA 1.632 59.868 58.100 0.227 0.000 1.163 423 Y CB -1.343 37.201 38.460 0.140 0.000 0.988 423 Y HN 0.232 nan 8.280 nan 0.000 0.518 424 Y N 0.895 121.237 120.300 0.069 0.000 2.097 424 Y HA -0.292 4.258 4.550 -0.000 0.000 0.282 424 Y C 2.463 178.410 175.900 0.078 0.000 1.152 424 Y CA 1.852 59.974 58.100 0.036 0.000 1.136 424 Y CB -0.252 38.121 38.460 -0.145 0.000 0.975 424 Y HN -0.028 nan 8.280 nan 0.000 0.498 425 R N -1.660 119.004 120.500 0.272 0.000 2.090 425 R HA -0.133 4.207 4.340 -0.000 0.000 0.228 425 R C 1.927 178.346 176.300 0.198 0.000 1.110 425 R CA 1.518 57.726 56.100 0.180 0.000 0.973 425 R CB -0.562 29.780 30.300 0.069 0.000 0.869 425 R HN 0.465 nan 8.270 nan 0.000 0.440 426 H N 0.619 119.770 119.070 0.134 0.000 2.357 426 H HA -0.022 4.534 4.556 -0.000 0.000 0.301 426 H C 2.044 177.507 175.328 0.225 0.000 1.082 426 H CA 1.321 57.470 56.048 0.169 0.000 1.342 426 H CB -0.069 29.758 29.762 0.108 0.000 1.389 426 H HN 0.033 nan 8.280 nan 0.000 0.511 427 L N -0.581 120.815 121.223 0.288 0.000 2.083 427 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 427 L C 2.180 179.183 176.870 0.221 0.000 1.083 427 L CA 1.248 56.221 54.840 0.222 0.000 0.752 427 L CB -0.406 41.744 42.059 0.152 0.000 0.899 427 L HN 0.350 nan 8.230 nan 0.000 0.433 428 Y N -0.356 119.960 120.300 0.028 0.000 2.145 428 Y HA -0.323 4.227 4.550 -0.000 0.000 0.286 428 Y C 2.371 178.181 175.900 -0.150 0.000 1.145 428 Y CA 1.627 59.657 58.100 -0.117 0.000 1.148 428 Y CB -0.488 37.809 38.460 -0.272 0.000 0.981 428 Y HN 0.034 nan 8.280 nan 0.000 0.507 429 Y N -0.770 119.469 120.300 -0.102 0.000 2.293 429 Y HA -0.174 4.376 4.550 -0.000 0.000 0.291 429 Y C 2.540 178.335 175.900 -0.175 0.000 1.137 429 Y CA 1.435 59.416 58.100 -0.198 0.000 1.202 429 Y CB -0.686 37.709 38.460 -0.107 0.000 0.990 429 Y HN 0.019 nan 8.280 nan 0.000 0.537 430 V N -0.119 119.846 119.914 0.085 0.000 2.295 430 V HA -0.309 3.810 4.120 -0.000 0.000 0.246 430 V C 2.325 178.395 176.094 -0.039 0.000 1.049 430 V CA 1.681 64.052 62.300 0.118 0.000 1.024 430 V CB -0.754 31.239 31.823 0.284 0.000 0.648 430 V HN 0.380 nan 8.190 nan 0.000 0.447 431 L N 0.503 121.606 121.223 -0.200 0.000 2.079 431 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 431 L C 2.806 179.438 176.870 -0.398 0.000 1.081 431 L CA 2.228 56.811 54.840 -0.429 0.000 0.752 431 L CB -0.861 40.850 42.059 -0.580 0.000 0.896 431 L HN 0.643 nan 8.230 nan 0.000 0.433 432 T N -3.306 110.967 114.554 -0.468 0.000 2.904 432 T HA -0.066 4.284 4.350 -0.000 0.000 0.267 432 T C 1.878 176.375 174.700 -0.339 0.000 1.059 432 T CA 0.821 62.621 62.100 -0.501 0.000 1.137 432 T CB -0.221 68.207 68.868 -0.732 0.000 0.879 432 T HN 0.298 nan 8.240 nan 0.000 0.467 433 A N 1.573 124.269 