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 1bgy_1_B DATA FIRST_RESID 21 DATA SEQUENCE PQDLEFTRLP NGLVIASLEN YAPASRIGLF IKAGSRYENS NNLGTSHLLR DATA SEQUENCE LASSLTTKGA SSFKITRGIE AVGGKLSVTS TRENMAYTVE CLRDDVDILM DATA SEQUENCE EFLLNVTTAP EFRRWEVAAL QPQLRIDKAV ALQNPQAHVI ENLHAAAYRN DATA SEQUENCE ALANSLYCPD YRIGKVTPVE LHDYVQNHFT SARMALIGLG VSHPVLKQVA DATA SEQUENCE EQFLNIRGGL GLSGAKAKYH GGEIREQNGD SLVHAALVAE SAAIGSAEAN DATA SEQUENCE AFSVLQHVLG AGPHVKRGSN ATSSLYQAVA KGVHQPFDVS AFNASYSDSG DATA SEQUENCE LFGFYTISQA ASAGDVIKAA YNQVKTIAQG NLSNPDVQAA KNKLKAGYLM DATA SEQUENCE SVESSEGFLD EVGSQALAAG SYTPPSTVLQ QIDAVADADV INAAKKFVSG DATA SEQUENCE RKSMAASGNL GHTPFIDEL 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 21 P HA 0.000 nan 4.420 nan 0.000 0.216 21 P C 0.000 177.314 177.300 0.023 0.000 1.155 21 P CA 0.000 63.112 63.100 0.020 0.000 0.800 21 P CB 0.000 31.712 31.700 0.020 0.000 0.726 22 Q N 1.939 121.754 119.800 0.024 0.000 2.256 22 Q HA 0.293 4.633 4.340 -0.000 0.000 0.254 22 Q C -0.323 175.699 176.000 0.037 0.000 0.916 22 Q CA 0.266 56.085 55.803 0.027 0.000 0.932 22 Q CB 1.333 30.086 28.738 0.025 0.000 1.207 22 Q HN 0.352 nan 8.270 nan 0.000 0.426 23 D N 1.432 121.862 120.400 0.050 0.000 2.423 23 D HA 0.250 4.890 4.640 -0.000 0.000 0.255 23 D C 0.553 176.905 176.300 0.087 0.000 1.174 23 D CA -0.582 53.469 54.000 0.085 0.000 1.008 23 D CB 0.689 41.555 40.800 0.111 0.000 1.101 23 D HN 0.148 nan 8.370 nan 0.000 0.516 24 L N -0.254 121.052 121.223 0.138 0.000 2.435 24 L HA 0.125 4.465 4.340 -0.000 0.000 0.258 24 L C 0.774 177.675 176.870 0.051 0.000 1.257 24 L CA 0.630 55.539 54.840 0.115 0.000 0.823 24 L CB -0.580 41.565 42.059 0.143 0.000 1.111 24 L HN 0.511 nan 8.230 nan 0.000 0.543 25 E N -0.207 120.022 120.200 0.047 0.000 2.759 25 E HA 0.295 4.645 4.350 -0.000 0.000 0.318 25 E C -1.305 175.335 176.600 0.067 0.000 1.093 25 E CA -0.410 55.996 56.400 0.010 0.000 0.762 25 E CB 0.480 30.344 29.700 0.273 0.000 1.543 25 E HN 0.347 nan 8.360 nan 0.000 0.381 26 F N 0.466 120.516 119.950 0.167 0.000 2.403 26 F HA 0.706 5.233 4.527 -0.000 0.000 0.320 26 F C 0.184 176.098 175.800 0.190 0.000 1.176 26 F CA -0.434 57.644 58.000 0.131 0.000 1.206 26 F CB 0.914 39.970 39.000 0.093 0.000 1.235 26 F HN -0.014 nan 8.300 nan 0.000 0.565 27 T N 1.079 115.876 114.554 0.405 0.000 4.111 27 T HA 0.236 4.585 4.350 -0.000 0.000 0.346 27 T C -0.880 173.942 174.700 0.204 0.000 0.893 27 T CA -0.738 61.536 62.100 0.290 0.000 1.011 27 T CB 0.701 69.743 68.868 0.291 0.000 1.094 27 T HN 0.794 nan 8.240 nan 0.000 0.467 28 R N 3.526 124.127 120.500 0.167 0.000 2.340 28 R HA 0.606 4.946 4.340 -0.000 0.000 0.300 28 R C 0.051 176.401 176.300 0.084 0.000 1.069 28 R CA -0.372 55.789 56.100 0.103 0.000 0.984 28 R CB 0.389 30.734 30.300 0.075 0.000 1.003 28 R HN 0.525 nan 8.270 nan 0.000 0.459 29 L N 5.797 127.060 121.223 0.068 0.000 2.569 29 L HA 0.368 4.708 4.340 -0.000 0.000 0.247 29 L C -1.202 175.691 176.870 0.039 0.000 1.135 29 L CA -2.194 52.679 54.840 0.054 0.000 0.812 29 L CB 0.617 42.707 42.059 0.051 0.000 1.431 29 L HN 0.608 nan 8.230 nan 0.000 0.499 30 P HA -0.096 nan 4.420 nan 0.000 0.216 30 P C 0.802 178.113 177.300 0.018 0.000 1.150 30 P CA 1.439 64.552 63.100 0.021 0.000 0.837 30 P CB 0.059 31.769 31.700 0.016 0.000 0.786 31 N N -1.359 117.353 118.700 0.020 0.000 2.188 31 N HA -0.007 4.733 4.740 -0.000 0.000 0.184 31 N C 1.193 176.713 175.510 0.016 0.000 1.018 31 N CA 1.171 54.230 53.050 0.015 0.000 0.858 31 N CB -0.283 38.214 38.487 0.017 0.000 0.989 31 N HN 0.184 nan 8.380 nan 0.000 0.426 32 G N 0.495 109.308 108.800 0.022 0.000 2.154 32 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.186 32 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.186 32 G C -0.105 174.808 174.900 0.022 0.000 1.000 32 G CA 0.002 45.114 45.100 0.021 0.000 0.664 32 G HN 0.303 nan 8.290 nan 0.000 0.513 33 L N -0.762 120.479 121.223 0.029 0.000 2.312 33 L HA 0.919 5.259 4.340 -0.000 0.000 0.281 33 L C 0.204 177.101 176.870 0.046 0.000 1.070 33 L CA -1.260 53.599 54.840 0.032 0.000 0.805 33 L CB 1.675 43.753 42.059 0.032 0.000 1.174 33 L HN -0.112 nan 8.230 nan 0.000 0.434 34 V N 5.224 125.161 119.914 0.039 0.000 2.607 34 V HA 0.478 4.598 4.120 -0.000 0.000 0.289 34 V C 0.276 176.401 176.094 0.050 0.000 1.053 34 V CA -0.288 62.042 62.300 0.050 0.000 0.996 34 V CB 1.470 33.301 31.823 0.012 0.000 0.995 34 V HN 0.815 nan 8.190 nan 0.000 0.476 35 I N 2.201 122.806 120.570 0.059 0.000 2.692 35 I HA 0.931 5.101 4.170 -0.000 0.000 0.293 35 I C -0.688 175.358 176.117 -0.119 0.000 1.200 35 I CA -0.533 60.752 61.300 -0.025 0.000 1.036 35 I CB 2.040 40.014 38.000 -0.043 0.000 1.258 35 I HN 0.666 nan 8.210 nan 0.000 0.421 36 A N 4.007 126.733 122.820 -0.157 0.000 2.485 36 A HA 0.952 5.272 4.320 -0.000 0.000 0.292 36 A C -0.771 176.699 177.584 -0.191 0.000 1.147 36 A CA -0.274 51.671 52.037 -0.152 0.000 0.750 36 A CB 1.879 20.877 19.000 -0.004 0.000 1.331 36 A HN 1.235 nan 8.150 nan 0.000 0.419 37 S N -0.611 115.029 115.700 -0.099 0.000 2.556 37 S HA 0.592 5.062 4.470 -0.000 0.000 0.280 37 S C -2.171 172.446 174.600 0.029 0.000 1.141 37 S CA -0.411 57.767 58.200 -0.036 0.000 0.883 37 S CB 0.842 64.014 63.200 -0.045 0.000 1.103 37 S HN 1.020 nan 8.310 nan 0.000 0.453 38 L N 3.081 124.316 121.223 0.020 0.000 2.490 38 L HA 0.462 4.802 4.340 -0.000 0.000 0.256 38 L C -0.037 176.823 176.870 -0.017 0.000 1.089 38 L CA -0.094 54.748 54.840 0.004 0.000 0.916 38 L CB 1.514 43.545 42.059 -0.046 0.000 1.188 38 L HN 0.859 nan 8.230 nan 0.000 0.476 39 E N 2.317 122.519 120.200 0.004 0.000 2.562 39 E HA -0.086 4.264 4.350 -0.000 0.000 0.241 39 E C 0.085 176.678 176.600 -0.013 0.000 1.136 39 E CA 0.081 56.479 56.400 -0.004 0.000 0.952 39 E CB 0.278 29.985 29.700 0.011 0.000 0.975 39 E HN 0.416 nan 8.360 nan 0.000 0.494 40 N N 2.709 121.380 118.700 -0.049 0.000 2.364 40 N HA -0.030 4.710 4.740 -0.000 0.000 0.264 40 N C 0.623 176.121 175.510 -0.020 0.000 1.263 40 N CA -0.104 52.910 53.050 -0.060 0.000 0.959 40 N CB 0.413 38.793 38.487 -0.178 0.000 1.204 40 N HN 0.437 nan 8.380 nan 0.000 0.550 41 Y N -0.084 120.187 120.300 -0.049 0.000 2.176 41 Y HA 0.436 4.986 4.550 -0.000 0.000 0.291 41 Y C 1.032 176.913 175.900 -0.032 0.000 1.122 41 Y CA 0.215 58.293 58.100 -0.035 0.000 1.128 41 Y CB -1.104 37.336 38.460 -0.033 0.000 1.005 41 Y HN 0.363 nan 8.280 nan 0.000 0.509 42 A N 2.765 125.068 122.820 -0.862 0.000 2.429 42 A HA 0.149 4.469 4.320 -0.000 0.000 0.242 42 A C -1.014 176.411 177.584 -0.264 0.000 1.088 42 A CA -0.458 51.224 52.037 -0.592 0.000 0.784 42 A CB -0.772 17.751 19.000 -0.796 0.000 1.038 42 A HN 0.468 nan 8.150 nan 0.000 0.501 43 P HA -0.023 nan 4.420 nan 0.000 0.226 43 P C 0.238 177.483 177.300 -0.092 0.000 1.146 43 P CA 1.656 64.700 63.100 -0.094 0.000 0.773 43 P CB -0.085 31.579 31.700 -0.060 0.000 0.772 44 A N 0.237 122.986 122.820 -0.119 0.000 2.273 44 A HA 0.514 4.834 4.320 -0.000 0.000 0.315 44 A C 0.208 177.741 177.584 -0.086 0.000 1.256 44 A CA -0.394 51.590 52.037 -0.089 0.000 0.851 44 A CB 0.713 19.662 19.000 -0.084 0.000 1.172 44 A HN 0.122 nan 8.150 nan 0.000 0.508 45 S N 2.876 118.540 115.700 -0.060 0.000 2.549 45 S HA 0.767 5.237 4.470 -0.000 0.000 0.297 45 S C -0.352 174.228 174.600 -0.033 0.000 1.115 45 S CA -0.770 57.400 58.200 -0.049 0.000 1.059 45 S CB 0.807 63.982 63.200 -0.040 0.000 1.046 45 S HN 0.709 nan 8.310 nan 0.000 0.506 46 R N 3.652 124.139 120.500 -0.021 0.000 2.507 46 R HA 0.496 4.836 4.340 -0.000 0.000 0.298 46 R C -0.627 175.677 176.300 0.005 0.000 1.087 46 R CA -0.569 55.526 56.100 -0.008 0.000 0.917 46 R CB 0.540 30.838 30.300 -0.002 0.000 1.173 46 R HN 0.556 nan 8.270 nan 0.000 0.472 47 I N 1.350 121.918 120.570 -0.002 0.000 2.945 47 I HA 0.449 4.618 4.170 -0.000 0.000 0.292 47 I C 0.731 176.848 176.117 -0.001 0.000 1.093 47 I CA -0.514 60.789 61.300 0.005 0.000 1.336 47 I CB 1.396 39.391 38.000 -0.008 0.000 1.435 47 I HN 0.839 nan 8.210 nan 0.000 0.593 48 G N 4.292 113.098 108.800 0.011 0.000 2.354 48 G HA2 0.418 4.378 3.960 -0.000 0.000 0.285 48 G HA3 0.418 4.378 3.960 -0.000 0.000 0.285 48 G C -1.500 173.365 174.900 -0.058 0.000 1.390 48 G CA -0.451 44.602 45.100 -0.078 0.000 1.231 48 G HN 0.387 nan 8.290 nan 0.000 0.603 49 L N 2.963 124.140 121.223 -0.078 0.000 2.325 49 L HA 0.658 4.997 4.340 -0.000 0.000 0.284 49 L C -0.984 175.849 176.870 -0.062 0.000 1.089 49 L CA -0.716 54.109 54.840 -0.024 0.000 0.836 49 L CB -0.337 41.666 42.059 -0.092 0.000 1.184 49 L HN 0.308 nan 8.230 nan 0.000 0.444 50 F N 6.561 126.495 119.950 -0.026 0.000 2.404 50 F HA 0.387 4.914 4.527 -0.000 0.000 0.359 50 F C 0.245 176.009 175.800 -0.060 0.000 1.134 50 F CA -0.389 57.598 58.000 -0.022 0.000 1.160 50 F CB 0.030 39.022 39.000 -0.014 0.000 1.186 50 F HN 0.292 nan 8.300 nan 0.000 0.526 51 I N 3.029 123.609 120.570 0.017 0.000 2.440 51 I HA 0.207 4.376 4.170 -0.000 0.000 0.294 51 I C 1.259 177.391 176.117 0.025 0.000 0.995 51 I CA -0.505 60.754 61.300 -0.069 0.000 1.306 51 I CB 1.001 38.773 38.000 -0.379 0.000 1.407 51 I HN 0.461 nan 8.210 nan 0.000 0.501 52 K N 3.802 124.211 120.400 0.015 0.000 2.643 52 K HA 0.088 4.408 4.320 -0.000 0.000 0.193 52 K C 0.268 176.820 176.600 -0.079 0.000 1.027 52 K CA -0.009 56.287 56.287 0.015 0.000 1.033 52 K CB -0.126 32.372 32.500 -0.005 0.000 0.827 52 K HN 0.772 nan 8.250 nan 0.000 0.500 53 A N 1.096 123.891 122.820 -0.042 0.000 2.415 53 A HA 0.401 4.721 4.320 -0.000 0.000 0.309 53 A C 0.511 178.232 177.584 0.229 0.000 1.356 53 A CA -0.330 51.641 52.037 -0.110 0.000 0.998 53 A CB 0.458 19.458 19.000 0.001 0.000 1.145 53 A HN 0.309 nan 8.150 nan 0.000 0.545 54 G N 0.537 109.642 108.800 0.510 0.000 2.606 54 G HA2 0.412 4.372 3.960 -0.000 0.000 0.262 54 G HA3 0.412 4.372 3.960 -0.000 0.000 0.262 54 G C 1.111 176.213 174.900 0.337 0.000 1.394 54 G CA 0.366 45.688 45.100 0.370 0.000 1.044 54 G HN 1.008 nan 8.290 nan 0.000 0.553 55 S N -0.956 114.815 115.700 0.118 0.000 2.470 55 S HA -0.116 4.354 4.470 -0.000 0.000 0.225 55 S C 2.028 176.612 174.600 -0.026 0.000 1.006 55 S CA 0.926 59.138 58.200 0.019 0.000 0.934 55 S CB -0.196 62.956 63.200 -0.079 0.000 0.778 55 S HN 0.714 nan 8.310 nan 0.000 0.517 56 R N 0.536 120.970 120.500 -0.109 0.000 2.303 56 R HA -0.037 4.302 4.340 -0.000 0.000 0.225 56 R C 0.705 176.822 176.300 -0.306 0.000 1.114 56 R CA 1.178 57.121 56.100 -0.262 0.000 1.007 56 R CB -1.032 29.015 30.300 -0.421 0.000 0.861 56 R HN 0.491 nan 8.270 nan 0.000 0.471 57 Y N 1.481 121.813 120.300 0.054 0.000 2.470 57 Y HA 0.220 4.769 4.550 -0.000 0.000 0.302 57 Y C -0.274 175.700 175.900 0.124 0.000 1.194 57 Y CA -0.327 57.840 58.100 0.112 0.000 1.271 57 Y CB -0.061 38.444 38.460 0.075 0.000 1.092 57 Y HN 0.236 nan 8.280 nan 0.000 0.513 58 E N -0.765 119.503 120.200 0.114 0.000 2.263 58 E HA 0.288 4.638 4.350 -0.000 0.000 0.264 58 E C -0.624 175.996 176.600 0.034 0.000 0.923 58 E CA -1.077 55.361 56.400 0.063 0.000 0.802 58 E CB 1.299 30.963 29.700 -0.060 0.000 1.228 58 E HN -0.012 nan 8.360 nan 0.000 0.417 59 N N -0.197 118.526 118.700 0.038 0.000 2.681 59 N HA 0.179 4.919 4.740 -0.000 0.000 0.311 59 N C 0.678 176.200 175.510 0.019 0.000 1.303 59 N CA -0.543 52.525 53.050 0.029 0.000 0.926 59 N CB 1.411 39.923 38.487 0.041 0.000 1.136 59 N HN 0.293 nan 8.380 nan 0.000 0.592 60 S N -0.385 115.331 115.700 0.026 0.000 2.383 60 S HA 0.014 4.483 4.470 -0.000 0.000 0.227 60 S C 1.100 175.733 174.600 0.055 0.000 1.026 60 S CA 0.854 59.078 58.200 0.040 0.000 0.981 60 S CB -0.327 62.890 63.200 0.030 0.000 0.818 60 S HN 0.487 nan 8.310 nan 0.000 0.472 61 N N 1.040 119.763 118.700 0.039 0.000 2.463 61 N HA 0.031 4.771 4.740 -0.000 0.000 0.181 61 N C 1.061 176.580 175.510 0.015 0.000 1.078 61 N CA 0.393 53.466 53.050 0.037 0.000 0.902 61 N CB -0.220 38.286 38.487 0.031 0.000 0.970 61 N HN 0.537 nan 8.380 nan 0.000 0.451 62 N N 0.159 118.858 118.700 -0.002 0.000 2.184 62 N HA 0.159 4.898 4.740 -0.000 0.000 0.206 62 N C -0.265 175.183 175.510 -0.103 0.000 1.151 62 N CA -0.171 52.852 53.050 -0.044 0.000 0.878 62 N CB 0.700 39.179 38.487 -0.012 0.000 1.014 62 N HN -0.021 nan 8.380 nan 0.000 0.512 63 L N 0.845 122.023 121.223 -0.075 0.000 2.525 63 L HA 0.029 4.369 4.340 -0.000 0.000 0.278 63 L C 1.349 178.119 176.870 -0.166 0.000 1.218 63 L CA 1.010 55.784 54.840 -0.110 0.000 0.878 63 L CB 0.362 42.384 42.059 -0.062 0.000 1.127 63 L HN 0.370 nan 8.230 nan 0.000 0.492 64 G N 1.923 110.615 108.800 -0.181 0.000 2.157 64 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.248 64 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.248 64 G C 0.712 175.510 174.900 -0.170 0.000 0.979 64 G CA 0.460 45.457 45.100 -0.170 0.000 0.650 64 G HN 0.654 nan 8.290 nan 0.000 0.529 65 T N 0.566 114.950 114.554 -0.284 0.000 3.054 65 T HA 0.107 4.457 4.350 -0.000 0.000 0.259 65 T C 2.622 177.042 174.700 -0.466 0.000 1.092 65 T CA 1.855 63.735 62.100 -0.368 0.000 1.121 65 T CB -0.034 68.539 68.868 -0.493 0.000 0.912 65 T HN 0.975 nan 8.240 nan 0.000 0.489 66 S N 1.311 116.699 115.700 -0.520 0.000 2.368 66 S HA -0.196 4.274 4.470 -0.000 0.000 0.224 66 S C 1.885 176.418 174.600 -0.112 0.000 1.029 66 S CA 1.426 59.430 58.200 -0.326 0.000 0.988 66 S CB -0.687 62.416 63.200 -0.161 0.000 0.838 66 S HN 0.610 nan 8.310 nan 0.000 0.462 67 H N 1.245 120.209 119.070 -0.176 0.000 2.321 67 H HA -0.093 4.463 4.556 -0.000 0.000 0.295 67 H C 2.029 177.316 175.328 -0.067 0.000 1.102 67 H CA 2.125 58.102 56.048 -0.118 0.000 1.266 67 H CB -0.518 29.179 29.762 -0.107 0.000 1.363 67 H HN 0.407 nan 8.280 nan 0.000 0.492 68 L N -0.169 121.063 121.223 0.013 0.000 2.027 68 L HA -0.064 4.275 4.340 -0.000 0.000 0.206 68 L C 2.247 179.115 176.870 -0.004 0.000 1.074 68 L CA 1.538 56.376 54.840 -0.003 0.000 0.745 68 L CB -1.152 40.907 42.059 0.001 0.000 0.898 68 L HN 0.432 nan 8.230 nan 0.000 0.433 69 L N 0.238 121.453 121.223 -0.013 0.000 2.043 69 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 69 L C 2.757 179.714 176.870 0.145 0.000 1.075 69 L CA 2.069 56.977 54.840 0.113 0.000 0.752 69 L CB -0.875 41.240 42.059 0.092 0.000 0.891 69 L HN 0.437 nan 8.230 nan 0.000 0.432 70 R N -0.869 119.636 120.500 0.008 0.000 2.120 70 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 70 R C 1.940 178.189 176.300 -0.086 0.000 1.123 70 R CA 1.462 57.513 56.100 -0.082 0.000 0.975 70 R CB -0.169 30.006 30.300 -0.209 0.000 0.866 70 R HN 0.466 nan 8.270 nan 0.000 0.446 71 L N -0.407 120.761 121.223 -0.091 0.000 2.607 71 L HA 0.186 4.525 4.340 -0.000 0.000 0.228 71 L C 1.288 178.162 176.870 0.005 0.000 1.123 71 L CA 0.133 54.930 54.840 -0.071 0.000 0.890 71 L CB 0.464 42.466 42.059 -0.095 0.000 1.103 71 L HN 0.173 nan 8.230 nan 0.000 0.468 72 A N -0.721 122.142 122.820 0.070 0.000 2.500 72 A HA 0.089 4.409 4.320 -0.000 0.000 0.267 72 A C 1.822 179.445 177.584 