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 3e34_1_B DATA FIRST_RESID 17 DATA SEQUENCE PVWSEPLYSL RPEHARERLQ DDSVETVTSI EQAKVEEKIQ EVFSSYKFNH DATA SEQUENCE LVPRLVLQRE KHFHYLKRGL RQLTDAYECL DASRPWLCYW ILHSLELLDE DATA SEQUENCE PIPQIVATDV CQFLELCQSP DGGFGGGPGQ YPHLAPTYAA VNALCIIGTE DATA SEQUENCE EAYNVINREK LLQYLYSLKQ PDGSFLMHVG GEVDVRSAYC AASVASLTNI DATA SEQUENCE ITPDLFEGTA EWIARCQNWE GGIGGVPGME AHGGYTFCGL AALVILKKER DATA SEQUENCE SLNLKSLLQW VTSRQMRFEG GFQGRCNKLV DGCYSFWQAG LLPLLHRALH DATA SEQUENCE AQGDPALSMS HWMFHQQALQ EYILMCCQCP AGGLLDKPGK SRDFYHTCYC DATA SEQUENCE LSGLSIAQHF GSGAMLHDVV MGVPENVLQP THPVYNIGPD KVIQATTHFL DATA SEQUENCE QKPVPGF 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 17 P HA 0.000 nan 4.420 nan 0.000 0.216 17 P C 0.000 177.068 177.300 -0.387 0.000 1.155 17 P CA 0.000 62.897 63.100 -0.339 0.000 0.800 17 P CB 0.000 31.363 31.700 -0.561 0.000 0.726 18 V N 0.820 120.619 119.914 -0.192 0.000 2.591 18 V HA -0.041 4.079 4.120 -0.000 0.000 0.249 18 V C 1.338 177.390 176.094 -0.069 0.000 1.053 18 V CA 1.647 63.893 62.300 -0.089 0.000 1.068 18 V CB -0.456 31.383 31.823 0.027 0.000 0.689 18 V HN 0.662 nan 8.190 nan 0.000 0.462 19 W N -0.014 121.277 121.300 -0.014 0.000 2.678 19 W HA 0.222 4.882 4.660 -0.000 0.000 0.256 19 W C 0.626 177.131 176.519 -0.022 0.000 1.280 19 W CA 0.161 57.497 57.345 -0.016 0.000 1.345 19 W CB -1.323 28.129 29.460 -0.013 0.000 1.118 19 W HN 0.286 nan 8.180 nan 0.000 0.629 20 S N 2.208 117.459 115.700 -0.748 0.000 2.531 20 S HA 0.103 4.573 4.470 -0.000 0.000 0.279 20 S C -0.242 174.176 174.600 -0.303 0.000 1.305 20 S CA -0.042 57.714 58.200 -0.739 0.000 1.058 20 S CB 1.368 64.038 63.200 -0.884 0.000 0.899 20 S HN 0.121 nan 8.310 nan 0.000 0.493 21 E N 4.193 124.280 120.200 -0.188 0.000 2.130 21 E HA 0.280 4.630 4.350 -0.000 0.000 0.284 21 E C -1.637 174.877 176.600 -0.144 0.000 1.018 21 E CA -2.200 54.118 56.400 -0.136 0.000 0.817 21 E CB 0.842 30.483 29.700 -0.098 0.000 1.078 21 E HN 0.218 nan 8.360 nan 0.000 0.396 22 P HA -0.042 nan 4.420 nan 0.000 0.225 22 P C -0.070 177.174 177.300 -0.093 0.000 1.156 22 P CA 0.543 63.574 63.100 -0.115 0.000 0.787 22 P CB 0.321 31.954 31.700 -0.112 0.000 0.802 23 L N -0.016 121.132 121.223 -0.125 0.000 2.278 23 L HA 0.181 4.521 4.340 -0.000 0.000 0.287 23 L C 1.875 178.652 176.870 -0.155 0.000 1.072 23 L CA -0.731 54.026 54.840 -0.138 0.000 0.819 23 L CB 0.443 42.381 42.059 -0.201 0.000 1.176 23 L HN -0.152 nan 8.230 nan 0.000 0.435 24 Y N 2.865 123.016 120.300 -0.248 0.000 2.151 24 Y HA -0.324 4.225 4.550 -0.000 0.000 0.284 24 Y C 2.364 177.927 175.900 -0.561 0.000 1.166 24 Y CA 2.200 60.127 58.100 -0.289 0.000 1.163 24 Y CB 0.272 38.593 38.460 -0.232 0.000 0.974 24 Y HN 0.664 nan 8.280 nan 0.000 0.511 25 S N 0.049 115.318 115.700 -0.719 0.000 2.481 25 S HA -0.026 4.444 4.470 -0.000 0.000 0.231 25 S C 1.564 175.449 174.600 -1.192 0.000 0.996 25 S CA 1.129 58.399 58.200 -1.550 0.000 0.942 25 S CB -0.199 61.896 63.200 -1.842 0.000 0.768 25 S HN 0.462 nan 8.310 nan 0.000 0.520 26 L N 0.396 121.236 121.223 -0.639 0.000 2.640 26 L HA 0.254 4.594 4.340 -0.000 0.000 0.230 26 L C 0.608 177.353 176.870 -0.208 0.000 1.123 26 L CA -0.052 54.582 54.840 -0.343 0.000 0.900 26 L CB -0.103 41.812 42.059 -0.238 0.000 1.146 26 L HN 0.063 nan 8.230 nan 0.000 0.484 27 R N 0.946 121.304 120.500 -0.238 0.000 2.594 27 R HA 0.075 4.415 4.340 -0.000 0.000 0.272 27 R C -1.325 174.948 176.300 -0.043 0.000 1.074 27 R CA -1.359 54.670 56.100 -0.119 0.000 1.105 27 R CB 0.271 30.487 30.300 -0.140 0.000 1.008 27 R HN -0.188 nan 8.270 nan 0.000 0.472 28 P HA -0.169 nan 4.420 nan 0.000 0.216 28 P C 0.188 177.504 177.300 0.026 0.000 1.150 28 P CA 1.247 64.364 63.100 0.028 0.000 0.837 28 P CB 0.286 32.009 31.700 0.039 0.000 0.786 29 E N -1.925 118.280 120.200 0.009 0.000 2.204 29 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 29 E C 1.877 178.468 176.600 -0.015 0.000 0.990 29 E CA 0.958 57.354 56.400 -0.006 0.000 0.821 29 E CB -1.206 28.482 29.700 -0.020 0.000 0.750 29 E HN 0.431 nan 8.360 nan 0.000 0.477 30 H N 0.468 119.453 119.070 -0.142 0.000 2.457 30 H HA -0.008 4.548 4.556 -0.000 0.000 0.297 30 H C 1.825 177.187 175.328 0.056 0.000 1.092 30 H CA 1.468 57.417 56.048 -0.164 0.000 1.309 30 H CB -0.138 29.433 29.762 -0.318 0.000 1.382 30 H HN 0.210 nan 8.280 nan 0.000 0.535 31 A N 0.586 123.466 122.820 0.099 0.000 2.070 31 A HA -0.123 4.196 4.320 -0.000 0.000 0.220 31 A C 2.203 179.802 177.584 0.025 0.000 1.159 31 A CA 1.156 53.265 52.037 0.120 0.000 0.656 31 A CB -0.299 18.763 19.000 0.104 0.000 0.800 31 A HN 0.470 nan 8.150 nan 0.000 0.453 32 R N -0.184 120.309 120.500 -0.011 0.000 2.316 32 R HA -0.007 4.333 4.340 -0.000 0.000 0.202 32 R C 0.530 176.804 176.300 -0.044 0.000 1.029 32 R CA 0.663 56.746 56.100 -0.027 0.000 1.018 32 R CB 0.029 30.317 30.300 -0.021 0.000 0.888 32 R HN 0.445 nan 8.270 nan 0.000 0.471 33 E N 0.662 120.823 120.200 -0.064 0.000 2.489 33 E HA 0.039 4.389 4.350 -0.000 0.000 0.193 33 E C 0.308 176.901 176.600 -0.012 0.000 1.057 33 E CA 0.114 56.485 56.400 -0.048 0.000 0.866 33 E CB 0.185 29.792 29.700 -0.156 0.000 0.916 33 E HN 0.102 nan 8.360 nan 0.000 0.500 34 R N 0.970 121.408 120.500 -0.103 0.000 2.734 34 R HA 0.054 4.394 4.340 -0.000 0.000 0.266 34 R C 0.541 176.744 176.300 -0.161 0.000 1.044 34 R CA -0.571 55.357 56.100 -0.287 0.000 1.128 34 R CB 0.165 30.270 30.300 -0.325 0.000 1.010 34 R HN 0.055 nan 8.270 nan 0.000 0.461 35 L N 2.344 123.464 121.223 -0.171 0.000 2.540 35 L HA -0.073 4.267 4.340 -0.000 0.000 0.276 35 L C -0.111 176.715 176.870 -0.074 0.000 1.212 35 L CA 1.069 55.852 54.840 -0.096 0.000 0.893 35 L CB 0.223 42.229 42.059 -0.088 0.000 1.138 35 L HN 0.400 nan 8.230 nan 0.000 0.491 36 Q N 3.734 123.505 119.800 -0.048 0.000 2.368 36 Q HA 0.182 4.522 4.340 -0.000 0.000 0.256 36 Q C -0.168 175.817 176.000 -0.026 0.000 0.980 36 Q CA -0.277 55.505 55.803 -0.035 0.000 0.887 36 Q CB 1.000 29.722 28.738 -0.026 0.000 1.221 36 Q HN 0.725 nan 8.270 nan 0.000 0.458 37 D N 1.716 122.101 120.400 -0.026 0.000 2.340 37 D HA -0.056 4.583 4.640 -0.000 0.000 0.217 37 D C -0.419 175.874 176.300 -0.012 0.000 1.081 37 D CA -0.124 53.865 54.000 -0.018 0.000 0.842 37 D CB 0.289 41.077 40.800 -0.020 0.000 0.934 37 D HN 0.423 nan 8.370 nan 0.000 0.511 38 D N 0.071 120.464 120.400 -0.012 0.000 2.882 38 D HA -0.228 4.412 4.640 -0.000 0.000 0.229 38 D C -0.088 176.208 176.300 -0.007 0.000 1.167 38 D CA 1.110 55.105 54.000 -0.008 0.000 0.759 38 D CB -1.825 38.973 40.800 -0.004 0.000 1.088 38 D HN 0.263 nan 8.370 nan 0.000 0.425 39 S N -2.792 112.903 115.700 -0.009 0.000 3.358 39 S HA -0.238 4.232 4.470 -0.000 0.000 0.309 39 S C 0.317 174.913 174.600 -0.006 0.000 1.247 39 S CA 0.986 59.181 58.200 -0.008 0.000 0.961 39 S CB -0.774 62.422 63.200 -0.007 0.000 1.074 39 S HN 0.386 nan 8.310 nan 0.000 0.625 40 V N 1.960 121.871 119.914 -0.005 0.000 2.313 40 V HA 0.304 4.424 4.120 -0.000 0.000 0.278 40 V C 0.345 176.437 176.094 -0.002 0.000 1.017 40 V CA -0.514 61.785 62.300 -0.002 0.000 0.823 40 V CB 1.470 33.293 31.823 0.000 0.000 1.010 40 V HN 0.297 nan 8.190 nan 0.000 0.443 41 E N 3.314 123.512 120.200 -0.002 0.000 2.227 41 E HA 0.590 4.940 4.350 -0.000 0.000 0.282 41 E C 0.016 176.617 176.600 0.002 0.000 1.015 41 E CA -0.262 56.136 56.400 -0.002 0.000 0.823 41 E CB 1.950 31.647 29.700 -0.004 0.000 1.081 41 E HN 0.819 nan 8.360 nan 0.000 0.396 42 T N -2.064 112.493 114.554 0.004 0.000 2.838 42 T HA 0.216 4.566 4.350 -0.000 0.000 0.292 42 T C 1.037 175.742 174.700 0.009 0.000 1.113 42 T CA -0.800 61.305 62.100 0.008 0.000 1.008 42 T CB 0.957 69.832 68.868 0.012 0.000 1.259 42 T HN 0.099 nan 8.240 nan 0.000 0.520 43 V N 1.128 121.049 119.914 0.013 0.000 2.324 43 V HA -0.203 3.917 4.120 -0.000 0.000 0.250 43 V C 2.952 179.055 176.094 0.016 0.000 1.060 43 V CA 2.804 65.112 62.300 0.015 0.000 1.042 43 V CB -1.407 30.427 31.823 0.019 0.000 0.650 43 V HN 1.113 nan 8.190 nan 0.000 0.450 44 T N 0.467 115.032 114.554 0.019 0.000 2.665 44 T HA -0.213 4.136 4.350 -0.000 0.000 0.268 44 T C 2.078 176.785 174.700 0.012 0.000 1.035 44 T CA 2.161 64.273 62.100 0.021 0.000 1.151 44 T CB -0.369 68.514 68.868 0.025 0.000 0.862 44 T HN 0.763 nan 8.240 nan 0.000 0.438 45 S N 1.012 116.715 115.700 0.006 0.000 2.414 45 S HA 0.063 4.533 4.470 -0.000 0.000 0.227 45 S C 2.111 176.706 174.600 -0.008 0.000 1.022 45 S CA 0.461 58.659 58.200 -0.004 0.000 0.958 45 S CB -0.685 62.511 63.200 -0.007 0.000 0.797 45 S HN 0.473 nan 8.310 nan 0.000 0.493 46 I N 1.829 122.397 120.570 -0.004 0.000 2.179 46 I HA -0.147 4.023 4.170 -0.000 0.000 0.242 46 I C 2.851 178.966 176.117 -0.004 0.000 1.088 46 I CA 1.454 62.751 61.300 -0.005 0.000 1.357 46 I CB -0.325 37.675 38.000 -0.001 0.000 1.051 46 I HN 0.266 nan 8.210 nan 0.000 0.409 47 E N 0.279 120.482 120.200 0.004 0.000 2.072 47 E HA -0.262 4.088 4.350 -0.000 0.000 0.191 47 E C 2.008 178.613 176.600 0.008 0.000 0.985 47 E CA 1.127 57.533 56.400 0.010 0.000 0.801 47 E CB -0.328 29.384 29.700 0.020 0.000 0.750 47 E HN 0.425 nan 8.360 nan 0.000 0.452 48 Q N 0.981 120.783 119.800 0.004 0.000 2.084 48 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 48 Q C 1.958 177.946 176.000 -0.021 0.000 0.978 48 Q CA 1.999 57.801 55.803 -0.002 0.000 0.844 48 Q CB -0.446 28.288 28.738 -0.006 0.000 0.898 48 Q HN 0.189 nan 8.270 nan 0.000 0.426 49 A N 0.467 123.267 122.820 -0.033 0.000 1.902 49 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 49 A C 2.023 179.580 177.584 -0.045 0.000 1.181 49 A CA 1.776 53.779 52.037 -0.056 0.000 0.623 49 A CB -0.487 18.483 19.000 -0.050 0.000 0.818 49 A HN 0.423 nan 8.150 nan 0.000 0.443 50 K N -0.558 119.829 120.400 -0.022 0.000 2.026 50 K HA -0.085 4.235 4.320 -0.000 0.000 0.208 50 K C 1.885 178.483 176.600 -0.003 0.000 1.048 50 K CA 1.474 57.754 56.287 -0.012 0.000 0.929 50 K CB -0.386 32.113 32.500 -0.003 0.000 0.713 50 K HN 0.291 nan 8.250 nan 0.000 0.439 51 V N 1.868 121.788 119.914 0.010 0.000 2.295 51 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 51 V C 2.014 178.135 176.094 0.045 0.000 1.049 51 V CA 1.812 64.133 62.300 0.034 0.000 1.024 51 V CB -0.412 31.442 31.823 0.052 0.000 0.648 51 V HN 0.348 nan 8.190 nan 0.000 0.447 52 E N -0.445 119.760 120.200 0.008 0.000 2.110 52 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 52 E C 2.308 178.885 176.600 -0.038 0.000 0.988 52 E CA 1.209 57.586 56.400 -0.039 0.000 0.804 52 E CB -0.131 29.393 29.700 -0.294 0.000 0.745 52 E HN 0.630 nan 8.360 nan 0.000 0.458 53 E N 1.186 121.357 120.200 -0.047 0.000 2.072 53 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 53 E C 2.009 178.622 176.600 0.022 0.000 0.985 53 E CA 1.024 57.413 56.400 -0.018 0.000 0.801 53 E CB 0.128 29.814 29.700 -0.023 0.000 0.750 53 E HN -0.073 nan 8.360 nan 0.000 0.452 54 K N 0.736 121.145 120.400 0.015 0.000 2.057 54 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 54 K C 2.002 178.593 176.600 -0.016 0.000 1.050 54 K CA 0.995 57.285 56.287 0.005 0.000 0.935 54 K CB -0.212 32.290 32.500 0.003 0.000 0.715 54 K HN 0.114 nan 8.250 nan 0.000 0.439 55 I N 0.948 121.517 120.570 -0.003 0.000 2.315 55 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 55 I C 2.262 178.227 176.117 -0.254 0.000 1.117 55 I CA 1.197 62.403 61.300 -0.158 0.000 1.404 55 I CB -1.196 36.774 38.000 -0.050 0.000 1.071 55 I HN 0.346 nan 8.210 nan 0.000 0.419 56 Q N 1.629 121.511 119.800 0.135 0.000 2.096 56 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 56 Q C 2.016 178.123 176.000 0.179 0.000 0.982 56 Q CA 1.797 57.785 55.803 0.308 0.000 0.850 56 Q CB -0.163 28.781 28.738 0.343 0.000 0.901 56 Q HN 0.499 nan 8.270 nan 0.000 0.422 57 E N -1.026 119.239 120.200 0.108 0.000 2.085 57 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 57 E C 1.957 178.591 176.600 0.057 0.000 0.994 57 E CA 1.516 57.984 56.400 0.113 0.000 0.801 57 E CB -0.052 29.686 29.700 0.063 0.000 0.743 57 E HN 0.213 nan 8.360 nan 0.000 0.453 58 V N 0.799 120.688 119.914 -0.042 0.000 2.261 58 V HA -0.258 3.861 4.120 -0.000 0.000 0.246 58 V C 2.002 178.140 176.094 0.072 0.000 1.047 58 V CA 1.796 64.056 62.300 -0.067 0.000 1.015 58 V CB -0.647 31.085 31.823 -0.151 0.000 0.642 58 V HN 0.286 nan 8.190 nan 0.000 0.446 59 F N 0.346 120.355 119.950 0.098 0.000 2.161 59 F HA -0.198 4.329 4.527 -0.000 0.000 0.300 59 F C 2.597 178.452 175.800 0.093 0.000 1.089 59 F CA 1.332 59.395 58.000 0.104 0.000 1.282 59 F CB -0.262 38.768 39.000 0.049 0.000 1.010 59 F HN 0.119 nan 8.300 nan 0.000 0.485 60 S N -0.491 115.329 115.700 0.200 0.000 2.496 60 S HA -0.114 4.356 4.470 -0.000 0.000 0.224 60 S C 2.082 176.612 174.600 -0.115 0.000 0.996 60 S CA 0.790 58.951 58.200 -0.065 0.000 0.927 60 S CB -0.271 62.822 63.200 -0.179 0.000 0.774 60 S HN 0.443 nan 8.310 nan 0.000 0.524 61 S N 1.362 117.048 115.700 -0.024 0.000 2.374 61 S HA -0.244 4.225 4.470 -0.000 0.000 0.227 61 S C 1.582 176.070 174.600 -0.187 0.000 1.037 61 S CA 1.327 59.465 58.200 -0.103 0.000 1.024 61 S CB -0.985 62.062 63.200 -0.256 0.000 0.861 61 S HN 0.598 nan 8.310 nan 0.000 0.456 62 Y N 2.277 122.564 120.300 -0.022 0.000 2.128 62 Y HA -0.078 4.472 4.550 -0.000 0.000 0.284 62 Y C 2.789 178.633 175.900 -0.093 0.000 1.154 62 Y CA 1.625 59.702 58.100 -0.040 0.000 1.149 62 Y CB -0.471 37.971 38.460 -0.031 0.000 0.976 62 Y HN 0.283 nan 8.280 nan 0.000 0.505 63 K N 0.122 120.515 120.400 -0.012 0.000 2.057 63 K HA -0.154 4.165 4.320 -0.000 0.000 0.206 63 K C 1.848 178.291 176.600 -0.261 0.000 1.050 63 K CA 1.540 57.737 56.287 -0.149 0.000 0.935 63 K CB -0.498 31.847 32.500 -0.258 0.000 0.715 63 K HN 0.296 nan 8.250 nan 0.000 0.439 64 F N 1.241 121.090 119.950 -0.168 0.000 2.216 64 F HA -0.121 4.406 4.527 -0.000 0.000 0.300 64 F C 1.826 177.320 175.800 -0.509 0.000 1.085 64 F CA 0.393 58.223 58.000 -0.283 0.000 1.326 64 F CB 0.003 38.923 39.000 -0.133 0.000 1.027 64 F HN 0.128 nan 8.300 nan 0.000 0.497 65 N N -1.033 117.566 118.700 -0.170 0.000 2.336 65 N HA -0.062 4.678 4.740 -0.000 0.000 0.189 65 N C -0.393 175.078 175.510 -0.065 0.000 1.113 65 N CA 0.477 53.452 53.050 -0.126 0.000 0.858 65 N CB -0.337 38.131 38.487 -0.031 0.000 0.970 65 N HN 0.292 nan 8.380 nan 0.000 0.471 66 H N -0.569 118.560 119.070 0.098 0.000 2.819 66 H HA -0.137 4.419 4.556 -0.000 0.000 0.315 66 H C -0.461 174.912 175.328 0.075 0.000 1.242 66 H CA 0.549 