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 1jcr_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 0.000 176.996 177.300 -0.506 0.000 1.155 17 P CA 0.000 62.822 63.100 -0.463 0.000 0.800 17 P CB 0.000 31.336 31.700 -0.607 0.000 0.726 18 V N 0.791 120.531 119.914 -0.291 0.000 2.490 18 V HA -0.113 4.007 4.120 -0.000 0.000 0.250 18 V C 1.801 177.823 176.094 -0.120 0.000 1.061 18 V CA 2.106 64.320 62.300 -0.144 0.000 1.064 18 V CB -0.585 31.237 31.823 -0.002 0.000 0.670 18 V HN 0.616 nan 8.190 nan 0.000 0.461 19 W N -0.557 120.743 121.300 -0.001 0.000 2.905 19 W HA 0.256 4.916 4.660 -0.000 0.000 0.251 19 W C 0.704 177.220 176.519 -0.005 0.000 1.305 19 W CA 0.120 57.465 57.345 0.000 0.000 1.465 19 W CB -1.210 28.251 29.460 0.002 0.000 1.122 19 W HN 0.269 nan 8.180 nan 0.000 0.659 20 S N 2.375 117.648 115.700 -0.713 0.000 2.488 20 S HA 0.083 4.553 4.470 -0.000 0.000 0.278 20 S C -0.201 174.264 174.600 -0.225 0.000 1.259 20 S CA 0.083 57.938 58.200 -0.576 0.000 1.061 20 S CB 1.066 63.794 63.200 -0.785 0.000 0.910 20 S HN 0.108 nan 8.310 nan 0.000 0.491 21 E N 4.904 125.044 120.200 -0.100 0.000 2.130 21 E HA 0.248 4.598 4.350 -0.000 0.000 0.284 21 E C -1.454 175.091 176.600 -0.091 0.000 1.018 21 E CA -2.172 54.181 56.400 -0.078 0.000 0.817 21 E CB 0.800 30.473 29.700 -0.045 0.000 1.078 21 E HN 0.236 nan 8.360 nan 0.000 0.396 22 P HA -0.070 nan 4.420 nan 0.000 0.225 22 P C -0.029 177.231 177.300 -0.065 0.000 1.156 22 P CA 0.569 63.620 63.100 -0.082 0.000 0.787 22 P CB 0.358 32.004 31.700 -0.089 0.000 0.802 23 L N 0.202 121.364 121.223 -0.101 0.000 2.278 23 L HA 0.160 4.500 4.340 -0.000 0.000 0.287 23 L C 1.913 178.703 176.870 -0.133 0.000 1.072 23 L CA -0.689 54.077 54.840 -0.123 0.000 0.819 23 L CB 0.383 42.323 42.059 -0.198 0.000 1.176 23 L HN -0.143 nan 8.230 nan 0.000 0.435 24 Y N 2.951 123.118 120.300 -0.222 0.000 2.151 24 Y HA -0.337 4.213 4.550 -0.000 0.000 0.284 24 Y C 2.378 177.979 175.900 -0.498 0.000 1.166 24 Y CA 2.228 60.182 58.100 -0.244 0.000 1.163 24 Y CB 0.258 38.613 38.460 -0.175 0.000 0.974 24 Y HN 0.673 nan 8.280 nan 0.000 0.511 25 S N 0.146 115.404 115.700 -0.736 0.000 2.481 25 S HA -0.063 4.407 4.470 -0.000 0.000 0.231 25 S C 1.664 175.489 174.600 -1.291 0.000 0.996 25 S CA 1.265 58.467 58.200 -1.663 0.000 0.942 25 S CB -0.259 61.692 63.200 -2.082 0.000 0.768 25 S HN 0.484 nan 8.310 nan 0.000 0.520 26 L N 0.298 121.115 121.223 -0.677 0.000 2.585 26 L HA 0.219 4.559 4.340 -0.000 0.000 0.226 26 L C 0.701 177.460 176.870 -0.185 0.000 1.113 26 L CA -0.023 54.608 54.840 -0.349 0.000 