0.064 0.000 1.290 72 A CA 0.221 52.315 52.037 0.096 0.000 0.928 72 A CB -0.162 18.977 19.000 0.232 0.000 1.066 72 A HN 0.336 nan 8.150 nan 0.000 0.516 73 S N -0.054 115.692 115.700 0.077 0.000 2.584 73 S HA -0.058 4.411 4.470 -0.000 0.000 0.240 73 S C 0.989 175.582 174.600 -0.011 0.000 0.975 73 S CA 1.095 59.349 58.200 0.090 0.000 0.949 73 S CB -0.367 62.929 63.200 0.160 0.000 0.761 73 S HN 0.488 nan 8.310 nan 0.000 0.536 74 S N 0.476 116.145 115.700 -0.052 0.000 2.730 74 S HA 0.422 4.892 4.470 -0.000 0.000 0.244 74 S C 0.288 174.827 174.600 -0.102 0.000 1.022 74 S CA -0.630 57.511 58.200 -0.097 0.000 1.014 74 S CB 0.112 63.260 63.200 -0.086 0.000 0.963 74 S HN 0.350 nan 8.310 nan 0.000 0.540 75 L N 1.687 122.839 121.223 -0.118 0.000 2.468 75 L HA 0.341 4.681 4.340 -0.000 0.000 0.254 75 L C 0.729 177.505 176.870 -0.156 0.000 1.171 75 L CA -0.431 54.324 54.840 -0.141 0.000 0.809 75 L CB 0.147 42.074 42.059 -0.220 0.000 1.155 75 L HN 0.043 nan 8.230 nan 0.000 0.473 76 T N 0.905 115.382 114.554 -0.128 0.000 2.946 76 T HA 0.209 4.559 4.350 -0.000 0.000 0.311 76 T C 0.251 174.867 174.700 -0.140 0.000 1.063 76 T CA -0.026 62.022 62.100 -0.086 0.000 1.139 76 T CB 0.426 69.281 68.868 -0.022 0.000 0.994 76 T HN 0.791 nan 8.240 nan 0.000 0.547 77 T N 0.369 114.875 114.554 -0.081 0.000 2.742 77 T HA 0.463 4.812 4.350 -0.000 0.000 0.282 77 T C 1.209 175.904 174.700 -0.008 0.000 1.025 77 T CA -1.111 60.944 62.100 -0.075 0.000 1.020 77 T CB 1.439 70.271 68.868 -0.061 0.000 1.317 77 T HN 0.357 nan 8.240 nan 0.000 0.538 78 K N 0.267 120.675 120.400 0.012 0.000 2.103 78 K HA -0.074 4.246 4.320 -0.000 0.000 0.207 78 K C 1.764 178.395 176.600 0.052 0.000 1.048 78 K CA 2.019 58.329 56.287 0.038 0.000 0.930 78 K CB -0.964 31.565 32.500 0.049 0.000 0.716 78 K HN 0.798 nan 8.250 nan 0.000 0.444 79 G N -0.827 108.009 108.800 0.061 0.000 2.848 79 G HA2 0.317 4.277 3.960 -0.000 0.000 0.213 79 G HA3 0.317 4.277 3.960 -0.000 0.000 0.213 79 G C -0.190 174.769 174.900 0.098 0.000 1.101 79 G CA 0.334 45.477 45.100 0.073 0.000 0.778 79 G HN 0.375 nan 8.290 nan 0.000 0.536 80 A N 0.808 123.695 122.820 0.111 0.000 2.375 80 A HA 0.663 4.983 4.320 -0.000 0.000 0.291 80 A C 0.044 177.683 177.584 0.092 0.000 1.160 80 A CA -0.417 51.717 52.037 0.162 0.000 0.747 80 A CB 0.969 20.166 19.000 0.328 0.000 1.170 80 A HN 0.321 nan 8.150 nan 0.000 0.458 81 S N 1.687 117.450 115.700 0.105 0.000 2.560 81 S HA 0.165 4.635 4.470 -0.000 0.000 0.284 81 S C 1.561 176.199 174.600 0.064 0.000 1.327 81 S CA 0.214 58.469 58.200 0.092 0.000 1.055 81 S CB 1.379 64.657 63.200 0.129 0.000 0.868 81 S HN 1.271 nan 8.310 nan 0.000 0.506 82 S N 1.968 117.690 115.700 0.035 0.000 2.399 82 S HA -0.267 4.203 4.470 -0.000 0.000 0.235 82 S C 1.383 175.990 174.600 0.011 0.000 1.063 82 S CA 1.969 60.166 58.200 -0.005 0.000 1.070 82 S CB -0.692 62.520 63.200 0.019 0.000 0.904 82 S HN 0.702 nan 8.310 nan 0.000 0.456 83 F N 2.188 122.118 119.950 -0.032 0.000 2.051 83 F HA -0.066 4.461 4.527 -0.000 0.000 0.296 83 F C 2.308 178.086 175.800 -0.038 0.000 1.122 83 F CA 2.335 60.321 58.000 -0.024 0.000 1.201 83 F CB -0.693 38.310 39.000 0.005 0.000 0.978 83 F HN 0.275 nan 8.300 nan 0.000 0.472 84 K N 0.957 121.493 120.400 0.226 0.000 2.009 84 K HA -0.199 4.121 4.320 -0.000 0.000 0.210 84 K C 2.038 178.565 176.600 -0.122 0.000 1.049 84 K CA 2.382 58.760 56.287 0.152 0.000 0.929 84 K CB -0.761 31.903 32.500 0.273 0.000 0.714 84 K HN 0.424 nan 8.250 nan 0.000 0.440 85 I N 1.099 121.447 120.570 -0.369 0.000 2.145 85 I HA -0.363 3.807 4.170 -0.000 0.000 0.244 85 I C 2.034 177.728 176.117 -0.705 0.000 1.075 85 I CA 2.283 62.984 61.300 -0.997 0.000 1.332 85 I CB -1.052 36.575 38.000 -0.621 0.000 1.033 85 I HN 0.467 nan 8.210 nan 0.000 0.410 86 T N 0.105 114.408 114.554 -0.419 0.000 2.809 86 T HA -0.042 4.308 4.350 -0.000 0.000 0.260 86 T C 1.995 176.510 174.700 -0.309 0.000 1.039 86 T CA 0.543 62.445 62.100 -0.331 0.000 1.141 86 T CB -0.232 68.474 68.868 -0.271 0.000 0.869 86 T HN 0.221 nan 8.240 nan 0.000 0.437 87 R N 1.261 121.514 120.500 -0.412 0.000 2.120 87 R HA 0.031 4.371 4.340 -0.000 0.000 0.234 87 R C 2.811 179.034 176.300 -0.128 0.000 1.123 87 R CA 1.333 57.229 56.100 -0.341 0.000 0.975 87 R CB -1.332 28.661 30.300 -0.512 0.000 0.866 87 R HN 0.530 nan 8.270 nan 0.000 0.446 88 G N 1.844 110.613 108.800 -0.052 0.000 2.511 88 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 88 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 88 G C 1.604 176.598 174.900 0.158 0.000 1.218 88 G CA 0.779 46.004 45.100 0.207 0.000 0.788 88 G HN 0.221 nan 8.290 nan 0.000 0.560 89 I N 0.588 121.195 120.570 0.062 0.000 2.208 89 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 89 I C 2.752 178.868 176.117 -0.001 0.000 1.097 89 I CA 1.320 62.647 61.300 0.046 0.000 1.363 89 I CB -0.501 37.480 38.000 -0.032 0.000 1.051 89 I HN 0.293 nan 8.210 nan 0.000 0.413 90 E N 1.311 121.482 120.200 -0.049 0.000 2.033 90 E HA -0.308 4.042 4.350 -0.000 0.000 0.199 90 E C 2.363 178.952 176.600 -0.019 0.000 1.011 90 E CA 1.531 57.903 56.400 -0.047 0.000 0.815 90 E CB -0.333 29.318 29.700 -0.082 0.000 0.755 90 E HN 0.525 nan 8.360 nan 0.000 0.451 91 A N 0.709 123.524 122.820 -0.008 0.000 1.942 91 A HA -0.285 4.034 4.320 -0.000 0.000 0.227 91 A C 2.336 179.925 177.584 0.008 0.000 1.445 91 A CA 2.470 54.512 52.037 0.009 0.000 0.704 91 A CB -0.861 18.159 19.000 0.033 0.000 0.841 91 A HN 0.218 nan 8.150 nan 0.000 0.495 92 V N -1.642 118.280 119.914 0.013 0.000 3.578 92 V HA 0.406 4.526 4.120 -0.000 0.000 0.290 92 V C 1.614 177.709 176.094 0.002 0.000 1.376 92 V CA 0.800 63.106 62.300 0.009 0.000 1.083 92 V CB -0.459 31.376 31.823 0.019 0.000 0.911 92 V HN 1.464 nan 8.190 nan 0.000 0.433 93 G N 0.715 109.513 108.800 -0.003 0.000 2.160 93 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.251 93 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.251 93 G C 0.581 175.475 174.900 -0.010 0.000 1.008 93 G CA 0.203 45.297 45.100 -0.010 0.000 0.724 93 G HN 0.873 nan 8.290 nan 0.000 0.514 94 G N -0.741 108.057 108.800 -0.004 0.000 2.621 94 G HA2 0.587 4.547 3.960 -0.000 0.000 0.271 94 G HA3 0.587 4.547 3.960 -0.000 0.000 0.271 94 G C -0.047 174.843 174.900 -0.016 0.000 1.236 94 G CA 0.198 45.296 45.100 -0.003 0.000 0.958 94 G HN 0.851 nan 8.290 nan 0.000 0.512 95 K N -0.812 119.578 120.400 -0.018 0.000 2.501 95 K HA 0.510 4.830 4.320 -0.000 0.000 0.252 95 K C -2.018 174.566 176.600 -0.027 0.000 0.934 95 K CA -0.834 55.436 56.287 -0.028 0.000 0.797 95 K CB 2.120 34.603 32.500 -0.029 0.000 1.270 95 K HN 0.365 nan 8.250 nan 0.000 0.431 96 L N 3.091 124.292 121.223 -0.036 0.000 2.384 96 L HA 0.376 4.716 4.340 -0.000 0.000 0.261 96 L C -1.310 175.531 176.870 -0.048 0.000 1.024 96 L CA -0.049 54.772 54.840 -0.032 0.000 0.899 96 L CB 1.509 43.551 42.059 -0.029 0.000 1.243 96 L HN 0.613 nan 8.230 nan 0.000 0.449 97 S N 2.987 118.649 115.700 -0.064 0.000 2.475 97 S HA 0.486 4.956 4.470 -0.000 0.000 0.281 97 S C -0.214 174.280 174.600 -0.176 0.000 1.198 97 S CA -0.479 57.660 58.200 -0.102 0.000 1.063 97 S CB 1.530 64.674 63.200 -0.093 0.000 0.972 97 S HN 0.354 nan 8.310 nan 0.000 0.486 98 V N 4.546 124.316 119.914 -0.239 0.000 2.239 98 V HA 0.259 4.379 4.120 -0.000 0.000 0.267 98 V C 0.326 176.180 176.094 -0.401 0.000 1.056 98 V CA -0.459 61.548 62.300 -0.488 0.000 0.830 98 V CB 0.667 32.138 31.823 -0.588 0.000 1.090 98 V HN 0.820 nan 8.190 nan 0.000 0.459 99 T N 3.540 117.891 114.554 -0.337 0.000 2.882 99 T HA 0.599 4.949 4.350 -0.000 0.000 0.287 99 T C 0.154 174.743 174.700 -0.185 0.000 0.992 99 T CA -0.124 61.848 62.100 -0.213 0.000 1.076 99 T CB 1.348 70.130 68.868 -0.143 0.000 0.961 99 T HN 0.813 nan 8.240 nan 0.000 0.490 100 S N 1.606 117.240 115.700 -0.111 0.000 2.556 100 S HA 0.791 5.261 4.470 -0.000 0.000 0.271 100 S C -0.531 174.058 174.600 -0.018 0.000 1.135 100 S CA -0.738 57.431 58.200 -0.050 0.000 0.858 100 S CB 2.251 65.422 63.200 -0.048 0.000 1.114 100 S HN 0.712 nan 8.310 nan 0.000 0.468 101 T N 0.102 114.676 114.554 0.034 0.000 2.742 101 T HA 0.512 4.862 4.350 -0.000 0.000 0.282 101 T C 0.747 175.477 174.700 0.050 0.000 1.025 101 T CA -0.672 61.463 62.100 0.058 0.000 1.020 101 T CB 1.377 70.325 68.868 0.135 0.000 1.317 101 T HN 0.654 nan 8.240 nan 0.000 0.538 102 R N -0.044 120.481 120.500 0.042 0.000 2.189 102 R HA 0.105 4.445 4.340 -0.000 0.000 0.223 102 R C 1.728 178.035 176.300 0.013 0.000 1.092 102 R CA 1.080 57.141 56.100 -0.065 0.000 0.989 102 R CB 0.144 30.276 30.300 -0.280 0.000 0.876 102 R HN 0.525 nan 8.270 nan 0.000 0.457 103 E N -0.764 119.522 120.200 0.143 0.000 2.330 103 E HA 0.147 4.497 4.350 -0.000 0.000 0.200 103 E C -0.004 176.768 176.600 0.285 0.000 0.922 103 E CA 0.340 56.872 56.400 0.219 0.000 0.935 103 E CB 0.482 30.337 29.700 0.258 0.000 0.917 103 E HN 0.175 nan 8.360 nan 0.000 0.491 104 N N -0.073 118.760 118.700 0.222 0.000 2.629 104 N HA 0.391 5.130 4.740 -0.000 0.000 0.279 104 N C -0.929 174.676 175.510 0.157 0.000 1.344 104 N CA -0.472 52.699 53.050 0.202 0.000 0.789 104 N CB 2.024 40.639 38.487 0.215 0.000 1.508 104 N HN -0.101 nan 8.380 nan 0.000 0.516 105 M N 1.478 121.157 119.600 0.131 0.000 2.037 105 M HA 0.391 4.871 4.480 -0.000 0.000 0.255 105 M C -1.395 174.862 176.300 -0.072 0.000 0.914 105 M CA -0.495 54.826 55.300 0.034 0.000 0.986 105 M CB 0.992 33.657 32.600 0.110 0.000 1.947 105 M HN 0.637 nan 8.290 nan 0.000 0.419 106 A N 3.179 125.884 122.820 -0.191 0.000 2.409 106 A HA 0.375 4.695 4.320 -0.000 0.000 0.267 106 A C -1.341 175.960 177.584 -0.473 0.000 1.127 106 A CA 0.101 51.811 52.037 -0.546 0.000 0.795 106 A CB -0.075 18.471 19.000 -0.756 0.000 1.061 106 A HN 0.770 nan 8.150 nan 0.000 0.502 107 Y N 2.547 122.571 120.300 -0.460 0.000 2.880 107 Y HA 0.199 4.749 4.550 -0.000 0.000 0.329 107 Y C 1.103 176.830 175.900 -0.288 0.000 1.156 107 Y CA 0.198 58.116 58.100 -0.303 0.000 1.348 107 Y CB 0.609 38.921 38.460 -0.247 0.000 1.280 107 Y HN 0.684 nan 8.280 nan 0.000 0.516 108 T N 2.029 116.474 114.554 -0.182 0.000 2.932 108 T HA 0.202 4.552 4.350 -0.000 0.000 0.312 108 T C -0.533 174.133 174.700 -0.057 0.000 1.071 108 T CA 0.185 62.205 62.100 -0.133 0.000 1.128 108 T CB 0.700 69.487 68.868 -0.135 0.000 0.984 108 T HN 0.290 nan 8.240 nan 0.000 0.549 109 V N 4.201 124.092 119.914 -0.039 0.000 2.568 109 V HA 0.320 4.439 4.120 -0.000 0.000 0.276 109 V C -0.430 175.655 176.094 -0.014 0.000 1.002 109 V CA -0.627 61.663 62.300 -0.016 0.000 0.879 109 V CB 1.322 33.143 31.823 -0.002 0.000 1.040 109 V HN 0.855 nan 8.190 nan 0.000 0.457 110 E N 4.746 124.937 120.200 -0.016 0.000 2.248 110 E HA 0.778 5.127 4.350 -0.000 0.000 0.272 110 E C -0.631 175.962 176.600 -0.012 0.000 1.008 110 E CA 0.129 56.519 56.400 -0.017 0.000 0.856 110 E CB 1.998 31.686 29.700 -0.021 0.000 1.120 110 E HN 1.012 nan 8.360 nan 0.000 0.397 111 C N 1.682 120.972 119.300 -0.017 0.000 2.986 111 C HA 0.330 4.790 4.460 -0.000 0.000 0.326 111 C C -1.525 173.453 174.990 -0.021 0.000 1.335 111 C CA -1.084 57.926 59.018 -0.014 0.000 1.223 111 C CB -0.130 27.607 27.740 -0.005 0.000 1.354 111 C HN 0.666 nan 8.230 nan 0.000 0.447 112 L N 2.618 123.830 121.223 -0.019 0.000 2.397 112 L HA 0.340 4.679 4.340 -0.000 0.000 0.271 112 L C 1.967 178.821 176.870 -0.026 0.000 1.148 112 L CA 0.039 54.865 54.840 -0.024 0.000 0.825 112 L CB 0.846 42.893 42.059 -0.020 0.000 1.117 112 L HN 0.895 nan 8.230 nan 0.000 0.456 113 R N 1.371 121.853 120.500 -0.031 0.000 2.191 113 R HA -0.242 4.098 4.340 -0.000 0.000 0.248 113 R C 1.164 177.450 176.300 -0.023 0.000 1.127 113 R CA 2.256 58.339 56.100 -0.029 0.000 0.943 113 R CB -0.171 30.111 30.300 -0.030 0.000 0.891 113 R HN 0.686 nan 8.270 nan 0.000 0.439 114 D N 0.071 120.458 120.400 -0.020 0.000 2.309 114 D HA -0.102 4.538 4.640 -0.000 0.000 0.212 114 D C 0.754 177.041 176.300 -0.023 0.000 0.968 114 D CA 0.981 54.970 54.000 -0.019 0.000 0.882 114 D CB -0.107 40.684 40.800 -0.015 0.000 0.918 114 D HN 0.316 nan 8.370 nan 0.000 0.503 115 D N -0.456 119.930 120.400 -0.024 0.000 2.398 115 D HA 0.024 4.663 4.640 -0.000 0.000 0.210 115 D C 2.085 178.364 176.300 -0.034 0.000 1.094 115 D CA 0.017 54.000 54.000 -0.028 0.000 0.839 115 D CB 1.050 41.839 40.800 -0.017 0.000 0.963 115 D HN 0.020 nan 8.370 nan 0.000 0.506 116 V N 1.057 120.951 119.914 -0.033 0.000 2.370 116 V HA -0.287 3.833 4.120 -0.000 0.000 0.252 116 V C 1.804 177.864 176.094 -0.057 0.000 1.068 116 V CA 1.856 64.134 62.300 -0.037 0.000 1.061 116 V CB -0.522 31.283 31.823 -0.030 0.000 0.656 116 V HN 0.065 nan 8.190 nan 0.000 0.455 117 D N -0.065 120.296 120.400 -0.064 0.000 2.144 117 D HA -0.089 4.550 4.640 -0.000 0.000 0.200 117 D C 1.957 178.172 176.300 -0.142 0.000 0.978 117 D CA 1.171 55.117 54.000 -0.089 0.000 0.833 117 D CB -0.193 40.566 40.800 -0.068 0.000 0.961 117 D HN 0.467 nan 8.370 nan 0.000 0.470 118 I N -0.112 120.374 120.570 -0.139 0.000 2.315 118 I HA -0.173 3.997 4.170 -0.000 0.000 0.248 118 I C 2.006 177.946 176.117 -0.294 0.000 1.117 118 I CA 0.625 61.787 61.300 -0.229 0.000 1.404 118 I CB -0.095 37.809 38.000 -0.160 0.000 1.071 118 I HN 0.020 nan 8.210 nan 0.000 0.419 119 L N -0.391 120.761 121.223 -0.119 0.000 2.109 119 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 119 L C 2.469 179.321 176.870 -0.031 0.000 1.086 119 L CA 1.573 56.409 54.840 -0.007 0.000 0.760 119 L CB -0.350 41.721 42.059 0.020 0.000 0.910 119 L HN 0.221 nan 8.230 nan 0.000 0.437 120 M N -0.943 118.600 119.600 -0.096 0.000 2.132 120 M HA -0.232 4.248 4.480 -0.000 0.000 0.263 120 M C 2.177 178.372 176.300 -0.175 0.000 1.065 120 M CA 1.745 56.977 55.300 -0.114 0.000 1.122 120 M CB -0.222 32.303 32.600 -0.126 0.000 1.365 120 M HN 0.279 nan 8.290 nan 0.000 0.411 121 E N -0.487 119.561 120.200 -0.253 0.000 2.267 121 E HA -0.199 4.151 4.350 -0.000 0.000 0.197 121 E C 1.458 177.950 176.600 -0.181 0.000 0.998 121 E CA 1.054 57.269 56.400 -0.310 0.000 0.830 121 E CB -0.025 29.470 29.700 -0.342 0.000 0.751 121 E HN 0.490 nan 8.360 nan 0.000 0.491 122 F N 0.575 120.456 119.950 -0.115 0.000 2.074 122 F HA -0.097 4.430 4.527 -0.000 0.000 0.293 122 F C 2.232 177.971 175.800 -0.102 0.000 1.116 122 F CA 0.688 58.634 58.000 -0.090 0.000 1.212 122 F CB -1.185 37.774 39.000 -0.068 0.000 0.998 122 F HN 0.113 nan 8.300 nan 0.000 0.471 123 L N 0.167 121.448 121.223 0.097 0.000 2.137 123 L HA -0.222 4.118 4.340 -0.000 0.000 0.213 123 L C 1.960 178.786 176.870 -0.074 0.000 1.085 123 L CA 1.743 56.576 54.840 -0.011 0.000 0.760 123 L CB -0.851 41.187 42.059 -0.037 0.000 0.893 123 L HN 0.143 nan 8.230 nan 0.000 0.434 124 L N -1.114 120.047 121.223 -0.103 0.000 2.109 124 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 124 L C 2.160 178.991 176.870 -0.065 0.000 1.086 124 L CA 1.184 55.941 54.840 -0.138 0.000 0.760 124 L CB -0.606 41.265 42.059 -0.313 