56.644 56.048 0.078 0.000 1.157 66 H CB -2.106 27.696 29.762 0.067 0.000 1.451 66 H HN 0.229 nan 8.280 nan 0.000 0.430 67 L N -0.355 120.959 121.223 0.153 0.000 2.333 67 L HA 0.568 4.908 4.340 -0.000 0.000 0.263 67 L C 0.626 177.574 176.870 0.130 0.000 1.014 67 L CA -1.325 53.601 54.840 0.144 0.000 0.820 67 L CB 2.495 44.653 42.059 0.164 0.000 1.352 67 L HN 0.068 nan 8.230 nan 0.000 0.421 68 V N 1.267 121.227 119.914 0.076 0.000 2.498 68 V HA 0.434 4.554 4.120 -0.000 0.000 0.279 68 V C -2.206 173.856 176.094 -0.052 0.000 1.048 68 V CA -1.413 60.891 62.300 0.006 0.000 0.967 68 V CB 0.814 32.627 31.823 -0.017 0.000 0.988 68 V HN 0.571 nan 8.190 nan 0.000 0.473 69 P HA 0.284 nan 4.420 nan 0.000 0.265 69 P C -1.103 176.004 177.300 -0.322 0.000 1.193 69 P CA 0.125 62.819 63.100 -0.678 0.000 0.765 69 P CB 0.157 31.312 31.700 -0.908 0.000 0.823 70 R N 2.708 123.081 120.500 -0.212 0.000 2.502 70 R HA 0.480 4.820 4.340 -0.000 0.000 0.298 70 R C -1.220 175.051 176.300 -0.048 0.000 1.018 70 R CA -0.718 55.328 56.100 -0.089 0.000 0.899 70 R CB 0.724 31.012 30.300 -0.021 0.000 1.181 70 R HN 0.285 nan 8.270 nan 0.000 0.444 71 L N 4.006 125.193 121.223 -0.059 0.000 2.268 71 L HA 0.434 4.774 4.340 -0.000 0.000 0.289 71 L C -0.605 176.267 176.870 0.003 0.000 1.064 71 L CA -1.043 53.787 54.840 -0.016 0.000 0.824 71 L CB 1.470 43.512 42.059 -0.028 0.000 1.202 71 L HN 0.434 nan 8.230 nan 0.000 0.433 72 V N 4.594 124.523 119.914 0.024 0.000 2.444 72 V HA 0.258 4.378 4.120 -0.000 0.000 0.294 72 V C -0.058 176.059 176.094 0.037 0.000 1.022 72 V CA -0.672 61.641 62.300 0.021 0.000 0.850 72 V CB 2.338 34.170 31.823 0.014 0.000 0.992 72 V HN 0.463 nan 8.190 nan 0.000 0.426 73 L N 5.268 126.519 121.223 0.047 0.000 2.361 73 L HA 0.318 4.658 4.340 -0.000 0.000 0.278 73 L C 0.718 177.621 176.870 0.055 0.000 1.113 73 L CA 0.539 55.433 54.840 0.091 0.000 0.849 73 L CB 0.747 42.865 42.059 0.099 0.000 1.155 73 L HN 0.613 nan 8.230 nan 0.000 0.452 74 Q N 5.791 125.588 119.800 -0.006 0.000 3.026 74 Q HA 0.085 4.425 4.340 -0.000 0.000 0.258 74 Q C 1.007 176.842 176.000 -0.274 0.000 1.388 74 Q CA 0.148 55.831 55.803 -0.199 0.000 1.000 74 Q CB -0.112 28.433 28.738 -0.322 0.000 1.634 74 Q HN 0.713 nan 8.270 nan 0.000 0.571 75 R N 0.482 120.965 120.500 -0.029 0.000 2.091 75 R HA -0.222 4.118 4.340 -0.000 0.000 0.238 75 R C 1.865 178.217 176.300 0.087 0.000 1.136 75 R CA 1.622 57.767 56.100 0.075 0.000 0.959 75 R CB 0.093 30.428 30.300 0.058 0.000 0.856 75 R HN 0.365 nan 8.270 nan 0.000 0.437 76 E N 1.072 121.294 120.200 0.035 0.000 2.072 76 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 76 E C 1.650 178.338 176.600 0.146 0.000 0.985 76 E CA 1.313 57.777 56.400 0.106 0.000 0.801 76 E CB 0.166 29.894 29.700 0.047 0.000 0.750 76 E HN 0.010 nan 8.360 nan 0.000 0.452 77 K N 0.024 120.418 120.400 -0.009 0.000 2.057 77 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 77 K C 2.163 178.822 176.600 0.098 0.000 1.049 77 K CA 1.500 57.773 56.287 -0.024 0.000 0.931 77 K CB -0.625 31.762 32.500 -0.190 0.000 0.714 77 K HN 0.411 nan 8.250 nan 0.000 0.440 78 H N -0.334 118.842 119.070 0.176 0.000 2.357 78 H HA -0.094 4.462 4.556 -0.000 0.000 0.301 78 H C 2.011 177.504 175.328 0.276 0.000 1.082 78 H CA 1.038 57.214 56.048 0.213 0.000 1.342 78 H CB -0.707 29.147 29.762 0.153 0.000 1.389 78 H HN 0.159 nan 8.280 nan 0.000 0.511 79 F N 1.707 121.794 119.950 0.229 0.000 2.126 79 F HA -0.248 4.279 4.527 -0.000 0.000 0.299 79 F C 2.862 178.763 175.800 0.167 0.000 1.096 79 F CA 1.878 59.973 58.000 0.158 0.000 1.255 79 F CB -0.464 38.597 39.000 0.102 0.000 0.997 79 F HN 0.244 nan 8.300 nan 0.000 0.479 80 H N -1.191 117.892 119.070 0.022 0.000 2.353 80 H HA -0.252 4.304 4.556 -0.000 0.000 0.300 80 H C 2.217 177.541 175.328 -0.007 0.000 1.090 80 H CA 2.129 58.127 56.048 -0.083 0.000 1.327 80 H CB -0.988 28.805 29.762 0.052 0.000 1.383 80 H HN 0.436 nan 8.280 nan 0.000 0.508 81 Y N 1.501 121.796 120.300 -0.007 0.000 2.128 81 Y HA -0.225 4.325 4.550 -0.000 0.000 0.284 81 Y C 2.656 178.595 175.900 0.065 0.000 1.154 81 Y CA 1.777 59.889 58.100 0.021 0.000 1.149 81 Y CB -0.734 37.800 38.460 0.123 0.000 0.976 81 Y HN 0.147 nan 8.280 nan 0.000 0.505 82 L N 0.389 121.613 121.223 0.001 0.000 2.027 82 L HA -0.229 4.111 4.340 -0.000 0.000 0.206 82 L C 2.642 179.314 176.870 -0.329 0.000 1.074 82 L CA 2.071 56.831 54.840 -0.133 0.000 0.745 82 L CB -0.741 41.299 42.059 -0.032 0.000 0.898 82 L HN 0.160 nan 8.230 nan 0.000 0.433 83 K N 0.581 120.697 120.400 -0.473 0.000 2.103 83 K HA -0.260 4.060 4.320 -0.000 0.000 0.207 83 K C 2.326 178.692 176.600 -0.391 0.000 1.048 83 K CA 1.657 57.634 56.287 -0.517 0.000 0.930 83 K CB -0.110 31.886 32.500 -0.840 0.000 0.716 83 K HN 0.135 nan 8.250 nan 0.000 0.444 84 R N -0.070 120.186 120.500 -0.405 0.000 2.057 84 R HA -0.054 4.286 4.340 -0.000 0.000 0.229 84 R C 2.444 178.562 176.300 -0.304 0.000 1.136 84 R CA 1.603 57.509 56.100 -0.323 0.000 0.952 84 R CB -0.733 29.363 30.300 -0.339 0.000 0.848 84 R HN 0.399 nan 8.270 nan 0.000 0.430 85 G N 1.369 109.955 108.800 -0.357 0.000 2.475 85 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.220 85 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.220 85 G C 1.263 175.796 174.900 -0.611 0.000 1.125 85 G CA 0.677 45.434 45.100 -0.573 0.000 0.755 85 G HN 0.313 nan 8.290 nan 0.000 0.565 86 L N -0.458 120.469 121.223 -0.494 0.000 2.275 86 L HA 0.211 4.551 4.340 -0.000 0.000 0.215 86 L C 2.505 179.178 176.870 -0.329 0.000 1.119 86 L CA 1.515 56.115 54.840 -0.399 0.000 0.790 86 L CB -0.189 41.688 42.059 -0.304 0.000 0.919 86 L HN 0.120 nan 8.230 nan 0.000 0.443 87 R N -1.303 119.020 120.500 -0.296 0.000 2.121 87 R HA 0.279 4.619 4.340 -0.000 0.000 0.206 87 R C 0.274 176.437 176.300 -0.228 0.000 1.094 87 R CA 0.451 56.410 56.100 -0.236 0.000 1.055 87 R CB 0.268 30.458 30.300 -0.185 0.000 0.964 87 R HN 0.401 nan 8.270 nan 0.000 0.473 88 Q N -0.162 119.506 119.800 -0.220 0.000 2.309 88 Q HA 0.491 4.830 4.340 -0.000 0.000 0.273 88 Q C -1.787 174.120 176.000 -0.156 0.000 1.040 88 Q CA -0.598 55.106 55.803 -0.164 0.000 0.834 88 Q CB 1.840 30.513 28.738 -0.108 0.000 1.345 88 Q HN 0.056 nan 8.270 nan 0.000 0.414 89 L N 1.505 122.660 121.223 -0.114 0.000 2.370 89 L HA 0.595 4.935 4.340 -0.000 0.000 0.266 89 L C 0.411 177.327 176.870 0.077 0.000 1.002 89 L CA -0.893 53.912 54.840 -0.060 0.000 0.818 89 L CB 2.118 44.069 42.059 -0.180 0.000 1.325 89 L HN 0.773 nan 8.230 nan 0.000 0.418 90 T N -3.369 111.296 114.554 0.186 0.000 2.726 90 T HA 0.047 4.397 4.350 -0.000 0.000 0.294 90 T C 0.762 175.592 174.700 0.217 0.000 1.013 90 T CA -0.115 62.096 62.100 0.185 0.000 0.996 90 T CB 0.588 69.567 68.868 0.185 0.000 1.016 90 T HN 0.754 nan 8.240 nan 0.000 0.529 91 D N -0.405 120.080 120.400 0.141 0.000 2.378 91 D HA 0.053 4.693 4.640 -0.000 0.000 0.227 91 D C 1.908 178.269 176.300 0.102 0.000 1.012 91 D CA 0.728 54.797 54.000 0.116 0.000 0.905 91 D CB -0.758 40.085 40.800 0.071 0.000 0.895 91 D HN 0.674 nan 8.370 nan 0.000 0.532 92 A N -0.273 122.615 122.820 0.114 0.000 2.076 92 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 92 A C 1.187 178.675 177.584 -0.160 0.000 1.160 92 A CA 0.715 52.740 52.037 -0.020 0.000 0.653 92 A CB -0.909 18.069 19.000 -0.037 0.000 0.801 92 A HN 0.357 nan 8.150 nan 0.000 0.455 93 Y N -0.101 120.260 120.300 0.102 0.000 2.493 93 Y HA 0.145 4.695 4.550 -0.000 0.000 0.275 93 Y C 1.836 177.792 175.900 0.094 0.000 1.183 93 Y CA 0.040 58.213 58.100 0.123 0.000 1.258 93 Y CB -0.026 38.526 38.460 0.154 0.000 1.108 93 Y HN 0.436 nan 8.280 nan 0.000 0.521 94 E N -0.243 120.039 120.200 0.137 0.000 2.118 94 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 94 E C 2.031 178.683 176.600 0.086 0.000 0.992 94 E CA 1.671 58.131 56.400 0.100 0.000 0.804 94 E CB -0.262 29.477 29.700 0.064 0.000 0.741 94 E HN 0.645 nan 8.360 nan 0.000 0.458 95 C N -0.476 118.861 119.300 0.061 0.000 2.466 95 C HA 0.096 4.555 4.460 -0.000 0.000 0.283 95 C C 1.805 176.848 174.990 0.088 0.000 1.472 95 C CA -0.156 58.892 59.018 0.050 0.000 1.765 95 C CB -1.037 26.710 27.740 0.012 0.000 1.724 95 C HN 0.212 nan 8.230 nan 0.000 0.560 96 L N 0.728 122.042 121.223 0.151 0.000 2.910 96 L HA 0.227 4.567 4.340 -0.000 0.000 0.252 96 L C 1.690 178.667 176.870 0.179 0.000 1.195 96 L CA 0.242 55.206 54.840 0.206 0.000 1.003 96 L CB -0.306 41.969 42.059 0.360 0.000 1.328 96 L HN 0.167 nan 8.230 nan 0.000 0.540 97 D N 1.213 121.693 120.400 0.134 0.000 2.309 97 D HA -0.130 4.510 4.640 -0.000 0.000 0.212 97 D C 1.725 178.083 176.300 0.097 0.000 0.968 97 D CA 1.033 55.100 54.000 0.110 0.000 0.882 97 D CB 0.453 41.303 40.800 0.083 0.000 0.918 97 D HN 0.276 nan 8.370 nan 0.000 0.503 98 A N -0.916 121.957 122.820 0.087 0.000 2.507 98 A HA 0.388 4.708 4.320 -0.000 0.000 0.270 98 A C 0.833 178.475 177.584 0.095 0.000 1.318 98 A CA -0.255 51.820 52.037 0.065 0.000 0.924 98 A CB 0.409 19.424 19.000 0.024 0.000 1.061 98 A HN 0.049 nan 8.150 nan 0.000 0.516 99 S N -0.851 114.941 115.700 0.153 0.000 3.025 99 S HA 0.174 4.644 4.470 -0.000 0.000 0.251 99 S C 1.105 175.831 174.600 0.208 0.000 0.954 99 S CA -0.485 57.866 58.200 0.252 0.000 1.092 99 S CB 0.080 63.441 63.200 0.268 0.000 1.079 99 S HN 0.591 nan 8.310 nan 0.000 0.543 100 R N 1.838 122.437 120.500 0.165 0.000 2.115 100 R HA -0.017 4.323 4.340 -0.000 0.000 0.230 100 R C -1.154 175.213 176.300 0.111 0.000 1.111 100 R CA 1.181 57.376 56.100 0.159 0.000 0.976 100 R CB -1.118 29.334 30.300 0.255 0.000 0.870 100 R HN 0.292 nan 8.270 nan 0.000 0.445 101 P HA -0.135 nan 4.420 nan 0.000 0.221 101 P C 0.304 177.439 177.300 -0.274 0.000 1.150 101 P CA 0.949 63.974 63.100 -0.125 0.000 0.800 101 P CB -0.051 31.489 31.700 -0.267 0.000 0.787 102 W N -0.471 120.642 121.300 -0.312 0.000 2.358 102 W HA -0.086 4.574 4.660 -0.000 0.000 0.303 102 W C 2.123 178.063 176.519 -0.965 0.000 1.208 102 W CA 0.562 57.462 57.345 -0.743 0.000 1.274 102 W CB -0.994 27.868 29.460 -0.996 0.000 1.138 102 W HN -0.131 nan 8.180 nan 0.000 0.515 103 L N -0.998 120.059 121.223 -0.277 0.000 2.046 103 L HA -0.284 4.056 4.340 -0.000 0.000 0.208 103 L C 2.410 179.184 176.870 -0.159 0.000 1.077 103 L CA 1.158 55.933 54.840 -0.108 0.000 0.747 103 L CB -1.117 40.902 42.059 -0.067 0.000 0.896 103 L HN 0.065 nan 8.230 nan 0.000 0.432 104 C N -1.179 118.029 119.300 -0.153 0.000 2.413 104 C HA -0.246 4.214 4.460 -0.000 0.000 0.276 104 C C 2.765 177.694 174.990 -0.102 0.000 1.236 104 C CA 0.843 59.780 59.018 -0.135 0.000 1.735 104 C CB -0.873 26.819 27.740 -0.081 0.000 2.031 104 C HN 0.576 nan 8.230 nan 0.000 0.474 105 Y N 0.545 120.699 120.300 -0.244 0.000 2.163 105 Y HA -0.162 4.388 4.550 -0.000 0.000 0.288 105 Y C 2.293 178.197 175.900 0.005 0.000 1.136 105 Y CA 1.380 59.362 58.100 -0.197 0.000 1.147 105 Y CB -0.746 37.511 38.460 -0.337 0.000 0.987 105 Y HN 0.375 nan 8.280 nan 0.000 0.509 106 W N 0.645 121.781 121.300 -0.273 0.000 2.338 106 W HA -0.211 4.448 4.660 -0.000 0.000 0.304 106 W C 2.420 178.757 176.519 -0.303 0.000 1.212 106 W CA 1.441 58.553 57.345 -0.389 0.000 1.264 106 W CB -1.228 28.205 29.460 -0.044 0.000 1.142 106 W HN 0.211 nan 8.180 nan 0.000 0.512 107 I N -0.425 120.127 120.570 -0.030 0.000 2.277 107 I HA -0.270 3.900 4.170 -0.000 0.000 0.243 107 I C 2.446 178.495 176.117 -0.113 0.000 1.094 107 I CA 0.961 62.186 61.300 -0.124 0.000 1.393 107 I CB -0.868 36.941 38.000 -0.319 0.000 1.078 107 I HN -0.204 nan 8.210 nan 0.000 0.417 108 L N 0.053 121.211 121.223 -0.109 0.000 2.079 108 L HA -0.280 4.060 4.340 -0.000 0.000 0.210 108 L C 2.750 179.601 176.870 -0.031 0.000 1.081 108 L CA 1.513 56.316 54.840 -0.063 0.000 0.752 108 L CB -0.841 41.193 42.059 -0.042 0.000 0.896 108 L HN 0.351 nan 8.230 nan 0.000 0.433 109 H N -0.390 118.557 119.070 -0.205 0.000 2.357 109 H HA -0.090 4.466 4.556 -0.000 0.000 0.301 109 H C 2.387 177.616 175.328 -0.165 0.000 1.082 109 H CA 1.579 57.499 56.048 -0.214 0.000 1.342 109 H CB 0.069 29.556 29.762 -0.459 0.000 1.389 109 H HN 0.125 nan 8.280 nan 0.000 0.511 110 S N 0.070 115.620 115.700 -0.251 0.000 2.368 110 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 110 S C 2.338 176.865 174.600 -0.122 0.000 1.030 110 S CA 1.283 59.348 58.200 -0.225 0.000 0.999 110 S CB -0.316 62.823 63.200 -0.101 0.000 0.844 110 S HN 0.359 nan 8.310 nan 0.000 0.459 111 L N 1.310 122.502 121.223 -0.053 0.000 2.046 111 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 111 L C 2.772 179.641 176.870 -0.001 0.000 1.077 111 L CA 1.548 56.406 54.840 0.029 0.000 0.747 111 L CB -0.562 41.527 42.059 0.050 0.000 0.896 111 L HN 0.451 nan 8.230 nan 0.000 0.432 112 E N 0.879 121.053 120.200 -0.044 0.000 2.077 112 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 112 E C 2.317 178.876 176.600 -0.067 0.000 0.989 112 E CA 1.210 57.591 56.400 -0.033 0.000 0.800 112 E CB -0.145 29.566 29.700 0.018 0.000 0.746 112 E HN 0.476 nan 8.360 nan 0.000 0.452 113 L N 0.569 121.689 121.223 -0.173 0.000 2.083 113 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 113 L C 2.399 179.240 176.870 -0.049 0.000 1.083 113 L CA 0.836 55.590 54.840 -0.144 0.000 0.752 113 L CB -0.212 41.694 42.059 -0.256 0.000 0.899 113 L HN 0.256 nan 8.230 nan 0.000 0.433 114 L N -0.656 120.548 121.223 -0.031 0.000 2.599 114 L HA -0.018 4.322 4.340 -0.000 0.000 0.230 114 L C 0.428 177.297 176.870 -0.001 0.000 1.141 114 L CA -0.028 54.820 54.840 0.013 0.000 0.877 114 L CB -0.397 41.702 42.059 0.066 0.000 1.009 114 L HN 0.248 nan 8.230 nan 0.000 0.447 115 D N 1.100 121.494 120.400 -0.009 0.000 2.772 115 D HA -0.178 4.462 4.640 -0.000 0.000 0.233 115 D C -0.020 176.259 176.300 -0.035 0.000 1.143 115 D CA 0.644 54.634 54.000 -0.016 0.000 0.700 115 D CB -0.334 40.456 40.800 -0.016 0.000 1.076 115 D HN 0.267 nan 8.370 nan 0.000 0.430 116 E N 0.943 121.133 120.200 -0.017 0.000 2.174 116 E HA 0.362 4.712 4.350 -0.000 0.000 0.282 116 E C -1.857 174.753 176.600 0.017 0.000 0.992 116 E CA -1.569 54.813 56.400 -0.029 0.000 0.803 116 E CB 1.124 30.859 29.700 0.059 0.000 1.090 116 E HN 0.289 nan 8.360 nan 0.000 0.396 117 P HA 0.175 nan 4.420 nan 0.000 0.272 117 P C -0.221 177.098 177.300 0.031 0.000 1.230 117 P CA -0.351 62.753 63.100 0.007 0.000 0.788 117 P CB 0.875 32.571 31.700 -0.007 0.000 0.949 118 I N 2.756 123.331 120.570 0.009 0.000 2.307 118 I HA 0.256 4.425 4.170 -0.000 0.000 0.289 118 I C -2.026 