122.820 -0.207 0.000 1.898 433 A HA 0.164 4.484 4.320 -0.000 0.000 0.216 433 A C 2.371 179.901 177.584 -0.089 0.000 1.181 433 A CA 1.275 53.244 52.037 -0.114 0.000 0.620 433 A CB -0.815 18.165 19.000 -0.034 0.000 0.819 433 A HN 0.587 nan 8.150 nan 0.000 0.442 434 I N -0.181 120.334 120.570 -0.091 0.000 2.226 434 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 434 I C 2.672 178.725 176.117 -0.107 0.000 1.100 434 I CA 1.125 62.382 61.300 -0.072 0.000 1.374 434 I CB -0.573 37.378 38.000 -0.081 0.000 1.057 434 I HN 0.395 nan 8.210 nan 0.000 0.413 435 G N 0.170 108.870 108.800 -0.167 0.000 2.422 435 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 435 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 435 G C 1.080 175.898 174.900 -0.137 0.000 1.146 435 G CA 0.837 45.835 45.100 -0.170 0.000 0.769 435 G HN 0.300 nan 8.290 nan 0.000 0.547 436 D N 0.157 120.474 120.400 -0.138 0.000 2.325 436 D HA 0.259 4.899 4.640 -0.000 0.000 0.225 436 D C 1.796 178.064 176.300 -0.053 0.000 1.096 436 D CA 0.731 54.670 54.000 -0.101 0.000 0.844 436 D CB -0.014 40.711 40.800 -0.125 0.000 0.925 436 D HN 0.384 nan 8.370 nan 0.000 0.513 437 G N 0.037 108.811 108.800 -0.042 0.000 2.157 437 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.239 437 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.239 437 G C 0.392 175.298 174.900 0.010 0.000 0.982 437 G CA 0.059 45.151 45.100 -0.014 0.000 0.650 437 G HN 0.267 nan 8.290 nan 0.000 0.527 438 V N 0.829 120.752 119.914 0.015 0.000 2.614 438 V HA 0.352 4.472 4.120 -0.000 0.000 0.291 438 V C 0.909 177.038 176.094 0.059 0.000 1.049 438 V CA -0.264 62.066 62.300 0.050 0.000 1.038 438 V CB 1.547 33.408 31.823 0.063 0.000 0.980 438 V HN 0.314 nan 8.190 nan 0.000 0.481 439 N N 4.024 122.766 118.700 0.070 0.000 3.124 439 N HA 0.159 4.899 4.740 -0.000 0.000 0.284 439 N C -0.659 174.882 175.510 0.052 0.000 1.209 439 N CA -0.020 53.065 53.050 0.059 0.000 1.149 439 N CB 0.073 38.594 38.487 0.056 0.000 1.434 439 N HN 0.487 nan 8.380 nan 0.000 0.529 440 V N 3.218 123.187 119.914 0.092 0.000 2.432 440 V HA 0.250 4.369 4.120 -0.000 0.000 0.275 440 V C 1.184 177.306 176.094 0.047 0.000 1.043 440 V CA -0.315 62.053 62.300 0.114 0.000 0.925 440 V CB 1.575 33.561 31.823 0.272 0.000 0.985 440 V HN 0.361 nan 8.190 nan 0.000 0.466 441 K N 2.753 122.938 120.400 -0.359 0.000 2.391 441 K HA 0.369 4.689 4.320 -0.000 0.000 0.197 441 K C 0.570 176.513 176.600 -1.095 0.000 1.087 441 K CA 0.502 56.407 56.287 -0.638 0.000 1.012 441 K CB 1.722 33.710 32.500 -0.852 0.000 0.925 441 K HN 0.836 nan 8.250 nan 0.000 0.547 442 G N 0.137 108.310 108.800 -1.045 0.000 2.623 442 G HA2 0.441 4.400 3.960 -0.000 0.000 0.290 442 G HA3 0.441 4.400 3.960 -0.000 0.000 0.290 