0.876 26 L CB -0.181 41.739 42.059 -0.231 0.000 1.072 26 L HN 0.078 nan 8.230 nan 0.000 0.468 27 R N 1.042 121.420 120.500 -0.204 0.000 2.643 27 R HA 0.037 4.376 4.340 -0.000 0.000 0.270 27 R C -1.369 174.922 176.300 -0.015 0.000 1.061 27 R CA -1.301 54.751 56.100 -0.080 0.000 1.107 27 R CB 0.082 30.326 30.300 -0.093 0.000 0.999 27 R HN -0.169 nan 8.270 nan 0.000 0.460 28 P HA -0.255 nan 4.420 nan 0.000 0.216 28 P C 0.867 178.193 177.300 0.044 0.000 1.153 28 P CA 1.314 64.445 63.100 0.051 0.000 0.858 28 P CB 0.132 31.866 31.700 0.055 0.000 0.789 29 E N -0.752 119.462 120.200 0.022 0.000 2.268 29 E HA -0.242 4.108 4.350 -0.000 0.000 0.195 29 E C 1.789 178.376 176.600 -0.023 0.000 0.995 29 E CA 1.199 57.600 56.400 0.001 0.000 0.836 29 E CB -1.351 28.346 29.700 -0.005 0.000 0.763 29 E HN 0.387 nan 8.360 nan 0.000 0.491 30 H N 1.585 120.572 119.070 -0.138 0.000 2.457 30 H HA 0.022 4.577 4.556 -0.000 0.000 0.297 30 H C 1.979 177.330 175.328 0.038 0.000 1.092 30 H CA 1.984 57.923 56.048 -0.182 0.000 1.309 30 H CB -0.126 29.431 29.762 -0.342 0.000 1.382 30 H HN 0.282 nan 8.280 nan 0.000 0.535 31 A N 0.606 123.485 122.820 0.098 0.000 2.070 31 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 31 A C 2.314 179.912 177.584 0.025 0.000 1.159 31 A CA 1.302 53.416 52.037 0.129 0.000 0.656 31 A CB -0.396 18.672 19.000 0.115 0.000 0.800 31 A HN 0.476 nan 8.150 nan 0.000 0.453 32 R N -0.303 120.185 120.500 -0.020 0.000 2.235 32 R HA -0.047 4.293 4.340 -0.000 0.000 0.213 32 R C 0.836 177.104 176.300 -0.052 0.000 1.059 32 R CA 0.881 56.961 56.100 -0.034 0.000 0.997 32 R CB -0.036 30.247 30.300 -0.029 0.000 0.884 32 R HN 0.460 nan 8.270 nan 0.000 0.462 33 E N 0.655 120.805 120.200 -0.083 0.000 2.511 33 E HA -0.016 4.334 4.350 -0.000 0.000 0.196 33 E C 0.266 176.864 176.600 -0.003 0.000 1.066 33 E CA 0.295 56.659 56.400 -0.059 0.000 0.871 33 E CB 0.059 29.642 29.700 -0.195 0.000 0.863 33 E HN 0.093 nan 8.360 nan 0.000 0.520 34 R N 0.840 121.280 120.500 -0.099 0.000 2.694 34 R HA 0.094 4.434 4.340 -0.000 0.000 0.268 34 R C 0.513 176.719 176.300 -0.156 0.000 1.061 34 R CA -0.666 55.264 56.100 -0.283 0.000 1.133 34 R CB 0.160 30.266 30.300 -0.323 0.000 1.020 34 R HN 0.064 nan 8.270 nan 0.000 0.475 35 L N 2.104 123.228 121.223 -0.166 0.000 2.525 35 L HA -0.063 4.277 4.340 -0.000 0.000 0.278 35 L C -0.083 176.743 176.870 -0.073 0.000 1.218 35 L CA 1.097 55.881 54.840 -0.093 0.000 0.878 35 L CB 0.277 42.284 42.059 -0.086 0.000 1.127 35 L HN 0.405 nan 8.230 nan 0.000 0.492 36 Q N 3.624 123.396 119.800 -0.047 0.000 2.425 36 Q