174.085 176.117 -0.009 0.000 1.021 118 I CA -3.000 58.300 61.300 0.001 0.000 1.224 118 I CB -0.076 37.911 38.000 -0.022 0.000 1.376 118 I HN 0.155 nan 8.210 nan 0.000 0.470 119 P HA 0.035 nan 4.420 nan 0.000 0.266 119 P C 0.693 177.978 177.300 -0.025 0.000 1.193 119 P CA -0.167 62.928 63.100 -0.008 0.000 0.770 119 P CB 0.702 32.400 31.700 -0.002 0.000 0.836 120 Q N 1.431 121.215 119.800 -0.026 0.000 2.224 120 Q HA -0.071 4.269 4.340 -0.000 0.000 0.203 120 Q C 1.921 177.900 176.000 -0.035 0.000 0.970 120 Q CA 1.330 57.112 55.803 -0.035 0.000 0.865 120 Q CB -0.461 28.257 28.738 -0.033 0.000 0.922 120 Q HN 0.565 nan 8.270 nan 0.000 0.445 121 I N -0.262 120.290 120.570 -0.030 0.000 2.179 121 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 121 I C 2.138 178.232 176.117 -0.038 0.000 1.088 121 I CA 0.822 62.104 61.300 -0.031 0.000 1.357 121 I CB -0.206 37.778 38.000 -0.027 0.000 1.051 121 I HN -0.009 nan 8.210 nan 0.000 0.409 122 V N 0.988 120.876 119.914 -0.043 0.000 2.261 122 V HA -0.329 3.791 4.120 -0.000 0.000 0.246 122 V C 2.724 178.785 176.094 -0.055 0.000 1.047 122 V CA 2.033 64.300 62.300 -0.056 0.000 1.015 122 V CB -1.153 30.635 31.823 -0.058 0.000 0.642 122 V HN 0.513 nan 8.190 nan 0.000 0.446 123 A N -0.496 122.292 122.820 -0.054 0.000 1.884 123 A HA -0.347 3.973 4.320 -0.000 0.000 0.219 123 A C 2.493 180.044 177.584 -0.056 0.000 1.197 123 A CA 3.025 55.024 52.037 -0.063 0.000 0.637 123 A CB -1.222 17.735 19.000 -0.071 0.000 0.827 123 A HN 0.499 nan 8.150 nan 0.000 0.450 124 T N -1.125 113.401 114.554 -0.047 0.000 2.821 124 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 124 T C 1.559 176.247 174.700 -0.019 0.000 1.046 124 T CA 1.869 63.948 62.100 -0.035 0.000 1.139 124 T CB -0.580 68.270 68.868 -0.031 0.000 0.871 124 T HN 0.462 nan 8.240 nan 0.000 0.454 125 D N 0.582 120.969 120.400 -0.022 0.000 2.117 125 D HA -0.051 4.589 4.640 -0.000 0.000 0.197 125 D C 2.280 178.594 176.300 0.022 0.000 0.987 125 D CA 0.891 54.886 54.000 -0.008 0.000 0.829 125 D CB -0.613 40.165 40.800 -0.036 0.000 0.961 125 D HN 0.309 nan 8.370 nan 0.000 0.460 126 V N 0.678 120.591 119.914 -0.002 0.000 2.287 126 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 126 V C 2.731 178.855 176.094 0.050 0.000 1.053 126 V CA 1.355 63.673 62.300 0.029 0.000 1.027 126 V CB -0.627 31.178 31.823 -0.029 0.000 0.646 126 V HN 0.298 nan 8.190 nan 0.000 0.447 127 C N -0.489 118.812 119.300 0.001 0.000 2.393 127 C HA -0.248 4.212 4.460 -0.000 0.000 0.276 127 C C 2.895 177.898 174.990 0.022 0.000 1.215 127 C CA 1.476 60.489 59.018 -0.007 0.000 1.743 127 C CB -1.139 26.585 27.740 -0.028 0.000 2.044 127 C HN 0.614 nan 8.230 nan 0.000 0.464 128 Q N -0.941 118.882 119.800 0.039 0.000 2.119 128 Q HA -0.171 4.169 4.340 -0.000 0.000 0.201 128 Q C 2.012 178.058 176.000 0.076 0.000 0.972 128 Q CA 1.521 57.351 55.803 0.046 0.000 0.847 128 Q CB -0.345 28.419 28.738 0.043 0.000 0.903 128 Q HN 0.769 nan 8.270 nan 0.000 0.433 129 F N 1.179 121.110 119.950 -0.031 0.000 2.134 129 F HA -0.165 4.362 4.527 -0.000 0.000 0.299 129 F C 1.645 177.440 175.800 -0.008 0.000 1.097 129 F CA 1.266 59.248 58.000 -0.030 0.000 1.264 129 F CB -0.161 38.806 39.000 -0.054 0.000 1.001 129 F HN -0.041 nan 8.300 nan 0.000 0.479 130 L N -0.079 121.035 121.223 -0.180 0.000 2.141 130 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 130 L C 2.370 179.229 176.870 -0.018 0.000 1.094 130 L CA 1.335 56.041 54.840 -0.223 0.000 0.763 130 L CB -0.777 41.182 42.059 -0.167 0.000 0.908 130 L HN 0.190 nan 8.230 nan 0.000 0.437 131 E N 0.389 120.587 120.200 -0.003 0.000 2.085 131 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 131 E C 2.305 178.865 176.600 -0.068 0.000 0.994 131 E CA 1.153 57.557 56.400 0.007 0.000 0.801 131 E CB -0.134 29.566 29.700 0.001 0.000 0.743 131 E HN 0.474 nan 8.360 nan 0.000 0.453 132 L N 0.084 121.230 121.223 -0.127 0.000 2.191 132 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 132 L C 2.213 178.967 176.870 -0.195 0.000 1.103 132 L CA 0.468 55.220 54.840 -0.147 0.000 0.769 132 L CB -0.140 41.839 42.059 -0.132 0.000 0.908 132 L HN 0.300 nan 8.230 nan 0.000 0.438 133 C N -1.019 118.126 119.300 -0.257 0.000 2.618 133 C HA -0.001 4.459 4.460 -0.000 0.000 0.264 133 C C 1.432 176.372 174.990 -0.082 0.000 1.334 133 C CA -0.403 58.502 59.018 -0.188 0.000 1.731 133 C CB -0.904 26.684 27.740 -0.253 0.000 1.852 133 C HN 0.402 nan 8.230 nan 0.000 0.566 134 Q N 1.451 121.160 119.800 -0.151 0.000 2.286 134 Q HA 0.257 4.597 4.340 -0.000 0.000 0.257 134 Q C 0.173 175.973 176.000 -0.334 0.000 0.941 134 Q CA 0.083 55.601 55.803 -0.474 0.000 0.912 134 Q CB 0.766 29.104 28.738 -0.666 0.000 1.192 134 Q HN 0.411 nan 8.270 nan 0.000 0.410 135 S N 3.995 119.477 115.700 -0.362 0.000 2.580 135 S HA 0.238 4.707 4.470 -0.000 0.000 0.274 135 S C -1.719 172.759 174.600 -0.204 0.000 1.329 135 S CA -1.396 56.667 58.200 -0.228 0.000 1.036 135 S CB 0.674 63.739 63.200 -0.227 0.000 0.919 135 S HN 0.624 nan 8.310 nan 0.000 0.515 136 P HA -0.027 nan 4.420 nan 0.000 0.219 136 P C 0.143 177.393 177.300 -0.083 0.000 1.146 136 P CA 1.103 64.150 63.100 -0.089 0.000 0.808 136 P CB 0.051 31.722 31.700 -0.048 0.000 0.779 137 D N -0.923 119.426 120.400 -0.084 0.000 2.368 137 D HA 0.305 4.945 4.640 -0.000 0.000 0.218 137 D C 0.932 177.192 176.300 -0.068 0.000 1.112 137 D CA 0.447 54.417 54.000 -0.049 0.000 0.834 137 D CB 0.432 41.228 40.800 -0.007 0.000 0.953 137 D HN 0.121 nan 8.370 nan 0.000 0.505 138 G N -0.158 108.530 108.800 -0.187 0.000 2.640 138 G HA2 0.397 4.357 3.960 -0.000 0.000 0.686 138 G HA3 0.397 4.357 3.960 -0.000 0.000 0.686 138 G C 0.155 174.725 174.900 -0.549 0.000 1.229 138 G CA -0.408 44.550 45.100 -0.236 0.000 0.796 138 G HN 0.583 nan 8.290 nan 0.000 0.654 139 G N -0.781 107.707 108.800 -0.520 0.000 2.781 139 G HA2 0.358 4.318 3.960 -0.000 0.000 0.683 139 G HA3 0.358 4.318 3.960 -0.000 0.000 0.683 139 G C -0.501 174.015 174.900 -0.641 0.000 1.390 139 G CA 0.065 44.829 45.100 -0.559 0.000 0.850 139 G HN 1.729 nan 8.290 nan 0.000 0.557 140 F N 0.447 120.265 119.950 -0.221 0.000 2.522 140 F HA 0.714 5.241 4.527 -0.000 0.000 0.324 140 F C 1.138 176.870 175.800 -0.114 0.000 1.077 140 F CA 0.259 58.156 58.000 -0.172 0.000 0.944 140 F CB 2.132 41.030 39.000 -0.169 0.000 1.175 140 F HN 0.803 nan 8.300 nan 0.000 0.468 141 G N -0.006 108.836 108.800 0.071 0.000 2.531 141 G HA2 0.436 4.396 3.960 -0.000 0.000 0.313 141 G HA3 0.436 4.396 3.960 -0.000 0.000 0.313 141 G C 0.822 175.749 174.900 0.046 0.000 1.238 141 G CA -0.436 44.701 45.100 0.062 0.000 0.994 141 G HN 0.894 nan 8.290 nan 0.000 0.493 142 G N -1.776 107.049 108.800 0.042 0.000 2.776 142 G HA2 0.454 4.414 3.960 -0.000 0.000 0.209 142 G HA3 0.454 4.414 3.960 -0.000 0.000 0.209 142 G C 0.674 175.612 174.900 0.063 0.000 1.145 142 G CA 0.959 46.092 45.100 0.054 0.000 0.791 142 G HN 1.335 nan 8.290 nan 0.000 0.530 143 G N -1.373 107.438 108.800 0.018 0.000 2.338 143 G HA2 0.448 4.408 3.960 -0.000 0.000 0.295 143 G HA3 0.448 4.408 3.960 -0.000 0.000 0.295 143 G C -3.499 171.378 174.900 -0.039 0.000 1.461 143 G CA -0.973 44.149 45.100 0.037 0.000 0.817 143 G HN -0.092 nan 8.290 nan 0.000 0.556 144 P HA 0.368 nan 4.420 nan 0.000 0.267 144 P C 1.013 178.285 177.300 -0.047 0.000 1.205 144 P CA 1.880 64.941 63.100 -0.064 0.000 0.765 144 P CB 1.127 32.817 31.700 -0.017 0.000 0.828 145 G N 1.727 110.488 108.800 -0.065 0.000 2.179 145 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.260 145 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.260 145 G C 0.067 174.889 174.900 -0.129 0.000 0.977 145 G CA -0.290 44.764 45.100 -0.078 0.000 0.641 145 G HN 0.562 nan 8.290 nan 0.000 0.533 146 Q N -0.552 119.185 119.800 -0.105 0.000 2.230 146 Q HA 0.551 4.890 4.340 -0.000 0.000 0.248 146 Q C 0.054 176.018 176.000 -0.060 0.000 0.915 146 Q CA -0.780 54.943 55.803 -0.134 0.000 0.900 146 Q CB 1.008 29.713 28.738 -0.056 0.000 1.229 146 Q HN 0.477 nan 8.270 nan 0.000 0.439 147 Y N 1.978 122.285 120.300 0.012 0.000 2.550 147 Y HA 0.012 4.562 4.550 -0.000 0.000 0.343 147 Y C -1.540 174.372 175.900 0.019 0.000 1.245 147 Y CA -1.617 56.496 58.100 0.022 0.000 1.462 147 Y CB 0.032 38.536 38.460 0.073 0.000 1.340 147 Y HN 0.445 nan 8.280 nan 0.000 0.604 148 P HA 0.025 nan 4.420 nan 0.000 0.274 148 P C -1.049 176.410 177.300 0.264 0.000 1.246 148 P CA 0.387 63.488 63.100 0.003 0.000 0.795 148 P CB 1.134 32.534 31.700 -0.500 0.000 1.006 149 H N 0.956 120.138 119.070 0.186 0.000 3.085 149 H HA 0.169 4.725 4.556 -0.000 0.000 0.356 149 H C 0.578 176.098 175.328 0.320 0.000 1.178 149 H CA -0.518 55.712 56.048 0.303 0.000 1.214 149 H CB 1.349 31.208 29.762 0.162 0.000 1.881 149 H HN 0.194 nan 8.280 nan 0.000 0.538 150 L N 2.753 124.174 121.223 0.331 0.000 2.191 150 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 150 L C 2.445 179.552 176.870 0.396 0.000 1.103 150 L CA 1.492 56.525 54.840 0.322 0.000 0.769 150 L CB -0.390 41.762 42.059 0.156 0.000 0.908 150 L HN 0.670 nan 8.230 nan 0.000 0.438 151 A N 0.878 124.099 122.820 0.668 0.000 1.841 151 A HA -0.084 4.236 4.320 -0.000 0.000 0.214 151 A C -0.167 177.578 177.584 0.269 0.000 1.195 151 A CA 1.408 53.835 52.037 0.649 0.000 0.611 151 A CB -1.788 17.714 19.000 0.836 0.000 0.835 151 A HN 0.273 nan 8.150 nan 0.000 0.443 152 P HA -0.069 nan 4.420 nan 0.000 0.223 152 P C 1.220 178.412 177.300 -0.181 0.000 1.151 152 P CA 1.473 64.462 63.100 -0.185 0.000 0.787 152 P CB -0.312 31.393 31.700 0.009 0.000 0.788 153 T N -0.572 114.016 114.554 0.056 0.000 2.708 153 T HA -0.197 4.153 4.350 -0.000 0.000 0.266 153 T C 1.689 176.329 174.700 -0.100 0.000 1.037 153 T CA 1.307 63.473 62.100 0.110 0.000 1.146 153 T CB -1.155 67.867 68.868 0.258 0.000 0.865 153 T HN 0.081 nan 8.240 nan 0.000 0.435 154 Y N 2.219 122.392 120.300 -0.212 0.000 2.128 154 Y HA -0.136 4.414 4.550 -0.000 0.000 0.284 154 Y C 2.489 178.039 175.900 -0.583 0.000 1.154 154 Y CA 1.207 59.110 58.100 -0.329 0.000 1.149 154 Y CB -0.749 37.574 38.460 -0.229 0.000 0.976 154 Y HN 0.169 nan 8.280 nan 0.000 0.505 155 A N 0.661 122.926 122.820 -0.925 0.000 1.898 155 A HA -0.073 4.246 4.320 -0.000 0.000 0.216 155 A C 2.435 179.522 177.584 -0.829 0.000 1.181 155 A CA 1.876 53.194 52.037 -1.198 0.000 0.620 155 A CB -1.532 16.545 19.000 -1.538 0.000 0.819 155 A HN 0.663 nan 8.150 nan 0.000 0.442 156 A N -0.531 121.840 122.820 -0.747 0.000 1.902 156 A HA 0.001 4.321 4.320 -0.000 0.000 0.217 156 A C 2.231 179.384 177.584 -0.718 0.000 1.181 156 A CA 1.798 53.351 52.037 -0.807 0.000 0.623 156 A CB -0.944 17.243 19.000 -1.355 0.000 0.818 156 A HN 0.384 nan 8.150 nan 0.000 0.443 157 V N 0.838 120.363 119.914 -0.648 0.000 2.295 157 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 157 V C 2.341 178.190 176.094 -0.408 0.000 1.049 157 V CA 2.200 64.239 62.300 -0.436 0.000 1.024 157 V CB -1.062 30.573 31.823 -0.314 0.000 0.648 157 V HN 0.536 nan 8.190 nan 0.000 0.447 158 N N 0.520 118.864 118.700 -0.593 0.000 2.104 158 N HA -0.143 4.597 4.740 -0.000 0.000 0.190 158 N C 1.846 177.195 175.510 -0.269 0.000 1.024 158 N CA 1.744 54.477 53.050 -0.529 0.000 0.853 158 N CB -0.571 37.319 38.487 -0.995 0.000 1.008 158 N HN 0.495 nan 8.380 nan 0.000 0.424 159 A N 0.647 123.305 122.820 -0.270 0.000 1.902 159 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 159 A C 2.325 179.830 177.584 -0.133 0.000 1.181 159 A CA 0.955 52.917 52.037 -0.126 0.000 0.623 159 A CB -0.734 18.171 19.000 -0.158 0.000 0.818 159 A HN 0.247 nan 8.150 nan 0.000 0.443 160 L N -0.942 120.172 121.223 -0.181 0.000 2.141 160 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 160 L C 2.562 179.381 176.870 -0.085 0.000 1.094 160 L CA 0.990 55.751 54.840 -0.132 0.000 0.763 160 L CB -0.547 41.446 42.059 -0.110 0.000 0.908 160 L HN 0.476 nan 8.230 nan 0.000 0.437 161 C N -0.382 118.897 119.300 -0.035 0.000 2.450 161 C HA -0.050 4.410 4.460 -0.000 0.000 0.279 161 C C 2.695 177.686 174.990 0.002 0.000 1.335 161 C CA 0.155 59.210 59.018 0.062 0.000 1.749 161 C CB -0.521 27.230 27.740 0.019 0.000 1.963 161 C HN 0.429 nan 8.230 nan 0.000 0.501 162 I N 0.709 121.264 120.570 -0.025 0.000 2.226 162 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 162 I C 2.266 178.357 176.117 -0.043 0.000 1.100 162 I CA 1.675 62.975 61.300 0.000 0.000 1.374 162 I CB -0.278 37.746 38.000 0.040 0.000 1.057 162 I HN 0.300 nan 8.210 nan 0.000 0.413 163 I N 0.347 120.863 120.570 -0.090 0.000 2.163 163 I HA -0.184 3.986 4.170 -0.000 0.000 0.240 163 I C 1.855 177.851 176.117 -0.202 0.000 1.081 163 I CA 1.449 62.670 61.300 -0.131 0.000 1.353 163 I CB -0.697 37.214 38.000 -0.148 0.000 1.054 163 I HN 0.450 nan 8.210 nan 0.000 0.407 164 G N 1.332 109.932 108.800 -0.333 0.000 2.153 164 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.252 164 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.252 164 G C 0.421 174.878 174.900 -0.740 0.000 0.994 164 G CA 0.488 45.281 45.100 -0.512 0.000 0.698 164 G HN 0.519 nan 8.290 nan 0.000 0.521 165 T N -3.016 111.137 114.554 -0.670 0.000 2.881 165 T HA 0.648 4.998 4.350 -0.000 0.000 0.278 165 T C 1.141 175.460 174.700 -0.635 0.000 0.982 165 T CA 0.451 62.254 62.100 -0.494 0.000 0.989 165 T CB 2.015 70.717 68.868 -0.275 0.000 1.058 165 T HN 0.153 nan 8.240 nan 0.000 0.529 166 E N 0.306 120.319 120.200 -0.313 0.000 2.070 166 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 166 E C 1.998 178.511 176.600 -0.145 0.000 1.004 166 E CA 1.982 58.280 56.400 -0.170 0.000 0.805 166 E CB -0.302 29.369 29.700 -0.048 0.000 0.744 166 E HN 0.856 nan 8.360 nan 0.000 0.451 167 E N -0.550 119.567 120.200 -0.138 0.000 2.058 167 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 167 E C 1.943 178.484 176.600 -0.098 0.000 0.997 167 E CA 1.247 57.594 56.400 -0.088 0.000 0.801 167 E CB -0.273 29.379 29.700 -0.080 0.000 0.746 167 E HN 0.358 nan 8.360 nan 0.000 0.450 168 A N 0.340 123.039 122.820 -0.202 0.000 1.858 168 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 168 A C 2.009 179.562 177.584 -0.052 0.000 1.190 168 A CA 1.519 53.450 52.037 -0.177 0.000 0.617 168 A CB -1.153 17.669 19.000 -0.296 0.000 0.827 168 A HN 0.491 nan 8.150 nan 0.000 0.443 169 Y N 0.246 120.497 120.300 -0.083 0.000 2.165 169 Y HA -0.249 4.301 4.550 -0.000 0.000 0.286 169 Y C 2.376 178.355 175.900 0.133 0.000 1.155 169 Y CA 0.954 59.045 58.100 -0.015 0.000 1.164 169 Y CB -0.274 