0.000 0.910 124 L HN 0.328 nan 8.230 nan 0.000 0.437 125 N N -0.323 118.364 118.700 -0.021 0.000 2.106 125 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 125 N C 1.804 177.307 175.510 -0.012 0.000 1.029 125 N CA 1.059 54.120 53.050 0.018 0.000 0.848 125 N CB -0.230 38.308 38.487 0.086 0.000 1.007 125 N HN -0.033 nan 8.380 nan 0.000 0.423 126 V N -0.499 119.399 119.914 -0.027 0.000 2.568 126 V HA -0.214 3.905 4.120 -0.000 0.000 0.253 126 V C 2.125 178.163 176.094 -0.092 0.000 1.072 126 V CA 2.085 64.347 62.300 -0.063 0.000 1.084 126 V CB -0.638 31.151 31.823 -0.056 0.000 0.676 126 V HN 0.471 nan 8.190 nan 0.000 0.469 127 T N -1.842 112.636 114.554 -0.126 0.000 3.038 127 T HA -0.018 4.332 4.350 -0.000 0.000 0.244 127 T C 1.638 176.349 174.700 0.018 0.000 1.016 127 T CA 1.288 63.292 62.100 -0.160 0.000 1.098 127 T CB 0.109 68.746 68.868 -0.385 0.000 0.954 127 T HN 0.533 nan 8.240 nan 0.000 0.469 128 T N 0.634 115.195 114.554 0.012 0.000 3.022 128 T HA 0.528 4.878 4.350 -0.000 0.000 0.250 128 T C 1.257 175.994 174.700 0.060 0.000 1.060 128 T CA 0.448 62.582 62.100 0.056 0.000 1.013 128 T CB 0.431 69.341 68.868 0.070 0.000 0.982 128 T HN 0.310 nan 8.240 nan 0.000 0.508 129 A N 1.361 124.206 122.820 0.042 0.000 2.603 129 A HA 0.459 4.779 4.320 -0.000 0.000 0.277 129 A C -2.545 175.042 177.584 0.005 0.000 1.158 129 A CA -0.927 51.134 52.037 0.041 0.000 0.962 129 A CB -0.078 18.951 19.000 0.049 0.000 1.189 129 A HN 0.183 nan 8.150 nan 0.000 0.552 130 P HA -0.072 nan 4.420 nan 0.000 0.263 130 P C -0.316 176.905 177.300 -0.131 0.000 1.162 130 P CA 1.017 64.004 63.100 -0.188 0.000 0.758 130 P CB 0.341 31.968 31.700 -0.121 0.000 0.773 131 E N 2.270 122.298 120.200 -0.287 0.000 3.303 131 E HA 0.166 4.516 4.350 -0.000 0.000 0.215 131 E C -0.674 175.801 176.600 -0.209 0.000 1.181 131 E CA -0.537 55.786 56.400 -0.129 0.000 0.998 131 E CB -0.042 29.593 29.700 -0.109 0.000 1.312 131 E HN 0.315 nan 8.360 nan 0.000 0.412 132 F N 1.695 121.607 119.950 -0.064 0.000 2.552 132 F HA 0.110 4.637 4.527 -0.000 0.000 0.342 132 F C 1.010 176.663 175.800 -0.244 0.000 1.257 132 F CA -0.055 57.868 58.000 -0.128 0.000 1.058 132 F CB -0.123 38.839 39.000 -0.064 0.000 1.288 132 F HN -0.039 nan 8.300 nan 0.000 0.627 133 R N 3.153 123.442 120.500 -0.352 0.000 2.401 133 R HA 0.106 4.446 4.340 -0.000 0.000 0.299 133 R C 1.861 177.845 176.300 -0.527 0.000 1.064 133 R CA -0.454 55.213 56.100 -0.721 0.000 1.000 133 R CB 0.544 29.869 30.300 -1.624 0.000 0.973 133 R HN 0.626 nan 8.270 nan 0.000 0.438 134 R N 3.503 123.843 120.500 -0.267 0.000 2.190 134 R HA -0.277 4.063 4.340 -0.000 0.000 0.255 134 R C 1.315 177.624 176.300 0.016 0.000 1.143 134 R CA 2.760 58.831 56.100 -0.048 0.000 0.965 134 R CB -0.528 29.819 30.300 0.078 0.000 0.889 134 R HN 0.881 nan 8.270 nan 0.000 0.448 135 W N 0.732 122.055 121.300 0.038 0.000 2.418 135 W HA 0.089 4.748 4.660 -0.000 0.000 0.292 135 W C 1.614 178.155 176.519 0.036 0.000 1.213 135 W CA 1.009 58.373 57.345 0.031 0.000 1.283 135 W CB -0.339 29.135 29.460 0.023 0.000 1.119 135 W HN 0.137 nan 8.180 nan 0.000 0.542 136 E N 0.922 120.920 120.200 -0.336 0.000 2.046 136 E HA -0.148 4.202 4.350 -0.000 0.000 0.190 136 E C 2.258 178.829 176.600 -0.048 0.000 0.982 136 E CA 1.690 57.998 56.400 -0.153 0.000 0.800 136 E CB -0.330 29.177 29.700 -0.323 0.000 0.756 136 E HN 0.181 nan 8.360 nan 0.000 0.449 137 V N 1.476 121.350 119.914 -0.067 0.000 2.515 137 V HA -0.221 3.899 4.120 -0.000 0.000 0.250 137 V C 2.280 178.395 176.094 0.034 0.000 1.058 137 V CA 1.657 63.973 62.300 0.027 0.000 1.064 137 V CB -0.691 31.170 31.823 0.064 0.000 0.675 137 V HN 0.277 nan 8.190 nan 0.000 0.461 138 A N 0.232 123.076 122.820 0.039 0.000 1.898 138 A HA -0.016 4.303 4.320 -0.000 0.000 0.216 138 A C 2.446 180.067 177.584 0.063 0.000 1.181 138 A CA 1.818 53.889 52.037 0.057 0.000 0.620 138 A CB -0.683 18.367 19.000 0.083 0.000 0.819 138 A HN 0.539 nan 8.150 nan 0.000 0.442 139 A N -0.341 122.525 122.820 0.077 0.000 1.877 139 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 139 A C 2.071 179.687 177.584 0.053 0.000 1.186 139 A CA 1.715 53.796 52.037 0.072 0.000 0.620 139 A CB -0.690 18.363 19.000 0.088 0.000 0.822 139 A HN 0.528 nan 8.150 nan 0.000 0.443 140 L N -0.317 120.935 121.223 0.049 0.000 1.951 140 L HA -0.290 4.050 4.340 -0.000 0.000 0.222 140 L C 2.380 179.275 176.870 0.042 0.000 1.078 140 L CA 2.590 57.456 54.840 0.043 0.000 0.778 140 L CB -1.301 40.786 42.059 0.046 0.000 0.893 140 L HN 0.516 nan 8.230 nan 0.000 0.436 141 Q N -0.478 119.346 119.800 0.040 0.000 2.293 141 Q HA -0.285 4.055 4.340 -0.000 0.000 0.223 141 Q C 0.281 176.302 176.000 0.035 0.000 1.087 141 Q CA 3.240 59.064 55.803 0.034 0.000 0.966 141 Q CB -2.789 25.964 28.738 0.026 0.000 1.076 141 Q HN 0.425 nan 8.270 nan 0.000 0.488 142 P HA -0.172 nan 4.420 nan 0.000 0.218 142 P C 1.340 178.661 177.300 0.034 0.000 1.146 142 P CA 1.892 65.009 63.100 0.028 0.000 0.820 142 P CB -0.186 31.529 31.700 0.025 0.000 0.778 143 Q N -0.282 119.542 119.800 0.041 0.000 2.181 143 Q HA -0.147 4.193 4.340 -0.000 0.000 0.205 143 Q C 1.962 178.008 176.000 0.077 0.000 0.980 143 Q CA 1.431 57.262 55.803 0.046 0.000 0.862 143 Q CB -1.196 27.565 28.738 0.038 0.000 0.905 143 Q HN 0.214 nan 8.270 nan 0.000 0.429 144 L N -0.514 120.768 121.223 0.099 0.000 1.989 144 L HA -0.246 4.094 4.340 -0.000 0.000 0.211 144 L C 2.604 179.538 176.870 0.107 0.000 1.071 144 L CA 1.869 56.813 54.840 0.175 0.000 0.749 144 L CB -0.481 41.652 42.059 0.123 0.000 0.890 144 L HN 0.231 nan 8.230 nan 0.000 0.431 145 R N 0.091 120.615 120.500 0.039 0.000 2.096 145 R HA -0.199 4.141 4.340 -0.000 0.000 0.240 145 R C 2.279 178.584 176.300 0.009 0.000 1.139 145 R CA 1.768 57.872 56.100 0.007 0.000 0.952 145 R CB -0.383 29.918 30.300 0.000 0.000 0.854 145 R HN 0.290 nan 8.270 nan 0.000 0.436 146 I N 0.322 120.906 120.570 0.023 0.000 2.163 146 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 146 I C 2.185 178.315 176.117 0.022 0.000 1.085 146 I CA 1.480 62.789 61.300 0.015 0.000 1.347 146 I CB -0.362 37.649 38.000 0.018 0.000 1.044 146 I HN 0.237 nan 8.210 nan 0.000 0.408 147 D N 1.029 121.469 120.400 0.067 0.000 2.097 147 D HA -0.234 4.405 4.640 -0.000 0.000 0.195 147 D C 2.139 178.472 176.300 0.054 0.000 0.989 147 D CA 1.473 55.533 54.000 0.101 0.000 0.827 147 D CB -0.049 40.863 40.800 0.188 0.000 0.966 147 D HN 0.096 nan 8.370 nan 0.000 0.456 148 K N -0.169 120.255 120.400 0.040 0.000 2.063 148 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 148 K C 2.003 178.485 176.600 -0.197 0.000 1.048 148 K CA 1.375 57.574 56.287 -0.147 0.000 0.928 148 K CB -0.218 32.209 32.500 -0.121 0.000 0.713 148 K HN 0.122 nan 8.250 nan 0.000 0.442 149 A N 0.669 123.425 122.820 -0.107 0.000 1.865 149 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 149 A C 2.270 179.798 177.584 -0.093 0.000 1.191 149 A CA 2.124 54.107 52.037 -0.090 0.000 0.623 149 A CB -1.084 17.884 19.000 -0.052 0.000 0.826 149 A HN 0.305 nan 8.150 nan 0.000 0.444 150 V N -2.459 117.412 119.914 -0.071 0.000 2.407 150 V HA -0.034 4.086 4.120 -0.000 0.000 0.248 150 V C 2.476 178.519 176.094 -0.085 0.000 1.055 150 V CA 2.007 64.272 62.300 -0.058 0.000 1.049 150 V CB -1.378 30.429 31.823 -0.027 0.000 0.662 150 V HN 0.543 nan 8.190 nan 0.000 0.455 151 A N 0.215 122.944 122.820 -0.151 0.000 1.968 151 A HA 0.215 4.534 4.320 -0.000 0.000 0.217 151 A C 2.128 179.580 177.584 -0.220 0.000 1.169 151 A CA 1.371 53.285 52.037 -0.205 0.000 0.638 151 A CB -0.551 18.191 19.000 -0.430 0.000 0.812 151 A HN 0.553 nan 8.150 nan 0.000 0.446 152 L N -0.201 120.881 121.223 -0.235 0.000 2.650 152 L HA -0.059 4.281 4.340 -0.000 0.000 0.235 152 L C 2.133 178.942 176.870 -0.102 0.000 1.149 152 L CA 0.374 55.122 54.840 -0.153 0.000 0.887 152 L CB -0.432 41.539 42.059 -0.147 0.000 1.021 152 L HN 0.567 nan 8.230 nan 0.000 0.441 153 Q N -0.121 119.628 119.800 -0.085 0.000 2.297 153 Q HA -0.013 4.326 4.340 -0.000 0.000 0.204 153 Q C 0.122 176.096 176.000 -0.043 0.000 0.962 153 Q CA 0.526 56.293 55.803 -0.059 0.000 0.879 153 Q CB 0.307 29.018 28.738 -0.043 0.000 0.947 153 Q HN 0.479 nan 8.270 nan 0.000 0.462 154 N N 1.236 119.915 118.700 -0.035 0.000 2.439 154 N HA 0.099 4.839 4.740 -0.000 0.000 0.249 154 N C -2.069 173.420 175.510 -0.036 0.000 1.003 154 N CA -1.372 51.670 53.050 -0.012 0.000 0.942 154 N CB 1.253 39.749 38.487 0.015 0.000 1.115 154 N HN -0.068 nan 8.380 nan 0.000 0.505 155 P HA -0.319 nan 4.420 nan 0.000 0.219 155 P C 1.408 178.644 177.300 -0.107 0.000 1.161 155 P CA 1.904 64.833 63.100 -0.285 0.000 0.909 155 P CB 0.251 31.390 31.700 -0.935 0.000 0.793 156 Q N 0.004 119.835 119.800 0.053 0.000 2.045 156 Q HA -0.311 4.029 4.340 -0.000 0.000 0.215 156 Q C 2.163 178.235 176.000 0.120 0.000 1.026 156 Q CA 2.355 58.257 55.803 0.165 0.000 0.885 156 Q CB -1.744 27.034 28.738 0.067 0.000 0.984 156 Q HN 0.189 nan 8.270 nan 0.000 0.414 157 A N 1.101 123.969 122.820 0.080 0.000 1.883 157 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 157 A C 2.139 179.783 177.584 0.100 0.000 1.186 157 A CA 1.786 53.881 52.037 0.097 0.000 0.624 157 A CB -1.097 17.951 19.000 0.079 0.000 0.822 157 A HN 0.647 nan 8.150 nan 0.000 0.444 158 H N -1.168 117.893 119.070 -0.015 0.000 2.462 158 H HA 0.026 4.581 4.556 -0.000 0.000 0.292 158 H C 2.093 177.423 175.328 0.003 0.000 1.049 158 H CA 1.497 57.535 56.048 -0.015 0.000 1.334 158 H CB 0.215 29.944 29.762 -0.055 0.000 1.404 158 H HN 0.269 nan 8.280 nan 0.000 0.544 159 V N 0.688 120.641 119.914 0.065 0.000 2.302 159 V HA -0.196 3.924 4.120 -0.000 0.000 0.243 159 V C 2.385 178.482 176.094 0.005 0.000 1.036 159 V CA 0.951 63.260 62.300 0.015 0.000 1.020 159 V CB -0.319 31.510 31.823 0.011 0.000 0.657 159 V HN 0.231 nan 8.190 nan 0.000 0.453 160 I N 0.230 120.848 120.570 0.081 0.000 2.185 160 I HA -0.239 3.931 4.170 -0.000 0.000 0.246 160 I C 2.509 178.710 176.117 0.141 0.000 1.088 160 I CA 1.485 62.850 61.300 0.108 0.000 1.347 160 I CB -1.044 37.043 38.000 0.144 0.000 1.041 160 I HN 0.412 nan 8.210 nan 0.000 0.415 161 E N 0.149 120.374 120.200 0.041 0.000 2.016 161 E HA -0.169 4.181 4.350 -0.000 0.000 0.190 161 E C 1.972 178.560 176.600 -0.020 0.000 0.985 161 E CA 1.056 57.450 56.400 -0.011 0.000 0.802 161 E CB -0.444 29.207 29.700 -0.082 0.000 0.762 161 E HN 0.480 nan 8.360 nan 0.000 0.448 162 N N 1.265 119.883 118.700 -0.138 0.000 2.091 162 N HA -0.188 4.552 4.740 -0.000 0.000 0.193 162 N C 1.740 177.249 175.510 -0.002 0.000 1.021 162 N CA 0.642 53.635 53.050 -0.095 0.000 0.862 162 N CB -0.450 37.961 38.487 -0.127 0.000 1.018 162 N HN 0.026 nan 8.380 nan 0.000 0.429 163 L N 1.200 122.438 121.223 0.025 0.000 1.956 163 L HA -0.234 4.106 4.340 -0.000 0.000 0.216 163 L C 2.007 178.950 176.870 0.123 0.000 1.073 163 L CA 1.909 56.773 54.840 0.041 0.000 0.762 163 L CB -1.160 40.911 42.059 0.021 0.000 0.889 163 L HN 0.421 nan 8.230 nan 0.000 0.433 164 H N -1.115 118.027 119.070 0.121 0.000 2.394 164 H HA -0.177 4.379 4.556 -0.000 0.000 0.297 164 H C 1.890 177.330 175.328 0.187 0.000 1.113 164 H CA 1.401 57.577 56.048 0.214 0.000 1.277 164 H CB -0.041 29.799 29.762 0.130 0.000 1.370 164 H HN 0.538 nan 8.280 nan 0.000 0.506 165 A N 0.606 123.541 122.820 0.193 0.000 2.067 165 A HA 0.137 4.457 4.320 -0.000 0.000 0.217 165 A C 2.541 180.182 177.584 0.096 0.000 1.156 165 A CA 0.960 53.068 52.037 0.119 0.000 0.683 165 A CB -0.256 18.776 19.000 0.054 0.000 0.808 165 A HN 0.423 nan 8.150 nan 0.000 0.455 166 A N -0.061 122.798 122.820 0.066 0.000 1.861 166 A HA 0.359 4.679 4.320 -0.000 0.000 0.212 166 A C 2.465 180.043 177.584 -0.009 0.000 1.199 166 A CA 1.453 53.513 52.037 0.037 0.000 0.613 166 A CB -1.077 17.909 19.000 -0.024 0.000 0.846 166 A HN 0.946 nan 8.150 nan 0.000 0.446 167 A N -1.304 121.456 122.820 -0.100 0.000 1.978 167 A HA 0.097 4.416 4.320 -0.000 0.000 0.220 167 A C 1.020 178.351 177.584 -0.423 0.000 1.170 167 A CA 0.948 52.770 52.037 -0.358 0.000 0.636 167 A CB -0.546 18.313 19.000 -0.234 0.000 0.810 167 A HN 0.522 nan 8.150 nan 0.000 0.448 168 Y N -2.525 117.777 120.300 0.004 0.000 2.480 168 Y HA 0.586 5.136 4.550 -0.000 0.000 0.323 168 Y C 1.626 177.531 175.900 0.009 0.000 1.267 168 Y CA -0.620 57.491 58.100 0.018 0.000 1.336 168 Y CB 0.833 39.307 38.460 0.023 0.000 1.361 168 Y HN -0.023 nan 8.280 nan 0.000 0.518 169 R N -0.248 120.328 120.500 0.126 0.000 2.215 169 R HA 0.015 4.355 4.340 -0.000 0.000 0.190 169 R C 1.225 177.524 176.300 -0.002 0.000 0.968 169 R CA 0.873 56.949 56.100 -0.040 0.000 1.122 169 R CB 0.140 30.373 30.300 -0.111 0.000 1.151 169 R HN 0.853 nan 8.270 nan 0.000 0.582 170 N N -0.345 118.376 118.700 0.035 0.000 2.724 170 N HA 0.083 4.823 4.740 -0.000 0.000 0.226 170 N C 1.206 176.705 175.510 -0.018 0.000 1.030 170 N CA 1.023 54.076 53.050 0.005 0.000 1.038 170 N CB -0.230 38.259 38.487 0.003 0.000 1.475 170 N HN 0.084 nan 8.380 nan 0.000 0.472 171 A N 1.121 123.913 122.820 -0.047 0.000 1.963 171 A HA 0.406 4.725 4.320 -0.000 0.000 0.211 171 A C 2.204 179.662 177.584 -0.211 0.000 1.380 171 A CA 0.138 52.096 52.037 -0.132 0.000 0.690 171 A CB -0.666 18.236 19.000 -0.164 0.000 1.060 171 A HN 0.148 nan 8.150 nan 0.000 0.498 172 L N 0.175 121.185 121.223 -0.355 0.000 2.551 172 L HA -0.023 4.317 4.340 -0.000 0.000 0.228 172 L C 2.421 179.129 176.870 -0.271 0.000 1.153 172 L CA 0.704 55.228 54.840 -0.525 0.000 0.851 172 L CB -0.377 41.012 42.059 -1.117 0.000 0.959 172 L HN 0.465 nan 8.230 nan 0.000 0.451 173 A N -0.753 122.030 122.820 -0.063 0.000 2.238 173 A HA 0.023 4.343 4.320 -0.000 0.000 0.208 173 A C 0.670 178.269 177.584 0.025 0.000 1.177 173 A CA -0.031 52.065 52.037 0.098 0.000 0.804 173 A CB -0.336 18.770 19.000 0.176 0.000 0.823 173 A HN 0.320 nan 8.150 nan 0.000 0.482 174 N N 1.672 120.346 118.700 -0.043 0.000 2.475 174 N HA 0.145 4.885 4.740 -0.000 0.000 0.267 174 N C 0.352 175.812 175.510 -0.083 0.000 1.169 174 N CA 0.469 53.485 53.050 -0.057 0.000 0.947 174 N CB 1.078 39.521 38.487 -0.073 0.000 1.061 174 N HN 0.429 nan 8.380 nan 0.000 0.466 175 S N 1.963 117.620 115.700 -0.071 0.000 2.614 175 S HA 0.207 4.677 4.470 -0.000 0.000 0.265 175 S C 1.478 175.986 174.600 -0.152 0.000 1.303 175 S CA -0.632 57.510 58.200 -0.097 0.000 1.000 175 S CB 0.608 63.781 63.200 -0.045 0.000 0.935 175 S HN 0.514 nan 8.310 nan 0.000 0.551 176 L N 0.286 121.362 121.223 -0.244 0.000 2.156 176 L HA 0.097 4.437 4.340 -0.000 0.000 0.208 176 L C -0.167 176.427 176.870 -0.460 0.000 1.095 176 L CA 0.714 55.311 54.840 -0.405 0.000 0.770 176 L CB -0.211 41.450 42.059 -0.663 0.000 0.914 176 L HN 0.651 nan 8.230 nan 0.000 0.439 177 Y N -1.685 118.560 120.300 -0.093 0.000 2.341 177 Y HA 0.200 4.750 4.550 -0.000 0.000 0.337 177 Y C 0.470 176.143 175.900 -0.378 0.000 1.014 177 Y CA -1.376 56.526 58.100 -0.329 0.000 1.111 177 Y CB 0.893 39.211 38.460 -0.237 0.000 1.194 177 Y HN -0.134 nan 8.280 nan 0.000 0.462 178 C N 6.546 125.556 119.300 -0.483 0.000 2.502 178 C HA 0.072 4.532 4.460 -0.000 0.000 0.404 178 C C -2.020 172.836 174.990 -0.222 0.000 1.409 178 C CA -1.109 57.720 59.018 -0.314 0.000 1.648 178 C CB -0.530 27.030 27.740 -0.299 0.000 2.571 178 C HN 0.540 nan 8.230 nan 0.000 0.601 179 P HA 0.140 nan 4.420 nan 0.000 0.271 179 P C 0.389 177.530 177.300 -0.265 0.000 1.216 179 P CA 0.236 63.198 63.100 -0.230 0.000 0.771 179 P CB 0.494 31.993 31.700 -0.335 0.000 0.864 180 D N 1.862 122.208 120.400 -0.090 0.000 2.133 180 D HA -0.218 4.422 4.640 -0.000 0.000 0.192 180 D C 1.549 177.815 176.300 -0.057 0.000 1.001 180 D CA 1.885 55.857 54.000 -0.047 0.000 0.844 180 D CB -0.636 40.175 40.800 0.020 0.000 0.944 180 D HN 0.620 nan 8.370 nan 0.000 0.447 181 Y N 0.107 120.398 120.300 -0.016 0.000 2.632 181 Y HA 0.155 4.705 4.550 -0.000 0.000 0.301 181 Y C 2.017 177.907 175.900 -0.016 0.000 1.172 181 Y CA 0.318 58.410 58.100 -0.014 0.000 1.328 181 Y CB -0.243 38.210 38.460 -0.012 0.000 1.016 181 Y HN -0.194 nan 8.280 nan 0.000 0.529 182 R N 0.471 120.638 120.500 -0.555 0.000 2.221 182 R HA 0.214 4.553 4.340 -0.000 0.000 0.195 182 R C 1.709 177.897 176.300 -0.187 0.000 0.956 182 R CA 0.868 56.712 56.100 -0.427 0.000 1.064 182 R CB -0.439 29.459 30.300 -0.670 0.000 1.049 182 R HN 0.408 nan 8.270 nan 0.000 0.534 183 I N 0.310 120.785 120.570 -0.159 0.000 2.419 183 I HA -0.412 3.758 4.170 -0.000 0.000 0.229 183 I C 2.011 178.102 176.117 -0.044 0.000 0.948 183 I CA 2.189 63.439 61.300 -0.083 0.000 1.247 183 I CB -0.472 37.496 38.000 -0.054 0.000 0.956 183 I HN 0.514 nan 8.210 nan 0.000 0.388 184 G N -0.601 108.185 108.800 -0.025 0.000 2.623 184 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.214 184 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.214 184 G C 1.362 176.258 174.900 -0.006 0.000 1.138 184 G CA 0.427 45.525 45.100 -0.005 0.000 0.794 184 G HN 0.372 nan 8.290 nan 0.000 0.535 185 K N 0.776 121.166 120.400 -0.017 0.000 2.504 185 K HA 0.265 4.585 4.320 -0.000 0.000 0.199 185 K C -0.283 176.297 176.600 -0.033 0.000 1.028 185 K CA -0.148 56.132 56.287 -0.012 0.000 1.164 185 K CB 0.135 32.641 32.500 0.010 0.000 0.877 185 K HN 0.015 nan 8.250 nan 0.000 0.508 186 V N 2.494 122.381 119.914 -0.046 0.000 2.353 186 V HA 0.101 4.221 4.120 -0.000 0.000 0.264 186 V C 0.387 176.446 176.094 -0.058 0.000 1.049 186 V CA -0.577 61.683 62.300 -0.067 0.000 0.896 186 V CB 0.585 32.358 31.823 -0.083 0.000 1.025 186 V HN 0.439 nan 8.190 nan 0.000 0.475 187 T N 3.623 118.141 114.554 -0.060 0.000 2.913 187 T HA 0.358 4.707 4.350 -0.000 0.000 0.287 187 T C -1.476 173.177 174.700 -0.078 0.000 1.008 187 T CA -1.850 60.221 62.100 -0.048 0.000 1.067 187 T CB 1.783 70.633 68.868 -0.029 0.000 0.996 187 T HN 0.360 nan 8.240 nan 0.000 0.513 188 P HA -0.153 nan 4.420 nan 0.000 0.218 188 P C 1.705 178.957 177.300 -0.081 0.000 1.154 188 P CA 0.758 63.820 63.100 -0.064 0.000 0.872 188 P CB -0.120 31.570 31.700 -0.017 0.000 0.790 189 V N -0.679 119.205 119.914 -0.050 0.000 2.407 189 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 189 V C 2.348 178.427 176.094 -0.025 0.000 1.055 189 V CA 1.866 64.152 62.300 -0.022 0.000 1.049 189 V CB -1.068 30.743 31.823 -0.019 0.000 0.662 189 V HN 0.120 nan 8.190 nan 0.000 0.455 190 E N -0.030 120.129 120.200 -0.069 0.000 2.049 190 E HA -0.246 4.104 4.350 -0.000 0.000 0.198 190 E C 2.122 178.625 176.600 -0.162 0.000 1.007 190 E CA 1.688 58.034 56.400 -0.091 0.000 0.809 190 E CB -0.286 29.346 29.700 -0.113 0.000 0.749 190 E HN 0.507 nan 8.360 nan 0.000 0.450 191 L N -0.563 120.462 121.223 -0.331 0.000 2.012 191 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 191 L C 2.514 179.071 176.870 -0.521 0.000 1.073 191 L CA 1.791 56.248 54.840 -0.639 0.000 0.748 191 L CB -0.490 40.727 42.059 -1.403 0.000 0.891 191 L HN 0.269 nan 8.230 nan 0.000 0.431 192 H N -0.295 118.519 119.070 -0.425 0.000 2.387 192 H HA -0.188 4.367 4.556 -0.000 0.000 0.299 192 H C 1.759 177.034 175.328 -0.089 0.000 1.099 192 H CA 2.000 57.955 56.048 -0.155 0.000 1.315 192 H CB 0.123 29.861 29.762 -0.040 0.000 1.380 192 H HN 0.273 nan 8.280 nan 0.000 0.513 193 D N -1.068 119.335 120.400 0.006 0.000 2.137 193 D HA -0.121 4.519 4.640 -0.000 0.000 0.202 193 D C 1.679 177.986 176.300 0.011 0.000 0.970 193 D CA 0.820 54.829 54.000 0.016 0.000 0.837 193 D CB -0.451 40.389 40.800 0.066 0.000 0.981 193 D HN 0.382 nan 8.370 nan 0.000 0.475 194 Y N 1.411 121.627 120.300 -0.139 0.000 2.114 194 Y HA -0.231 4.319 4.550 -0.000 0.000 0.284 194 Y C 2.197 177.965 175.900 -0.221 0.000 1.143 194 Y CA 1.112 59.142 58.100 -0.117 0.000 1.135 194 Y CB -0.510 37.782 38.460 -0.280 0.000 0.980 194 Y HN -0.202 nan 8.280 nan 0.000 0.499 195 V N 1.036 120.713 119.914 -0.396 0.000 2.231 195 V HA -0.449 3.671 4.120 -0.000 0.000 0.250 195 V C 2.430 178.335 176.094 -0.315 0.000 1.058 195 V CA 2.499 64.426 62.300 -0.621 0.000 1.022 195 V CB -1.234 30.369 31.823 -0.367 0.000 0.640 195 V HN 0.594 nan 8.190 nan 0.000 0.445 196 Q N 0.669 120.309 119.800 -0.268 0.000 2.029 196 Q HA -0.306 4.034 4.340 -0.000 0.000 0.209 196 Q C 1.958 177.861 176.000 -0.161 0.000 0.999 196 Q CA 2.674 58.355 55.803 -0.203 0.000 0.857 196 Q CB -0.324 28.274 28.738 -0.233 0.000 0.926 196 Q HN 0.704 nan 8.270 nan 0.000 0.415 197 N N -0.367 118.217 118.700 -0.193 0.000 2.216 197 N HA -0.104 4.636 4.740 -0.000 0.000 0.183 197 N C 1.487 176.669 175.510 -0.545 0.000 1.017 197 N CA 1.632 54.474 53.050 -0.346 0.000 0.861 197 N CB -0.242 37.962 38.487 -0.471 0.000 0.986 197 N HN 0.513 nan 8.380 nan 0.000 0.428 198 H N -1.696 117.186 119.070 -0.313 0.000 2.557 198 H HA 0.177 4.733 4.556 -0.000 0.000 0.281 198 H C -0.039 175.282 175.328 -0.012 0.000 0.990 198 H CA 0.036 55.904 56.048 -0.300 0.000 1.278 198 H CB 0.178 29.553 29.762 -0.644 0.000 1.451 198 H HN 0.069 nan 8.280 nan 0.000 0.516 199 F N 2.850 122.725 119.950 -0.126 0.000 2.640 199 F HA 0.207 4.734 4.527 -0.000 0.000 0.354 199 F C 0.920 176.668 175.800 -0.086 0.000 1.213 199 F CA -0.180 57.764 58.000 -0.092 0.000 1.314 199 F CB -0.402 38.552 39.000 -0.077 0.000 1.679 199 F HN -0.093 nan 8.300 nan 0.000 0.622 200 T N -1.182 113.413 114.554 0.069 0.000 2.927 200 T HA 0.328 4.677 4.350 -0.000 0.000 0.286 200 T C 1.422 176.123 174.700 0.003 0.000 1.040 200 T CA -0.331 61.777 62.100 0.012 0.000 1.010 200 T CB 1.462 70.311 68.868 -0.032 0.000 1.177 200 T HN 0.202 nan 8.240 nan 0.000 0.546 201 S N 1.254 116.955 115.700 0.001 0.000 2.353 201 S HA -0.096 4.374 4.470 -0.000 0.000 0.222 201 S C 2.314 176.916 174.600 0.003 0.000 1.035 201 S CA 1.466 59.670 58.200 0.006 0.000 1.025 201 S CB -0.743 62.462 63.200 0.008 0.000 0.902 201 S HN 0.818 nan 8.310 nan 0.000 0.440 202 A N 1.534 124.352 122.820 -0.004 0.000 2.070 202 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 202 A C 1.985 179.568 177.584 -0.002 0.000 1.159 202 A CA 1.166 53.201 52.037 -0.002 0.000 0.656 202 A CB -0.339 18.656 19.000 -0.008 0.000 0.800 202 A HN 0.531 nan 8.150 nan 0.000 0.453 203 R N -1.427 119.068 120.500 -0.009 0.000 2.334 203 R HA 0.368 4.708 4.340 -0.000 0.000 0.216 203 R C 0.152 176.455 176.300 0.006 0.000 0.905 203 R CA -0.029 56.066 56.100 -0.007 0.000 1.064 203 R CB 0.074 30.354 30.300 -0.033 0.000 1.046 203 R HN 0.420 nan 8.270 nan 0.000 0.508 204 M N 0.584 120.188 119.600 0.007 0.000 2.423 204 M HA 0.473 4.953 4.480 -0.000 0.000 0.335 204 M C -0.655 175.665 176.300 0.033 0.000 1.177 204 M CA -0.668 54.643 55.300 0.018 0.000 1.038 204 M CB 2.100 34.700 32.600 -0.000 0.000 1.641 204 M HN 0.005 nan 8.290 nan 0.000 0.455 205 A N 3.300 126.159 122.820 0.065 0.000 2.522 205 A HA 0.576 4.895 4.320 -0.000 0.000 0.285 205 A C -1.015 176.640 177.584 0.120 0.000 1.198 205 A CA -0.639 51.435 52.037 0.062 0.000 0.742 205 A CB 0.553 19.553 19.000 0.000 0.000 1.176 205 A HN 0.663 nan 8.150 nan 0.000 0.444 206 L N 2.325 123.594 121.223 0.076 0.000 2.482 206 L HA 0.343 4.683 4.340 -0.000 0.000 0.273 206 L C -0.086 176.831 176.870 0.079 0.000 1.228 206 L CA 0.759 55.644 54.840 0.075 0.000 0.827 206 L CB 0.257 42.334 42.059 0.029 0.000 1.099 206 L HN 0.549 nan 8.230 nan 0.000 0.494 207 I N 2.086 122.712 120.570 0.093 0.000 2.675 207 I HA 0.301 4.471 4.170 -0.000 0.000 0.284 207 I C -0.005 176.153 176.117 0.068 0.000 1.285 207 I CA -0.321 61.029 61.300 0.084 0.000 1.079 207 I CB 1.037 39.136 38.000 0.165 0.000 1.318 207 I HN 0.601 nan 8.210 nan 0.000 0.439 208 G N 3.786 112.601 108.800 0.026 0.000 2.400 208 G HA2 0.608 4.567 3.960 -0.000 0.000 0.333 208 G HA3 0.608 4.567 3.960 -0.000 0.000 0.333 208 G C -0.095 174.827 174.900 0.036 0.000 1.143 208 G CA -0.330 44.784 45.100 0.023 0.000 0.914 208 G HN 0.559 nan 8.290 nan 0.000 0.480 209 L N 1.173 122.409 121.223 0.021 0.000 2.664 209 L HA 0.473 4.813 4.340 -0.000 0.000 0.233 209 L C 1.510 178.350 176.870 -0.050 0.000 1.113 209 L CA 0.862 55.700 54.840 -0.004 0.000 0.896 209 L CB 0.784 42.840 42.059 -0.004 0.000 1.163 209 L HN 0.675 nan 8.230 nan 0.000 0.497 210 G N -0.817 107.962 108.800 -0.035 0.000 5.129 210 G HA2 0.389 4.349 3.960 -0.000 0.000 0.253 210 G HA3 0.389 4.349 3.960 -0.000 0.000 0.253 210 G C -0.891 173.995 174.900 -0.023 0.000 0.912 210 G CA 0.038 45.111 45.100 -0.045 0.000 0.729 210 G HN -0.026 nan 8.290 nan 0.000 0.373 211 V N 1.273 121.182 119.914 -0.009 0.000 2.919 211 V HA 0.604 4.724 4.120 -0.000 0.000 0.316 211 V C 0.563 176.671 176.094 0.024 0.000 1.077 211 V CA -0.823 61.479 62.300 0.003 0.000 0.977 211 V CB 1.966 33.790 31.823 0.002 0.000 1.039 211 V HN 0.422 nan 8.190 nan 0.000 0.441 212 S N 0.554 116.275 115.700 0.036 0.000 2.510 212 S HA 0.123 4.593 4.470 -0.000 0.000 0.279 212 S C 0.870 175.540 174.600 0.115 0.000 1.284 212 S CA -0.031 58.206 58.200 0.062 0.000 1.059 212 S CB 0.055 63.283 63.200 0.046 0.000 0.901 212 S HN 0.908 nan 8.310 nan 0.000 0.491 213 H N 4.495 123.572 119.070 0.012 0.000 2.357 213 H HA -0.020 4.536 4.556 -0.000 0.000 0.301 213 H C -0.713 174.626 175.328 0.018 0.000 1.082 213 H CA 0.940 56.999 56.048 0.018 0.000 1.342 213 H CB -0.631 29.139 29.762 0.013 0.000 1.389 213 H HN 0.529 nan 8.280 nan 0.000 0.511 214 P HA -0.186 nan 4.420 nan 0.000 0.214 214 P C 1.775 179.120 177.300 0.075 0.000 1.163 214 P CA 1.225 64.345 63.100 0.034 0.000 0.889 214 P CB -0.126 31.578 31.700 0.007 0.000 0.790 215 V N -0.951 119.009 119.914 0.076 0.000 2.667 215 V HA -0.145 3.975 4.120 -0.000 0.000 0.252 215 V C 2.612 178.758 176.094 0.087 0.000 1.065 215 V CA 0.928 63.268 62.300 0.068 0.000 1.083 215 V CB -1.107 30.744 31.823 0.046 0.000 0.692 215 V HN -0.059 nan 8.190 nan 0.000 0.468 216 L N 0.336 121.625 121.223 0.110 0.000 1.976 216 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 216 L C 2.440 179.388 176.870 0.129 0.000 1.071 216 L CA 2.284 57.183 54.840 0.098 0.000 0.746 216 L CB -0.833 41.265 42.059 0.066 0.000 0.890 216 L HN 0.233 nan 8.230 nan 0.000 0.432 217 K N -0.885 119.639 120.400 0.206 0.000 2.015 217 K HA -0.339 3.981 4.320 -0.000 0.000 0.220 217 K C 2.171 178.843 176.600 0.119 0.000 1.055 217 K CA 2.406 58.801 56.287 0.180 0.000 0.951 217 K CB -0.410 32.199 32.500 0.181 0.000 0.725 217 K HN 0.465 nan 8.250 nan 0.000 0.449 218 Q N 0.203 120.061 119.800 0.097 0.000 2.045 218 Q HA -0.254 4.086 4.340 -0.000 0.000 0.215 218 Q C 2.049 178.116 176.000 0.111 0.000 1.026 218 Q CA 2.670 58.520 55.803 0.079 0.000 0.885 218 Q CB -0.393 28.386 28.738 0.069 0.000 0.984 218 Q HN 0.315 nan 8.270 nan 0.000 0.414 219 V N 0.389 120.396 119.914 0.155 0.000 2.287 219 V HA -0.323 3.796 4.120 -0.000 0.000 0.248 219 V C 2.266 178.535 176.094 0.292 0.000 1.053 219 V CA 2.175 64.639 62.300 0.272 0.000 1.027 219 V CB -0.899 31.037 31.823 0.187 0.000 0.646 219 V HN 0.602 nan 8.190 nan 0.000 0.447 220 A N -0.796 122.127 122.820 0.171 0.000 1.917 220 A HA -0.296 4.024 4.320 -0.000 0.000 0.219 220 A C 2.049 179.702 177.584 0.115 0.000 1.182 220 A CA 2.171 54.291 52.037 0.138 0.000 0.633 220 A CB -0.591 18.469 19.000 0.100 0.000 0.819 220 A HN 0.707 nan 8.150 nan 0.000 0.448 221 E N -1.143 119.108 120.200 0.084 0.000 2.110 221 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 221 E C 2.205 178.789 176.600 -0.027 0.000 0.988 221 E CA 1.418 57.838 56.400 0.033 0.000 0.804 221 E CB -0.121 29.593 29.700 0.024 0.000 0.745 221 E HN 0.800 nan 8.360 nan 0.000 0.458 222 Q N -0.805 118.956 119.800 -0.065 0.000 2.212 222 Q HA -0.045 4.295 4.340 -0.000 0.000 0.199 222 Q C 0.927 176.595 176.000 -0.554 0.000 0.950 222 Q CA 1.010 56.609 55.803 -0.341 0.000 0.863 222 Q CB 0.298 28.743 28.738 -0.488 0.000 0.944 222 Q HN 0.202 nan 8.270 nan 0.000 0.465 223 F N -1.652 118.300 119.950 0.003 0.000 2.746 223 F HA 0.248 4.775 4.527 -0.000 0.000 0.313 223 F C 0.571 176.369 175.800 -0.003 0.000 1.095 223 F CA -0.077 57.922 58.000 -0.001 0.000 1.224 223 F CB 0.868 39.865 39.000 -0.006 0.000 1.060 223 F HN -0.094 nan 8.300 nan 0.000 0.584 224 L N 0.708 122.017 121.223 0.143 0.000 3.094 224 L HA 0.281 4.621 4.340 -0.000 0.000 0.254 224 L C -0.068 176.830 176.870 0.047 0.000 1.298 224 L CA -0.007 54.886 54.840 0.087 0.000 1.050 224 L CB -0.334 41.770 42.059 0.074 0.000 1.420 224 L HN -0.012 nan 8.230 nan 0.000 0.548 225 N N 2.097 120.815 118.700 0.029 0.000 2.955 225 N HA 0.421 5.161 4.740 -0.000 0.000 0.242 225 N C -0.945 174.570 175.510 0.009 0.000 1.123 225 N CA -0.071 52.986 53.050 0.012 0.000 0.949 225 N CB 0.339 38.823 38.487 -0.004 0.000 1.214 225 N HN 0.194 nan 8.380 nan 0.000 0.504 226 I N 1.521 122.098 120.570 0.011 0.000 2.608 226 I HA 0.439 4.609 4.170 -0.000 0.000 0.295 226 I C -0.018 176.097 176.117 -0.004 0.000 1.049 226 I CA -1.095 60.208 61.300 0.005 0.000 1.063 226 I CB 1.924 39.931 38.000 0.012 0.000 1.248 226 I HN 0.002 nan 8.210 nan 0.000 0.424 227 R N 2.709 123.203 120.500 -0.010 0.000 2.428 227 R HA 0.801 5.141 4.340 -0.000 0.000 0.294 227 R C -0.285 175.995 176.300 -0.034 0.000 1.000 227 R CA -0.636 55.454 56.100 -0.018 0.000 0.960 227 R CB 1.616 31.908 30.300 -0.013 0.000 1.076 227 R HN 0.902 nan 8.270 nan 0.000 0.475 228 G N 0.437 109.211 108.800 -0.044 0.000 1.895 228 G HA2 0.405 4.365 3.960 -0.000 0.000 0.302 228 G HA3 0.405 4.365 3.960 -0.000 0.000 0.302 228 G C -0.496 174.358 174.900 -0.077 0.000 1.691 228 G CA -0.470 44.586 45.100 -0.074 0.000 0.929 228 G HN 0.716 nan 8.290 nan 0.000 0.629 229 G N 0.236 108.994 108.800 -0.069 0.000 2.599 229 G HA2 0.567 4.527 3.960 -0.000 0.000 0.264 229 G HA3 0.567 4.527 3.960 -0.000 0.000 0.264 229 G C 0.397 175.253 174.900 -0.074 0.000 1.200 229 G CA -0.734 44.334 45.100 -0.052 0.000 0.896 229 G HN 0.741 nan 8.290 nan 0.000 0.536 230 L N 0.080 121.283 121.223 -0.033 0.000 2.418 230 L HA 0.456 4.796 4.340 -0.000 0.000 0.265 230 L C 1.437 178.317 176.870 0.018 0.000 1.143 230 L CA 0.761 55.597 