HA 0.159 4.499 4.340 -0.000 0.000 0.254 36 Q C -0.151 175.834 176.000 -0.026 0.000 1.032 36 Q CA -0.356 55.426 55.803 -0.035 0.000 0.798 36 Q CB 0.949 29.672 28.738 -0.026 0.000 1.210 36 Q HN 0.735 nan 8.270 nan 0.000 0.491 37 D N 1.916 122.300 120.400 -0.026 0.000 2.336 37 D HA -0.111 4.529 4.640 -0.000 0.000 0.229 37 D C -0.307 175.986 176.300 -0.011 0.000 1.061 37 D CA 0.064 54.053 54.000 -0.018 0.000 0.875 37 D CB 0.221 41.010 40.800 -0.020 0.000 0.904 37 D HN 0.441 nan 8.370 nan 0.000 0.525 38 D N -0.146 120.248 120.400 -0.011 0.000 2.955 38 D HA -0.239 4.401 4.640 -0.000 0.000 0.226 38 D C -0.133 176.163 176.300 -0.006 0.000 1.178 38 D CA 1.161 55.157 54.000 -0.007 0.000 0.808 38 D CB -1.732 39.066 40.800 -0.003 0.000 1.099 38 D HN 0.294 nan 8.370 nan 0.000 0.421 39 S N -2.804 112.891 115.700 -0.009 0.000 3.476 39 S HA -0.228 4.242 4.470 -0.000 0.000 0.309 39 S C 0.248 174.846 174.600 -0.005 0.000 1.222 39 S CA 0.904 59.099 58.200 -0.007 0.000 0.922 39 S CB -0.895 62.301 63.200 -0.006 0.000 1.023 39 S HN 0.367 nan 8.310 nan 0.000 0.591 40 V N 1.999 121.911 119.914 -0.004 0.000 2.304 40 V HA 0.277 4.397 4.120 -0.000 0.000 0.278 40 V C 0.318 176.411 176.094 -0.001 0.000 1.018 40 V CA -0.521 61.779 62.300 -0.001 0.000 0.814 40 V CB 1.402 33.226 31.823 0.001 0.000 1.021 40 V HN 0.321 nan 8.190 nan 0.000 0.440 41 E N 3.294 123.493 120.200 -0.001 0.000 2.259 41 E HA 0.575 4.924 4.350 -0.000 0.000 0.281 41 E C 0.033 176.635 176.600 0.003 0.000 1.027 41 E CA -0.225 56.174 56.400 -0.001 0.000 0.838 41 E CB 1.797 31.495 29.700 -0.003 0.000 1.066 41 E HN 0.786 nan 8.360 nan 0.000 0.401 42 T N -2.053 112.504 114.554 0.005 0.000 2.865 42 T HA 0.200 4.550 4.350 -0.000 0.000 0.294 42 T C 1.051 175.757 174.700 0.010 0.000 1.119 42 T CA -0.833 61.273 62.100 0.009 0.000 1.007 42 T CB 1.058 69.934 68.868 0.013 0.000 1.225 42 T HN 0.100 nan 8.240 nan 0.000 0.515 43 V N 1.248 121.171 119.914 0.014 0.000 2.317 43 V HA -0.231 3.889 4.120 -0.000 0.000 0.251 43 V C 2.909 179.013 176.094 0.017 0.000 1.065 43 V CA 2.850 65.159 62.300 0.016 0.000 1.049 43 V CB -1.453 30.383 31.823 0.020 0.000 0.651 43 V HN 1.114 nan 8.190 nan 0.000 0.450 44 T N 0.424 114.990 114.554 0.020 0.000 2.652 44 T HA -0.210 4.140 4.350 -0.000 0.000 0.267 44 T C 2.117 176.824 174.700 0.012 0.000 1.039 44 T CA 2.101 64.214 62.100 0.021 0.000 1.153 44 T CB -0.435 68.448 68.868 0.026 0.000 0.863 44 T HN 0.767 nan 8.240 nan 0.000 0.428 45 S N 1.561 117.265 115.700 0.007 0.000 2.368 45 S HA -0.041 4.429 4.470 -0.000 0.000 0.225 45 S C 2.121 176.717 174.600 -0.007 0.000 1.030 45 S CA 0.863 59.062 58.200 -0.003 0.000 0.999 45 S CB -0.864 62.333 63.200 -0.006 0.000 0.844 45 S HN 0.488 nan 8.310 nan 0.000 0.459 46 I N 1.856 122.424 120.570 -0.003 0.000 2.163 46 I HA -0.163 4.007 4.170 -0.000 0.000 0.243 46 I C 2.926 179.041 176.117 -0.003 0.000 1.085 46 I CA 1.589 62.886 61.300 -0.004 0.000 1.347 46 I CB -0.406 37.594 38.000 0.000 0.000 1.044 46 I HN 0.274 nan 8.210 nan 0.000 0.408 47 E N 0.302 120.505 120.200 0.005 0.000 2.077 47 E HA -0.267 4.083 4.350 -0.000 0.000 0.193 47 E C 2.010 178.615 176.600 0.008 0.000 0.989 47 E CA 1.169 57.575 56.400 0.011 0.000 0.800 47 E CB -0.358 29.354 29.700 0.020 0.000 0.746 47 E HN 0.414 nan 8.360 nan 0.000 0.452 48 Q N 0.905 120.708 119.800 0.004 0.000 2.084 48 Q HA -0.056 4.284 4.340 -0.000 0.000 0.202 48 Q C 1.968 177.957 176.000 -0.019 0.000 0.978 48 Q CA 2.029 57.831 55.803 -0.000 0.000 0.844 48 Q CB -0.499 28.236 28.738 -0.006 0.000 0.898 48 Q HN 0.197 nan 8.270 nan 0.000 0.426 49 A N 0.569 123.370 122.820 -0.032 0.000 1.902 49 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 49 A C 2.019 179.576 177.584 -0.045 0.000 1.181 49 A CA 1.816 53.819 52.037 -0.056 0.000 0.623 49 A CB -0.514 18.456 19.000 -0.050 0.000 0.818 49 A HN 0.431 nan 8.150 nan 0.000 0.443 50 K N -0.502 119.885 120.400 -0.022 0.000 2.032 50 K HA -0.110 4.210 4.320 -0.000 0.000 0.209 50 K C 1.891 178.489 176.600 -0.005 0.000 1.048 50 K CA 1.543 57.823 56.287 -0.012 0.000 0.927 50 K CB -0.437 32.061 32.500 -0.003 0.000 0.712 50 K HN 0.314 nan 8.250 nan 0.000 0.441 51 V N 1.871 121.790 119.914 0.008 0.000 2.295 51 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 51 V C 2.007 178.129 176.094 0.048 0.000 1.049 51 V CA 1.810 64.129 62.300 0.032 0.000 1.024 51 V CB -0.431 31.423 31.823 0.051 0.000 0.648 51 V HN 0.345 nan 8.190 nan 0.000 0.447 52 E N -0.407 119.806 120.200 0.021 0.000 2.110 52 E HA -0.248 4.101 4.350 -0.000 0.000 0.193 52 E C 2.286 178.868 176.600 -0.029 0.000 0.988 52 E CA 1.164 57.563 56.400 -0.002 0.000 0.804 52 E CB -0.121 29.411 29.700 -0.281 0.000 0.745 52 E HN 0.625 nan 8.360 nan 0.000 0.458 53 E N 1.100 121.268 120.200 -0.054 0.000 2.072 53 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 53 E C 2.016 178.616 176.600 0.000 0.000 0.985 53 E CA 0.990 57.371 56.400 -0.032 0.000 0.801 53 E CB 0.135 29.816 29.700 -0.030 0.000 0.750 53 E HN -0.087 nan 8.360 nan 0.000 0.452 54 K N 1.072 121.470 120.400 -0.004 0.000 2.057 54 K HA -0.085 4.235 4.320 -0.000 0.000 0.207 54 K C 1.932 178.499 176.600 -0.055 0.000 1.049 54 K CA 1.157 