37.834 38.460 -0.587 0.000 0.978 169 Y HN 0.307 nan 8.280 nan 0.000 0.513 170 N N -0.145 118.670 118.700 0.192 0.000 2.453 170 N HA -0.117 4.623 4.740 -0.000 0.000 0.183 170 N C 1.728 177.327 175.510 0.148 0.000 1.041 170 N CA 0.646 53.799 53.050 0.172 0.000 0.900 170 N CB -0.383 38.163 38.487 0.098 0.000 0.961 170 N HN 0.166 nan 8.380 nan 0.000 0.443 171 V N 1.309 121.305 119.914 0.136 0.000 2.343 171 V HA -0.130 3.990 4.120 -0.000 0.000 0.247 171 V C 1.098 177.293 176.094 0.169 0.000 1.051 171 V CA 0.833 63.211 62.300 0.130 0.000 1.036 171 V CB -0.278 31.621 31.823 0.127 0.000 0.654 171 V HN 0.206 nan 8.190 nan 0.000 0.451 172 I N 2.113 122.821 120.570 0.229 0.000 2.505 172 I HA 0.023 4.193 4.170 -0.000 0.000 0.287 172 I C 0.597 176.779 176.117 0.108 0.000 1.104 172 I CA 0.187 61.614 61.300 0.212 0.000 1.387 172 I CB -0.112 38.006 38.000 0.196 0.000 1.404 172 I HN 0.154 nan 8.210 nan 0.000 0.528 173 N N 7.087 125.791 118.700 0.006 0.000 2.448 173 N HA 0.091 4.831 4.740 -0.000 0.000 0.250 173 N C 0.997 176.504 175.510 -0.006 0.000 1.136 173 N CA 0.193 53.237 53.050 -0.009 0.000 0.953 173 N CB 0.474 38.920 38.487 -0.068 0.000 1.251 173 N HN 0.465 nan 8.380 nan 0.000 0.502 174 R N 2.112 122.631 120.500 0.032 0.000 2.075 174 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 174 R C 0.982 177.298 176.300 0.026 0.000 1.126 174 R CA 1.319 57.429 56.100 0.018 0.000 0.963 174 R CB 0.199 30.524 30.300 0.041 0.000 0.858 174 R HN 0.475 nan 8.270 nan 0.000 0.435 175 E N 0.644 120.868 120.200 0.041 0.000 2.051 175 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 175 E C 1.828 178.456 176.600 0.047 0.000 0.991 175 E CA 1.160 57.592 56.400 0.053 0.000 0.799 175 E CB 0.048 29.779 29.700 0.052 0.000 0.748 175 E HN 0.045 nan 8.360 nan 0.000 0.449 176 K N 0.225 120.636 120.400 0.020 0.000 2.097 176 K HA -0.058 4.262 4.320 -0.000 0.000 0.205 176 K C 2.106 178.730 176.600 0.039 0.000 1.050 176 K CA 0.426 56.721 56.287 0.014 0.000 0.938 176 K CB -0.541 31.935 32.500 -0.040 0.000 0.718 176 K HN 0.122 nan 8.250 nan 0.000 0.442 177 L N 1.478 122.709 121.223 0.013 0.000 2.012 177 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 177 L C 2.185 179.108 176.870 0.089 0.000 1.073 177 L CA 1.429 56.297 54.840 0.047 0.000 0.748 177 L CB -0.844 41.221 42.059 0.011 0.000 0.891 177 L HN 0.091 nan 8.230 nan 0.000 0.431 178 L N -0.587 120.671 121.223 0.058 0.000 2.046 178 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 178 L C 2.499 179.456 176.870 0.146 0.000 1.077 178 L CA 1.792 56.664 54.840 0.054 0.000 0.747 178 L CB -0.762 41.343 42.059 0.078 0.000 0.896 178 L HN 0.449 nan 8.230 nan 0.000 0.432 179 Q N -1.855 118.045 119.800 0.167 0.000 2.096 179 Q HA -0.280 4.060 4.340 -0.000 0.000 0.204 179 Q C 2.177 178.286 176.000 0.181 0.000 0.982 179 Q CA 2.153 58.067 55.803 0.185 0.000 0.850 179 Q CB -0.502 28.303 28.738 0.113 0.000 0.901 179 Q HN 0.618 nan 8.270 nan 0.000 0.422 180 Y N 1.338 121.659 120.300 0.036 0.000 2.128 180 Y HA -0.243 4.307 4.550 -0.000 0.000 0.284 180 Y C 1.806 177.729 175.900 0.038 0.000 1.154 180 Y CA 1.427 59.539 58.100 0.020 0.000 1.149 180 Y CB -0.317 38.139 38.460 -0.007 0.000 0.976 180 Y HN 0.025 nan 8.280 nan 0.000 0.505 181 L N -1.440 119.754 121.223 -0.048 0.000 2.042 181 L HA -0.305 4.035 4.340 -0.000 0.000 0.210 181 L C 2.291 179.116 176.870 -0.075 0.000 1.076 181 L CA 1.852 56.613 54.840 -0.132 0.000 0.749 181 L CB -1.015 40.943 42.059 -0.168 0.000 0.893 181 L HN 0.255 nan 8.230 nan 0.000 0.432 182 Y N 0.378 120.643 120.300 -0.058 0.000 2.224 182 Y HA -0.279 4.271 4.550 -0.000 0.000 0.289 182 Y C 3.060 178.876 175.900 -0.140 0.000 1.146 182 Y CA 1.441 59.483 58.100 -0.096 0.000 1.182 182 Y CB -0.176 38.235 38.460 -0.082 0.000 0.983 182 Y HN 0.321 nan 8.280 nan 0.000 0.524 183 S N -0.400 115.306 115.700 0.010 0.000 2.474 183 S HA -0.107 4.363 4.470 -0.000 0.000 0.235 183 S C 1.471 175.981 174.600 -0.150 0.000 0.997 183 S CA 0.963 59.121 58.200 -0.069 0.000 0.949 183 S CB -0.597 62.567 63.200 -0.061 0.000 0.766 183 S HN 0.500 nan 8.310 nan 0.000 0.517 184 L N -0.330 120.779 121.223 -0.189 0.000 2.556 184 L HA 0.356 4.695 4.340 -0.000 0.000 0.226 184 L C 0.869 177.600 176.870 -0.231 0.000 1.089 184 L CA -0.228 54.501 54.840 -0.185 0.000 0.864 184 L CB -0.157 41.800 42.059 -0.170 0.000 1.067 184 L HN 0.098 nan 8.230 nan 0.000 0.477 185 K N 1.814 122.002 120.400 -0.353 0.000 2.416 185 K HA 0.054 4.374 4.320 -0.000 0.000 0.283 185 K C -0.178 176.128 176.600 -0.490 0.000 1.037 185 K CA 0.369 56.190 56.287 -0.778 0.000 0.995 185 K CB 0.430 32.518 32.500 -0.686 0.000 0.938 185 K HN -0.085 nan 8.250 nan 0.000 0.475 186 Q N 4.809 124.287 119.800 -0.537 0.000 2.214 186 Q HA 0.250 4.590 4.340 -0.000 0.000 0.251 186 Q C -1.768 174.068 176.000 -0.274 0.000 0.936 186 Q CA -2.281 53.319 55.803 -0.337 0.000 0.894 186 Q CB 0.833 29.377 28.738 -0.324 0.000 1.252 186 Q HN 0.448 nan 8.270 nan 0.000 0.448 187 P HA -0.176 nan 4.420 nan 0.000 0.217 187 P C 0.366 177.611 177.300 -0.093 0.000 1.148 187 P CA 1.439 64.469 63.100 -0.117 0.000 0.828 187 P CB 0.216 31.868 31.700 -0.079 0.000 0.783 188 D N -2.045 118.298 120.400 -0.094 0.000 2.324 188 D HA 0.090 4.730 4.640 -0.000 0.000 0.235 188 D C 1.392 177.689 176.300 -0.006 0.000 1.095 188 D CA 0.528 54.522 54.000 -0.009 0.000 0.871 188 D CB -0.931 39.914 40.800 0.074 0.000 0.906 188 D HN 0.246 nan 8.370 nan 0.000 0.522 189 G N -0.152 108.572 108.800 -0.127 0.000 2.217 189 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.246 189 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.246 189 G C 0.510 175.243 174.900 -0.279 0.000 0.990 189 G CA 0.424 45.458 45.100 -0.109 0.000 0.627 189 G HN 0.817 nan 8.290 nan 0.000 0.522 190 S N -0.443 114.901 115.700 -0.592 0.000 2.686 190 S HA 0.835 5.305 4.470 -0.000 0.000 0.270 190 S C -0.359 173.862 174.600 -0.632 0.000 1.194 190 S CA -0.516 57.167 58.200 -0.861 0.000 0.990 190 S CB 1.514 63.737 63.200 -1.630 0.000 1.029 190 S HN 0.556 nan 8.310 nan 0.000 0.560 191 F N -0.374 119.303 119.950 -0.455 0.000 2.565 191 F HA 0.500 5.027 4.527 -0.000 0.000 0.313 191 F C -0.072 175.566 175.800 -0.271 0.000 1.091 191 F CA -1.037 56.788 58.000 -0.291 0.000 0.915 191 F CB 1.459 40.340 39.000 -0.197 0.000 1.208 191 F HN 0.451 nan 8.300 nan 0.000 0.453 192 L N 3.687 124.863 121.223 -0.078 0.000 2.467 192 L HA 0.089 4.429 4.340 -0.000 0.000 0.270 192 L C 1.395 178.219 176.870 -0.077 0.000 1.205 192 L CA -0.471 54.299 54.840 -0.117 0.000 0.828 192 L CB 0.433 42.385 42.059 -0.180 0.000 1.101 192 L HN 0.688 nan 8.230 nan 0.000 0.479 193 M N 0.845 120.395 119.600 -0.083 0.000 2.229 193 M HA -0.028 4.452 4.480 -0.000 0.000 0.264 193 M C 0.461 176.661 176.300 -0.166 0.000 1.063 193 M CA 1.307 56.551 55.300 -0.093 0.000 1.114 193 M CB -1.051 31.539 32.600 -0.017 0.000 1.387 193 M HN 0.813 nan 8.290 nan 0.000 0.420 194 H N -5.062 113.883 119.070 -0.208 0.000 2.917 194 H HA 0.476 5.032 4.556 -0.000 0.000 0.299 194 H C -0.994 174.311 175.328 -0.038 0.000 1.418 194 H CA -1.228 54.769 56.048 -0.085 0.000 1.138 194 H CB 0.580 30.314 29.762 -0.046 0.000 1.830 194 H HN -0.249 nan 8.280 nan 0.000 0.514 195 V N 1.533 121.446 119.914 -0.002 0.000 2.599 195 V HA 0.291 4.411 4.120 -0.000 0.000 0.300 195 V C 1.560 177.553 176.094 -0.169 0.000 1.034 195 V CA 1.605 63.852 62.300 -0.089 0.000 1.115 195 V CB 0.291 32.106 31.823 -0.014 0.000 0.934 195 V HN 1.373 nan 8.190 nan 0.000 0.485 196 G N 3.570 112.255 108.800 -0.193 0.000 2.155 196 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.257 196 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.257 196 G C 0.500 175.230 174.900 -0.284 0.000 0.983 196 G CA 0.250 45.253 45.100 -0.161 0.000 0.676 196 G HN 1.319 nan 8.290 nan 0.000 0.528 197 G N -0.657 107.786 108.800 -0.595 0.000 2.671 197 G HA2 0.682 4.642 3.960 -0.000 0.000 0.275 197 G HA3 0.682 4.642 3.960 -0.000 0.000 0.275 197 G C 0.095 174.853 174.900 -0.238 0.000 1.368 197 G CA 0.238 44.930 45.100 -0.680 0.000 1.044 197 G HN 0.662 nan 8.290 nan 0.000 0.543 198 E N -0.799 119.350 120.200 -0.085 0.000 2.250 198 E HA 0.441 4.791 4.350 -0.000 0.000 0.269 198 E C -1.046 175.539 176.600 -0.024 0.000 1.018 198 E CA -0.633 55.759 56.400 -0.014 0.000 0.873 198 E CB 1.668 31.407 29.700 0.064 0.000 1.134 198 E HN 0.096 nan 8.360 nan 0.000 0.403 199 V N 2.234 122.136 119.914 -0.021 0.000 2.427 199 V HA 0.364 4.484 4.120 -0.000 0.000 0.286 199 V C -0.477 175.641 176.094 0.041 0.000 1.034 199 V CA -0.152 62.119 62.300 -0.049 0.000 0.893 199 V CB 0.924 32.672 31.823 -0.125 0.000 0.982 199 V HN 0.915 nan 8.190 nan 0.000 0.452 200 D N 2.599 123.037 120.400 0.063 0.000 2.665 200 D HA 0.168 4.808 4.640 -0.000 0.000 0.287 200 D C 0.254 176.710 176.300 0.260 0.000 1.266 200 D CA -0.578 53.538 54.000 0.195 0.000 0.830 200 D CB 1.687 42.537 40.800 0.083 0.000 1.356 200 D HN 0.113 nan 8.370 nan 0.000 0.437 201 V N 0.432 120.565 119.914 0.364 0.000 2.720 201 V HA -0.142 3.978 4.120 -0.000 0.000 0.256 201 V C 1.998 178.285 176.094 0.322 0.000 1.082 201 V CA 1.670 64.226 62.300 0.427 0.000 1.101 201 V CB -0.687 31.319 31.823 0.305 0.000 0.693 201 V HN 0.559 nan 8.190 nan 0.000 0.479 202 R N 0.747 121.448 120.500 0.336 0.000 2.105 202 R HA -0.154 4.186 4.340 -0.000 0.000 0.239 202 R C 2.573 179.008 176.300 0.226 0.000 1.135 202 R CA 1.784 58.064 56.100 0.299 0.000 0.967 202 R CB -0.580 29.894 30.300 0.291 0.000 0.861 202 R HN 0.773 nan 8.270 nan 0.000 0.442 203 S N 0.496 116.293 115.700 0.162 0.000 2.383 203 S HA -0.065 4.405 4.470 -0.000 0.000 0.227 203 S C 2.221 176.800 174.600 -0.036 0.000 1.026 203 S CA 0.866 59.105 58.200 0.066 0.000 0.981 203 S CB -0.118 63.114 63.200 0.054 0.000 0.818 203 S HN 0.363 nan 8.310 nan 0.000 0.472 204 A N 0.901 123.750 122.820 0.049 0.000 1.902 204 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 204 A C 2.081 179.658 177.584 -0.012 0.000 1.181 204 A CA 1.513 53.562 52.037 0.019 0.000 0.623 204 A CB -1.282 17.833 19.000 0.193 0.000 0.818 204 A HN 0.660 nan 8.150 nan 0.000 0.443 205 Y N 0.314 120.594 120.300 -0.034 0.000 2.145 205 Y HA -0.271 4.278 4.550 -0.000 0.000 0.286 205 Y C 2.582 178.451 175.900 -0.052 0.000 1.145 205 Y CA 1.429 59.496 58.100 -0.054 0.000 1.148 205 Y CB -0.938 37.518 38.460 -0.006 0.000 0.981 205 Y HN 0.380 nan 8.280 nan 0.000 0.507 206 C N 0.441 119.618 119.300 -0.205 0.000 2.413 206 C HA -0.147 4.313 4.460 -0.000 0.000 0.276 206 C C 3.087 177.986 174.990 -0.152 0.000 1.236 206 C CA 1.306 60.192 59.018 -0.221 0.000 1.735 206 C CB -1.799 25.940 27.740 -0.001 0.000 2.031 206 C HN 0.739 nan 8.230 nan 0.000 0.474 207 A N 0.539 123.241 122.820 -0.196 0.000 1.877 207 A HA 0.036 4.356 4.320 -0.000 0.000 0.216 207 A C 2.376 179.946 177.584 -0.023 0.000 1.186 207 A CA 2.228 54.142 52.037 -0.205 0.000 0.620 207 A CB -1.013 17.596 19.000 -0.651 0.000 0.822 207 A HN 0.590 nan 8.150 nan 0.000 0.443 208 A N -0.874 121.852 122.820 -0.157 0.000 1.902 208 A HA -0.103 4.216 4.320 -0.000 0.000 0.217 208 A C 2.488 179.993 177.584 -0.131 0.000 1.181 208 A CA 2.233 54.079 52.037 -0.317 0.000 0.623 208 A CB -0.986 17.701 19.000 -0.521 0.000 0.818 208 A HN 0.581 nan 8.150 nan 0.000 0.443 209 S N -0.335 115.262 115.700 -0.171 0.000 2.343 209 S HA -0.167 4.302 4.470 -0.000 0.000 0.219 209 S C 2.094 176.738 174.600 0.073 0.000 1.033 209 S CA 2.385 60.588 58.200 0.006 0.000 1.014 209 S CB -0.851 62.270 63.200 -0.130 0.000 0.915 209 S HN 1.017 nan 8.310 nan 0.000 0.435 210 V N 0.455 120.368 119.914 -0.002 0.000 2.427 210 V HA 0.142 4.262 4.120 -0.000 0.000 0.248 210 V C 2.507 178.567 176.094 -0.056 0.000 1.051 210 V CA 1.640 63.910 62.300 -0.050 0.000 1.048 210 V CB -1.636 30.168 31.823 -0.031 0.000 0.666 210 V HN 0.520 nan 8.190 nan 0.000 0.456 211 A N 1.645 124.473 122.820 0.013 0.000 1.930 211 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 211 A C 2.562 180.165 177.584 0.031 0.000 1.175 211 A CA 2.307 54.369 52.037 0.042 0.000 0.627 211 A CB -0.886 18.231 19.000 0.195 0.000 0.815 211 A HN 0.887 nan 8.150 nan 0.000 0.443 212 S N 0.107 115.838 115.700 0.052 0.000 2.371 212 S HA -0.034 4.436 4.470 -0.000 0.000 0.224 212 S C 1.895 176.483 174.600 -0.020 0.000 1.029 212 S CA 1.202 59.436 58.200 0.056 0.000 0.978 212 S CB -0.794 62.479 63.200 0.122 0.000 0.833 212 S HN 0.409 nan 8.310 nan 0.000 0.466 213 L N 1.996 123.164 121.223 -0.092 0.000 2.079 213 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 213 L C 2.814 179.514 176.870 -0.284 0.000 1.081 213 L CA 1.689 56.392 54.840 -0.228 0.000 0.752 213 L CB -1.025 40.843 42.059 -0.317 0.000 0.896 213 L HN 0.637 nan 8.230 nan 0.000 0.433 214 T N -4.556 109.750 114.554 -0.414 0.000 3.122 214 T HA 0.088 4.438 4.350 -0.000 0.000 0.250 214 T C 0.767 175.276 174.700 -0.318 0.000 1.067 214 T CA -0.009 61.604 62.100 -0.811 0.000 0.966 214 T CB -0.280 68.115 68.868 -0.788 0.000 1.002 214 T HN 0.317 nan 8.240 nan 0.000 0.542 215 N N 1.425 120.056 118.700 -0.114 0.000 2.696 215 N HA -0.173 4.566 4.740 -0.000 0.000 0.256 215 N C 0.246 175.745 175.510 -0.018 0.000 1.031 215 N CA 0.929 53.969 53.050 -0.017 0.000 0.730 215 N CB -1.843 36.667 38.487 0.039 0.000 0.894 215 N HN 0.923 nan 8.380 nan 0.000 0.544 216 I N -2.660 117.898 120.570 -0.021 0.000 4.050 216 I HA 0.369 4.539 4.170 -0.000 0.000 0.327 216 I C 0.050 176.173 176.117 0.010 0.000 1.473 216 I CA -0.632 60.664 61.300 -0.006 0.000 1.124 216 I CB 0.143 38.126 38.000 -0.028 0.000 1.129 216 I HN 0.026 nan 8.210 nan 0.000 0.428 217 I N 4.072 124.672 120.570 0.051 0.000 2.494 217 I HA 0.073 4.243 4.170 -0.000 0.000 0.289 217 I C 1.012 177.170 176.117 0.068 0.000 1.106 217 I CA 0.240 61.596 61.300 0.093 0.000 1.369 217 I CB 0.611 38.730 38.000 0.198 0.000 1.410 217 I HN 0.369 nan 8.210 nan 0.000 0.523 218 T N 3.408 117.983 114.554 0.035 0.000 2.881 218 T HA 0.315 4.664 4.350 -0.000 0.000 0.278 218 T C -1.598 173.152 174.700 0.083 0.000 0.982 218 T CA -1.721 60.425 62.100 0.076 0.000 0.989 218 T CB 1.288 70.235 68.868 0.131 0.000 1.058 218 T HN 0.267 nan 8.240 nan 0.000 0.529 219 P HA -0.100 nan 4.420 nan 0.000 0.216 219 P C 0.974 178.328 177.300 0.090 0.000 1.150 219 P CA 1.318 64.469 63.100 0.086 0.000 0.843 219 P CB 0.008 31.751 31.700 0.072 0.000 0.787 220 D N -2.158 118.297 120.400 0.092 0.000 2.398 220 D HA -0.001 4.639 4.640 -0.000 0.000 0.210 220 D C 1.664 177.987 176.300 0.039 