442 G C -2.294 172.371 174.900 -0.391 0.000 1.437 442 G CA -0.508 43.988 45.100 -1.007 0.000 0.798 442 G HN -0.002 nan 8.290 nan 0.000 0.488 443 Y N -0.133 119.878 120.300 -0.482 0.000 2.401 443 Y HA 0.709 5.259 4.550 -0.000 0.000 0.330 443 Y C -2.006 173.821 175.900 -0.121 0.000 1.071 443 Y CA -1.482 56.601 58.100 -0.028 0.000 1.049 443 Y CB 1.705 40.270 38.460 0.176 0.000 1.239 443 Y HN 0.439 nan 8.280 nan 0.000 0.437 444 F N 4.899 124.683 119.950 -0.276 0.000 2.477 444 F HA 0.751 5.278 4.527 -0.000 0.000 0.335 444 F C 0.222 175.891 175.800 -0.218 0.000 1.130 444 F CA -0.795 57.117 58.000 -0.146 0.000 0.948 444 F CB 1.709 40.644 39.000 -0.109 0.000 1.154 444 F HN 0.673 nan 8.300 nan 0.000 0.439 445 A N 3.964 126.828 122.820 0.073 0.000 2.363 445 A HA 0.279 4.599 4.320 -0.000 0.000 0.270 445 A C -1.049 176.675 177.584 0.233 0.000 1.121 445 A CA -0.434 51.668 52.037 0.108 0.000 0.800 445 A CB 0.431 19.355 19.000 -0.127 0.000 1.052 445 A HN 0.870 nan 8.150 nan 0.000 0.493 446 W N 4.030 125.445 121.300 0.191 0.000 2.278 446 W HA 0.508 5.168 4.660 -0.000 0.000 0.317 446 W C -0.449 176.257 176.519 0.310 0.000 1.030 446 W CA -0.124 57.340 57.345 0.199 0.000 1.334 446 W CB 1.418 30.987 29.460 0.180 0.000 1.215 446 W HN 0.911 nan 8.180 nan 0.000 0.405 447 S N 3.886 119.547 115.700 -0.065 0.000 2.732 447 S HA 0.400 4.870 4.470 -0.000 0.000 0.293 447 S C -0.027 174.484 174.600 -0.148 0.000 1.159 447 S CA -0.817 57.137 58.200 -0.410 0.000 0.847 447 S CB 2.008 64.613 63.200 -0.992 0.000 1.169 447 S HN 0.397 nan 8.310 nan 0.000 0.501 448 L N -0.131 120.992 121.223 -0.167 0.000 2.072 448 L HA 0.457 4.797 4.340 -0.000 0.000 0.205 448 L C -0.474 176.051 176.870 -0.576 0.000 1.079 448 L CA 1.541 56.134 54.840 -0.412 0.000 0.752 448 L CB -0.641 41.029 42.059 -0.648 0.000 0.906 448 L HN 0.669 nan 8.230 nan 0.000 0.436 449 F N -0.506 119.447 119.950 0.005 0.000 2.538 449 F HA 0.381 4.907 4.527 -0.000 0.000 0.325 449 F C 0.379 176.158 175.800 -0.035 0.000 1.066 449 F CA -1.542 56.397 58.000 -0.102 0.000 0.946 449 F CB 0.333 39.130 39.000 -0.337 0.000 1.199 449 F HN -0.249 nan 8.300 nan 0.000 0.473 450 D N 1.358 121.859 120.400 0.168 0.000 2.423 450 D HA 0.235 4.874 4.640 -0.000 0.000 0.238 450 D C -0.371 176.082 176.300 0.256 0.000 1.142 450 D CA 0.539 54.658 54.000 0.197 0.000 0.884 450 D CB 0.554 41.426 40.800 0.121 0.000 1.199 450 D HN 0.749 nan 8.370 nan 0.000 0.438 451 N N -0.711 118.171 118.700 0.304 0.000 3.277 451 N HA 0.208 4.948 4.740 -0.000 0.000 0.278 451 N C -1.139 174.334 175.510 -0.062 0.000 1.544 451 N CA -0.857 52.329 53.050 0.226 0.000 0.869 451 N CB 0.848 39.452 38.487 0.196 0.000 1.584 451 N HN 0.276 nan 8.380 nan 0.000 0.564 452 M N 0.673 120.007 119.600 -0.443 