54.840 -0.007 0.000 0.809 230 L CB 1.149 43.240 42.059 0.054 0.000 1.124 230 L HN 0.968 nan 8.230 nan 0.000 0.456 231 G N 2.384 111.228 108.800 0.075 0.000 2.182 231 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.248 231 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.248 231 G C 0.370 175.309 174.900 0.064 0.000 1.042 231 G CA -0.038 45.132 45.100 0.118 0.000 0.775 231 G HN 0.538 nan 8.290 nan 0.000 0.501 232 L N 0.657 121.875 121.223 -0.008 0.000 2.591 232 L HA 0.143 4.483 4.340 -0.000 0.000 0.228 232 L C 2.486 179.410 176.870 0.090 0.000 1.133 232 L CA 1.155 55.990 54.840 -0.008 0.000 0.880 232 L CB 0.028 42.031 42.059 -0.094 0.000 1.033 232 L HN 0.514 nan 8.230 nan 0.000 0.450 233 S N -1.470 114.355 115.700 0.208 0.000 2.499 233 S HA 0.254 4.724 4.470 -0.000 0.000 0.225 233 S C 1.198 175.913 174.600 0.192 0.000 1.050 233 S CA 0.410 58.804 58.200 0.323 0.000 0.928 233 S CB 0.835 64.419 63.200 0.640 0.000 0.803 233 S HN 0.331 nan 8.310 nan 0.000 0.506 234 G N 1.261 110.155 108.800 0.157 0.000 2.857 234 G HA2 0.312 4.272 3.960 -0.000 0.000 0.166 234 G HA3 0.312 4.272 3.960 -0.000 0.000 0.166 234 G C -0.058 174.870 174.900 0.048 0.000 1.060 234 G CA -0.471 44.679 45.100 0.083 0.000 0.976 234 G HN 0.948 nan 8.290 nan 0.000 0.549 235 A N 0.496 123.354 122.820 0.063 0.000 2.445 235 A HA 0.866 5.186 4.320 -0.000 0.000 0.242 235 A C 0.628 178.211 177.584 -0.002 0.000 1.075 235 A CA 1.297 53.337 52.037 0.005 0.000 0.777 235 A CB 0.822 19.874 19.000 0.086 0.000 1.013 235 A HN 1.999 nan 8.150 nan 0.000 0.493 236 K N -0.268 120.114 120.400 -0.030 0.000 3.189 236 K HA 0.448 4.767 4.320 -0.000 0.000 0.368 236 K C -1.311 175.285 176.600 -0.007 0.000 1.185 236 K CA -0.061 56.225 56.287 -0.002 0.000 0.941 236 K CB -0.273 32.234 32.500 0.011 0.000 1.325 236 K HN 1.652 nan 8.250 nan 0.000 0.411 237 A N 2.382 125.221 122.820 0.032 0.000 2.346 237 A HA 0.927 5.247 4.320 -0.000 0.000 0.313 237 A C -1.276 176.383 177.584 0.124 0.000 1.140 237 A CA -0.454 51.624 52.037 0.069 0.000 0.826 237 A CB 1.872 20.926 19.000 0.091 0.000 1.332 237 A HN 0.600 nan 8.150 nan 0.000 0.457 238 K N -0.165 120.372 120.400 0.229 0.000 2.622 238 K HA 0.230 4.550 4.320 -0.000 0.000 0.263 238 K C -2.534 174.251 176.600 0.308 0.000 0.947 238 K CA -0.403 56.017 56.287 0.222 0.000 0.885 238 K CB 1.373 33.955 32.500 0.137 0.000 1.362 238 K HN 0.822 nan 8.250 nan 0.000 0.413 239 Y N 4.011 124.338 120.300 0.045 0.000 2.446 239 Y HA 0.543 5.093 4.550 -0.000 0.000 0.338 239 Y C -1.113 174.765 175.900 -0.037 0.000 1.055 239 Y CA -0.450 57.561 58.100 -0.149 0.000 1.101 239 Y CB 1.224 39.537 38.460 -0.246 0.000 1.221 239 Y HN 0.587 nan 8.280 nan 0.000 0.460 240 H N 4.094 122.607 119.070 -0.928 0.000 3.149 240 H HA 0.369 4.925 4.556 -0.000 0.000 0.334 240 H C -1.077 173.726 175.328 -0.875 0.000 1.000 240 H CA -0.435 55.218 56.048 -0.658 0.000 1.415 240 H CB 1.188 30.767 29.762 -0.305 0.000 1.819 240 H HN 1.066 nan 8.280 nan 0.000 0.486 241 G N 2.123 110.242 108.800 -1.135 0.000 2.365 241 G HA2 0.462 4.422 3.960 -0.000 0.000 0.249 241 G HA3 0.462 4.422 3.960 -0.000 0.000 0.249 241 G C -0.031 174.300 174.900 -0.949 0.000 1.288 241 G CA 0.353 44.948 45.100 -0.841 0.000 0.887 241 G HN 0.810 nan 8.290 nan 0.000 0.524 242 G N 1.326 109.772 108.800 -0.589 0.000 2.623 242 G HA2 0.662 4.622 3.960 -0.000 0.000 0.290 242 G HA3 0.662 4.622 3.960 -0.000 0.000 0.290 242 G C -1.224 173.574 174.900 -0.170 0.000 1.437 242 G CA -0.799 44.100 45.100 -0.334 0.000 0.798 242 G HN 0.806 nan 8.290 nan 0.000 0.488 243 E N -0.091 120.054 120.200 -0.090 0.000 2.241 243 E HA 0.619 4.969 4.350 -0.000 0.000 0.263 243 E C -1.297 175.266 176.600 -0.062 0.000 0.882 243 E CA -0.860 55.486 56.400 -0.091 0.000 0.769 243 E CB 2.472 32.111 29.700 -0.102 0.000 1.185 243 E HN 0.352 nan 8.360 nan 0.000 0.415 244 I N 2.911 123.439 120.570 -0.069 0.000 2.362 244 I HA 0.381 4.551 4.170 -0.000 0.000 0.289 244 I C -0.177 175.900 176.117 -0.066 0.000 0.994 244 I CA -0.738 60.537 61.300 -0.042 0.000 1.158 244 I CB 1.401 39.386 38.000 -0.025 0.000 1.315 244 I HN 0.380 nan 8.210 nan 0.000 0.451 245 R N 4.855 125.321 120.500 -0.056 0.000 2.393 245 R HA 0.350 4.690 4.340 -0.000 0.000 0.315 245 R C -0.716 175.565 176.300 -0.031 0.000 0.952 245 R CA -0.624 55.429 56.100 -0.079 0.000 0.842 245 R CB 1.960 32.181 30.300 -0.130 0.000 1.163 245 R HN 0.518 nan 8.270 nan 0.000 0.450 246 E N 3.072 123.258 120.200 -0.023 0.000 2.063 246 E HA 0.050 4.400 4.350 -0.000 0.000 0.265 246 E C -1.033 175.551 176.600 -0.028 0.000 0.919 246 E CA -0.540 55.855 56.400 -0.008 0.000 0.756 246 E CB 1.193 30.906 29.700 0.022 0.000 1.120 246 E HN 0.358 nan 8.360 nan 0.000 0.414 247 Q N 3.143 122.929 119.800 -0.024 0.000 2.352 247 Q HA 0.157 4.497 4.340 -0.000 0.000 0.260 247 Q C -0.838 175.141 176.000 -0.035 0.000 0.976 247 Q CA 0.251 56.037 55.803 -0.027 0.000 0.881 247 Q CB 0.704 29.433 28.738 -0.015 0.000 1.235 247 Q HN 0.394 nan 8.270 nan 0.000 0.419 248 N N 0.652 119.331 118.700 -0.035 0.000 3.283 248 N HA 0.607 5.347 4.740 -0.000 0.000 0.338 248 N C -0.420 175.071 175.510 -0.032 0.000 1.517 248 N CA -0.019 53.008 53.050 -0.039 0.000 0.733 248 N CB 1.350 39.812 38.487 -0.040 0.000 1.797 248 N HN 0.584 nan 8.380 nan 0.000 0.637 249 G N -1.416 107.366 108.800 -0.030 0.000 3.104 249 G HA2 0.018 3.978 3.960 -0.000 0.000 0.237 249 G HA3 0.018 3.978 3.960 -0.000 0.000 0.237 249 G C -0.211 174.676 174.900 -0.021 0.000 1.035 249 G CA -0.018 45.067 45.100 -0.025 0.000 0.844 249 G HN 0.465 nan 8.290 nan 0.000 0.531 250 D N 1.571 121.961 120.400 -0.017 0.000 2.455 250 D HA 0.062 4.702 4.640 -0.000 0.000 0.241 250 D C 2.057 178.356 176.300 -0.002 0.000 1.138 250 D CA 0.621 54.618 54.000 -0.004 0.000 0.877 250 D CB 1.578 42.382 40.800 0.006 0.000 1.187 250 D HN 0.145 nan 8.370 nan 0.000 0.451 251 S N 4.436 120.137 115.700 0.002 0.000 2.359 251 S HA -0.182 4.288 4.470 -0.000 0.000 0.222 251 S C 1.370 175.976 174.600 0.010 0.000 1.038 251 S CA 0.677 58.875 58.200 -0.003 0.000 1.051 251 S CB -0.541 62.661 63.200 0.004 0.000 0.944 251 S HN 0.531 nan 8.310 nan 0.000 0.433 252 L N 1.517 122.766 121.223 0.042 0.000 2.453 252 L HA 0.595 4.935 4.340 -0.000 0.000 0.261 252 L C 0.112 177.041 176.870 0.098 0.000 1.179 252 L CA -0.614 54.270 54.840 0.072 0.000 0.813 252 L CB 1.031 43.154 42.059 0.106 0.000 1.110 252 L HN 0.306 nan 8.230 nan 0.000 0.466 253 V N 1.657 121.634 119.914 0.103 0.000 2.588 253 V HA 0.445 4.565 4.120 -0.000 0.000 0.304 253 V C -0.673 175.519 176.094 0.164 0.000 1.042 253 V CA -0.318 62.049 62.300 0.110 0.000 0.877 253 V CB 1.760 33.601 31.823 0.030 0.000 0.996 253 V HN 0.688 nan 8.190 nan 0.000 0.425 254 H N 4.515 123.568 119.070 -0.028 0.000 2.529 254 H HA 0.874 5.430 4.556 -0.000 0.000 0.348 254 H C -0.229 174.958 175.328 -0.234 0.000 1.152 254 H CA -0.361 55.637 56.048 -0.083 0.000 1.202 254 H CB 2.264 32.024 29.762 -0.004 0.000 1.562 254 H HN 0.992 nan 8.280 nan 0.000 0.515 255 A N 1.210 123.857 122.820 -0.288 0.000 2.574 255 A HA 0.667 4.987 4.320 -0.000 0.000 0.297 255 A C -1.460 175.790 177.584 -0.557 0.000 1.062 255 A CA -0.401 51.426 52.037 -0.350 0.000 0.686 255 A CB 1.583 20.462 19.000 -0.201 0.000 1.285 255 A HN 0.747 nan 8.150 nan 0.000 0.403 256 A N 0.668 123.191 122.820 -0.494 0.000 2.355 256 A HA 0.828 5.148 4.320 -0.000 0.000 0.324 256 A C -1.436 175.916 177.584 -0.386 0.000 1.117 256 A CA -0.492 51.252 52.037 -0.488 0.000 0.785 256 A CB 1.264 20.007 19.000 -0.428 0.000 1.254 256 A HN 1.597 nan 8.150 nan 0.000 0.453 257 L N 2.486 123.430 121.223 -0.465 0.000 2.404 257 L HA 0.699 5.039 4.340 -0.000 0.000 0.272 257 L C -1.233 175.618 176.870 -0.033 0.000 0.980 257 L CA -0.306 54.343 54.840 -0.319 0.000 0.836 257 L CB 1.573 43.364 42.059 -0.446 0.000 1.238 257 L HN 0.474 nan 8.230 nan 0.000 0.408 258 V N 3.648 123.614 119.914 0.086 0.000 2.851 258 V HA 0.937 5.057 4.120 -0.000 0.000 0.307 258 V C -0.449 175.741 176.094 0.160 0.000 1.129 258 V CA -0.379 62.072 62.300 0.251 0.000 0.932 258 V CB 1.763 33.715 31.823 0.215 0.000 1.024 258 V HN 0.911 nan 8.190 nan 0.000 0.426 259 A N 2.419 125.348 122.820 0.182 0.000 2.423 259 A HA 0.764 5.083 4.320 -0.000 0.000 0.304 259 A C -0.227 177.255 177.584 -0.171 0.000 1.104 259 A CA -0.703 51.301 52.037 -0.055 0.000 0.757 259 A CB 1.259 20.152 19.000 -0.177 0.000 1.313 259 A HN 0.882 nan 8.150 nan 0.000 0.423 260 E N 1.050 120.872 120.200 -0.629 0.000 2.905 260 E HA 0.082 4.432 4.350 -0.000 0.000 0.240 260 E C 0.657 177.028 176.600 -0.383 0.000 0.990 260 E CA 0.360 56.360 56.400 -0.666 0.000 0.954 260 E CB 0.237 29.426 29.700 -0.851 0.000 0.908 260 E HN 0.671 nan 8.360 nan 0.000 0.532 261 S N 3.333 118.815 115.700 -0.364 0.000 2.626 261 S HA 0.468 4.938 4.470 -0.000 0.000 0.257 261 S C 0.060 174.302 174.600 -0.598 0.000 1.288 261 S CA -0.152 57.597 58.200 -0.752 0.000 0.980 261 S CB 1.043 63.898 63.200 -0.575 0.000 0.975 261 S HN 0.574 nan 8.310 nan 0.000 0.577 262 A N 0.781 123.156 122.820 -0.741 0.000 2.287 262 A HA 0.727 5.047 4.320 -0.000 0.000 0.273 262 A C 0.663 178.222 177.584 -0.042 0.000 1.091 262 A CA -0.186 51.808 52.037 -0.072 0.000 0.817 262 A CB -0.290 18.905 19.000 0.325 0.000 1.069 262 A HN 1.419 nan 8.150 nan 0.000 0.492 263 A N 0.286 123.121 122.820 0.025 0.000 2.366 263 A HA 0.450 4.770 4.320 -0.000 0.000 0.250 263 A C 0.444 178.047 177.584 0.032 0.000 1.099 263 A CA -0.257 51.803 52.037 0.039 0.000 0.794 263 A CB -0.173 18.858 19.000 0.052 0.000 1.056 263 A HN 1.055 nan 8.150 nan 0.000 0.499 264 I N 0.566 121.155 120.570 0.031 0.000 2.683 264 I HA 0.336 4.506 4.170 -0.000 0.000 0.286 264 I C 1.395 177.519 176.117 0.012 0.000 1.175 264 I CA 1.698 63.007 61.300 0.014 0.000 1.429 264 I CB 0.280 38.293 38.000 0.022 0.000 1.371 264 I HN 1.180 nan 8.210 nan 0.000 0.569 265 G N 4.282 113.082 108.800 0.001 0.000 2.341 265 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.292 265 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.292 265 G C 0.139 175.036 174.900 -0.005 0.000 1.021 265 G CA 0.506 45.600 45.100 -0.010 0.000 0.905 265 G HN 0.656 nan 8.290 nan 0.000 0.508 266 S N -1.545 114.161 115.700 0.010 0.000 2.648 266 S HA 0.801 5.270 4.470 -0.000 0.000 0.305 266 S C 1.485 176.094 174.600 0.016 0.000 1.094 266 S CA 0.173 58.382 58.200 0.015 0.000 0.983 266 S CB 1.816 65.035 63.200 0.032 0.000 1.101 266 S HN 1.180 nan 8.310 nan 0.000 0.514 267 A N 1.434 124.257 122.820 0.006 0.000 1.845 267 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 267 A C 1.748 179.333 177.584 0.000 0.000 1.195 267 A CA 1.751 53.783 52.037 -0.008 0.000 0.616 267 A CB -0.988 17.999 19.000 -0.021 0.000 0.832 267 A HN 0.911 nan 8.150 nan 0.000 0.443 268 E N -0.371 119.841 120.200 0.020 0.000 2.095 268 E HA -0.315 4.035 4.350 -0.000 0.000 0.212 268 E C 2.329 179.037 176.600 0.179 0.000 1.044 268 E CA 1.351 57.778 56.400 0.045 0.000 0.857 268 E CB -0.464 29.325 29.700 0.147 0.000 0.764 268 E HN 0.615 nan 8.360 nan 0.000 0.462 269 A N 1.925 124.885 122.820 0.234 0.000 1.863 269 A HA -0.355 3.964 4.320 -0.000 0.000 0.218 269 A C 2.023 179.725 177.584 0.195 0.000 1.233 269 A CA 2.168 54.357 52.037 0.252 0.000 0.655 269 A CB -1.080 17.978 19.000 0.097 0.000 0.839 269 A HN 0.242 nan 8.150 nan 0.000 0.454 270 N N 0.138 118.884 118.700 0.078 0.000 2.049 270 N HA -0.244 4.496 4.740 -0.000 0.000 0.198 270 N C 1.891 177.407 175.510 0.010 0.000 1.030 270 N CA 2.302 55.370 53.050 0.029 0.000 0.870 270 N CB -0.723 37.757 38.487 -0.012 0.000 1.045 270 N HN 0.488 nan 8.380 nan 0.000 0.434 271 A N 0.574 123.365 122.820 -0.049 0.000 1.863 271 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 271 A C 2.228 179.708 177.584 -0.174 0.000 1.233 271 A CA 2.030 53.972 52.037 -0.158 0.000 0.655 271 A CB -1.491 17.330 19.000 -0.298 0.000 0.839 271 A HN 0.348 nan 8.150 nan 0.000 0.454 272 F N 0.955 120.815 119.950 -0.149 0.000 2.048 272 F HA -0.314 4.213 4.527 -0.000 0.000 0.296 272 F C 2.913 178.643 175.800 -0.116 0.000 1.109 272 F CA 2.131 59.980 58.000 -0.251 0.000 1.214 272 F CB -1.043 37.811 39.000 -0.245 0.000 0.963 272 F HN 0.231 nan 8.300 nan 0.000 0.491 273 S N 0.212 116.020 115.700 0.179 0.000 2.390 273 S HA -0.261 4.209 4.470 -0.000 0.000 0.234 273 S C 2.150 176.866 174.600 0.194 0.000 1.063 273 S CA 1.863 60.160 58.200 0.162 0.000 1.108 273 S CB -1.116 62.165 63.200 0.135 0.000 0.975 273 S HN 0.229 nan 8.310 nan 0.000 0.442 274 V N 1.988 121.976 119.914 0.123 0.000 2.427 274 V HA -0.101 4.018 4.120 -0.000 0.000 0.248 274 V C 2.245 178.401 176.094 0.104 0.000 1.051 274 V CA 1.574 63.945 62.300 0.119 0.000 1.048 274 V CB -0.934 30.903 31.823 0.023 0.000 0.666 274 V HN 0.416 nan 8.190 nan 0.000 0.456 275 L N 0.644 121.875 121.223 0.013 0.000 2.027 275 L HA -0.181 4.159 4.340 -0.000 0.000 0.206 275 L C 2.508 179.460 176.870 0.136 0.000 1.074 275 L CA 2.435 57.272 54.840 -0.006 0.000 0.745 275 L CB -1.087 40.861 42.059 -0.185 0.000 0.898 275 L HN 0.463 nan 8.230 nan 0.000 0.433 276 Q N -0.980 118.955 119.800 0.225 0.000 2.047 276 Q HA -0.346 3.994 4.340 -0.000 0.000 0.211 276 Q C 2.222 178.297 176.000 0.125 0.000 1.005 276 Q CA 2.487 58.494 55.803 0.340 0.000 0.866 276 Q CB -0.528 28.337 28.738 0.212 0.000 0.938 276 Q HN 0.688 nan 8.270 nan 0.000 0.414 277 H N -0.665 118.494 119.070 0.148 0.000 2.457 277 H HA -0.091 4.465 4.556 -0.000 0.000 0.297 277 H C 2.204 177.591 175.328 0.098 0.000 1.092 277 H CA 1.515 57.631 56.048 0.115 0.000 1.309 277 H CB 0.026 29.842 29.762 0.090 0.000 1.382 277 H HN 0.205 nan 8.280 nan 0.000 0.535 278 V N 0.665 120.695 119.914 0.194 0.000 2.490 278 V HA -0.212 3.908 4.120 -0.000 0.000 0.250 278 V C 2.348 178.508 176.094 0.110 0.000 1.061 278 V CA 1.405 63.780 62.300 0.125 0.000 1.064 278 V CB -0.302 31.568 31.823 0.079 0.000 0.670 278 V HN 0.211 nan 8.190 nan 0.000 0.461 279 L N -0.498 120.794 121.223 0.115 0.000 2.537 279 L HA 0.389 4.729 4.340 -0.000 0.000 0.224 279 L C 1.666 178.592 176.870 0.095 0.000 1.065 279 L CA 0.580 55.474 54.840 0.089 0.000 0.860 279 L CB -0.557 41.543 42.059 0.069 0.000 1.086 279 L HN 0.325 nan 8.230 nan 0.000 0.482 280 G N 0.860 109.716 108.800 0.093 0.000 2.138 280 G HA2 0.239 4.199 3.960 -0.000 0.000 0.256 280 G HA3 0.239 4.199 3.960 -0.000 0.000 0.256 280 G C 0.179 175.119 174.900 0.067 0.000 1.141 280 G CA 0.386 45.517 45.100 0.051 0.000 0.967 280 G HN 0.310 nan 8.290 nan 0.000 0.435 281 A N 3.263 126.114 122.820 0.052 0.000 3.056 281 A HA 0.659 4.979 4.320 -0.000 0.000 0.328 281 A C 0.811 178.361 177.584 -0.058 0.000 1.233 281 A CA -0.015 52.029 52.037 0.010 0.000 0.965 281 A CB 0.339 19.393 19.000 0.090 0.000 1.123 281 A HN 1.168 nan 8.150 nan 0.000 0.502 282 G N 2.674 111.402 108.800 -0.120 0.000 2.607 282 G HA2 0.526 4.486 3.960 -0.000 0.000 0.332 282 G HA3 0.526 4.486 3.960 -0.000 0.000 0.332 282 G C -2.389 