0.000 1.094 220 D CA -0.172 53.878 54.000 0.085 0.000 0.839 220 D CB -0.885 39.971 40.800 0.092 0.000 0.963 220 D HN -0.006 nan 8.370 nan 0.000 0.506 221 L N 0.168 121.347 121.223 -0.074 0.000 2.013 221 L HA -0.047 4.293 4.340 -0.000 0.000 0.212 221 L C 1.139 177.753 176.870 -0.427 0.000 1.073 221 L CA 1.768 56.342 54.840 -0.442 0.000 0.753 221 L CB -0.717 40.889 42.059 -0.755 0.000 0.890 221 L HN -0.014 nan 8.230 nan 0.000 0.432 222 F N -0.441 119.557 119.950 0.080 0.000 2.668 222 F HA 0.230 4.757 4.527 -0.000 0.000 0.297 222 F C 0.810 176.661 175.800 0.085 0.000 1.124 222 F CA -0.744 57.334 58.000 0.129 0.000 1.353 222 F CB -0.196 38.870 39.000 0.110 0.000 0.992 222 F HN -0.077 nan 8.300 nan 0.000 0.524 223 E N 0.986 121.272 120.200 0.144 0.000 2.585 223 E HA 0.052 4.402 4.350 -0.000 0.000 0.252 223 E C 1.292 177.945 176.600 0.088 0.000 0.981 223 E CA 1.112 57.572 56.400 0.100 0.000 0.943 223 E CB 0.577 30.306 29.700 0.049 0.000 0.923 223 E HN 0.624 nan 8.360 nan 0.000 0.486 224 G N 3.577 112.441 108.800 0.106 0.000 2.234 224 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.260 224 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.260 224 G C 1.250 176.254 174.900 0.173 0.000 0.987 224 G CA 0.681 45.847 45.100 0.109 0.000 0.625 224 G HN 0.531 nan 8.290 nan 0.000 0.532 225 T N 0.949 115.634 114.554 0.218 0.000 2.777 225 T HA 0.219 4.569 4.350 -0.000 0.000 0.266 225 T C 2.780 177.643 174.700 0.272 0.000 1.040 225 T CA 2.250 64.531 62.100 0.301 0.000 1.141 225 T CB -0.394 68.746 68.868 0.453 0.000 0.868 225 T HN 1.155 nan 8.240 nan 0.000 0.444 226 A N 1.654 124.584 122.820 0.183 0.000 1.902 226 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 226 A C 2.207 179.860 177.584 0.115 0.000 1.181 226 A CA 1.688 53.797 52.037 0.120 0.000 0.623 226 A CB -0.515 18.530 19.000 0.075 0.000 0.818 226 A HN 0.422 nan 8.150 nan 0.000 0.443 227 E N -1.456 118.819 120.200 0.124 0.000 2.106 227 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 227 E C 1.551 178.213 176.600 0.103 0.000 0.984 227 E CA 1.125 57.579 56.400 0.089 0.000 0.806 227 E CB -0.358 29.392 29.700 0.084 0.000 0.750 227 E HN 0.829 nan 8.360 nan 0.000 0.458 228 W N 1.026 122.337 121.300 0.019 0.000 2.355 228 W HA -0.137 4.523 4.660 -0.000 0.000 0.309 228 W C 1.714 178.234 176.519 0.002 0.000 1.206 228 W CA 1.565 58.917 57.345 0.012 0.000 1.284 228 W CB -0.187 29.290 29.460 0.028 0.000 1.145 228 W HN -0.020 nan 8.180 nan 0.000 0.502 229 I N 0.639 121.339 120.570 0.217 0.000 2.208 229 I HA -0.349 3.820 4.170 -0.000 0.000 0.245 229 I C 2.582 178.606 176.117 -0.155 0.000 1.097 229 I CA 1.543 62.861 61.300 0.031 0.000 1.363 229 I CB -1.164 36.911 38.000 0.125 0.000 1.051 229 I HN 0.095 nan 8.210 nan 0.000 0.413 230 A N 0.835 123.597 122.820 -0.097 0.000 1.933 230 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 230 A C 2.337 179.812 177.584 -0.182 0.000 1.175 230 A CA 1.308 53.275 52.037 -0.116 0.000 0.628 230 A CB -0.568 18.396 19.000 -0.060 0.000 0.814 230 A HN 0.340 nan 8.150 nan 0.000 0.444 231 R N -0.941 119.409 120.500 -0.251 0.000 2.241 231 R HA -0.123 4.217 4.340 -0.000 0.000 0.224 231 R C 1.639 177.713 176.300 -0.376 0.000 1.101 231 R CA 1.296 57.213 56.100 -0.305 0.000 0.995 231 R CB -0.649 29.427 30.300 -0.374 0.000 0.870 231 R HN 0.614 nan 8.270 nan 0.000 0.463 232 C N 0.283 119.311 119.300 -0.453 0.000 2.594 232 C HA 0.038 4.498 4.460 -0.000 0.000 0.265 232 C C 1.353 176.162 174.990 -0.302 0.000 1.351 232 C CA -0.466 58.300 59.018 -0.420 0.000 1.744 232 C CB -0.767 26.682 27.740 -0.485 0.000 1.890 232 C HN 0.445 nan 8.230 nan 0.000 0.551 233 Q N 2.795 122.440 119.800 -0.258 0.000 2.313 233 Q HA 0.156 4.496 4.340 -0.000 0.000 0.266 233 Q C 0.106 175.972 176.000 -0.224 0.000 0.989 233 Q CA 0.357 56.011 55.803 -0.248 0.000 0.890 233 Q CB 0.555 29.176 28.738 -0.194 0.000 1.200 233 Q HN 0.705 nan 8.270 nan 0.000 0.396 234 N N 3.510 122.039 118.700 -0.284 0.000 2.906 234 N HA 0.138 4.878 4.740 -0.000 0.000 0.327 234 N C 0.753 176.142 175.510 -0.202 0.000 1.344 234 N CA -0.659 52.259 53.050 -0.220 0.000 0.823 234 N CB -0.366 37.955 38.487 -0.276 0.000 1.351 234 N HN 0.877 nan 8.380 nan 0.000 0.604 235 W N -0.484 120.763 121.300 -0.088 0.000 2.387 235 W HA -0.030 4.630 4.660 -0.000 0.000 0.272 235 W C 0.347 176.845 176.519 -0.035 0.000 1.224 235 W CA 0.783 58.097 57.345 -0.052 0.000 1.210 235 W CB -0.793 28.648 29.460 -0.031 0.000 1.125 235 W HN 0.579 nan 8.180 nan 0.000 0.572 236 E N 0.249 119.944 120.200 -0.842 0.000 2.285 236 E HA 0.118 4.468 4.350 -0.000 0.000 0.194 236 E C 2.142 178.555 176.600 -0.311 0.000 0.997 236 E CA 0.932 56.907 56.400 -0.709 0.000 0.845 236 E CB -0.329 28.785 29.700 -0.976 0.000 0.782 236 E HN 0.424 nan 8.360 nan 0.000 0.491 237 G N 0.680 109.267 108.800 -0.356 0.000 2.279 237 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.223 237 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.223 237 G C 0.617 175.236 174.900 -0.470 0.000 1.015 237 G CA -0.178 44.777 45.100 -0.242 0.000 0.621 237 G HN 0.530 nan 8.290 nan 0.000 0.506 238 G N -0.357 107.780 108.800 -1.104 0.000 2.508 238 G HA2 0.626 4.586 3.960 -0.000 0.000 0.278 238 G HA3 0.626 4.586 3.960 -0.000 0.000 0.278 238 G C -0.235 174.163 174.900 -0.837 0.000 1.389 238 G CA -0.423 43.798 45.100 -1.465 0.000 1.050 238 G HN 0.730 nan 8.290 nan 0.000 0.522 239 I N 0.150 120.308 120.570 -0.686 0.000 2.465 239 I HA 0.449 4.619 4.170 -0.000 0.000 0.291 239 I C 0.739 176.703 176.117 -0.254 0.000 1.014 239 I CA -0.726 60.350 61.300 -0.374 0.000 1.093 239 I CB 2.107 39.967 38.000 -0.233 0.000 1.267 239 I HN 0.589 nan 8.210 nan 0.000 0.431 240 G N 2.719 111.369 108.800 -0.249 0.000 2.522 240 G HA2 0.424 4.384 3.960 -0.000 0.000 0.304 240 G HA3 0.424 4.384 3.960 -0.000 0.000 0.304 240 G C 0.899 175.561 174.900 -0.395 0.000 1.210 240 G CA -0.139 44.835 45.100 -0.211 0.000 0.960 240 G HN 0.784 nan 8.290 nan 0.000 0.497 241 G N -1.437 106.914 108.800 -0.749 0.000 2.408 241 G HA2 0.242 4.202 3.960 -0.000 0.000 0.217 241 G HA3 0.242 4.202 3.960 -0.000 0.000 0.217 241 G C 0.655 175.281 174.900 -0.457 0.000 1.150 241 G CA 1.818 46.149 45.100 -1.281 0.000 0.776 241 G HN 1.445 nan 8.290 nan 0.000 0.542 242 V N -4.646 115.086 119.914 -0.304 0.000 3.159 242 V HA 0.679 4.799 4.120 -0.000 0.000 0.308 242 V C -3.035 172.904 176.094 -0.258 0.000 1.190 242 V CA -3.032 59.157 62.300 -0.185 0.000 1.037 242 V CB 1.733 33.558 31.823 0.004 0.000 1.060 242 V HN -0.135 nan 8.190 nan 0.000 0.437 243 P HA 0.391 nan 4.420 nan 0.000 0.264 243 P C 0.925 178.142 177.300 -0.140 0.000 1.193 243 P CA 1.979 64.917 63.100 -0.269 0.000 0.763 243 P CB 0.715 32.251 31.700 -0.274 0.000 0.810 244 G N 1.875 110.612 108.800 -0.106 0.000 2.254 244 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.225 244 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.225 244 G C 0.192 175.086 174.900 -0.008 0.000 1.003 244 G CA -0.443 44.638 45.100 -0.032 0.000 0.622 244 G HN 0.398 nan 8.290 nan 0.000 0.507 245 M N 1.467 121.031 119.600 -0.061 0.000 2.255 245 M HA 0.398 4.878 4.480 -0.000 0.000 0.336 245 M C 0.742 177.013 176.300 -0.050 0.000 1.135 245 M CA -0.777 54.498 55.300 -0.042 0.000 1.145 245 M CB 0.868 33.419 32.600 -0.082 0.000 1.473 245 M HN 0.401 nan 8.290 nan 0.000 0.462 246 E N 1.173 121.377 120.200 0.008 0.000 2.481 246 E HA 0.209 4.559 4.350 -0.000 0.000 0.263 246 E C -0.642 175.921 176.600 -0.062 0.000 0.992 246 E CA -0.308 56.088 56.400 -0.007 0.000 0.938 246 E CB 0.712 30.463 29.700 0.086 0.000 0.933 246 E HN 0.695 nan 8.360 nan 0.000 0.453 247 A N 4.861 127.556 122.820 -0.208 0.000 2.477 247 A HA 0.116 4.436 4.320 -0.000 0.000 0.246 247 A C -0.469 177.133 177.584 0.029 0.000 1.078 247 A CA 0.049 51.890 52.037 -0.326 0.000 0.770 247 A CB 0.409 18.872 19.000 -0.895 0.000 1.011 247 A HN 0.720 nan 8.150 nan 0.000 0.494 248 H N 1.307 120.368 119.070 -0.015 0.000 2.865 248 H HA 0.357 4.913 4.556 -0.000 0.000 0.362 248 H C 1.196 176.635 175.328 0.186 0.000 1.114 248 H CA 0.153 56.298 56.048 0.162 0.000 1.208 248 H CB 1.783 31.635 29.762 0.149 0.000 1.727 248 H HN 0.705 nan 8.280 nan 0.000 0.534 249 G N 2.381 111.191 108.800 0.018 0.000 2.469 249 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.219 249 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.219 249 G C 1.494 176.519 174.900 0.209 0.000 1.150 249 G CA 0.948 46.142 45.100 0.157 0.000 0.763 249 G HN 0.665 nan 8.290 nan 0.000 0.561 250 G N -0.262 108.650 108.800 0.187 0.000 2.404 250 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.215 250 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.215 250 G C 1.624 176.412 174.900 -0.186 0.000 1.174 250 G CA 0.842 45.769 45.100 -0.289 0.000 0.780 250 G HN 0.524 nan 8.290 nan 0.000 0.537 251 Y N 0.904 121.225 120.300 0.035 0.000 2.314 251 Y HA -0.073 4.477 4.550 -0.000 0.000 0.293 251 Y C 3.329 179.216 175.900 -0.022 0.000 1.129 251 Y CA 1.185 59.281 58.100 -0.007 0.000 1.201 251 Y CB -0.109 38.338 38.460 -0.021 0.000 0.999 251 Y HN 0.125 nan 8.280 nan 0.000 0.541 252 T N 0.351 114.982 114.554 0.129 0.000 2.777 252 T HA -0.210 4.140 4.350 -0.000 0.000 0.266 252 T C 1.548 176.269 174.700 0.036 0.000 1.040 252 T CA 1.324 63.431 62.100 0.012 0.000 1.141 252 T CB -0.638 68.204 68.868 -0.043 0.000 0.868 252 T HN 0.322 nan 8.240 nan 0.000 0.444 253 F N 1.531 121.480 119.950 -0.002 0.000 2.095 253 F HA -0.186 4.340 4.527 -0.000 0.000 0.298 253 F C 2.450 178.154 175.800 -0.160 0.000 1.104 253 F CA 0.870 58.844 58.000 -0.043 0.000 1.232 253 F CB -0.719 38.349 39.000 0.113 0.000 0.987 253 F HN 0.154 nan 8.300 nan 0.000 0.475 254 C N 0.728 119.985 119.300 -0.072 0.000 2.413 254 C HA -0.128 4.332 4.460 -0.000 0.000 0.276 254 C C 3.100 177.990 174.990 -0.166 0.000 1.236 254 C CA 1.272 60.147 59.018 -0.238 0.000 1.735 254 C CB -1.956 25.827 27.740 0.072 0.000 2.031 254 C HN 0.743 nan 8.230 nan 0.000 0.474 255 G N 0.121 108.881 108.800 -0.068 0.000 2.433 255 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.216 255 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.216 255 G C 1.500 176.328 174.900 -0.120 0.000 1.186 255 G CA 1.038 46.110 45.100 -0.046 0.000 0.779 255 G HN 0.435 nan 8.290 nan 0.000 0.543 256 L N 1.411 122.518 121.223 -0.193 0.000 2.046 256 L HA 0.176 4.516 4.340 -0.000 0.000 0.208 256 L C 3.085 179.797 176.870 -0.264 0.000 1.077 256 L CA 2.151 56.870 54.840 -0.202 0.000 0.747 256 L CB -0.815 41.129 42.059 -0.192 0.000 0.896 256 L HN 0.250 nan 8.230 nan 0.000 0.432 257 A N -0.612 121.919 122.820 -0.482 0.000 1.933 257 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 257 A C 2.439 179.929 177.584 -0.157 0.000 1.175 257 A CA 1.778 53.542 52.037 -0.456 0.000 0.628 257 A CB -1.109 17.320 19.000 -0.953 0.000 0.814 257 A HN 0.561 nan 8.150 nan 0.000 0.444 258 A N -0.270 122.513 122.820 -0.063 0.000 1.902 258 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 258 A C 2.151 179.679 177.584 -0.093 0.000 1.181 258 A CA 1.436 53.465 52.037 -0.013 0.000 0.623 258 A CB -0.573 18.451 19.000 0.040 0.000 0.818 258 A HN 0.468 nan 8.150 nan 0.000 0.443 259 L N -0.537 120.639 121.223 -0.079 0.000 2.083 259 L HA -0.146 4.193 4.340 -0.000 0.000 0.209 259 L C 2.501 179.333 176.870 -0.064 0.000 1.083 259 L CA 0.860 55.662 54.840 -0.063 0.000 0.752 259 L CB -0.508 41.522 42.059 -0.049 0.000 0.899 259 L HN 0.247 nan 8.230 nan 0.000 0.433 260 V N 0.289 120.156 119.914 -0.078 0.000 2.343 260 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 260 V C 2.323 178.391 176.094 -0.044 0.000 1.051 260 V CA 1.824 64.093 62.300 -0.053 0.000 1.036 260 V CB -0.286 31.499 31.823 -0.062 0.000 0.654 260 V HN 0.318 nan 8.190 nan 0.000 0.451 261 I N -0.365 120.158 120.570 -0.080 0.000 2.208 261 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 261 I C 2.057 178.126 176.117 -0.080 0.000 1.097 261 I CA 1.639 62.892 61.300 -0.078 0.000 1.363 261 I CB -0.249 37.670 38.000 -0.136 0.000 1.051 261 I HN 0.258 nan 8.210 nan 0.000 0.413 262 L N 0.317 121.470 121.223 -0.115 0.000 2.554 262 L HA -0.001 4.339 4.340 -0.000 0.000 0.226 262 L C 0.466 177.321 176.870 -0.025 0.000 1.137 262 L CA 0.266 55.049 54.840 -0.096 0.000 0.863 262 L CB -0.387 41.600 42.059 -0.121 0.000 0.985 262 L HN 0.214 nan 8.230 nan 0.000 0.451 263 K N 0.460 120.851 120.400 -0.015 0.000 3.150 263 K HA -0.174 4.146 4.320 -0.000 0.000 0.267 263 K C 0.063 176.668 176.600 0.008 0.000 1.028 263 K CA 0.345 56.637 56.287 0.007 0.000 0.753 263 K CB -0.999 31.515 32.500 0.023 0.000 1.288 263 K HN 0.177 nan 8.250 nan 0.000 0.473 264 K N 0.099 120.498 120.400 -0.002 0.000 2.619 264 K HA 0.053 4.373 4.320 -0.000 0.000 0.201 264 K C 0.244 176.842 176.600 -0.003 0.000 1.090 264 K CA -0.015 56.274 56.287 0.004 0.000 1.063 264 K CB 0.880 33.387 32.500 0.011 0.000 0.810 264 K HN 0.193 nan 8.250 nan 0.000 0.506 265 E N 0.822 121.018 120.200 -0.008 0.000 2.219 265 E HA -0.147 4.203 4.350 -0.000 0.000 0.198 265 E C 1.439 178.035 176.600 -0.007 0.000 0.998 265 E CA 1.180 57.572 56.400 -0.013 0.000 0.818 265 E CB -0.113 29.582 29.700 -0.008 0.000 0.741 265 E HN 0.188 nan 8.360 nan 0.000 0.477 266 R N 0.310 120.810 120.500 0.001 0.000 2.285 266 R HA 0.065 4.405 4.340 -0.000 0.000 0.213 266 R C 1.828 178.127 176.300 -0.001 0.000 1.068 266 R CA 0.738 56.840 56.100 0.003 0.000 1.004 266 R CB -0.039 30.266 30.300 0.008 0.000 0.873 266 R HN 0.046 nan 8.270 nan 0.000 0.467 267 S N 0.716 116.414 115.700 -0.003 0.000 2.469 267 S HA -0.030 4.440 4.470 -0.000 0.000 0.238 267 S C 0.832 175.420 174.600 -0.020 0.000 0.998 267 S CA 0.734 58.930 58.200 -0.007 0.000 0.957 267 S CB -0.028 63.171 63.200 -0.002 0.000 0.764 267 S HN 0.190 nan 8.310 nan 0.000 0.514 268 L N 1.664 122.872 121.223 -0.025 0.000 2.352 268 L HA 0.374 4.714 4.340 -0.000 0.000 0.269 268 L C 0.444 177.299 176.870 -0.025 0.000 1.034 268 L CA -0.836 53.981 54.840 -0.038 0.000 0.806 268 L CB 0.417 42.447 42.059 -0.048 0.000 1.244 268 L HN -0.017 nan 8.230 nan 0.000 0.447 269 N N 1.903 120.585 118.700 -0.030 0.000 2.421 269 N HA 0.091 4.830 4.740 -0.000 0.000 0.260 269 N C 0.661 176.167 175.510 -0.007 0.000 1.173 269 N CA 0.228 53.270 53.050 -0.014 0.000 0.960 269 N CB 0.523 39.001 38.487 -0.015 0.000 1.273 269 N HN 0.568 nan 8.380 nan 0.000 0.497 270 L N 2.583 123.809 121.223 0.005 0.000 2.141 270 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 270 L