0.000 2.227 452 M HA 0.132 4.612 4.480 -0.000 0.000 0.349 452 M C -0.407 175.563 176.300 -0.550 0.000 1.443 452 M CA 0.091 54.821 55.300 -0.949 0.000 1.110 452 M CB 0.311 32.266 32.600 -1.075 0.000 1.773 452 M HN 0.695 nan 8.290 nan 0.000 0.463 453 E N 5.863 125.871 120.200 -0.320 0.000 2.201 453 E HA 0.173 4.523 4.350 -0.000 0.000 0.272 453 E C -0.862 175.762 176.600 0.040 0.000 1.228 453 E CA 0.146 56.493 56.400 -0.088 0.000 1.305 453 E CB -0.282 29.559 29.700 0.234 0.000 1.381 453 E HN 0.732 nan 8.360 nan 0.000 0.475 454 W N 0.946 122.224 121.300 -0.036 0.000 2.338 454 W HA -0.477 4.183 4.660 -0.000 0.000 0.294 454 W C 1.809 178.478 176.519 0.250 0.000 1.426 454 W CA 1.570 58.866 57.345 -0.082 0.000 1.387 454 W CB -1.281 28.053 29.460 -0.210 0.000 0.897 454 W HN 0.530 nan 8.180 nan 0.000 0.509 455 D N 0.021 120.864 120.400 0.738 0.000 2.350 455 D HA -0.065 4.575 4.640 -0.000 0.000 0.216 455 D C 1.525 178.057 176.300 0.386 0.000 0.968 455 D CA 1.675 56.035 54.000 0.601 0.000 0.894 455 D CB -0.701 40.493 40.800 0.656 0.000 0.909 455 D HN 0.209 nan 8.370 nan 0.000 0.520 456 S N -0.342 115.565 115.700 0.345 0.000 2.527 456 S HA 0.306 4.776 4.470 -0.000 0.000 0.222 456 S C 1.468 176.176 174.600 0.179 0.000 0.985 456 S CA 0.432 58.790 58.200 0.264 0.000 0.921 456 S CB 0.036 63.412 63.200 0.293 0.000 0.772 456 S HN 0.767 nan 8.310 nan 0.000 0.529 457 G N 1.408 110.278 108.800 0.116 0.000 2.574 457 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.286 457 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.286 457 G C -0.039 174.741 174.900 -0.201 0.000 1.212 457 G CA 0.538 45.630 45.100 -0.013 0.000 0.979 457 G HN 0.473 nan 8.290 nan 0.000 0.557 458 Y N 1.801 122.079 120.300 -0.037 0.000 2.683 458 Y HA 0.364 4.914 4.550 -0.000 0.000 0.297 458 Y C 2.597 178.492 175.900 -0.008 0.000 1.147 458 Y CA 0.935 58.967 58.100 -0.113 0.000 1.274 458 Y CB 0.027 38.253 38.460 -0.390 0.000 1.143 458 Y HN 0.689 nan 8.280 nan 0.000 0.527 459 T N -2.746 111.911 114.554 0.173 0.000 3.085 459 T HA 0.104 4.454 4.350 -0.000 0.000 0.263 459 T C 0.527 175.380 174.700 0.254 0.000 1.127 459 T CA 0.607 62.831 62.100 0.207 0.000 1.103 459 T CB -0.736 68.259 68.868 0.211 0.000 0.921 459 T HN 0.061 nan 8.240 nan 0.000 0.510 460 V N -1.967 118.061 119.914 0.190 0.000 2.962 460 V HA 0.768 4.888 4.120 -0.000 0.000 0.313 460 V C -1.193 174.980 176.094 0.131 0.000 1.099 460 V CA -1.755 60.609 62.300 0.107 0.000 0.971 460 V CB 2.118 33.954 31.823 0.022 0.000 1.028 460 V HN 0.159 nan 8.190 nan 0.000 0.430 461 R N 2.246 122.783 120.500 0.061 0.000 2.476 461 R HA 0.566 4.906 4.340 -0.000 0.000 0.305 461 R C -0.997 175.331 176.300 0.045 0.000 0.965 461 R CA -0.386 55.789 56.100 0.125 0.000 0.867 