172.269 174.900 -0.403 0.000 1.046 282 G CA -1.405 43.588 45.100 -0.179 0.000 1.099 282 G HN 0.406 nan 8.290 nan 0.000 0.451 283 P HA -0.127 nan 4.420 nan 0.000 0.260 283 P C 0.045 177.132 177.300 -0.356 0.000 1.147 283 P CA 0.458 63.362 63.100 -0.326 0.000 0.758 283 P CB 0.563 32.148 31.700 -0.192 0.000 0.744 284 H N 0.172 119.225 119.070 -0.028 0.000 2.586 284 H HA 0.247 4.803 4.556 -0.000 0.000 0.273 284 H C 0.240 175.556 175.328 -0.019 0.000 0.997 284 H CA 0.123 56.164 56.048 -0.012 0.000 1.177 284 H CB 0.796 30.555 29.762 -0.004 0.000 1.471 284 H HN 0.105 nan 8.280 nan 0.000 0.538 285 V N 1.906 121.843 119.914 0.037 0.000 2.569 285 V HA 0.081 4.201 4.120 -0.000 0.000 0.301 285 V C 0.218 176.301 176.094 -0.018 0.000 1.044 285 V CA -1.221 61.089 62.300 0.016 0.000 0.874 285 V CB 2.973 34.804 31.823 0.012 0.000 1.002 285 V HN 0.090 nan 8.190 nan 0.000 0.424 286 K N 4.505 124.899 120.400 -0.011 0.000 2.453 286 K HA 0.153 4.473 4.320 -0.000 0.000 0.280 286 K C 0.854 177.440 176.600 -0.024 0.000 1.045 286 K CA 0.391 56.667 56.287 -0.018 0.000 1.059 286 K CB 0.029 32.523 32.500 -0.009 0.000 0.901 286 K HN 0.684 nan 8.250 nan 0.000 0.475 287 R N 0.507 120.987 120.500 -0.034 0.000 3.922 287 R HA -0.158 4.182 4.340 -0.000 0.000 0.447 287 R C 0.377 176.651 176.300 -0.044 0.000 1.035 287 R CA 0.971 57.050 56.100 -0.034 0.000 1.289 287 R CB -1.816 28.471 30.300 -0.021 0.000 1.906 287 R HN 0.812 nan 8.270 nan 0.000 0.540 288 G N 0.661 109.429 108.800 -0.053 0.000 2.400 288 G HA2 0.488 4.448 3.960 -0.000 0.000 0.301 288 G HA3 0.488 4.448 3.960 -0.000 0.000 0.301 288 G C 0.005 174.838 174.900 -0.113 0.000 1.154 288 G CA 0.123 45.187 45.100 -0.061 0.000 0.852 288 G HN 0.164 nan 8.290 nan 0.000 0.511 289 S N 1.155 116.784 115.700 -0.119 0.000 2.565 289 S HA 0.433 4.902 4.470 -0.000 0.000 0.290 289 S C -0.179 174.302 174.600 -0.199 0.000 1.150 289 S CA -1.126 56.949 58.200 -0.210 0.000 1.058 289 S CB 1.568 64.691 63.200 -0.127 0.000 1.032 289 S HN 0.502 nan 8.310 nan 0.000 0.510 290 N N 0.852 119.346 118.700 -0.342 0.000 2.514 290 N HA 0.417 5.157 4.740 -0.000 0.000 0.277 290 N C 0.648 176.123 175.510 -0.058 0.000 1.126 290 N CA -0.146 52.800 53.050 -0.173 0.000 0.978 290 N CB 1.529 39.897 38.487 -0.198 0.000 1.106 290 N HN 0.827 nan 8.380 nan 0.000 0.461 291 A N 1.460 124.281 122.820 0.001 0.000 2.085 291 A HA 0.008 4.328 4.320 -0.000 0.000 0.208 291 A C 1.730 179.344 177.584 0.050 0.000 1.191 291 A CA 0.576 52.633 52.037 0.034 0.000 0.799 291 A CB -0.228 18.788 19.000 0.026 0.000 0.877 291 A HN 0.631 nan 8.150 nan 0.000 0.473 292 T N 0.656 115.241 114.554 0.052 0.000 2.777 292 T HA -0.028 4.322 4.350 -0.000 0.000 0.266 292 T C 1.088 175.837 174.700 0.081 0.000 1.040 292 T CA 1.064 63.203 62.100 0.066 0.000 1.141 292 T CB -0.471 68.448 68.868 0.084 0.000 0.868 292 T HN 0.298 nan 8.240 nan 0.000 0.444 293 S N 2.343 118.095 115.700 0.087 0.000 2.507 293 S HA 0.155 4.625 4.470 -0.000 0.000 0.299 293 S C 1.355 176.036 174.600 0.134 0.000 1.214 293 S CA -0.413 57.856 58.200 0.115 0.000 1.137 293 S CB 0.591 63.863 63.200 0.120 0.000 1.009 293 S HN 0.281 nan 8.310 nan 0.000 0.512 294 S N 2.971 118.730 115.700 0.097 0.000 2.344 294 S HA -0.098 4.371 4.470 -0.000 0.000 0.217 294 S C 1.957 176.599 174.600 0.070 0.000 1.033 294 S CA 0.814 59.057 58.200 0.071 0.000 1.017 294 S CB -0.327 62.898 63.200 0.041 0.000 0.941 294 S HN 0.600 nan 8.310 nan 0.000 0.430 295 L N 0.675 121.927 121.223 0.049 0.000 1.991 295 L HA -0.202 4.138 4.340 -0.000 0.000 0.221 295 L C 2.010 178.922 176.870 0.071 0.000 1.079 295 L CA 2.006 56.848 54.840 0.004 0.000 0.778 295 L CB -1.255 40.792 42.059 -0.020 0.000 0.893 295 L HN 0.408 nan 8.230 nan 0.000 0.437 296 Y N -0.605 119.730 120.300 0.058 0.000 2.081 296 Y HA -0.365 4.185 4.550 -0.000 0.000 0.280 296 Y C 2.697 178.677 175.900 0.134 0.000 1.163 296 Y CA 1.999 60.177 58.100 0.130 0.000 1.135 296 Y CB -0.121 38.391 38.460 0.087 0.000 0.970 296 Y HN 0.289 nan 8.280 nan 0.000 0.498 297 Q N 0.055 120.003 119.800 0.247 0.000 1.956 297 Q HA -0.242 4.098 4.340 -0.000 0.000 0.208 297 Q C 2.592 178.631 176.000 0.065 0.000 0.998 297 Q CA 1.839 57.736 55.803 0.156 0.000 0.855 297 Q CB -1.479 27.330 28.738 0.118 0.000 0.928 297 Q HN 0.570 nan 8.270 nan 0.000 0.418 298 A N 0.230 123.066 122.820 0.026 0.000 1.869 298 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 298 A C 2.456 179.995 177.584 -0.076 0.000 1.203 298 A CA 2.422 54.445 52.037 -0.023 0.000 0.638 298 A CB -1.188 17.791 19.000 -0.036 0.000 0.831 298 A HN 0.228 nan 8.150 nan 0.000 0.450 299 V N -0.218 119.625 119.914 -0.118 0.000 2.231 299 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 299 V C 3.084 178.970 176.094 -0.346 0.000 1.054 299 V CA 2.388 64.534 62.300 -0.256 0.000 1.015 299 V CB -1.526 30.129 31.823 -0.281 0.000 0.638 299 V HN 0.715 nan 8.190 nan 0.000 0.444 300 A N -0.372 122.349 122.820 -0.164 0.000 1.896 300 A HA -0.371 3.949 4.320 -0.000 0.000 0.220 300 A C 2.267 179.841 177.584 -0.018 0.000 1.206 300 A CA 2.735 54.821 52.037 0.082 0.000 0.647 300 A CB -0.672 18.474 19.000 0.244 0.000 0.828 300 A HN 0.583 nan 8.150 nan 0.000 0.455 301 K N -1.451 118.941 120.400 -0.014 0.000 2.032 301 K HA -0.131 4.189 4.320 -0.000 0.000 0.209 301 K C 1.971 178.543 176.600 -0.047 0.000 1.048 301 K CA 1.339 57.619 56.287 -0.012 0.000 0.927 301 K CB -0.484 32.015 32.500 -0.002 0.000 0.712 301 K HN 0.505 nan 8.250 nan 0.000 0.441 302 G N 0.343 109.090 108.800 -0.088 0.000 2.813 302 G HA2 0.045 4.005 3.960 -0.000 0.000 0.209 302 G HA3 0.045 4.005 3.960 -0.000 0.000 0.209 302 G C 0.419 175.238 174.900 -0.134 0.000 1.150 302 G CA -0.000 45.044 45.100 -0.092 0.000 0.785 302 G HN -0.003 nan 8.290 nan 0.000 0.535 303 V N -0.658 119.121 119.914 -0.226 0.000 3.096 303 V HA 0.368 4.488 4.120 -0.000 0.000 0.319 303 V C 0.502 176.539 176.094 -0.096 0.000 1.082 303 V CA -1.138 60.972 62.300 -0.317 0.000 1.022 303 V CB 1.694 32.947 31.823 -0.949 0.000 1.103 303 V HN 0.386 nan 8.190 nan 0.000 0.455 304 H N 0.229 119.244 119.070 -0.091 0.000 2.465 304 H HA 0.123 4.678 4.556 -0.000 0.000 0.367 304 H C 1.129 176.598 175.328 0.235 0.000 1.737 304 H CA 0.769 56.856 56.048 0.066 0.000 1.447 304 H CB 0.557 30.362 29.762 0.072 0.000 1.620 304 H HN 0.677 nan 8.280 nan 0.000 0.587 305 Q N 0.224 119.715 119.800 -0.516 0.000 1.806 305 Q HA 0.026 4.366 4.340 -0.000 0.000 0.277 305 Q C -1.513 174.601 176.000 0.189 0.000 0.993 305 Q CA 0.432 56.142 55.803 -0.154 0.000 0.888 305 Q CB -1.480 27.061 28.738 -0.328 0.000 0.941 305 Q HN 0.547 nan 8.270 nan 0.000 0.420 306 P HA 0.051 nan 4.420 nan 0.000 0.271 306 P C -0.986 176.517 177.300 0.339 0.000 1.233 306 P CA 0.656 63.889 63.100 0.222 0.000 0.764 306 P CB -0.026 31.788 31.700 0.190 0.000 0.825 307 F N -0.078 119.916 119.950 0.074 0.000 2.842 307 F HA 0.699 5.226 4.527 -0.000 0.000 0.319 307 F C -2.232 173.598 175.800 0.050 0.000 1.159 307 F CA -0.988 57.032 58.000 0.033 0.000 0.902 307 F CB 1.184 40.179 39.000 -0.008 0.000 1.311 307 F HN 0.167 nan 8.300 nan 0.000 0.453 308 D N 0.801 121.318 120.400 0.196 0.000 2.736 308 D HA 0.690 5.330 4.640 -0.000 0.000 0.223 308 D C -1.991 174.477 176.300 0.279 0.000 1.231 308 D CA -0.197 53.905 54.000 0.171 0.000 0.818 308 D CB 2.918 43.779 40.800 0.101 0.000 1.587 308 D HN 0.677 nan 8.370 nan 0.000 0.463 309 V N 1.342 121.449 119.914 0.321 0.000 3.000 309 V HA 0.625 4.745 4.120 -0.000 0.000 0.300 309 V C -0.809 175.447 176.094 0.271 0.000 1.251 309 V CA -0.658 61.817 62.300 0.292 0.000 0.972 309 V CB 1.977 33.948 31.823 0.246 0.000 1.065 309 V HN 0.670 nan 8.190 nan 0.000 0.431 310 S N 3.142 118.992 115.700 0.251 0.000 2.540 310 S HA 0.854 5.323 4.470 -0.000 0.000 0.275 310 S C -0.381 174.348 174.600 0.216 0.000 1.123 310 S CA 0.010 58.325 58.200 0.191 0.000 0.907 310 S CB 1.958 65.228 63.200 0.117 0.000 1.081 310 S HN 1.871 nan 8.310 nan 0.000 0.476 311 A N 3.204 126.105 122.820 0.134 0.000 2.524 311 A HA 0.510 4.830 4.320 -0.000 0.000 0.250 311 A C -0.460 177.176 177.584 0.085 0.000 1.078 311 A CA -0.108 51.971 52.037 0.069 0.000 0.761 311 A CB -0.568 18.442 19.000 0.016 0.000 1.012 311 A HN 1.016 nan 8.150 nan 0.000 0.500 312 F N 2.995 122.867 119.950 -0.130 0.000 2.422 312 F HA 0.606 5.132 4.527 -0.000 0.000 0.333 312 F C -0.087 175.626 175.800 -0.145 0.000 1.095 312 F CA -0.941 57.008 58.000 -0.083 0.000 1.038 312 F CB 1.483 40.487 39.000 0.006 0.000 1.156 312 F HN 0.625 nan 8.300 nan 0.000 0.483 313 N N 4.052 122.269 118.700 -0.806 0.000 2.616 313 N HA 0.583 5.323 4.740 -0.000 0.000 0.281 313 N C -2.146 173.017 175.510 -0.578 0.000 1.145 313 N CA -0.286 52.478 53.050 -0.477 0.000 0.919 313 N CB 1.556 40.017 38.487 -0.044 0.000 1.509 313 N HN 0.822 nan 8.380 nan 0.000 0.537 314 A N 2.187 124.691 122.820 -0.527 0.000 2.342 314 A HA 0.796 5.116 4.320 -0.000 0.000 0.323 314 A C -0.745 176.663 177.584 -0.293 0.000 1.125 314 A CA -0.609 51.196 52.037 -0.386 0.000 0.785 314 A CB 1.307 20.209 19.000 -0.165 0.000 1.221 314 A HN 0.652 nan 8.150 nan 0.000 0.463 315 S N 1.778 117.216 115.700 -0.437 0.000 2.571 315 S HA 0.791 5.261 4.470 -0.000 0.000 0.284 315 S C -1.408 172.918 174.600 -0.456 0.000 1.128 315 S CA -0.383 57.640 58.200 -0.295 0.000 0.970 315 S CB 0.470 63.582 63.200 -0.146 0.000 1.039 315 S HN 0.563 nan 8.310 nan 0.000 0.485 316 Y N 1.385 121.707 120.300 0.038 0.000 2.662 316 Y HA 0.440 4.990 4.550 -0.000 0.000 0.335 316 Y C 1.951 177.869 175.900 0.030 0.000 1.066 316 Y CA -0.391 57.730 58.100 0.036 0.000 1.116 316 Y CB 1.050 39.527 38.460 0.027 0.000 1.308 316 Y HN 0.726 nan 8.280 nan 0.000 0.502 317 S N 0.200 116.027 115.700 0.212 0.000 2.368 317 S HA -0.236 4.234 4.470 -0.000 0.000 0.226 317 S C 0.698 175.361 174.600 0.104 0.000 1.044 317 S CA 2.204 60.477 58.200 0.122 0.000 1.062 317 S CB -0.519 62.747 63.200 0.109 0.000 0.931 317 S HN 0.806 nan 8.310 nan 0.000 0.440 318 D N 0.255 120.721 120.400 0.111 0.000 2.501 318 D HA 0.457 5.096 4.640 -0.000 0.000 0.224 318 D C 0.362 176.740 176.300 0.131 0.000 1.202 318 D CA 0.325 54.382 54.000 0.095 0.000 0.829 318 D CB 0.246 41.087 40.800 0.068 0.000 1.023 318 D HN 0.486 nan 8.370 nan 0.000 0.499 319 S N -1.587 114.216 115.700 0.172 0.000 2.688 319 S HA 0.572 5.042 4.470 -0.000 0.000 0.269 319 S C -1.123 173.624 174.600 0.245 0.000 1.060 319 S CA -0.400 57.921 58.200 0.201 0.000 0.844 319 S CB 0.874 64.253 63.200 0.299 0.000 1.095 319 S HN 0.355 nan 8.310 nan 0.000 0.466 320 G N 0.050 108.940 108.800 0.149 0.000 2.818 320 G HA2 0.784 4.743 3.960 -0.000 0.000 0.286 320 G HA3 0.784 4.743 3.960 -0.000 0.000 0.286 320 G C -1.926 173.023 174.900 0.080 0.000 1.364 320 G CA -0.830 44.330 45.100 0.099 0.000 0.938 320 G HN 0.910 nan 8.290 nan 0.000 0.490 321 L N 0.230 121.486 121.223 0.054 0.000 2.476 321 L HA 0.537 4.877 4.340 -0.000 0.000 0.269 321 L C -1.552 175.345 176.870 0.046 0.000 0.965 321 L CA -0.613 54.271 54.840 0.073 0.000 0.845 321 L CB 2.253 44.447 42.059 0.225 0.000 1.259 321 L HN 0.557 nan 8.230 nan 0.000 0.403 322 F N 2.779 122.696 119.950 -0.056 0.000 2.565 322 F HA 0.937 5.464 4.527 -0.000 0.000 0.313 322 F C 0.061 176.013 175.800 0.254 0.000 1.091 322 F CA -0.114 57.883 58.000 -0.005 0.000 0.915 322 F CB 2.219 41.145 39.000 -0.124 0.000 1.208 322 F HN 0.496 nan 8.300 nan 0.000 0.453 323 G N 3.267 111.520 108.800 -0.911 0.000 2.359 323 G HA2 0.337 4.297 3.960 -0.000 0.000 0.293 323 G HA3 0.337 4.297 3.960 -0.000 0.000 0.293 323 G C -2.029 172.681 174.900 -0.317 0.000 1.300 323 G CA -0.397 44.410 45.100 -0.490 0.000 0.888 323 G HN 1.085 nan 8.290 nan 0.000 0.541 324 F N -1.379 118.478 119.950 -0.155 0.000 2.594 324 F HA 0.917 5.444 4.527 -0.000 0.000 0.335 324 F C -0.801 175.064 175.800 0.108 0.000 1.058 324 F CA -1.946 56.036 58.000 -0.029 0.000 0.981 324 F CB 1.556 40.513 39.000 -0.073 0.000 1.289 324 F HN 0.632 nan 8.300 nan 0.000 0.490 325 Y N 0.662 121.088 120.300 0.210 0.000 2.446 325 Y HA 0.631 5.180 4.550 -0.000 0.000 0.345 325 Y C -0.392 175.626 175.900 0.197 0.000 0.984 325 Y CA -0.558 57.589 58.100 0.078 0.000 1.058 325 Y CB 1.984 40.461 38.460 0.028 0.000 1.220 325 Y HN 0.982 nan 8.280 nan 0.000 0.455 326 T N 2.732 117.388 114.554 0.170 0.000 2.906 326 T HA 0.765 5.115 4.350 -0.000 0.000 0.295 326 T C -1.292 173.474 174.700 0.109 0.000 1.075 326 T CA -0.720 61.508 62.100 0.214 0.000 1.005 326 T CB 1.667 70.646 68.868 0.186 0.000 1.136 326 T HN 0.477 nan 8.240 nan 0.000 0.498 327 I N 2.583 123.210 120.570 0.095 0.000 2.560 327 I HA 0.369 4.539 4.170 -0.000 0.000 0.278 327 I C 0.033 176.189 176.117 0.064 0.000 1.089 327 I CA -0.181 61.101 61.300 -0.030 0.000 1.086 327 I CB 1.631 39.548 38.000 -0.138 0.000 1.202 327 I HN 0.973 nan 8.210 nan 0.000 0.471 328 S N 3.991 119.723 115.700 0.052 0.000 2.795 328 S HA 0.691 5.161 4.470 -0.000 0.000 0.308 328 S C -0.365 174.266 174.600 0.050 0.000 1.098 328 S CA -0.970 57.273 58.200 0.071 0.000 0.934 328 S CB 1.243 64.464 63.200 0.035 0.000 1.300 328 S HN 0.466 nan 8.310 nan 0.000 0.566 329 Q N -0.799 119.018 119.800 0.028 0.000 2.427 329 Q HA 0.685 5.025 4.340 -0.000 0.000 0.232 329 Q C 1.315 177.298 176.000 -0.029 0.000 1.018 329 Q CA -0.705 55.096 55.803 -0.005 0.000 0.965 329 Q CB 0.919 29.634 28.738 -0.038 0.000 1.232 329 Q HN 0.731 nan 8.270 nan 0.000 0.510 330 A N 0.594 123.374 122.820 -0.066 0.000 1.851 330 A HA -0.164 4.155 4.320 -0.000 0.000 0.216 330 A C 1.880 179.358 177.584 -0.176 0.000 1.195 330 A CA 2.233 54.191 52.037 -0.132 0.000 0.622 330 A CB -1.130 17.765 19.000 -0.176 0.000 0.831 330 A HN 0.745 nan 8.150 nan 0.000 0.444 331 A N -1.073 121.682 122.820 -0.109 0.000 2.238 331 A HA 0.271 4.591 4.320 -0.000 0.000 0.208 331 A C 1.948 179.661 177.584 0.214 0.000 1.177 331 A CA 1.244 53.397 52.037 0.194 0.000 0.804 331 A CB -0.298 18.842 19.000 0.232 0.000 0.823 331 A HN 0.420 nan 8.150 nan 0.000 0.482 332 S N -0.481 115.259 115.700 0.067 0.000 2.503 332 S HA 0.275 4.745 4.470 -0.000 0.000 0.215 332 S C 2.148 176.765 174.600 0.028 0.000 1.003 332 S CA 0.451 58.669 58.200 0.030 0.000 0.910 332 S CB 0.006 63.200 63.200 -0.010 0.000 0.790 332 S HN 0.741 nan 8.310 nan 0.000 0.514 333 A N 2.273 125.121 122.820 0.046 0.000 1.923 333 A HA -0.201 4.118 4.320 -0.000 0.000 0.222 333 A C 2.239 179.845 177.584 0.036 0.000 1.258 333 A CA 2.283 54.343 52.037 0.038 0.000 0.670 333 A CB -1.690 17.334 19.000 0.041 0.000 0.834 333 A HN 0.533 nan 8.150 nan 0.000 0.470 334 G N -0.578 108.253 108.800 0.053 0.000 2.484 334 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.215 334 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.215 334 G C 1.129 176.034 174.900 0.010 0.000 1.219 334 G CA 1.178 46.295 45.100 0.029 0.000 0.791 334 G HN 0.527 nan 8.290 nan 0.000 0.550 335 D N 0.552 120.946 120.400 -0.009 0.000 2.230 335 D HA -0.190 4.449 4.640 -0.000 0.000 0.189 