C 2.327 179.220 176.870 0.038 0.000 1.094 270 L CA 0.921 55.772 54.840 0.018 0.000 0.763 270 L CB -0.153 41.919 42.059 0.022 0.000 0.908 270 L HN 0.533 nan 8.230 nan 0.000 0.437 271 K N 0.417 120.839 120.400 0.036 0.000 2.062 271 K HA -0.158 4.162 4.320 -0.000 0.000 0.205 271 K C 2.324 178.961 176.600 0.061 0.000 1.051 271 K CA 1.640 57.957 56.287 0.050 0.000 0.941 271 K CB 0.013 32.538 32.500 0.042 0.000 0.719 271 K HN 0.304 nan 8.250 nan 0.000 0.440 272 S N 0.961 116.690 115.700 0.048 0.000 2.428 272 S HA -0.126 4.344 4.470 -0.000 0.000 0.230 272 S C 1.962 176.614 174.600 0.086 0.000 1.014 272 S CA 0.754 58.989 58.200 0.059 0.000 0.957 272 S CB -0.352 62.866 63.200 0.030 0.000 0.784 272 S HN 0.334 nan 8.310 nan 0.000 0.499 273 L N 1.395 122.653 121.223 0.059 0.000 2.027 273 L HA 0.191 4.531 4.340 -0.000 0.000 0.206 273 L C 2.211 179.193 176.870 0.187 0.000 1.074 273 L CA 1.550 56.444 54.840 0.091 0.000 0.745 273 L CB -1.260 40.812 42.059 0.021 0.000 0.898 273 L HN 0.403 nan 8.230 nan 0.000 0.433 274 L N -0.184 121.120 121.223 0.135 0.000 2.042 274 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 274 L C 2.601 179.563 176.870 0.154 0.000 1.076 274 L CA 2.296 57.222 54.840 0.144 0.000 0.749 274 L CB -0.840 41.290 42.059 0.118 0.000 0.893 274 L HN 0.580 nan 8.230 nan 0.000 0.432 275 Q N -1.727 118.159 119.800 0.143 0.000 2.084 275 Q HA -0.278 4.062 4.340 -0.000 0.000 0.202 275 Q C 2.071 178.158 176.000 0.146 0.000 0.978 275 Q CA 2.286 58.165 55.803 0.128 0.000 0.844 275 Q CB -0.517 28.288 28.738 0.112 0.000 0.898 275 Q HN 0.680 nan 8.270 nan 0.000 0.426 276 W N -0.430 120.869 121.300 -0.001 0.000 2.378 276 W HA -0.192 4.468 4.660 -0.000 0.000 0.313 276 W C 1.996 178.514 176.519 -0.002 0.000 1.197 276 W CA 1.575 58.904 57.345 -0.028 0.000 1.304 276 W CB -0.634 28.782 29.460 -0.075 0.000 1.148 276 W HN 0.060 nan 8.180 nan 0.000 0.494 277 V N 1.347 121.344 119.914 0.138 0.000 2.343 277 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 277 V C 2.479 178.546 176.094 -0.044 0.000 1.051 277 V CA 3.255 65.493 62.300 -0.104 0.000 1.036 277 V CB -1.158 30.743 31.823 0.130 0.000 0.654 277 V HN 0.476 nan 8.190 nan 0.000 0.451 278 T N -3.052 111.537 114.554 0.057 0.000 2.833 278 T HA -0.156 4.194 4.350 -0.000 0.000 0.269 278 T C 1.901 176.586 174.700 -0.026 0.000 1.054 278 T CA 1.772 63.931 62.100 0.098 0.000 1.135 278 T CB -0.607 68.336 68.868 0.125 0.000 0.869 278 T HN 0.441 nan 8.240 nan 0.000 0.466 279 S N 0.933 116.568 115.700 -0.108 0.000 2.507 279 S HA 0.069 4.539 4.470 -0.000 0.000 0.235 279 S C 1.983 176.422 174.600 -0.268 0.000 0.988 279 S CA 0.215 58.315 58.200 -0.167 0.000 0.944 279 S CB -0.206 62.898 63.200 -0.160 0.000 0.762 279 S HN 0.428 nan 8.310 nan 0.000 0.526 280 R N 1.107 121.403 120.500 -0.339 0.000 2.275 280 R HA 0.166 4.506 4.340 -0.000 0.000 0.199 280 R C 0.863 176.962 176.300 -0.335 0.000 0.989 280 R CA 0.050 55.944 56.100 -0.344 0.000 1.016 280 R CB -0.326 29.705 30.300 -0.448 0.000 0.918 280 R HN 0.503 nan 8.270 nan 0.000 0.473 281 Q N 1.146 120.588 119.800 -0.597 0.000 2.313 281 Q HA 0.105 4.445 4.340 -0.000 0.000 0.266 281 Q C -0.484 175.242 176.000 -0.457 0.000 0.989 281 Q CA -0.028 55.163 55.803 -1.020 0.000 0.890 281 Q CB 0.689 28.780 28.738 -1.078 0.000 1.200 281 Q HN -0.124 nan 8.270 nan 0.000 0.396 282 M N 4.506 123.886 119.600 -0.368 0.000 2.146 282 M HA 0.123 4.603 4.480 -0.000 0.000 0.352 282 M C 1.064 177.316 176.300 -0.079 0.000 1.343 282 M CA 0.290 55.489 55.300 -0.168 0.000 1.115 282 M CB 0.679 33.207 32.600 -0.121 0.000 1.657 282 M HN 0.703 nan 8.290 nan 0.000 0.471 283 R N 1.394 121.881 120.500 -0.022 0.000 2.120 283 R HA -0.155 4.185 4.340 -0.000 0.000 0.234 283 R C 1.463 177.815 176.300 0.087 0.000 1.123 283 R CA 1.569 57.687 56.100 0.029 0.000 0.975 283 R CB -0.450 29.862 30.300 0.020 0.000 0.866 283 R HN 0.544 nan 8.270 nan 0.000 0.446 284 F N 1.918 121.852 119.950 -0.025 0.000 2.123 284 F HA 0.106 4.633 4.527 -0.000 0.000 0.289 284 F C 1.798 177.792 175.800 0.323 0.000 1.099 284 F CA 1.243 59.256 58.000 0.022 0.000 1.234 284 F CB 0.075 39.072 39.000 -0.005 0.000 1.034 284 F HN -0.106 nan 8.300 nan 0.000 0.479 285 E N 0.068 120.393 120.200 0.209 0.000 2.150 285 E HA 0.059 4.409 4.350 -0.000 0.000 0.193 285 E C 1.863 178.528 176.600 0.109 0.000 0.985 285 E CA 1.328 57.813 56.400 0.141 0.000 0.814 285 E CB -0.589 29.087 29.700 -0.040 0.000 0.752 285 E HN 0.619 nan 8.360 nan 0.000 0.466 286 G N -0.316 108.482 108.800 -0.003 0.000 2.268 286 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.240 286 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.240 286 G C 0.663 175.496 174.900 -0.111 0.000 1.010 286 G CA 0.036 45.131 45.100 -0.009 0.000 0.618 286 G HN 0.634 nan 8.290 nan 0.000 0.516 287 G N -0.662 107.916 108.800 -0.370 0.000 2.525 287 G HA2 0.604 4.564 3.960 -0.000 0.000 0.287 287 G HA3 0.604 4.564 3.960 -0.000 0.000 0.287 287 G C -0.562 174.176 174.900 -0.270 0.000 1.350 287 G CA -0.727 44.172 45.100 -0.335 0.000 1.039 287 G HN 0.305 nan 8.290 nan 0.000 0.513 288 F N -0.336 119.554 119.950 -0.100 0.000 2.492 288 F HA 0.382 4.909 4.527 -0.000 0.000 0.327 288 F C 0.757 176.545 175.800 -0.021 0.000 1.079 288 F CA -0.674 57.279 58.000 -0.079 0.000 0.967 288 F CB 2.144 41.104 39.000 -0.066 0.000 1.169 288 F HN 0.526 nan 8.300 nan 0.000 0.472 289 Q N 0.908 120.723 119.800 0.025 0.000 2.212 289 Q HA 0.548 4.888 4.340 -0.000 0.000 0.238 289 Q C 0.515 176.224 176.000 -0.485 0.000 0.955 289 Q CA -0.443 55.310 55.803 -0.082 0.000 0.906 289 Q CB 1.538 30.208 28.738 -0.114 0.000 1.215 289 Q HN 0.835 nan 8.270 nan 0.000 0.478 290 G N 0.924 109.222 108.800 -0.837 0.000 2.539 290 G HA2 0.049 4.008 3.960 -0.000 0.000 0.215 290 G HA3 0.049 4.008 3.960 -0.000 0.000 0.215 290 G C 0.187 174.583 174.900 -0.838 0.000 1.141 290 G CA 0.018 44.227 45.100 -1.484 0.000 0.806 290 G HN 0.677 nan 8.290 nan 0.000 0.533 291 R N -2.063 118.194 120.500 -0.405 0.000 2.752 291 R HA 0.460 4.800 4.340 -0.000 0.000 0.271 291 R C -1.218 175.028 176.300 -0.090 0.000 1.026 291 R CA -0.922 55.103 56.100 -0.125 0.000 0.901 291 R CB 0.215 30.530 30.300 0.025 0.000 1.243 291 R HN -0.031 nan 8.270 nan 0.000 0.463 292 C N 2.122 121.415 119.300 -0.012 0.000 2.596 292 C HA 0.081 4.541 4.460 -0.000 0.000 0.414 292 C C 0.691 175.689 174.990 0.013 0.000 1.396 292 C CA 0.944 59.950 59.018 -0.020 0.000 1.698 292 C CB -1.308 26.457 27.740 0.041 0.000 2.572 292 C HN 0.976 nan 8.230 nan 0.000 0.604 293 N N 2.323 121.021 118.700 -0.003 0.000 2.800 293 N HA -0.135 4.605 4.740 -0.000 0.000 0.250 293 N C -0.325 175.199 175.510 0.023 0.000 1.078 293 N CA 1.364 54.423 53.050 0.016 0.000 0.804 293 N CB -0.696 37.815 38.487 0.039 0.000 1.135 293 N HN 0.801 nan 8.380 nan 0.000 0.565 294 K N -0.126 120.281 120.400 0.012 0.000 2.380 294 K HA 0.584 4.904 4.320 -0.000 0.000 0.243 294 K C 0.524 177.143 176.600 0.032 0.000 1.071 294 K CA -0.773 55.535 56.287 0.035 0.000 0.942 294 K CB 1.004 33.537 32.500 0.055 0.000 1.324 294 K HN -0.075 nan 8.250 nan 0.000 0.517 295 L N 0.981 122.246 121.223 0.069 0.000 2.360 295 L HA 0.313 4.653 4.340 -0.000 0.000 0.271 295 L C 0.431 177.366 176.870 0.108 0.000 1.057 295 L CA -0.976 53.909 54.840 0.075 0.000 0.803 295 L CB 1.455 43.565 42.059 0.085 0.000 1.207 295 L HN 0.258 nan 8.230 nan 0.000 0.445 296 V N 1.656 121.611 119.914 0.068 0.000 3.061 296 V HA 0.009 4.129 4.120 -0.000 0.000 0.306 296 V C -0.450 175.753 176.094 0.183 0.000 1.118 296 V CA 0.797 63.132 62.300 0.059 0.000 1.231 296 V CB 1.113 32.860 31.823 -0.126 0.000 0.956 296 V HN 0.898 nan 8.190 nan 0.000 0.499 297 D N 3.017 123.581 120.400 0.273 0.000 2.871 297 D HA 0.325 4.965 4.640 -0.000 0.000 0.209 297 D C 0.674 177.155 176.300 0.301 0.000 1.292 297 D CA 0.181 54.348 54.000 0.279 0.000 0.869 297 D CB 1.595 42.522 40.800 0.211 0.000 1.663 297 D HN 0.584 nan 8.370 nan 0.000 0.557 298 G N 1.705 110.725 108.800 0.366 0.000 2.475 298 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 298 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 298 G C 1.746 176.773 174.900 0.213 0.000 1.125 298 G CA 1.352 46.670 45.100 0.365 0.000 0.755 298 G HN 0.764 nan 8.290 nan 0.000 0.565 299 C N -1.379 118.004 119.300 0.138 0.000 2.419 299 C HA 0.111 4.571 4.460 -0.000 0.000 0.283 299 C C 2.304 177.230 174.990 -0.107 0.000 1.373 299 C CA 0.148 59.104 59.018 -0.102 0.000 1.781 299 C CB -1.687 25.900 27.740 -0.255 0.000 1.886 299 C HN 0.475 nan 8.230 nan 0.000 0.520 300 Y N 1.920 122.336 120.300 0.194 0.000 2.583 300 Y HA -0.023 4.527 4.550 -0.000 0.000 0.293 300 Y C 2.700 178.533 175.900 -0.111 0.000 1.157 300 Y CA 0.534 58.698 58.100 0.106 0.000 1.315 300 Y CB -0.292 38.247 38.460 0.132 0.000 1.021 300 Y HN 0.308 nan 8.280 nan 0.000 0.536 301 S N 0.149 115.909 115.700 0.098 0.000 2.419 301 S HA -0.202 4.268 4.470 -0.000 0.000 0.235 301 S C 1.523 176.033 174.600 -0.150 0.000 1.019 301 S CA 1.438 59.648 58.200 0.015 0.000 0.982 301 S CB -0.334 62.951 63.200 0.143 0.000 0.789 301 S HN 0.563 nan 8.310 nan 0.000 0.490 302 F N 0.240 119.998 119.950 -0.320 0.000 2.298 302 F HA 0.194 4.721 4.527 -0.000 0.000 0.282 302 F C 1.597 177.085 175.800 -0.519 0.000 1.045 302 F CA 0.103 57.819 58.000 -0.473 0.000 1.280 302 F CB -0.654 37.999 39.000 -0.578 0.000 1.114 302 F HN 0.135 nan 8.300 nan 0.000 0.546 303 W N 1.148 122.263 121.300 -0.307 0.000 2.325 303 W HA -0.227 4.433 4.660 -0.000 0.000 0.299 303 W C 2.343 178.661 176.519 -0.336 0.000 1.215 303 W CA 1.163 58.291 57.345 -0.363 0.000 1.244 303 W CB -0.490 28.970 29.460 -0.001 0.000 1.140 303 W HN 0.118 nan 8.180 nan 0.000 0.523 304 Q N -0.323 119.339 119.800 -0.231 0.000 2.084 304 Q HA 0.063 4.403 4.340 -0.000 0.000 0.194 304 Q C 2.472 177.965 176.000 -0.845 0.000 0.969 304 Q CA 1.389 56.888 55.803 -0.508 0.000 0.829 304 Q CB -1.284 27.026 28.738 -0.713 0.000 0.904 304 Q HN 0.281 nan 8.270 nan 0.000 0.464 305 A N 1.168 123.229 122.820 -1.266 0.000 2.019 305 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 305 A C 2.211 179.336 177.584 -0.766 0.000 1.164 305 A CA 1.632 52.908 52.037 -1.268 0.000 0.644 305 A CB -0.966 17.193 19.000 -1.401 0.000 0.805 305 A HN 0.443 nan 8.150 nan 0.000 0.449 306 G N -0.305 108.063 108.800 -0.719 0.000 2.470 306 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.220 306 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.220 306 G C 1.404 176.116 174.900 -0.313 0.000 1.121 306 G CA 0.865 45.589 45.100 -0.626 0.000 0.766 306 G HN 0.470 nan 8.290 nan 0.000 0.553 307 L N -0.416 120.663 121.223 -0.239 0.000 2.201 307 L HA 0.034 4.374 4.340 -0.000 0.000 0.212 307 L C 2.732 179.534 176.870 -0.112 0.000 1.105 307 L CA 0.305 55.077 54.840 -0.113 0.000 0.775 307 L CB -0.245 41.792 42.059 -0.035 0.000 0.913 307 L HN 0.190 nan 8.230 nan 0.000 0.440 308 L N -0.435 120.693 121.223 -0.158 0.000 2.056 308 L HA -0.119 4.220 4.340 -0.000 0.000 0.207 308 L C -0.258 176.549 176.870 -0.106 0.000 1.078 308 L CA 1.351 56.190 54.840 -0.001 0.000 0.749 308 L CB -1.516 40.688 42.059 0.243 0.000 0.901 308 L HN 0.183 nan 8.230 nan 0.000 0.433 309 P HA -0.150 nan 4.420 nan 0.000 0.218 309 P C 1.849 179.041 177.300 -0.180 0.000 1.149 309 P CA 1.322 63.974 63.100 -0.746 0.000 0.817 309 P CB 0.071 31.173 31.700 -0.997 0.000 0.785 310 L N -1.677 119.463 121.223 -0.138 0.000 2.056 310 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 310 L C 2.453 179.338 176.870 0.024 0.000 1.078 310 L CA 1.199 56.005 54.840 -0.058 0.000 0.749 310 L CB -0.941 41.054 42.059 -0.106 0.000 0.901 310 L HN -0.047 nan 8.230 nan 0.000 0.433 311 L N -1.025 120.230 121.223 0.052 0.000 2.056 311 L HA -0.242 4.098 4.340 -0.000 0.000 0.207 311 L C 2.623 179.595 176.870 0.170 0.000 1.078 311 L CA 1.202 56.101 54.840 0.099 0.000 0.749 311 L CB -0.599 41.528 42.059 0.113 0.000 0.901 311 L HN 0.293 nan 8.230 nan 0.000 0.433 312 H N 0.096 119.265 119.070 0.165 0.000 2.290 312 H HA -0.231 4.325 4.556 -0.000 0.000 0.298 312 H C 2.523 177.978 175.328 0.212 0.000 1.087 312 H CA 2.152 58.356 56.048 0.260 0.000 1.291 312 H CB 0.116 30.156 29.762 0.462 0.000 1.369 312 H HN 0.073 nan 8.280 nan 0.000 0.492 313 R N 0.119 120.814 120.500 0.324 0.000 2.073 313 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 313 R C 2.399 178.804 176.300 0.175 0.000 1.134 313 R CA 1.308 57.545 56.100 0.228 0.000 0.952 313 R CB -0.464 29.918 30.300 0.138 0.000 0.850 313 R HN 0.413 nan 8.270 nan 0.000 0.433 314 A N 1.182 124.073 122.820 0.118 0.000 1.877 314 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 314 A C 2.244 179.873 177.584 0.075 0.000 1.186 314 A CA 1.314 53.399 52.037 0.080 0.000 0.620 314 A CB -0.556 18.473 19.000 0.048 0.000 0.822 314 A HN 0.369 nan 8.150 nan 0.000 0.443 315 L N -1.563 119.705 121.223 0.074 0.000 2.093 315 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 315 L C 2.703 179.598 176.870 0.041 0.000 1.085 315 L CA 1.459 56.324 54.840 0.041 0.000 0.755 315 L CB -0.676 41.397 42.059 0.022 0.000 0.904 315 L HN 0.612 nan 8.230 nan 0.000 0.435 316 H N 0.497 119.550 119.070 -0.029 0.000 2.389 316 H HA -0.115 4.441 4.556 -0.000 0.000 0.299 316 H C 2.033 177.376 175.328 0.024 0.000 1.081 316 H CA 1.371 57.414 56.048 -0.008 0.000 1.345 316 H CB 0.426 30.211 29.762 0.038 0.000 1.393 316 H HN 0.319 nan 8.280 nan 0.000 0.520 317 A N 0.498 123.373 122.820 0.092 0.000 2.121 317 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 317 A C 2.047 179.620 177.584 -0.019 0.000 1.154 317 A CA 0.989 53.051 52.037 0.042 0.000 0.679 317 A CB -0.227 18.821 19.000 0.079 0.000 0.795 317 A HN 0.554 nan 8.150 nan 0.000 0.458 318 Q N -1.428 118.356 119.800 -0.028 0.000 2.280 318 Q HA 0.297 4.637 4.340 -0.000 0.000 0.201 318 Q C 0.853 176.817 176.000 -0.061 0.000 0.890 318 Q CA 0.217 56.002 55.803 -0.030 0.000 0.947 318 Q CB 0.290 29.023 28.738 -0.009 0.000 1.081 318 Q HN 0.773 nan 8.270 nan 0.000 0.502 319 G N 2.058 110.782 108.800 -0.127 0.000 2.221 319 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.265 319 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.265 319 G C -0.348 174.492 174.900 -0.099 0.000 1.041 319 G CA 0.262 45.270 45.100 -0.152 0.000 0.807 319 G HN 0.390 nan 8.290 nan 0.000 0.502 320 D N 0.585 120.938 120.400 -0.078 0.000 2.389 320 D HA 0.186 4.826 4.640 -0.000 0.000 0.263 320 D C 0.148 176.435 176.300 -0.022 0.000 1.255 320 D CA -0.933 53.047 