461 R CB 1.904 32.285 30.300 0.134 0.000 1.176 461 R HN 0.821 nan 8.270 nan 0.000 0.447 462 F N 0.274 120.315 119.950 0.151 0.000 2.704 462 F HA 0.250 4.776 4.527 -0.000 0.000 0.304 462 F C 1.546 177.428 175.800 0.136 0.000 1.094 462 F CA -0.194 57.914 58.000 0.180 0.000 1.275 462 F CB 1.003 40.234 39.000 0.384 0.000 1.073 462 F HN 0.619 nan 8.300 nan 0.000 0.586 463 G N -0.020 108.932 108.800 0.252 0.000 2.537 463 G HA2 0.339 4.299 3.960 -0.000 0.000 0.273 463 G HA3 0.339 4.299 3.960 -0.000 0.000 0.273 463 G C 0.741 175.719 174.900 0.129 0.000 1.189 463 G CA -0.440 44.751 45.100 0.151 0.000 0.881 463 G HN 0.180 nan 8.290 nan 0.000 0.535 464 L N -0.201 121.056 121.223 0.058 0.000 2.375 464 L HA 0.148 4.487 4.340 -0.000 0.000 0.215 464 L C 0.202 177.091 176.870 0.031 0.000 1.108 464 L CA 0.351 55.222 54.840 0.051 0.000 0.830 464 L CB 0.067 42.124 42.059 -0.003 0.000 0.959 464 L HN 0.114 nan 8.230 nan 0.000 0.457 465 V N -0.182 119.733 119.914 0.002 0.000 2.444 465 V HA 0.233 4.353 4.120 -0.000 0.000 0.294 465 V C -0.496 175.718 176.094 0.200 0.000 1.022 465 V CA -0.774 61.572 62.300 0.077 0.000 0.850 465 V CB 1.830 33.648 31.823 -0.008 0.000 0.992 465 V HN -0.050 nan 8.190 nan 0.000 0.426 466 F N 5.581 125.595 119.950 0.107 0.000 2.443 466 F HA 0.542 5.068 4.527 -0.000 0.000 0.353 466 F C -0.015 175.825 175.800 0.067 0.000 1.101 466 F CA 0.062 58.130 58.000 0.114 0.000 1.226 466 F CB 1.039 40.120 39.000 0.134 0.000 1.140 466 F HN 0.267 nan 8.300 nan 0.000 0.557 467 V N 5.651 125.238 119.914 -0.545 0.000 2.384 467 V HA 0.163 4.283 4.120 -0.000 0.000 0.287 467 V C -0.698 174.868 176.094 -0.880 0.000 1.020 467 V CA -0.874 61.043 62.300 -0.638 0.000 0.850 467 V CB 1.372 32.706 31.823 -0.814 0.000 0.987 467 V HN 0.628 nan 8.190 nan 0.000 0.436 468 D N 3.800 123.999 120.400 -0.334 0.000 2.393 468 D HA 0.241 4.881 4.640 -0.000 0.000 0.232 468 D C 0.603 176.774 176.300 -0.214 0.000 1.192 468 D CA -0.226 53.738 54.000 -0.060 0.000 0.882 468 D CB 0.637 41.625 40.800 0.313 0.000 1.038 468 D HN 0.385 nan 8.370 nan 0.000 0.499 469 F N 2.037 121.939 119.950 -0.081 0.000 2.604 469 F HA 0.043 4.570 4.527 -0.000 0.000 0.298 469 F C 2.081 177.842 175.800 -0.064 0.000 1.131 469 F CA 0.628 58.563 58.000 -0.107 0.000 1.457 469 F CB 0.089 38.982 39.000 -0.178 0.000 1.095 469 F HN 0.261 nan 8.300 nan 0.000 0.574 470 K N -0.495 119.978 120.400 0.121 0.000 2.374 470 K HA 0.057 4.377 4.320 -0.000 0.000 0.196 470 K C 0.375 177.007 176.600 0.055 0.000 1.023 470 K CA 0.158 56.493 56.287 0.081 0.000 1.103 470 K CB 0.117 32.669 32.500 0.087 0.000 0.848 470 K HN 0.110 nan 8.250 nan 0.000 0.528 471 N N 1.411 120.139 118.700 0.047 0.000 2.727 471 N HA 0.038 4.778 4.740 -0.000 0.000 0.252 471 