335 D C 2.772 179.034 176.300 -0.064 0.000 1.006 335 D CA 1.761 55.739 54.000 -0.038 0.000 0.853 335 D CB -1.026 39.745 40.800 -0.047 0.000 0.959 335 D HN 0.183 nan 8.370 nan 0.000 0.449 336 V N 1.360 121.218 119.914 -0.094 0.000 2.220 336 V HA -0.293 3.827 4.120 -0.000 0.000 0.250 336 V C 2.693 178.773 176.094 -0.023 0.000 1.056 336 V CA 1.742 63.967 62.300 -0.126 0.000 1.016 336 V CB -0.664 31.101 31.823 -0.096 0.000 0.639 336 V HN 0.140 nan 8.190 nan 0.000 0.446 337 I N -0.404 120.203 120.570 0.062 0.000 2.113 337 I HA -0.313 3.857 4.170 -0.000 0.000 0.242 337 I C 2.650 178.896 176.117 0.215 0.000 1.064 337 I CA 1.928 63.345 61.300 0.194 0.000 1.320 337 I CB -0.413 37.666 38.000 0.132 0.000 1.028 337 I HN 0.330 nan 8.210 nan 0.000 0.406 338 K N 0.625 121.090 120.400 0.109 0.000 2.002 338 K HA -0.164 4.156 4.320 -0.000 0.000 0.209 338 K C 2.266 178.924 176.600 0.096 0.000 1.048 338 K CA 1.564 57.917 56.287 0.110 0.000 0.930 338 K CB -0.677 31.850 32.500 0.046 0.000 0.714 338 K HN 0.347 nan 8.250 nan 0.000 0.438 339 A N 2.244 125.067 122.820 0.005 0.000 1.881 339 A HA -0.290 4.030 4.320 -0.000 0.000 0.219 339 A C 2.565 180.090 177.584 -0.098 0.000 1.215 339 A CA 2.893 54.898 52.037 -0.053 0.000 0.648 339 A CB -1.194 17.736 19.000 -0.117 0.000 0.832 339 A HN 0.415 nan 8.150 nan 0.000 0.455 340 A N -1.817 120.882 122.820 -0.202 0.000 1.884 340 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 340 A C 2.177 179.493 177.584 -0.447 0.000 1.197 340 A CA 2.151 53.878 52.037 -0.516 0.000 0.637 340 A CB -1.056 17.278 19.000 -1.110 0.000 0.827 340 A HN 0.805 nan 8.150 nan 0.000 0.450 341 Y N 0.919 121.074 120.300 -0.241 0.000 2.049 341 Y HA -0.293 4.257 4.550 -0.000 0.000 0.277 341 Y C 2.476 178.407 175.900 0.051 0.000 1.143 341 Y CA 2.328 60.485 58.100 0.094 0.000 1.115 341 Y CB -0.472 38.163 38.460 0.292 0.000 0.975 341 Y HN 0.371 nan 8.280 nan 0.000 0.487 342 N N 0.333 119.165 118.700 0.221 0.000 2.058 342 N HA -0.329 4.411 4.740 -0.000 0.000 0.200 342 N C 1.890 177.403 175.510 0.005 0.000 1.033 342 N CA 1.957 55.076 53.050 0.114 0.000 0.880 342 N CB -0.963 37.575 38.487 0.087 0.000 1.069 342 N HN 0.446 nan 8.380 nan 0.000 0.461 343 Q N 0.421 120.195 119.800 -0.042 0.000 2.133 343 Q HA -0.107 4.233 4.340 -0.000 0.000 0.208 343 Q C 1.681 177.635 176.000 -0.078 0.000 0.991 343 Q CA 1.585 57.350 55.803 -0.063 0.000 0.867 343 Q CB -0.184 28.500 28.738 -0.090 0.000 0.911 343 Q HN 0.315 nan 8.270 nan 0.000 0.417 344 V N 0.286 120.120 119.914 -0.132 0.000 3.041 344 V HA -0.120 4.000 4.120 -0.000 0.000 0.260 344 V C 2.039 178.081 176.094 -0.087 0.000 1.105 344 V CA 1.429 63.654 62.300 -0.125 0.000 1.125 344 V CB -0.487 31.209 31.823 -0.211 0.000 0.730 344 V HN 0.277 nan 8.190 nan 0.000 0.479 345 K N 0.265 120.605 120.400 -0.099 0.000 2.057 345 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 345 K C 2.324 178.919 176.600 -0.008 0.000 1.050 345 K CA 1.723 57.984 56.287 -0.044 0.000 0.935 345 K CB -0.451 32.052 32.500 0.005 0.000 0.715 345 K HN 0.443 nan 8.250 nan 0.000 0.439 346 T N 2.104 116.652 114.554 -0.010 0.000 2.570 346 T HA -0.184 4.165 4.350 -0.000 0.000 0.266 346 T C 1.925 176.621 174.700 -0.007 0.000 1.071 346 T CA 1.812 63.909 62.100 -0.004 0.000 1.172 346 T CB -0.311 68.554 68.868 -0.006 0.000 0.864 346 T HN 0.044 nan 8.240 nan 0.000 0.421 347 I N 1.796 122.358 120.570 -0.014 0.000 2.236 347 I HA -0.175 3.995 4.170 -0.000 0.000 0.249 347 I C 2.543 178.650 176.117 -0.017 0.000 1.102 347 I CA 1.195 62.484 61.300 -0.017 0.000 1.365 347 I CB -0.756 37.232 38.000 -0.021 0.000 1.051 347 I HN 0.215 nan 8.210 nan 0.000 0.420 348 A N -0.931 121.884 122.820 -0.008 0.000 2.206 348 A HA -0.084 4.236 4.320 -0.000 0.000 0.211 348 A C 2.172 179.758 177.584 0.005 0.000 1.158 348 A CA 0.637 52.674 52.037 0.001 0.000 0.761 348 A CB -0.477 18.539 19.000 0.026 0.000 0.801 348 A HN 0.507 nan 8.150 nan 0.000 0.473 349 Q N -1.830 117.972 119.800 0.004 0.000 2.424 349 Q HA 0.205 4.545 4.340 -0.000 0.000 0.204 349 Q C 1.293 177.293 176.000 0.000 0.000 0.933 349 Q CA 0.570 56.378 55.803 0.008 0.000 0.929 349 Q CB 0.219 28.964 28.738 0.012 0.000 1.037 349 Q HN 0.810 nan 8.270 nan 0.000 0.511 350 G N 1.221 110.017 108.800 -0.007 0.000 2.316 350 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.203 350 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.203 350 G C 0.187 175.080 174.900 -0.012 0.000 0.999 350 G CA -0.127 44.966 45.100 -0.012 0.000 0.649 350 G HN 0.312 nan 8.290 nan 0.000 0.489 351 N N 0.865 119.561 118.700 -0.007 0.000 2.383 351 N HA 0.346 5.086 4.740 -0.000 0.000 0.295 351 N C -0.487 175.018 175.510 -0.008 0.000 1.281 351 N CA 0.538 53.584 53.050 -0.006 0.000 1.048 351 N CB -0.141 38.345 38.487 -0.002 0.000 1.455 351 N HN 0.960 nan 8.380 nan 0.000 0.488 352 L N 1.928 123.145 121.223 -0.010 0.000 2.737 352 L HA 0.388 4.728 4.340 -0.000 0.000 0.261 352 L C -1.066 175.798 176.870 -0.011 0.000 0.949 352 L CA -0.393 54.441 54.840 -0.010 0.000 0.952 352 L CB 1.111 43.161 42.059 -0.015 0.000 1.337 352 L HN 0.242 nan 8.230 nan 0.000 0.430 353 S N 3.073 118.769 115.700 -0.006 0.000 2.545 353 S HA 0.286 4.756 4.470 -0.000 0.000 0.275 353 S C 1.022 175.618 174.600 -0.007 0.000 1.299 353 S CA -0.454 57.743 58.200 -0.006 0.000 1.048 353 S CB 1.117 64.316 63.200 -0.002 0.000 0.938 353 S HN 0.765 nan 8.310 nan 0.000 0.496 354 N N 3.613 122.307 118.700 -0.010 0.000 2.069 354 N HA -0.131 4.609 4.740 -0.000 0.000 0.196 354 N C -0.995 174.509 175.510 -0.010 0.000 1.024 354 N CA 2.017 55.059 53.050 -0.012 0.000 0.869 354 N CB -1.085 37.394 38.487 -0.013 0.000 1.035 354 N HN 0.527 nan 8.380 nan 0.000 0.434 355 P HA -0.181 nan 4.420 nan 0.000 0.217 355 P C 0.339 177.637 177.300 -0.003 0.000 1.158 355 P CA 1.675 64.771 63.100 -0.005 0.000 0.887 355 P CB -0.115 31.584 31.700 -0.002 0.000 0.792 356 D N -0.956 119.444 120.400 0.001 0.000 2.224 356 D HA -0.060 4.580 4.640 -0.000 0.000 0.205 356 D C 2.081 178.386 176.300 0.007 0.000 0.965 356 D CA 0.563 54.568 54.000 0.008 0.000 0.852 356 D CB -0.673 40.136 40.800 0.015 0.000 0.947 356 D HN 0.066 nan 8.370 nan 0.000 0.494 357 V N 0.685 120.597 119.914 -0.002 0.000 2.379 357 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 357 V C 2.502 178.589 176.094 -0.013 0.000 1.044 357 V CA 1.383 63.679 62.300 -0.006 0.000 1.036 357 V CB -0.278 31.534 31.823 -0.017 0.000 0.664 357 V HN 0.074 nan 8.190 nan 0.000 0.453 358 Q N 0.330 120.120 119.800 -0.017 0.000 2.119 358 Q HA -0.097 4.243 4.340 -0.000 0.000 0.201 358 Q C 2.116 178.099 176.000 -0.029 0.000 0.972 358 Q CA 1.988 57.777 55.803 -0.024 0.000 0.847 358 Q CB -0.487 28.238 28.738 -0.021 0.000 0.903 358 Q HN 0.599 nan 8.270 nan 0.000 0.433 359 A N 0.530 123.337 122.820 -0.021 0.000 1.845 359 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 359 A C 2.297 179.858 177.584 -0.039 0.000 1.195 359 A CA 2.065 54.086 52.037 -0.027 0.000 0.616 359 A CB -1.508 17.484 19.000 -0.012 0.000 0.832 359 A HN 0.528 nan 8.150 nan 0.000 0.443 360 A N -0.105 122.707 122.820 -0.012 0.000 1.863 360 A HA -0.319 4.001 4.320 -0.000 0.000 0.218 360 A C 2.078 179.607 177.584 -0.092 0.000 1.233 360 A CA 2.427 54.461 52.037 -0.005 0.000 0.655 360 A CB -0.915 18.117 19.000 0.052 0.000 0.839 360 A HN 0.555 nan 8.150 nan 0.000 0.454 361 K N -1.010 119.353 120.400 -0.062 0.000 2.044 361 K HA -0.275 4.045 4.320 -0.000 0.000 0.224 361 K C 1.909 178.444 176.600 -0.109 0.000 1.056 361 K CA 1.928 58.168 56.287 -0.078 0.000 0.962 361 K CB -0.490 31.979 32.500 -0.051 0.000 0.730 361 K HN 0.521 nan 8.250 nan 0.000 0.453 362 N N 0.839 119.486 118.700 -0.088 0.000 2.149 362 N HA -0.144 4.596 4.740 -0.000 0.000 0.188 362 N C 1.611 177.048 175.510 -0.122 0.000 1.019 362 N CA 1.072 54.070 53.050 -0.085 0.000 0.857 362 N CB -0.088 38.359 38.487 -0.066 0.000 0.997 362 N HN 0.259 nan 8.380 nan 0.000 0.426 363 K N 0.742 121.043 120.400 -0.166 0.000 1.978 363 K HA -0.157 4.163 4.320 -0.000 0.000 0.214 363 K C 2.016 178.433 176.600 -0.305 0.000 1.049 363 K CA 0.829 56.979 56.287 -0.228 0.000 0.939 363 K CB -0.650 31.727 32.500 -0.205 0.000 0.721 363 K HN 0.051 nan 8.250 nan 0.000 0.441 364 L N 2.202 123.113 121.223 -0.521 0.000 1.971 364 L HA -0.259 4.081 4.340 -0.000 0.000 0.215 364 L C 2.057 178.868 176.870 -0.099 0.000 1.072 364 L CA 1.943 56.523 54.840 -0.434 0.000 0.758 364 L CB -0.511 41.338 42.059 -0.351 0.000 0.889 364 L HN 0.079 nan 8.230 nan 0.000 0.433 365 K N -0.499 119.857 120.400 -0.073 0.000 2.015 365 K HA -0.233 4.087 4.320 -0.000 0.000 0.216 365 K C 2.099 178.729 176.600 0.051 0.000 1.052 365 K CA 1.942 58.230 56.287 0.002 0.000 0.937 365 K CB -0.757 31.731 32.500 -0.020 0.000 0.719 365 K HN 0.532 nan 8.250 nan 0.000 0.446 366 A N 1.118 123.937 122.820 -0.002 0.000 1.869 366 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 366 A C 2.451 180.064 177.584 0.048 0.000 1.203 366 A CA 2.439 54.481 52.037 0.009 0.000 0.638 366 A CB -1.777 17.198 19.000 -0.042 0.000 0.831 366 A HN 0.476 nan 8.150 nan 0.000 0.450 367 G N -1.658 107.172 108.800 0.050 0.000 2.631 367 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.219 367 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.219 367 G C 1.558 176.535 174.900 0.128 0.000 1.214 367 G CA 1.596 46.756 45.100 0.100 0.000 0.785 367 G HN 0.682 nan 8.290 nan 0.000 0.596 368 Y N 1.094 121.418 120.300 0.039 0.000 2.139 368 Y HA -0.160 4.390 4.550 -0.000 0.000 0.282 368 Y C 2.636 178.567 175.900 0.053 0.000 1.179 368 Y CA 1.819 59.947 58.100 0.046 0.000 1.161 368 Y CB -0.232 38.249 38.460 0.035 0.000 0.970 368 Y HN 0.162 nan 8.280 nan 0.000 0.511 369 L N -0.717 120.583 121.223 0.128 0.000 2.027 369 L HA -0.274 4.066 4.340 -0.000 0.000 0.206 369 L C 2.534 179.402 176.870 -0.003 0.000 1.074 369 L CA 1.670 56.547 54.840 0.061 0.000 0.745 369 L CB -0.470 41.656 42.059 0.113 0.000 0.898 369 L HN 0.323 nan 8.230 nan 0.000 0.433 370 M N -1.012 118.599 119.600 0.018 0.000 2.149 370 M HA -0.198 4.281 4.480 -0.000 0.000 0.261 370 M C 2.430 178.722 176.300 -0.014 0.000 1.064 370 M CA 1.538 56.845 55.300 0.013 0.000 1.102 370 M CB -0.551 32.067 32.600 0.030 0.000 1.369 370 M HN 0.181 nan 8.290 nan 0.000 0.408 371 S N 0.332 116.001 115.700 -0.051 0.000 2.383 371 S HA -0.093 4.376 4.470 -0.000 0.000 0.229 371 S C 1.649 176.187 174.600 -0.104 0.000 1.030 371 S CA 1.269 59.420 58.200 -0.081 0.000 1.002 371 S CB -0.318 62.802 63.200 -0.134 0.000 0.829 371 S HN 0.328 nan 8.310 nan 0.000 0.467 372 V N 2.103 121.922 119.914 -0.159 0.000 3.514 372 V HA 0.092 4.212 4.120 -0.000 0.000 0.301 372 V C 1.831 177.965 176.094 0.067 0.000 1.346 372 V CA 0.468 62.734 62.300 -0.056 0.000 1.156 372 V CB -0.644 31.093 31.823 -0.144 0.000 1.029 372 V HN 0.626 nan 8.190 nan 0.000 0.428 373 E N 1.018 121.237 120.200 0.030 0.000 2.502 373 E HA 0.012 4.361 4.350 -0.000 0.000 0.194 373 E C 0.965 177.587 176.600 0.037 0.000 1.062 373 E CA 0.459 56.884 56.400 0.042 0.000 0.867 373 E CB 0.309 30.027 29.700 0.030 0.000 0.888 373 E HN 0.545 nan 8.360 nan 0.000 0.510 374 S N -0.194 115.534 115.700 0.046 0.000 2.568 374 S HA 0.267 4.737 4.470 -0.000 0.000 0.302 374 S C 1.049 175.683 174.600 0.056 0.000 1.082 374 S CA -0.135 58.086 58.200 0.035 0.000 1.009 374 S CB 1.655 64.872 63.200 0.029 0.000 1.069 374 S HN 0.228 nan 8.310 nan 0.000 0.500 375 S N 1.551 117.260 115.700 0.015 0.000 2.351 375 S HA -0.230 4.240 4.470 -0.000 0.000 0.220 375 S C 1.601 176.254 174.600 0.087 0.000 1.035 375 S CA 1.743 59.956 58.200 0.022 0.000 1.031 375 S CB -1.217 61.967 63.200 -0.028 0.000 0.928 375 S HN 0.878 nan 8.310 nan 0.000 0.433 376 E N 1.163 121.395 120.200 0.053 0.000 2.097 376 E HA -0.126 4.224 4.350 -0.000 0.000 0.196 376 E C 2.167 178.815 176.600 0.079 0.000 1.000 376 E CA 1.264 57.699 56.400 0.058 0.000 0.804 376 E CB -0.915 28.803 29.700 0.030 0.000 0.740 376 E HN 0.702 nan 8.360 nan 0.000 0.454 377 G N 0.574 109.417 108.800 0.072 0.000 2.453 377 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.215 377 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.215 377 G C 1.362 176.298 174.900 0.060 0.000 1.201 377 G CA 0.698 45.829 45.100 0.052 0.000 0.784 377 G HN 0.358 nan 8.290 nan 0.000 0.545 378 F N 0.873 120.794 119.950 -0.049 0.000 2.043 378 F HA -0.151 4.376 4.527 -0.000 0.000 0.297 378 F C 2.432 178.198 175.800 -0.056 0.000 1.118 378 F CA 1.859 59.819 58.000 -0.067 0.000 1.202 378 F CB -0.376 38.585 39.000 -0.065 0.000 0.965 378 F HN 0.115 nan 8.300 nan 0.000 0.482 379 L N 0.434 121.789 121.223 0.219 0.000 2.079 379 L HA -0.236 4.103 4.340 -0.000 0.000 0.210 379 L C 2.042 179.002 176.870 0.149 0.000 1.081 379 L CA 2.217 57.156 54.840 0.165 0.000 0.752 379 L CB -0.969 41.208 42.059 0.196 0.000 0.896 379 L HN 0.232 nan 8.230 nan 0.000 0.433 380 D N -0.768 119.719 120.400 0.144 0.000 2.077 380 D HA -0.234 4.406 4.640 -0.000 0.000 0.196 380 D C 2.053 178.314 176.300 -0.065 0.000 0.986 380 D CA 1.219 55.325 54.000 0.177 0.000 0.829 380 D CB 0.068 40.953 40.800 0.142 0.000 0.983 380 D HN 0.346 nan 8.370 nan 0.000 0.453 381 E N 0.168 120.294 120.200 -0.123 0.000 2.086 381 E HA -0.161 4.189 4.350 -0.000 0.000 0.200 381 E C 2.189 178.640 176.600 -0.248 0.000 1.012 381 E CA 1.178 57.474 56.400 -0.173 0.000 0.812 381 E CB -0.514 29.063 29.700 -0.206 0.000 0.743 381 E HN 0.151 nan 8.360 nan 0.000 0.453 382 V N 0.013 119.673 119.914 -0.424 0.000 2.223 382 V HA -0.246 3.874 4.120 -0.000 0.000 0.244 382 V C 2.304 178.167 176.094 -0.385 0.000 1.045 382 V CA 2.144 64.174 62.300 -0.450 0.000 1.000 382 V CB -1.344 30.121 31.823 -0.596 0.000 0.635 382 V HN 0.530 nan 8.190 nan 0.000 0.445 383 G N 0.433 108.889 108.800 -0.574 0.000 2.529 383 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.219 383 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.219 383 G C 1.852 176.238 174.900 -0.856 0.000 1.177 383 G CA 2.094 46.518 45.100 -1.127 0.000 0.773 383 G HN 0.662 nan 8.290 nan 0.000 0.573 384 S N 0.400 115.695 115.700 -0.676 0.000 2.380 384 S HA -0.314 4.155 4.470 -0.000 0.000 0.229 384 S C 2.184 176.669 174.600 -0.191 0.000 1.050 384 S CA 1.980 59.992 58.200 -0.313 0.000 1.100 384 S CB -0.773 62.339 63.200 -0.146 0.000 0.984 384 S HN 0.575 nan 8.310 nan 0.000 0.434 385 Q N 1.324 121.033 119.800 -0.151 0.000 2.135 385 Q HA -0.067 4.273 4.340 -0.000 0.000 0.204 385 Q C 2.711 178.643 176.000 -0.114 0.000 0.981 385 Q CA 1.411 57.163 55.803 -0.084 0.000 0.856 385 Q CB -0.638 28.102 28.738 0.004 0.000 0.902 385 Q HN 0.788 nan 8.270 nan 0.000 0.425 386 A N 1.094 123.817 122.820 -0.160 0.000 1.908 386 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 386 A C 2.058 179.578 177.584 -0.106 0.000 1.181 386 A CA 1.230 53.182 52.037 -0.141 0.000 0.627 386 A CB -0.642 18.260 19.000 -0.164 0.000 0.818 386 A HN 0.295 nan 8.150 nan 0.000 0.445 387 L N -1.506 119.649 121.223 -0.113 0.000 2.179 387 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 387 L C 2.943 179.799 176.870 -0.023 0.000 1.096 387 L CA 0.810 55.620 54.840 -0.049 0.000 0.779 387 L CB -0.628 41.416 42.059 -0.025 0.000 0.922 387 L HN 0.477 nan 8.230 nan 0.000 0.443 388 A N 0.233 123.031 122.820 -0.037 0.000 1.849 388 A HA 0.108 4.427 4.320 -0.000 0.000 0.214 388 A C 2.426 179.990 177.584 -0.033 0.000 1.269 388 A CA 1.203 53.229 52.037 -0.019 0.000 0.605 388 A CB -0.809 18.180 19.000 -0.019 0.000 0.937 388 A HN 0.275 nan 8.150 nan 0.000 0.461 389 A N -2.202 120.582 122.820 -0.060 0.000 1.826 389 A HA 0.388 4.708 4.320 -0.000 0.000 0.214 389 A C 1.910 179.436 177.584 -0.098 0.000 1.212 389 A CA 2.267 54.256 52.037 -0.080 0.000 0.605 389 A CB -0.857 18.080 19.000 -0.105 0.000 0.861 389 A HN 1.956 nan 8.150 nan 0.000 0.447 390 G N -2.327 106.389 108.800 -0.139 0.000 2.321 390 G HA2 0.240 4.200 3.960 -0.000 0.000 0.174 390 G HA3 0.240 4.200 3.960 -0.000 0.000 0.174 390 G C 0.142 174.866 174.900 -0.293 0.000 1.008 390 G CA 0.771 45.782 45.100 -0.149 0.000 0.739 390 G HN 1.853 nan 8.290 nan 0.000 0.502 391 S N -1.162 114.290 115.700 -0.414 0.000 2.643 391 S HA 0.661 5.131 4.470 -0.000 0.000 0.270 391 S C -1.568 172.733 174.600 -0.498 0.000 1.166 391 S CA -0.707 56.934 58.200 -0.931 0.000 0.815 391 S CB 1.623 64.143 63.200 -1.133 0.000 1.139 391 S HN 1.385 nan 8.310 nan 0.000 0.472 392 Y N 2.075 122.011 120.300 -0.608 0.000 2.385 392 Y HA 0.534 5.084 4.550 -0.000 0.000 0.341 392 Y C 0.108 176.027 175.900 0.032 0.000 0.965 392 Y CA -0.363 57.697 58.100 -0.065 0.000 1.180 392 Y CB 0.864 39.456 38.460 0.219 0.000 1.139 392 Y HN 0.750 nan 8.280 nan 0.000 0.502 393 T N 10.087 124.291 114.554 -0.582 0.000 2.779 393 T HA 0.218 4.567 4.350 -0.000 0.000 0.296 393 T C -2.424 171.621 174.700 -1.090 0.000 0.938 393 T CA -0.954 60.796 62.100 -0.584 0.000 1.119 393 T CB 0.447 69.129 68.868 -0.310 0.000 0.891 393 T HN 0.476 nan 8.240 nan 0.000 0.526 394 P HA 0.110 nan 4.420 nan 0.000 0.270 394 P C -1.776 175.446 177.300 -0.131 0.000 1.223 394 P CA -1.447 61.427 63.100 -0.376 0.000 0.785 394 P CB 0.124 31.776 31.700 -0.081 0.000 0.923 395 P HA -0.222 nan 4.420 nan 0.000 0.211 395 P C 1.346 178.680 177.300 0.057 0.000 1.179 395 P CA 1.920 65.135 63.100 0.192 0.000 0.910 395 P CB -0.720 31.153 31.700 0.289 0.000 0.785 396 S N 0.210 115.942 115.700 0.054 0.000 2.427 396 S HA -0.302 4.168 4.470 -0.000 0.000 0.261 396 S C 2.066 176.646 174.600 -0.033 0.000 1.091 396 S CA 2.733 60.941 58.200 0.013 0.000 1.251 396 S CB -2.474 60.737 63.200 0.019 0.000 1.160 396 S HN 0.231 nan 8.310 nan 0.000 0.436 397 T N 2.700 117.223 114.554 -0.052 0.000 2.653 397 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 397 T C 1.943 176.577 174.700 -0.110 0.000 1.035 397 T CA 1.643 63.697 62.100 -0.077 0.000 1.154 397 T CB -0.982 67.830 68.868 -0.092 0.000 0.862 397 T HN 0.296 nan 8.240 nan 0.000 0.441 398 V N 1.609 121.433 119.914 -0.149 0.000 2.220 398 V HA -0.241 3.879 4.120 -0.000 0.000 0.250 398 V C 2.530 178.490 176.094 -0.224 0.000 1.056 398 V CA 1.966 64.117 62.300 -0.247 0.000 1.016 398 V CB -0.955 30.619 31.823 -0.415 0.000 0.639 398 V HN 0.403 nan 8.190 nan 0.000 0.446 399 L N -0.516 120.603 121.223 -0.173 0.000 2.051 399 L HA -0.331 4.009 4.340 -0.000 0.000 0.214 399 L C 2.756 179.574 176.870 -0.087 0.000 1.076 399 L CA 2.085 56.858 54.840 -0.111 0.000 0.758 399 L CB -0.702 41.331 42.059 -0.044 0.000 0.890 399 L HN 0.433 nan 8.230 nan 0.000 0.433 400 Q N -0.768 118.987 119.800 -0.075 0.000 2.030 400 Q HA -0.281 4.059 4.340 -0.000 0.000 0.204 400 Q C 2.282 178.242 176.000 -0.068 0.000 0.986 400 Q CA 1.739 57.506 55.803 -0.060 0.000 0.843 400 Q CB -0.298 28.410 28.738 -0.050 0.000 0.904 400 Q HN 0.577 nan 8.270 nan 0.000 0.420 401 Q N 0.346 120.096 119.800 -0.084 0.000 2.133 401 Q HA -0.208 4.132 4.340 -0.000 0.000 0.208 401 Q C 2.128 178.082 176.000 -0.076 0.000 0.991 401 Q CA 1.318 57.073 55.803 -0.081 0.000 0.867 401 Q CB -0.251 28.428 28.738 -0.098 0.000 0.911 401 Q HN 0.429 nan 8.270 nan 0.000 0.417 402 I N 0.620 121.136 120.570 -0.091 0.000 2.315 402 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 402 I C 1.970 178.051 176.117 -0.060 0.000 1.117 402 I CA 0.933 62.188 61.300 -0.075 0.000 1.404 402 I CB -0.045 37.901 38.000 -0.090 0.000 1.071 402 I HN 0.168 nan 8.210 nan 0.000 0.419 403 D N 0.659 121.024 120.400 -0.059 0.000 2.144 403 D HA -0.123 4.517 4.640 -0.000 0.000 0.200 403 D C 2.215 178.488 176.300 -0.045 0.000 0.978 403 D CA 1.268 55.239 54.000 -0.048 0.000 0.833 403 D CB 0.098 40.872 40.800 -0.044 0.000 0.961 403 D HN 0.336 nan 8.370 nan 0.000 0.470 404 A N 0.442 123.234 122.820 -0.047 0.000 2.032 404 A HA -0.108 4.212 4.320 -0.000 0.000 0.221 404 A C 1.366 178.922 177.584 -0.047 0.000 1.165 404 A CA 0.385 52.396 52.037 -0.044 0.000 0.645 404 A CB -0.440 18.533 19.000 -0.044 0.000 0.807 404 A HN 0.110 nan 8.150 nan 0.000 0.453 405 V N 0.518 120.401 119.914 -0.051 0.000 2.644 405 V HA 0.196 4.316 4.120 -0.000 0.000 0.305 405 V C 0.986 177.046 176.094 -0.056 0.000 1.053 405 V CA 0.166 62.431 62.300 -0.059 0.000 1.186 405 V CB 0.113 31.899 31.823 -0.061 0.000 0.895 405 V HN 0.577 nan 8.190 nan 0.000 0.490 406 A N 4.395 127.178 122.820 -0.062 0.000 2.354 406 A HA 0.291 4.610 4.320 -0.000 0.000 0.269 406 A C 1.130 178.679 177.584 -0.059 0.000 1.109 406 A CA -0.455 51.549 52.037 -0.055 0.000 0.800 406 A CB 0.177 19.144 19.000 -0.056 0.000 1.045 406 A HN 0.923 nan 8.150 nan 0.000 0.489 407 D N 1.970 122.341 120.400 -0.048 0.000 2.158 407 D HA -0.203 4.437 4.640 -0.000 0.000 0.197 407 D C 1.990 178.257 176.300 -0.054 0.000 0.995 407 D CA 1.779 55.752 54.000 -0.046 0.000 0.846 407 D CB -0.077 40.703 40.800 -0.034 0.000 0.941 407 D HN 0.640 nan 8.370 nan 0.000 0.456 408 A N 1.561 124.348 122.820 -0.054 0.000 1.841 408 A HA -0.203 4.117 4.320 -0.000 0.000 0.214 408 A C 1.990 179.523 177.584 -0.085 0.000 1.195 408 A CA 1.520 53.521 52.037 -0.060 0.000 0.611 408 A CB -0.655 18.316 19.000 -0.049 0.000 0.835 408 A HN 0.053 nan 8.150 nan 0.000 0.443 409 D N -0.184 120.160 120.400 -0.094 0.000 2.370 409 D HA -0.226 4.414 4.640 -0.000 0.000 0.190 409 D C 2.010 178.197 176.300 -0.187 0.000 1.019 409 D CA 2.351 56.273 54.000 -0.130 0.000 0.869 409 D CB -0.240 40.490 40.800 -0.117 0.000 0.944 409 D HN 0.163 nan 8.370 nan 0.000 0.456 410 V N 1.769 121.581 119.914 -0.171 0.000 2.220 410 V HA -0.312 3.808 4.120 -0.000 0.000 0.250 410 V C 2.633 178.612 176.094 -0.192 0.000 1.056 410 V CA 1.821 64.006 62.300 -0.192 0.000 1.016 410 V CB -0.528 31.227 31.823 -0.114 0.000 0.639 410 V HN 0.267 nan 8.190 nan 0.000 0.446 411 I N 0.643 121.137 120.570 -0.126 0.000 2.118 411 I HA -0.282 3.888 4.170 -0.000 0.000 0.241 411 I C 2.394 178.442 176.117 -0.115 0.000 1.070 411 I CA 2.326 63.568 61.300 -0.098 0.000 1.327 411 I CB -1.961 36.000 38.000 -0.065 0.000 1.034 411 I HN 0.462 nan 8.210 nan 0.000 0.405 412 N N 1.344 119.967 118.700 -0.128 0.000 2.061 412 N HA -0.175 4.565 4.740 -0.000 0.000 0.193 412 N C 1.825 177.227 175.510 -0.179 0.000 1.030 412 N CA 2.204 55.179 53.050 -0.125 0.000 0.856 412 N CB -0.222 38.192 38.487 -0.123 0.000 1.023 412 N HN 0.363 nan 8.380 nan 0.000 0.424 413 A N 0.185 122.804 122.820 -0.335 0.000 1.908 413 A HA 0.028 4.347 4.320 -0.000 0.000 0.218 413 A C 2.370 179.757 177.584 -0.328 0.000 1.181 413 A CA 2.136 53.811 52.037 -0.603 0.000 0.627 413 A CB -1.241 17.058 19.000 -1.169 0.000 0.818 413 A HN 0.469 nan 8.150 nan 0.000 0.445 414 A N -0.463 122.213 122.820 -0.241 0.000 1.933 414 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 414 A C 2.085 179.700 177.584 0.053 0.000 1.175 414 A CA 1.743 53.737 52.037 -0.073 0.000 0.628 414 A CB -0.441 18.515 19.000 -0.074 0.000 0.814 414 A HN 0.525 nan 8.150 nan 0.000 0.444 415 K N -0.330 120.073 120.400 0.004 0.000 2.059 415 K HA -0.214 4.106 4.320 -0.000 0.000 0.212 415 K C 2.155 178.805 176.600 0.084 0.000 1.050 415 K CA 1.795 58.103 56.287 0.035 0.000 0.927 415 K CB -0.179 32.321 32.500 0.000 0.000 0.714 415 K HN 0.405 nan 8.250 nan 0.000 0.447 416 K N 0.014 120.470 120.400 0.094 0.000 2.147 416 K HA -0.169 4.151 4.320 -0.000 0.000 0.205 416 K C 2.024 178.751 176.600 0.211 0.000 1.049 416 K CA 1.166 57.539 56.287 0.143 0.000 0.936 416 K CB -0.125 32.495 32.500 0.200 0.000 0.722 416 K HN 0.085 nan 8.250 nan 0.000 0.446 417 F N 1.172 121.212 119.950 0.149 0.000 2.084 417 F HA -0.212 4.314 4.527 -0.000 0.000 0.296 417 F C 1.850 177.734 175.800 0.140 0.000 1.111 417 F CA 1.382 59.502 58.000 0.199 0.000 1.224 417 F CB -0.350 38.839 39.000 0.316 0.000 0.991 417 F HN -0.230 nan 8.300 nan 0.000 0.471 418 V N -1.299 118.770 119.914 0.259 0.000 2.392 418 V HA -0.225 3.895 4.120 -0.000 0.000 0.249 418 V C 1.754 177.896 176.094 0.080 0.000 1.059 418 V CA 1.739 64.112 62.300 0.120 0.000 1.051 418 V CB -1.366 30.521 31.823 0.107 0.000 0.658 418 V HN 0.424 nan 8.190 nan 0.000 0.455 419 S N 0.749 116.490 115.700 0.068 0.000 2.438 419 S HA 0.628 5.097 4.470 -0.000 0.000 0.227 419 S C 0.148 174.762 174.600 0.024 0.000 1.265 419 S CA 0.115 58.342 58.200 0.046 0.000 1.265 419 S CB -0.607 62.622 63.200 0.048 0.000 0.987 419 S HN 0.778 nan 8.310 nan 0.000 0.502 420 G N 1.233 110.024 108.800 -0.016 0.000 2.731 420 G HA2 0.458 4.417 3.960 -0.000 0.000 0.298 420 G HA3 0.458 4.417 3.960 -0.000 0.000 0.298 420 G C -0.891 173.978 174.900 -0.051 0.000 1.424 420 G CA -1.047 44.032 45.100 -0.036 0.000 1.029 420 G HN 0.474 nan 8.290 nan 0.000 0.518 421 R N 1.088 121.598 120.500 0.017 0.000 2.486 421 R HA 0.055 4.395 4.340 -0.000 0.000 0.304 421 R C 0.178 176.511 176.300 0.056 0.000 0.913 421 R CA 0.541 56.677 56.100 0.060 0.000 1.124 421 R CB 0.104 30.508 30.300 0.172 0.000 0.891 421 R HN 0.409 nan 8.270 nan 0.000 0.410 422 K N 2.077 122.454 120.400 -0.038 0.000 2.126 422 K HA 0.320 4.640 4.320 -0.000 0.000 0.257 422 K C -0.835 175.720 176.600 -0.075 0.000 1.007 422 K CA -0.280 55.959 56.287 -0.079 0.000 0.928 422 K CB 1.527 33.964 32.500 -0.104 0.000 1.013 422 K HN 0.668 nan 8.250 nan 0.000 0.473 423 S N 1.375 117.034 115.700 -0.070 0.000 2.653 423 S HA 0.395 4.864 4.470 -0.000 0.000 0.268 423 S C -1.097 173.441 174.600 -0.103 0.000 1.153 423 S CA -0.943 57.189 58.200 -0.114 0.000 1.036 423 S CB 0.564 63.674 63.200 -0.150 0.000 1.103 423 S HN 0.641 nan 8.310 nan 0.000 0.466 424 M N 2.875 122.396 119.600 -0.132 0.000 2.591 424 M HA 0.860 5.340 4.480 -0.000 0.000 0.306 424 M C -1.877 174.328 176.300 -0.158 0.000 1.190 424 M CA -0.630 54.576 55.300 -0.157 0.000 0.889 424 M CB 2.094 34.591 32.600 -0.172 0.000 1.728 424 M HN 0.904 nan 8.290 nan 0.000 0.458 425 A N 2.740 125.453 122.820 -0.179 0.000 2.402 425 A HA 0.876 5.195 4.320 -0.000 0.000 0.291 425 A C -1.545 175.930 177.584 -0.182 0.000 1.051 425 A CA -0.434 51.510 52.037 -0.156 0.000 0.716 425 A CB 1.174 20.103 19.000 -0.119 0.000 1.223 425 A HN 1.032 nan 8.150 nan 0.000 0.425 426 A N 1.330 124.059 122.820 -0.152 0.000 2.423 426 A HA 0.969 5.289 4.320 -0.000 0.000 0.304 426 A C -0.116 177.421 177.584 -0.079 0.000 1.104 426 A CA -0.532 51.425 52.037 -0.133 0.000 0.757 426 A CB 1.631 20.541 19.000 -0.150 0.000 1.313 426 A HN 1.093 nan 8.150 nan 0.000 0.423 427 S N -1.153 114.518 115.700 -0.049 0.000 2.595 427 S HA 0.925 5.395 4.470 -0.000 0.000 0.281 427 S C 0.073 174.662 174.600 -0.017 0.000 1.117 427 S CA 0.276 58.454 58.200 -0.036 0.000 0.873 427 S CB 1.840 65.008 63.200 -0.054 0.000 1.108 427 S HN 2.532 nan 8.310 nan 0.000 0.477 428 G N 1.940 110.725 108.800 -0.025 0.000 2.409 428 G HA2 -0.137 3.822 3.960 -0.000 0.000 0.421 428 G HA3 -0.137 3.822 3.960 -0.000 0.000 0.421 428 G C -0.822 174.061 174.900 -0.028 0.000 1.259 428 G CA -0.924 44.166 45.100 -0.015 0.000 1.011 428 G HN 0.774 nan 8.290 nan 0.000 0.497 429 N N 0.464 119.143 118.700 -0.034 0.000 2.406 429 N HA 0.308 5.048 4.740 -0.000 0.000 0.274 429 N C 0.836 176.312 175.510 -0.056 0.000 1.249 429 N CA -0.194 52.827 53.050 -0.049 0.000 0.951 429 N CB -0.159 38.287 38.487 -0.069 0.000 1.241 429 N HN 0.469 nan 8.380 nan 0.000 0.485 430 L N 3.020 124.222 121.223 -0.036 0.000 2.865 430 L HA 0.312 4.652 4.340 -0.000 0.000 0.233 430 L C 1.663 178.547 176.870 0.024 0.000 1.320 430 L CA -0.544 54.282 54.840 -0.023 0.000 1.225 430 L CB 0.281 42.313 42.059 -0.045 0.000 1.542 430 L HN 0.587 nan 8.230 nan 0.000 0.432 431 G N -1.226 107.576 108.800 0.004 0.000 2.426 431 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.214 431 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.214 431 G C 0.987 176.074 174.900 0.311 0.000 1.156 431 G CA 0.107 45.278 45.100 0.119 0.000 0.802 431 G HN 0.645 nan 8.290 nan 0.000 0.534 432 H N -0.004 119.072 119.070 0.011 0.000 2.472 432 H HA 0.250 4.806 4.556 -0.000 0.000 0.287 432 H C -0.307 175.020 175.328 -0.003 0.000 1.112 432 H CA -0.463 55.590 56.048 0.009 0.000 1.021 432 H CB 0.525 30.286 29.762 -0.001 0.000 1.635 432 H HN 0.063 nan 8.280 nan 0.000 0.559 433 T N 3.301 117.910 114.554 0.091 0.000 2.801 433 T HA 0.164 4.514 4.350 -0.000 0.000 0.306 433 T C -2.365 172.318 174.700 -0.027 0.000 1.020 433 T CA -1.648 60.447 62.100 -0.007 0.000 0.948 433 T CB 1.308 70.121 68.868 -0.093 0.000 0.962 433 T HN 0.138 nan 8.240 nan 0.000 0.465 434 P HA 0.040 nan 4.420 nan 0.000 0.264 434 P C -0.479 176.800 177.300 -0.036 0.000 1.173 434 P CA 0.082 63.203 63.100 0.034 0.000 0.761 434 P CB 0.365 32.064 31.700 -0.002 0.000 0.794 435 F N 0.817 120.739 119.950 -0.048 0.000 2.362 435 F HA 0.289 4.815 4.527 -0.000 0.000 0.340 435 F C 2.246 178.000 175.800 -0.077 0.000 1.088 435 F CA -0.443 57.524 58.000 -0.055 0.000 1.096 435 F CB -0.179 38.794 39.000 -0.045 0.000 1.486 435 F HN 0.210 nan 8.300 nan 0.000 0.500 436 I N -0.770 119.893 120.570 0.154 0.000 2.127 436 I HA -0.255 3.915 4.170 -0.000 0.000 0.241 436 I C 1.379 177.503 176.117 0.011 0.000 1.075 436 I CA 1.651 62.968 61.300 0.028 0.000 1.334 436 I CB -0.645 37.363 38.000 0.014 0.000 1.040 436 I HN 0.411 nan 8.210 nan 0.000 0.405 437 D N 0.881 121.306 120.400 0.042 0.000 2.310 437 D HA -0.150 4.490 4.640 -0.000 0.000 0.212 437 D C 1.960 178.258 176.300 -0.004 0.000 0.965 437 D CA 0.976 54.977 54.000 0.002 0.000 0.879 437 D CB -0.271 40.519 40.800 -0.016 0.000 0.921 437 D HN 0.478 nan 8.370 nan 0.000 0.510 438 E N -0.351 119.863 120.200 0.024 0.000 2.274 438 E HA 0.084 4.433 4.350 -0.000 0.000 0.194 438 E C 0.598 177.171 176.600 -0.045 0.000 0.996 438 E CA 0.392 56.797 56.400 0.008 0.000 0.840 438 E CB 0.269 30.001 29.700 0.055 0.000 0.772 438 E HN 0.262 nan 8.360 nan 0.000 0.491 439 L N 0.000 121.161 121.223 -0.104 0.000 2.949 439 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 439 L CA 0.000 54.709 54.840 -0.219 0.000 0.813 439 L CB 0.000 41.832 42.059 -0.379 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502