54.000 -0.034 0.000 0.914 320 D CB 1.082 41.870 40.800 -0.019 0.000 1.116 320 D HN 0.273 nan 8.370 nan 0.000 0.502 321 P HA 0.034 nan 4.420 nan 0.000 0.231 321 P C 0.578 177.889 177.300 0.019 0.000 1.168 321 P CA 0.218 63.320 63.100 0.004 0.000 0.779 321 P CB 0.381 32.081 31.700 0.000 0.000 0.844 322 A N -0.336 122.495 122.820 0.018 0.000 2.275 322 A HA 0.201 4.521 4.320 -0.000 0.000 0.212 322 A C 1.077 178.682 177.584 0.035 0.000 1.201 322 A CA -0.220 51.831 52.037 0.024 0.000 0.843 322 A CB -0.794 18.218 19.000 0.021 0.000 0.873 322 A HN 0.129 nan 8.150 nan 0.000 0.492 323 L N 0.966 122.212 121.223 0.039 0.000 2.453 323 L HA 0.109 4.449 4.340 -0.000 0.000 0.272 323 L C 1.154 178.092 176.870 0.112 0.000 1.182 323 L CA -0.274 54.597 54.840 0.052 0.000 0.858 323 L CB 0.984 43.012 42.059 -0.052 0.000 1.120 323 L HN 0.314 nan 8.230 nan 0.000 0.474 324 S N 2.861 118.646 115.700 0.142 0.000 2.566 324 S HA 0.073 4.543 4.470 -0.000 0.000 0.280 324 S C 0.721 175.368 174.600 0.077 0.000 1.343 324 S CA -0.275 57.953 58.200 0.048 0.000 1.036 324 S CB 0.518 63.693 63.200 -0.041 0.000 0.866 324 S HN 0.580 nan 8.310 nan 0.000 0.526 325 M N 3.226 122.763 119.600 -0.105 0.000 2.484 325 M HA 0.179 4.659 4.480 -0.000 0.000 0.307 325 M C 0.947 176.936 176.300 -0.519 0.000 1.149 325 M CA 0.162 55.419 55.300 -0.073 0.000 0.972 325 M CB -0.322 32.297 32.600 0.032 0.000 1.400 325 M HN 0.846 nan 8.290 nan 0.000 0.508 326 S N -2.298 112.738 115.700 -1.107 0.000 2.684 326 S HA 0.241 4.711 4.470 -0.000 0.000 0.268 326 S C 0.151 173.559 174.600 -1.987 0.000 1.075 326 S CA -0.327 57.008 58.200 -1.443 0.000 1.184 326 S CB 0.662 63.241 63.200 -1.035 0.000 1.129 326 S HN 0.468 nan 8.310 nan 0.000 0.630 327 H N -0.933 117.247 119.070 -1.483 0.000 2.895 327 H HA 0.572 5.128 4.556 -0.000 0.000 0.373 327 H C -1.310 173.713 175.328 -0.508 0.000 1.174 327 H CA -0.853 54.667 56.048 -0.881 0.000 1.144 327 H CB 0.774 30.256 29.762 -0.467 0.000 1.793 327 H HN 0.295 nan 8.280 nan 0.000 0.551 328 W N 1.735 123.101 121.300 0.111 0.000 2.129 328 W HA 0.222 4.882 4.660 -0.000 0.000 0.349 328 W C 0.535 177.118 176.519 0.106 0.000 1.279 328 W CA -0.676 56.790 57.345 0.203 0.000 1.306 328 W CB 0.513 30.108 29.460 0.226 0.000 1.140 328 W HN 0.350 nan 8.180 nan 0.000 0.613 329 M N 3.331 123.252 119.600 0.536 0.000 3.607 329 M HA 0.181 4.661 4.480 -0.000 0.000 0.206 329 M C -1.115 175.439 176.300 0.423 0.000 1.314 329 M CA 0.164 55.675 55.300 0.352 0.000 1.526 329 M CB -0.933 31.855 32.600 0.313 0.000 1.101 329 M HN 0.324 nan 8.290 nan 0.000 0.539 330 F N -3.719 116.384 119.950 0.256 0.000 2.685 330 F HA 0.445 4.972 4.527 -0.000 0.000 0.315 330 F C -0.487 175.406 175.800 0.156 0.000 1.126 330 F CA -1.330 56.808 58.000 0.230 0.000 0.950 330 F CB 0.842 40.075 39.000 0.387 0.000 1.360 330 F HN -0.065 nan 8.300 nan 0.000 0.469 331 H N 2.674 121.816 119.070 0.120 0.000 3.205 331 H HA 0.173 4.728 4.556 -0.000 0.000 0.262 331 H C 0.610 175.880 175.328 -0.096 0.000 1.333 331 H CA 0.783 56.759 56.048 -0.120 0.000 1.499 331 H CB 0.953 30.599 29.762 -0.194 0.000 1.609 331 H HN 0.853 nan 8.280 nan 0.000 0.498 332 Q N 2.516 122.116 119.800 -0.333 0.000 2.096 332 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 332 Q C 2.156 178.204 176.000 0.080 0.000 0.982 332 Q CA 1.593 57.295 55.803 -0.169 0.000 0.850 332 Q CB 0.179 28.784 28.738 -0.222 0.000 0.901 332 Q HN 0.709 nan 8.270 nan 0.000 0.422 333 Q N 0.092 119.910 119.800 0.031 0.000 2.050 333 Q HA -0.188 4.151 4.340 -0.000 0.000 0.202 333 Q C 2.033 178.102 176.000 0.114 0.000 0.980 333 Q CA 1.426 57.273 55.803 0.073 0.000 0.840 333 Q CB -0.170 28.586 28.738 0.030 0.000 0.898 333 Q HN 0.387 nan 8.270 nan 0.000 0.424 334 A N 0.760 123.660 122.820 0.134 0.000 1.933 334 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 334 A C 1.986 179.653 177.584 0.138 0.000 1.175 334 A CA 1.296 53.297 52.037 -0.060 0.000 0.628 334 A CB -0.715 18.018 19.000 -0.446 0.000 0.814 334 A HN 0.490 nan 8.150 nan 0.000 0.444 335 L N 0.001 121.378 121.223 0.257 0.000 2.017 335 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 335 L C 2.513 179.569 176.870 0.309 0.000 1.073 335 L CA 2.319 57.373 54.840 0.357 0.000 0.745 335 L CB -0.777 41.609 42.059 0.546 0.000 0.894 335 L HN 0.517 nan 8.230 nan 0.000 0.432 336 Q N -0.596 119.346 119.800 0.237 0.000 2.096 336 Q HA -0.252 4.088 4.340 -0.000 0.000 0.204 336 Q C 2.067 178.147 176.000 0.134 0.000 0.982 336 Q CA 2.066 57.966 55.803 0.161 0.000 0.850 336 Q CB -0.275 28.526 28.738 0.105 0.000 0.901 336 Q HN 0.649 nan 8.270 nan 0.000 0.422 337 E N 0.035 120.310 120.200 0.125 0.000 2.058 337 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 337 E C 1.786 178.506 176.600 0.201 0.000 0.997 337 E CA 1.200 57.664 56.400 0.107 0.000 0.801 337 E CB -0.248 29.466 29.700 0.023 0.000 0.746 337 E HN 0.338 nan 8.360 nan 0.000 0.450 338 Y N 1.469 121.863 120.300 0.156 0.000 2.128 338 Y HA -0.246 4.304 4.550 -0.000 0.000 0.284 338 Y C 1.972 177.957 175.900 0.142 0.000 1.154 338 Y CA 1.569 59.782 58.100 0.187 0.000 1.149 338 Y CB -0.243 38.320 38.460 0.173 0.000 0.976 338 Y HN -0.051 nan 8.280 nan 0.000 0.505 339 I N -0.513 120.075 120.570 0.031 0.000 2.202 339 I HA -0.327 3.843 4.170 -0.000 0.000 0.242 339 I C 2.360 178.433 176.117 -0.073 0.000 1.091 339 I CA 1.402 62.660 61.300 -0.070 0.000 1.368 339 I CB -0.462 37.580 38.000 0.071 0.000 1.058 339 I HN 0.236 nan 8.210 nan 0.000 0.410 340 L N -0.433 120.795 121.223 0.009 0.000 2.056 340 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 340 L C 2.557 179.445 176.870 0.031 0.000 1.078 340 L CA 1.389 56.246 54.840 0.029 0.000 0.749 340 L CB -0.305 41.782 42.059 0.046 0.000 0.901 340 L HN 0.272 nan 8.230 nan 0.000 0.433 341 M N -2.022 117.607 119.600 0.047 0.000 2.334 341 M HA -0.104 4.376 4.480 -0.000 0.000 0.266 341 M C 1.895 178.189 176.300 -0.009 0.000 1.082 341 M CA 0.985 56.344 55.300 0.097 0.000 1.141 341 M CB 0.040 32.785 32.600 0.243 0.000 1.380 341 M HN 0.362 nan 8.290 nan 0.000 0.440 342 C N -1.884 117.320 119.300 -0.161 0.000 3.097 342 C HA 0.145 4.605 4.460 -0.000 0.000 0.335 342 C C 1.980 176.791 174.990 -0.299 0.000 1.283 342 C CA -0.379 58.472 59.018 -0.278 0.000 1.778 342 C CB -0.174 27.277 27.740 -0.482 0.000 2.365 342 C HN 0.568 nan 8.230 nan 0.000 0.627 343 C N 0.827 119.949 119.300 -0.296 0.000 3.104 343 C HA 0.205 4.665 4.460 -0.000 0.000 0.284 343 C C 0.609 175.528 174.990 -0.119 0.000 1.326 343 C CA -0.129 58.753 59.018 -0.227 0.000 1.725 343 C CB -1.530 26.066 27.740 -0.240 0.000 2.156 343 C HN 0.598 nan 8.230 nan 0.000 0.638 344 Q N 0.361 120.120 119.800 -0.069 0.000 2.271 344 Q HA 0.324 4.664 4.340 -0.000 0.000 0.258 344 Q C -0.448 175.545 176.000 -0.012 0.000 0.936 344 Q CA -0.062 55.749 55.803 0.014 0.000 0.909 344 Q CB 1.847 30.637 28.738 0.086 0.000 1.253 344 Q HN 0.465 nan 8.270 nan 0.000 0.440 345 C N 4.559 123.854 119.300 -0.009 0.000 2.435 345 C HA 0.316 4.776 4.460 -0.000 0.000 0.375 345 C C -1.252 173.706 174.990 -0.054 0.000 1.281 345 C CA -1.818 57.161 59.018 -0.065 0.000 1.963 345 C CB 0.046 27.703 27.740 -0.139 0.000 2.490 345 C HN 0.726 nan 8.230 nan 0.000 0.557 346 P HA -0.031 nan 4.420 nan 0.000 0.218 346 P C 1.071 178.319 177.300 -0.086 0.000 1.149 346 P CA 1.772 64.831 63.100 -0.068 0.000 0.817 346 P CB 0.018 31.683 31.700 -0.058 0.000 0.785 347 A N -1.029 121.736 122.820 -0.091 0.000 2.238 347 A HA 0.477 4.797 4.320 -0.000 0.000 0.208 347 A C 1.027 178.554 177.584 -0.095 0.000 1.177 347 A CA 0.742 52.727 52.037 -0.086 0.000 0.804 347 A CB -0.991 17.964 19.000 -0.074 0.000 0.823 347 A HN 0.331 nan 8.150 nan 0.000 0.482 348 G N -2.703 106.022 108.800 -0.125 0.000 2.674 348 G HA2 0.539 4.499 3.960 -0.000 0.000 0.686 348 G HA3 0.539 4.499 3.960 -0.000 0.000 0.686 348 G C 0.371 175.125 174.900 -0.244 0.000 1.195 348 G CA -0.232 44.830 45.100 -0.065 0.000 0.776 348 G HN 2.413 nan 8.290 nan 0.000 0.654 349 G N -1.059 107.822 108.800 0.135 0.000 2.690 349 G HA2 0.364 4.324 3.960 -0.000 0.000 0.686 349 G HA3 0.364 4.324 3.960 -0.000 0.000 0.686 349 G C -0.599 174.212 174.900 -0.148 0.000 1.277 349 G CA 0.123 45.074 45.100 -0.249 0.000 0.799 349 G HN 1.670 nan 8.290 nan 0.000 0.613 350 L N 0.061 121.190 121.223 -0.155 0.000 2.271 350 L HA 0.989 5.329 4.340 -0.000 0.000 0.265 350 L C 0.442 177.264 176.870 -0.081 0.000 1.013 350 L CA -0.959 53.805 54.840 -0.126 0.000 0.820 350 L CB 1.800 43.764 42.059 -0.157 0.000 1.352 350 L HN 1.126 nan 8.230 nan 0.000 0.443 351 L N -3.349 117.810 121.223 -0.107 0.000 2.502 351 L HA 0.690 5.030 4.340 -0.000 0.000 0.253 351 L C 0.270 176.958 176.870 -0.304 0.000 1.070 351 L CA -0.669 54.035 54.840 -0.226 0.000 0.871 351 L CB 0.688 42.626 42.059 -0.202 0.000 1.487 351 L HN 0.456 nan 8.230 nan 0.000 0.408 352 D N 0.158 120.198 120.400 -0.600 0.000 2.077 352 D HA -0.057 4.583 4.640 -0.000 0.000 0.196 352 D C 0.048 176.335 176.300 -0.022 0.000 0.986 352 D CA 2.288 56.070 54.000 -0.363 0.000 0.829 352 D CB 0.344 40.888 40.800 -0.428 0.000 0.983 352 D HN 0.739 nan 8.370 nan 0.000 0.453 353 K N -1.950 118.425 120.400 -0.043 0.000 2.578 353 K HA 0.529 4.848 4.320 -0.000 0.000 0.287 353 K C -3.046 173.537 176.600 -0.029 0.000 1.010 353 K CA -1.725 54.590 56.287 0.047 0.000 0.889 353 K CB 1.328 33.912 32.500 0.141 0.000 1.514 353 K HN -0.287 nan 8.250 nan 0.000 0.424 354 P HA 0.061 nan 4.420 nan 0.000 0.265 354 P C 0.484 177.762 177.300 -0.037 0.000 1.193 354 P CA 1.479 64.549 63.100 -0.050 0.000 0.765 354 P CB 0.703 32.373 31.700 -0.050 0.000 0.823 355 G N 1.467 110.238 108.800 -0.048 0.000 2.254 355 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.225 355 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.225 355 G C 0.189 175.060 174.900 -0.049 0.000 1.003 355 G CA -0.292 44.783 45.100 -0.041 0.000 0.622 355 G HN 0.482 nan 8.290 nan 0.000 0.507 356 K N 1.486 121.847 120.400 -0.065 0.000 2.090 356 K HA 0.617 4.937 4.320 -0.000 0.000 0.250 356 K C 0.785 177.326 176.600 -0.097 0.000 1.004 356 K CA 0.319 56.556 56.287 -0.084 0.000 0.919 356 K CB 1.387 33.815 32.500 -0.119 0.000 1.045 356 K HN 0.619 nan 8.250 nan 0.000 0.471 357 S N 0.558 116.202 115.700 -0.093 0.000 2.646 357 S HA 0.385 4.854 4.470 -0.000 0.000 0.276 357 S C 0.185 174.721 174.600 -0.107 0.000 1.222 357 S CA -0.973 57.173 58.200 -0.090 0.000 1.014 357 S CB 1.118 64.279 63.200 -0.065 0.000 0.991 357 S HN 0.568 nan 8.310 nan 0.000 0.533 358 R N 0.433 120.861 120.500 -0.121 0.000 2.738 358 R HA 0.521 4.861 4.340 -0.000 0.000 0.268 358 R C -0.955 175.325 176.300 -0.033 0.000 1.062 358 R CA -0.298 55.719 56.100 -0.139 0.000 1.158 358 R CB -0.354 29.761 30.300 -0.309 0.000 1.046 358 R HN 0.863 nan 8.270 nan 0.000 0.493 359 D N -0.182 120.247 120.400 0.049 0.000 2.671 359 D HA 0.111 4.751 4.640 -0.000 0.000 0.273 359 D C -0.474 175.911 176.300 0.141 0.000 1.264 359 D CA -0.820 53.276 54.000 0.160 0.000 0.788 359 D CB 0.060 40.991 40.800 0.219 0.000 1.324 359 D HN 0.386 nan 8.370 nan 0.000 0.424 360 F N -0.907 119.275 119.950 0.386 0.000 2.456 360 F HA 0.023 4.550 4.527 -0.000 0.000 0.298 360 F C 1.861 177.638 175.800 -0.038 0.000 1.104 360 F CA 0.319 58.435 58.000 0.194 0.000 1.435 360 F CB -0.227 38.874 39.000 0.169 0.000 1.078 360 F HN 0.465 nan 8.300 nan 0.000 0.546 361 Y N 0.457 120.603 120.300 -0.256 0.000 2.133 361 Y HA -0.255 4.295 4.550 -0.000 0.000 0.287 361 Y C 2.389 178.000 175.900 -0.482 0.000 1.134 361 Y CA 1.994 59.526 58.100 -0.947 0.000 1.133 361 Y CB -0.828 37.010 38.460 -1.037 0.000 0.987 361 Y HN 0.032 nan 8.280 nan 0.000 0.502 362 H N -0.954 118.033 119.070 -0.139 0.000 2.457 362 H HA -0.086 4.470 4.556 -0.000 0.000 0.294 362 H C 2.151 177.359 175.328 -0.199 0.000 1.064 362 H CA 1.856 57.804 56.048 -0.167 0.000 1.330 362 H CB -0.298 29.455 29.762 -0.016 0.000 1.395 362 H HN 0.319 nan 8.280 nan 0.000 0.541 363 T N -0.450 114.079 114.554 -0.042 0.000 2.708 363 T HA -0.248 4.102 4.350 -0.000 0.000 0.266 363 T C 2.364 176.939 174.700 -0.207 0.000 1.037 363 T CA 1.296 63.348 62.100 -0.081 0.000 1.146 363 T CB -0.707 68.213 68.868 0.088 0.000 0.865 363 T HN 0.550 nan 8.240 nan 0.000 0.435 364 C N 0.642 119.745 119.300 -0.328 0.000 2.418 364 C HA -0.136 4.324 4.460 -0.000 0.000 0.280 364 C C 2.375 176.971 174.990 -0.658 0.000 1.223 364 C CA 0.696 59.382 59.018 -0.553 0.000 1.736 364 C CB -1.415 25.843 27.740 -0.802 0.000 2.056 364 C HN 0.667 nan 8.230 nan 0.000 0.459 365 Y N -0.182 119.815 120.300 -0.505 0.000 2.395 365 Y HA -0.034 4.516 4.550 -0.000 0.000 0.293 365 Y C 2.820 178.548 175.900 -0.286 0.000 1.123 365 Y CA 1.257 59.041 58.100 -0.527 0.000 1.227 365 Y CB -0.565 37.406 38.460 -0.816 0.000 1.012 365 Y HN 0.416 nan 8.280 nan 0.000 0.552 366 C N -0.072 119.167 119.300 -0.101 0.000 2.446 366 C HA -0.138 4.322 4.460 -0.000 0.000 0.277 366 C C 2.648 177.612 174.990 -0.044 0.000 1.275 366 C CA 0.891 59.892 59.018 -0.028 0.000 1.727 366 C CB -1.180 26.542 27.740 -0.030 0.000 2.010 366 C HN 0.527 nan 8.230 nan 0.000 0.486 367 L N 0.444 121.596 121.223 -0.118 0.000 2.109 367 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 367 L C 2.633 179.464 176.870 -0.066 0.000 1.086 367 L CA 1.232 56.009 54.840 -0.105 0.000 0.760 367 L CB -0.664 41.295 42.059 -0.168 0.000 0.910 367 L HN 0.295 nan 8.230 nan 0.000 0.437 368 S N 0.290 115.928 115.700 -0.104 0.000 2.370 368 S HA -0.148 4.322 4.470 -0.000 0.000 0.226 368 S C 2.048 176.744 174.600 0.161 0.000 1.033 368 S CA 1.357 59.561 58.200 0.007 0.000 1.011 368 S CB -0.685 62.423 63.200 -0.153 0.000 0.852 368 S HN 0.604 nan 8.310 nan 0.000 0.457 369 G N 1.489 110.372 108.800 0.138 0.000 2.422 369 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.218 369 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.218 369 G C 1.380 176.373 174.900 0.155 0.000 1.146 369 G CA 0.746 45.926 45.100 0.133 0.000 0.769 369 G HN 0.398 nan 8.290 nan 0.000 0.547 370 L N 0.996 122.292 121.223 0.120 0.000 2.017 370 L HA 0.040 4.380 4.340 -0.000 0.000 0.208 370 L C 2.894 179.842 176.870 0.129 0.000 1.073 370 L CA 2.379 57.292 54.840 0.121 0.000 0.745 370 L CB -0.865 41.234 42.059 0.067 0.000 0.894 370 L HN 0.220 nan 8.230 nan 0.000 0.432 371 S N -0.628 115.154 115.700 0.136 0.000 2.359 371 S HA -0.174 4.296 4.470 -0.000 0.000 0.224 371 S C 2.052 176.824 174.600 0.286 0.000 1.035 371 S CA 1.567 59.890 58.200 0.205 0.000 1.018 371 S CB -0.327 63.011 63.200 0.229 0.000 0.876 371 S HN 0.422 nan 8.310 nan 0.000 0.448 372 I N 2.009 122.752 120.570 0.288 0.000 2.163 372 I HA -0.167 4.003 4.170 -0.000 0.000 0.243 372 I C 2.781 179.202 176.117 0.507 0.000 1.085 372 I CA 1.578 63.081 61.300 0.337 0.000 1.347 372 I CB -1.876 36.224 38.000 0.167 0.000 1.044 372 I HN 0.382 nan 8.210 nan 0.000 0.408 373 A N -0.188 122.905 122.820 0.455 0.000 2.067 373 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 373 A C 2.227 179.956 177.584 0.241 0.000 1.158 373 A CA 1.153 53.489 52.037 0.497 0.000 0.661 373 A CB -0.422 18.851 19.000 0.455 0.000 0.801 373 A HN 0.540 nan 8.150 nan 0.000 0.452 374 Q N -1.123 118.736 119.800 0.098 0.000 2.204 374 Q HA 0.019 4.359 4.340 -0.000 0.000 0.198 374 Q C -0.188 175.664 176.000 -0.247 0.000 0.946 374 Q CA 0.532 56.226 55.803 -0.181 0.000 0.859 374 Q CB 0.189 28.664 28.738 -0.437 0.000 0.946 374 Q HN 0.694 nan 8.270 nan 0.000 0.474 375 H N -0.623 118.573 119.070 0.210 0.000 2.595 375 H HA 0.202 4.757 4.556 -0.000 0.000 0.313 375 H C -1.481 174.000 175.328 0.256 0.000 1.023 375 H CA -0.600 55.550 56.048 0.171 0.000 1.218 375 H CB 0.454 30.315 29.762 0.166 0.000 1.403 375 H HN 0.046 nan 8.280 nan 0.000 0.477 376 F N 2.162 122.045 119.950 -0.111 0.000 2.421 376 F HA 0.598 5.125 4.527 -0.000 0.000 0.337 376 F C -0.075 175.523 175.800 -0.337 0.000 1.105 376 F CA -0.333 57.289 58.000 -0.630 0.000 1.049 376 F CB 1.644 40.052 39.000 -0.986 0.000 1.139 376 F HN 0.553 nan 8.300 nan 0.000 0.479 377 G N 2.635 110.695 108.800 -1.232 0.000 2.684 377 G HA2 0.444 4.404 3.960 -0.000 0.000 0.289 377 G HA3 0.444 4.404 3.960 -0.000 0.000 0.289 377 G C -1.930 172.444 174.900 -0.876 0.000 1.416 377 G CA -0.696 43.962 45.100 -0.736 0.000 1.235 377 G HN 0.721 nan 8.290 nan 0.000 0.576 378 S N 1.661 116.961 115.700 -0.666 0.000 2.496 378 S HA 0.613 5.083 4.470 -0.000 0.000 0.221 378 S C 1.026 175.503 174.600 -0.204 0.000 1.260 378 S CA 0.979 58.931 58.200 -0.412 0.000 1.181 378 S CB -0.124 62.878 63.200 -0.330 0.000 1.136 378 S HN 2.495 nan 8.310 nan 0.000 0.467 379 G N 4.072 112.785 108.800 -0.145 0.000 2.574 379 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.301 379 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.301 379 G C 1.171 176.052 174.900 -0.032 0.000 1.166 379 G CA 0.328 45.395 45.100 -0.056 0.000 0.971 379 G HN 1.613 nan 8.290 nan 0.000 0.542 380 A N -0.033 122.786 122.820 -0.001 0.000 2.016 380 A HA 0.442 4.762 4.320 -0.000 0.000 0.217 380 A C 1.629 179.219 177.584 0.009 0.000 1.162 380 A CA 1.808 53.850 52.037 0.009 0.000 0.662 380 A CB -0.295 18.720 19.000 0.025 0.000 0.812 380 A HN 0.682 nan 8.150 nan 0.000 0.450 381 M N 0.567 120.177 119.600 0.017 0.000 2.228 381 M HA 0.421 4.901 4.480 -0.000 0.000 0.351 381 M C -0.889 175.439 176.300 0.047 0.000 1.233 381 M CA 0.725 56.059 55.300 0.055 0.000 1.129 381 M CB -0.000 32.678 32.600 0.130 0.000 1.604 381 M HN 0.128 nan 8.290 nan 0.000 0.457 382 L N 2.850 124.121 121.223 0.080 0.000 2.436 382 L HA 0.488 4.828 4.340 -0.000 0.000 0.268 382 L C -1.094 175.872 176.870 0.159 0.000 0.974 382 L CA -0.574 54.319 54.840 0.088 0.000 0.826 382 L CB 2.275 44.355 42.059 0.034 0.000 1.291 382 L HN 0.748 nan 8.230 nan 0.000 0.406 383 H N 1.316 120.415 119.070 0.048 0.000 2.966 383 H HA 0.458 5.014 4.556 -0.000 0.000 0.347 383 H C -1.765 173.527 175.328 -0.061 0.000 1.048 383 H CA -0.489 55.515 56.048 -0.074 0.000 1.295 383 H CB 1.738 31.337 29.762 -0.271 0.000 1.744 383 H HN 0.434 nan 8.280 nan 0.000 0.513 384 D N 3.480 123.549 120.400 -0.551 0.000 2.185 384 D HA 0.404 5.044 4.640 -0.000 0.000 0.247 384 D C -0.572 175.390 176.300 -0.563 0.000 1.027 384 D CA -0.422 53.342 54.000 -0.392 0.000 0.861 384 D CB 2.412 43.115 40.800 -0.162 0.000 1.202 384 D HN 0.230 nan 8.370 nan 0.000 0.453 385 V N 2.058 121.777 119.914 -0.325 0.000 2.376 385 V HA 0.298 4.418 4.120 -0.000 0.000 0.287 385 V C -0.285 175.723 176.094 -0.143 0.000 1.015 385 V CA -0.763 61.417 62.300 -0.200 0.000 0.834 385 V CB 1.827 33.599 31.823 -0.085 0.000 1.001 385 V HN 0.277 nan 8.190 nan 0.000 0.428 386 V N 5.906 125.749 119.914 -0.118 0.000 2.304 386 V HA 0.416 4.536 4.120 -0.000 0.000 0.278 386 V C 0.219 176.280 176.094 -0.055 0.000 1.018 386 V CA -0.528 61.720 62.300 -0.088 0.000 0.814 386 V CB 1.401 33.174 31.823 -0.083 0.000 1.021 386 V HN 0.722 nan 8.190 nan 0.000 0.440 387 M N 3.147 122.726 119.600 -0.036 0.000 2.243 387 M HA 0.488 4.968 4.480 -0.000 0.000 0.341 387 M C 1.087 177.370 176.300 -0.027 0.000 1.130 387 M CA 1.053 56.337 55.300 -0.028 0.000 1.162 387 M CB 0.379 32.972 32.600 -0.011 0.000 1.497 387 M HN 0.943 nan 8.290 nan 0.000 0.456 388 G N 1.303 110.080 108.800 -0.037 0.000 2.593 388 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.237 388 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.237 388 G C -0.296 174.586 174.900 -0.031 0.000 1.312 388 G CA -0.323 44.755 45.100 -0.037 0.000 0.896 388 G HN 1.194 nan 8.290 nan 0.000 0.574 389 V N -0.982 118.918 119.914 -0.024 0.000 2.763 389 V HA 0.445 4.565 4.120 -0.000 0.000 0.306 389 V C -0.041 176.042 176.094 -0.018 0.000 1.059 389 V CA 0.168 62.456 62.300 -0.020 0.000 1.138 389 V CB 0.929 32.744 31.823 -0.014 0.000 0.940 389 V HN 0.780 nan 8.190 nan 0.000 0.489 390 P HA -0.117 nan 4.420 nan 0.000 0.219 390 P C 1.054 178.349 177.300 -0.009 0.000 1.146 390 P CA 1.294 64.384 63.100 -0.017 0.000 0.808 390 P CB 0.247 31.937 31.700 -0.017 0.000 0.779 391 E N -0.249 119.947 120.200 -0.006 0.000 2.401 391 E HA -0.119 4.231 4.350 -0.000 0.000 0.199 391 E C 1.646 178.250 176.600 0.008 0.000 1.023 391 E CA 0.496 56.896 56.400 -0.000 0.000 0.859 391 E CB -1.006 28.692 29.700 -0.003 0.000 0.780 391 E HN 0.255 nan 8.360 nan 0.000 0.523 392 N N 0.134 118.837 118.700 0.006 0.000 2.381 392 N HA -0.082 4.658 4.740 -0.000 0.000 0.182 392 N C 0.305 175.824 175.510 0.015 0.000 1.025 392 N CA 0.227 53.285 53.050 0.013 0.000 0.888 392 N CB -0.096 38.395 38.487 0.005 0.000 0.965 392 N HN 0.102 nan 8.380 nan 0.000 0.438 393 V N 1.980 121.901 119.914 0.010 0.000 2.617 393 V HA -0.004 4.116 4.120 -0.000 0.000 0.304 393 V C 0.197 176.335 176.094 0.073 0.000 1.040 393 V CA 0.071 62.385 62.300 0.024 0.000 1.149 393 V CB 0.014 31.864 31.823 0.044 0.000 0.914 393 V HN 0.033 nan 8.190 nan 0.000 0.487 394 L N 5.672 126.968 121.223 0.121 0.000 2.365 394 L HA 0.528 4.868 4.340 -0.000 0.000 0.267 394 L C 0.154 177.159 176.870 0.225 0.000 1.033 394 L CA -1.001 53.920 54.840 0.136 0.000 0.802 394 L CB 1.261 43.381 42.059 0.101 0.000 1.267 394 L HN 0.511 nan 8.230 nan 0.000 0.457 395 Q N 1.676 121.541 119.800 0.108 0.000 2.394 395 Q HA 0.235 4.575 4.340 -0.000 0.000 0.248 395 Q C -2.233 173.810 176.000 0.073 0.000 0.992 395 Q CA -1.523 54.314 55.803 0.058 0.000 0.888 395 Q CB 0.393 29.144 28.738 0.022 0.000 1.257 395 Q HN 0.254 nan 8.270 nan 0.000 0.462 396 P HA 0.080 nan 4.420 nan 0.000 0.274 396 P C -0.443 176.936 177.300 0.132 0.000 1.237 396 P CA -0.150 62.952 63.100 0.003 0.000 0.793 396 P CB 0.835 32.441 31.700 -0.156 0.000 0.977 397 T N -0.122 114.558 114.554 0.209 0.000 2.893 397 T HA 0.204 4.554 4.350 -0.000 0.000 0.291 397 T C -0.789 174.086 174.700 0.292 0.000 1.028 397 T CA -0.511 61.761 62.100 0.286 0.000 0.995 397 T CB 0.405 69.483 68.868 0.350 0.000 1.051 397 T HN 0.361 nan 8.240 nan 0.000 0.470 398 H N 5.457 124.679 119.070 0.252 0.000 2.819 398 H HA 0.248 4.804 4.556 -0.000 0.000 0.303 398 H C -1.665 173.855 175.328 0.321 0.000 1.058 398 H CA -1.775 54.431 56.048 0.264 0.000 1.471 398 H CB 1.888 31.835 29.762 0.308 0.000 1.480 398 H HN 0.425 nan 8.280 nan 0.000 0.517 399 P HA -0.109 nan 4.420 nan 0.000 0.226 399 P C 1.313 178.893 177.300 0.468 0.000 1.153 399 P CA 0.434 63.701 63.100 0.279 0.000 0.777 399 P CB 0.646 32.337 31.700 -0.014 0.000 0.794 400 V N -1.519 118.707 119.914 0.521 0.000 2.379 400 V HA -0.122 3.997 4.120 -0.000 0.000 0.243 400 V C 2.128 178.444 176.094 0.369 0.000 1.035 400 V CA 1.633 64.100 62.300 0.280 0.000 1.035 400 V CB -1.168 30.625 31.823 -0.050 0.000 0.673 400 V HN -0.010 nan 8.190 nan 0.000 0.457 401 Y N -0.884 119.757 120.300 0.569 0.000 2.481 401 Y HA 0.284 4.834 4.550 -0.000 0.000 0.258 401 Y C 1.356 177.477 175.900 0.368 0.000 1.103 401 Y CA 0.115 58.463 58.100 0.413 0.000 1.287 401 Y CB -0.001 38.508 38.460 0.082 0.000 1.108 401 Y HN 0.338 nan 8.280 nan 0.000 0.529 402 N N 1.292 120.297 118.700 0.509 0.000 2.725 402 N HA -0.204 4.536 4.740 -0.000 0.000 0.251 402 N C -0.818 174.606 175.510 -0.143 0.000 1.031 402 N CA 0.936 54.088 53.050 0.170 0.000 0.720 402 N CB -1.400 36.993 38.487 -0.156 0.000 0.930 402 N HN 0.630 nan 8.380 nan 0.000 0.543 403 I N -4.156 116.462 120.570 0.081 0.000 3.002 403 I HA 0.749 4.919 4.170 -0.000 0.000 0.310 403 I C 1.100 177.361 176.117 0.241 0.000 1.087 403 I CA -1.032 60.303 61.300 0.059 0.000 1.017 403 I CB 1.562 39.585 38.000 0.039 0.000 1.226 403 I HN 0.013 nan 8.210 nan 0.000 0.443 404 G N 2.560 111.511 108.800 0.251 0.000 2.287 404 G HA2 0.217 4.177 3.960 -0.000 0.000 0.235 404 G HA3 0.217 4.177 3.960 -0.000 0.000 0.235 404 G C -1.911 173.102 174.900 0.188 0.000 1.258 404 G CA -0.615 44.608 45.100 0.205 0.000 0.884 404 G HN 0.622 nan 8.290 nan 0.000 0.518 405 P HA -0.097 nan 4.420 nan 0.000 0.218 405 P C 1.499 178.888 177.300 0.148 0.000 1.149 405 P CA 1.393 64.649 63.100 0.259 0.000 0.817 405 P CB 0.192 32.030 31.700 0.231 0.000 0.785 406 D N -0.075 120.386 120.400 0.102 0.000 2.144 406 D HA -0.182 4.458 4.640 -0.000 0.000 0.199 406 D C 1.464 177.798 176.300 0.058 0.000 0.984 406 D CA 1.350 55.391 54.000 0.068 0.000 0.834 406 D CB -0.741 40.089 40.800 0.051 0.000 0.955 406 D HN 0.072 nan 8.370 nan 0.000 0.465 407 K N 0.587 121.024 120.400 0.060 0.000 2.103 407 K HA 0.030 4.350 4.320 -0.000 0.000 0.204 407 K C 2.434 179.036 176.600 0.003 0.000 1.052 407 K CA 0.268 56.584 56.287 0.047 0.000 0.945 407 K CB -0.563 31.966 32.500 0.048 0.000 0.722 407 K HN 0.182 nan 8.250 nan 0.000 0.443 408 V N 2.062 121.950 119.914 -0.043 0.000 2.261 408 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 408 V C 2.393 178.428 176.094 -0.098 0.000 1.047 408 V CA 1.580 63.773 62.300 -0.178 0.000 1.015 408 V CB -0.403 31.263 31.823 -0.263 0.000 0.642 408 V HN 0.172 nan 8.190 nan 0.000 0.446 409 I N -0.415 120.149 120.570 -0.011 0.000 2.179 409 I HA -0.327 3.843 4.170 -0.000 0.000 0.242 409 I C 2.678 178.797 176.117 0.003 0.000 1.088 409 I CA 2.008 63.314 61.300 0.011 0.000 1.357 409 I CB -0.464 37.562 38.000 0.043 0.000 1.051 409 I HN 0.390 nan 8.210 nan 0.000 0.409 410 Q N 0.959 120.773 119.800 0.023 0.000 2.061 410 Q HA -0.247 4.093 4.340 -0.000 0.000 0.204 410 Q C 2.318 178.308 176.000 -0.017 0.000 0.984 410 Q CA 2.138 57.965 55.803 0.039 0.000 0.846 410 Q CB -0.101 28.694 28.738 0.094 0.000 0.902 410 Q HN 0.557 nan 8.270 nan 0.000 0.421 411 A N 0.297 123.107 122.820 -0.017 0.000 1.877 411 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 411 A C 2.295 179.848 177.584 -0.051 0.000 1.186 411 A CA 2.196 54.147 52.037 -0.144 0.000 0.620 411 A CB -1.307 17.718 19.000 0.042 0.000 0.822 411 A HN 0.687 nan 8.150 nan 0.000 0.443 412 T N -2.882 111.655 114.554 -0.028 0.000 2.708 412 T HA -0.170 4.180 4.350 -0.000 0.000 0.266 412 T C 1.838 176.535 174.700 -0.005 0.000 1.037 412 T CA 2.196 64.300 62.100 0.006 0.000 1.146 412 T CB -1.287 67.566 68.868 -0.025 0.000 0.865 412 T HN 0.322 nan 8.240 nan 0.000 0.435 413 T N 0.968 115.503 114.554 -0.032 0.000 2.665 413 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 413 T C 1.716 176.354 174.700 -0.104 0.000 1.035 413 T CA 2.071 64.143 62.100 -0.047 0.000 1.151 413 T CB -0.711 68.140 68.868 -0.029 0.000 0.862 413 T HN 0.808 nan 8.240 nan 0.000 0.438 414 H N -0.042 118.847 119.070 -0.302 0.000 2.353 414 H HA -0.009 4.547 4.556 -0.000 0.000 0.300 414 H C 1.768 176.795 175.328 -0.503 0.000 1.090 414 H CA 1.607 57.361 56.048 -0.491 0.000 1.327 414 H CB -0.403 28.808 29.762 -0.920 0.000 1.383 414 H HN 0.433 nan 8.280 nan 0.000 0.508 415 F N -0.341 119.489 119.950 -0.201 0.000 2.456 415 F HA 0.035 4.562 4.527 -0.000 0.000 0.298 415 F C 2.054 177.752 175.800 -0.170 0.000 1.104 415 F CA 0.219 58.110 58.000 -0.183 0.000 1.435 415 F CB 0.070 39.005 39.000 -0.110 0.000 1.078 415 F HN 0.124 nan 8.300 nan 0.000 0.546 416 L N -0.199 121.021 121.223 -0.006 0.000 2.362 416 L HA -0.207 4.133 4.340 -0.000 0.000 0.219 416 L C 2.053 178.869 176.870 -0.090 0.000 1.134 416 L CA 1.006 55.826 54.840 -0.034 0.000 0.807 416 L CB -0.548 41.496 42.059 -0.026 0.000 0.927 416 L HN 0.236 nan 8.230 nan 0.000 0.447 417 Q N -0.239 119.461 119.800 -0.166 0.000 2.291 417 Q HA -0.067 4.273 4.340 -0.000 0.000 0.205 417 Q C 0.266 176.164 176.000 -0.170 0.000 0.970 417 Q CA 0.817 56.507 55.803 -0.188 0.000 0.876 417 Q CB 0.072 28.639 28.738 -0.285 0.000 0.935 417 Q HN 0.324 nan 8.270 nan 0.000 0.455 418 K N 1.606 121.914 120.400 -0.152 0.000 2.098 418 K HA 0.338 4.657 4.320 -0.000 0.000 0.261 418 K C -2.415 174.110 176.600 -0.124 0.000 0.987 418 K CA -2.015 54.202 56.287 -0.116 0.000 0.916 418 K CB 0.606 33.083 32.500 -0.037 0.000 1.039 418 K HN -0.093 nan 8.250 nan 0.000 0.455 419 P HA 0.107 nan 4.420 nan 0.000 0.279 419 P C -0.149 177.053 177.300 -0.165 0.000 1.239 419 P CA -0.509 62.413 63.100 -0.297 0.000 0.789 419 P CB 0.643 31.919 31.700 -0.706 0.000 0.933 420 V N 5.142 124.992 119.914 -0.108 0.000 2.584 420 V HA -0.037 4.083 4.120 -0.000 0.000 0.303 420 V C -1.771 174.343 176.094 0.034 0.000 1.035 420 V CA -0.568 61.722 62.300 -0.017 0.000 1.172 420 V CB -0.935 30.895 31.823 0.013 0.000 0.896 420 V HN 0.589 nan 8.190 nan 0.000 0.486 421 P HA 0.153 nan 4.420 nan 0.000 0.264 421 P C 1.038 178.461 177.300 0.206 0.000 1.183 421 P CA 1.592 64.782 63.100 0.150 0.000 0.763 421 P CB 0.463 32.230 31.700 0.112 0.000 0.807 422 G N 1.848 110.828 108.800 0.301 0.000 2.253 422 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.251 422 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.251 422 G C 0.355 175.500 174.900 0.408 0.000 0.998 422 G CA -0.071 45.170 45.100 0.236 0.000 0.621 422 G HN 0.570 nan 8.290 nan 0.000 0.524 423 F N 0.000 119.963 119.950 0.021 0.000 2.286 423 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 423 F CA 0.000 58.011 58.000 0.019 0.000 1.383 423 F CB 0.000 39.007 39.000 0.012 0.000 1.145 423 F HN 0.000 nan 8.300 nan 0.000 0.574