N C -1.024 174.484 175.510 -0.004 0.000 1.283 471 N CA -0.054 53.016 53.050 0.033 0.000 0.782 471 N CB 0.271 38.798 38.487 0.066 0.000 1.199 471 N HN -0.073 nan 8.380 nan 0.000 0.520 472 N N 2.471 121.158 118.700 -0.022 0.000 2.716 472 N HA -0.198 4.542 4.740 -0.000 0.000 0.250 472 N C 0.064 175.516 175.510 -0.096 0.000 1.033 472 N CA 1.006 54.025 53.050 -0.052 0.000 0.727 472 N CB -1.232 37.225 38.487 -0.049 0.000 0.950 472 N HN 0.766 nan 8.380 nan 0.000 0.541 473 L N -2.901 118.243 121.223 -0.131 0.000 3.829 473 L HA -0.310 4.030 4.340 -0.000 0.000 0.440 473 L C 0.719 177.429 176.870 -0.268 0.000 1.192 473 L CA 1.096 55.782 54.840 -0.257 0.000 0.848 473 L CB -1.058 40.862 42.059 -0.231 0.000 1.744 473 L HN 0.229 nan 8.230 nan 0.000 0.920 474 K N 1.147 121.429 120.400 -0.197 0.000 2.448 474 K HA 0.173 4.493 4.320 -0.000 0.000 0.278 474 K C 0.572 176.975 176.600 -0.328 0.000 1.009 474 K CA 0.012 56.153 56.287 -0.244 0.000 0.995 474 K CB 0.508 32.901 32.500 -0.178 0.000 0.917 474 K HN 0.103 nan 8.250 nan 0.000 0.481 475 R N 2.265 122.554 120.500 -0.352 0.000 2.221 475 R HA 0.204 4.543 4.340 -0.000 0.000 0.327 475 R C -0.787 175.342 176.300 -0.285 0.000 1.033 475 R CA -0.234 55.742 56.100 -0.207 0.000 0.887 475 R CB 0.499 30.744 30.300 -0.091 0.000 1.057 475 R HN 0.489 nan 8.270 nan 0.000 0.455 476 H N 2.904 122.073 119.070 0.166 0.000 2.991 476 H HA 0.287 4.843 4.556 -0.000 0.000 0.304 476 H C -2.304 173.114 175.328 0.150 0.000 1.040 476 H CA -2.180 53.960 56.048 0.153 0.000 1.410 476 H CB 1.288 31.140 29.762 0.150 0.000 1.529 476 H HN 0.400 nan 8.280 nan 0.000 0.509 477 P HA -0.023 nan 4.420 nan 0.000 0.264 477 P C -0.176 177.178 177.300 0.090 0.000 1.193 477 P CA 0.069 63.194 63.100 0.041 0.000 0.763 477 P CB 0.924 32.532 31.700 -0.152 0.000 0.810 478 K N 1.976 122.432 120.400 0.093 0.000 2.117 478 K HA 0.177 4.497 4.320 -0.000 0.000 0.240 478 K C 1.212 177.921 176.600 0.182 0.000 1.031 478 K CA -0.787 55.586 56.287 0.144 0.000 0.909 478 K CB 0.139 32.733 32.500 0.156 0.000 1.097 478 K HN 0.195 nan 8.250 nan 0.000 0.492 479 L N 1.631 122.995 121.223 0.235 0.000 2.079 479 L HA -0.231 4.108 4.340 -0.000 0.000 0.210 479 L C 2.232 179.306 176.870 0.340 0.000 1.081 479 L CA 2.031 57.063 54.840 0.320 0.000 0.752 479 L CB -0.659 41.520 42.059 0.201 0.000 0.896 479 L HN 0.836 nan 8.230 nan 0.000 0.433 480 S N -0.844 115.024 115.700 0.279 0.000 2.400 480 S HA -0.161 4.309 4.470 -0.000 0.000 0.232 480 S C 2.094 176.896 174.600 0.336 0.000 1.025 480 S CA 0.871 59.283 58.200 0.354 0.000 0.993 480 S CB -0.933 62.436 63.200 0.282 0.000 0.808 480 S HN 0.512 nan 8.310 nan 0.000 0.478 481 A N 1.918 124.830 122.820 0.154 0.000 1.898 481 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 481 A C 1.919 179.515 177.584 0.021 0.000 1.181 481 A CA 1.526 53.579 52.037 0.027 0.000 0.620 481 A CB -1.102 17.814 19.000 -0.140 0.000 0.819 481 A HN 0.728 nan 8.150 nan 0.000 0.442 482 H N -2.872 116.304 119.070 0.176 0.000 2.357 482 H HA -0.156 4.400 4.556 -0.000 0.000 0.301 482 H C 1.768 177.207 175.328 0.185 0.000 1.082 482 H CA 1.831 57.967 56.048 0.147 0.000 1.342 482 H CB -0.250 29.598 29.762 0.144 0.000 1.389 482 H HN 0.782 nan 8.280 nan 0.000 0.511 483 W N 0.812 122.274 121.300 0.272 0.000 2.355 483 W HA -0.232 4.428 4.660 -0.000 0.000 0.309 483 W C 1.857 178.541 176.519 0.276 0.000 1.206 483 W CA 1.084 58.596 57.345 0.278 0.000 1.284 483 W CB -0.597 29.047 29.460 0.308 0.000 1.145 483 W HN 0.082 nan 8.180 nan 0.000 0.502 484 F N 1.884 121.688 119.950 -0.244 0.000 2.186 484 F HA -0.092 4.435 4.527 -0.000 0.000 0.299 484 F C 2.527 178.104 175.800 -0.371 0.000 1.090 484 F CA 2.181 59.849 58.000 -0.553 0.000 1.307 484 F CB -0.976 37.831 39.000 -0.323 0.000 1.019 484 F HN -0.072 nan 8.300 nan 0.000 0.489 485 K N 0.069 120.354 120.400 -0.191 0.000 2.063 485 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 485 K C 2.346 178.822 176.600 -0.206 0.000 1.048 485 K CA 1.923 58.086 56.287 -0.207 0.000 0.928 485 K CB -0.363 32.090 32.500 -0.077 0.000 0.713 485 K HN 0.369 nan 8.250 nan 0.000 0.442 486 S N 0.043 115.648 115.700 -0.160 0.000 2.383 486 S HA -0.170 4.300 4.470 -0.000 0.000 0.227 486 S C 1.922 176.389 174.600 -0.221 0.000 1.026 486 S CA 0.821 58.940 58.200 -0.136 0.000 0.981 486 S CB -0.684 62.497 63.200 -0.031 0.000 0.818 486 S HN 0.458 nan 8.310 nan 0.000 0.472 487 F N 2.412 122.023 119.950 -0.566 0.000 2.134 487 F HA 0.171 4.698 4.527 -0.000 0.000 0.299 487 F C 1.620 177.089 175.800 -0.551 0.000 1.097 487 F CA 1.267 58.894 58.000 -0.622 0.000 1.264 487 F CB -0.241 38.203 39.000 -0.926 0.000 1.001 487 F HN 0.161 nan 8.300 nan 0.000 0.479 488 L N 0.361 121.329 121.223 -0.425 0.000 2.612 488 L HA 0.061 4.400 4.340 -0.000 0.000 0.230 488 L C 1.313 177.999 176.870 -0.307 0.000 1.140 488 L CA 0.209 54.779 54.840 -0.450 0.000 0.896 488 L CB -0.500 41.229 42.059 -0.551 0.000 1.065 488 L HN -0.050 nan 8.230 nan 0.000 0.447 489 K N 1.450 121.698 120.400 -0.254 0.000 2.911 489 K HA 0.121 4.441 4.320 -0.000 0.000 0.239 489 K C -0.101 176.417 176.600 -0.137 0.000 1.090 489 K CA 0.142 56.327 56.287 -0.169 0.000 1.225 489 K CB 0.106 32.528 32.500 -0.130 0.000 1.087 489 K HN 0.172 nan 8.250 nan 0.000 0.464 490 K N 0.000 120.315 120.400 -0.142 0.000 2.780 490 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 490 K CA 0.000 56.225 56.287 -0.103 0.000 0.838 490 K CB 0.000 32.441 32.500 -0.098 0.000 1.064 490 K HN 0.000 nan 8.250 nan 0.000 0.543