57.432 56.287 -0.020 0.000 0.931 54 K CB -0.383 32.108 32.500 -0.015 0.000 0.714 54 K HN 0.165 nan 8.250 nan 0.000 0.440 55 I N 0.310 120.856 120.570 -0.039 0.000 2.439 55 I HA -0.186 3.984 4.170 -0.000 0.000 0.251 55 I C 2.259 178.177 176.117 -0.331 0.000 1.139 55 I CA 0.816 61.990 61.300 -0.210 0.000 1.438 55 I CB -0.170 37.757 38.000 -0.121 0.000 1.085 55 I HN 0.270 nan 8.210 nan 0.000 0.427 56 Q N 1.487 121.326 119.800 0.065 0.000 2.124 56 Q HA -0.230 4.110 4.340 -0.000 0.000 0.202 56 Q C 1.855 177.871 176.000 0.027 0.000 0.977 56 Q CA 1.759 57.698 55.803 0.227 0.000 0.850 56 Q CB -0.098 28.809 28.738 0.283 0.000 0.901 56 Q HN 0.469 nan 8.270 nan 0.000 0.429 57 E N -1.005 119.170 120.200 -0.042 0.000 2.077 57 E HA -0.154 4.195 4.350 -0.000 0.000 0.193 57 E C 1.965 178.471 176.600 -0.158 0.000 0.989 57 E CA 1.411 57.756 56.400 -0.091 0.000 0.800 57 E CB -0.025 29.644 29.700 -0.051 0.000 0.746 57 E HN 0.194 nan 8.360 nan 0.000 0.452 58 V N 0.883 120.685 119.914 -0.187 0.000 2.295 58 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 58 V C 1.987 178.045 176.094 -0.060 0.000 1.049 58 V CA 1.744 63.927 62.300 -0.195 0.000 1.024 58 V CB -0.594 31.080 31.823 -0.249 0.000 0.648 58 V HN 0.276 nan 8.190 nan 0.000 0.447 59 F N 0.439 120.363 119.950 -0.042 0.000 2.069 59 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 59 F C 2.651 178.422 175.800 -0.049 0.000 1.113 59 F CA 1.372 59.365 58.000 -0.011 0.000 1.214 59 F CB -0.396 38.574 39.000 -0.050 0.000 0.978 59 F HN 0.100 nan 8.300 nan 0.000 0.474 60 S N -0.133 115.555 115.700 -0.020 0.000 2.515 60 S HA -0.147 4.322 4.470 -0.000 0.000 0.231 60 S C 2.067 176.329 174.600 -0.564 0.000 0.987 60 S CA 0.905 58.864 58.200 -0.402 0.000 0.936 60 S CB -0.468 62.233 63.200 -0.832 0.000 0.766 60 S HN 0.469 nan 8.310 nan 0.000 0.528 61 S N 1.337 116.800 115.700 -0.395 0.000 2.374 61 S HA -0.240 4.230 4.470 -0.000 0.000 0.227 61 S C 1.589 175.984 174.600 -0.342 0.000 1.037 61 S CA 1.278 59.234 58.200 -0.408 0.000 1.024 61 S CB -0.931 61.984 63.200 -0.476 0.000 0.861 61 S HN 0.616 nan 8.310 nan 0.000 0.456 62 Y N 2.309 122.546 120.300 -0.106 0.000 2.181 62 Y HA -0.001 4.549 4.550 -0.000 0.000 0.288 62 Y C 2.734 178.600 175.900 -0.056 0.000 1.146 62 Y CA 1.400 59.465 58.100 -0.059 0.000 1.164 62 Y CB -0.401 38.036 38.460 -0.039 0.000 0.982 62 Y HN 0.297 nan 8.280 nan 0.000 0.515 63 K N 0.503 120.953 120.400 0.084 0.000 2.026 63 K HA -0.162 4.157 4.320 -0.000 0.000 0.208 63 K C 1.866 178.525 176.600 0.100 0.000 1.048 63 K CA 1.659 58.003 56.287 0.095 0.000 0.929 63 K CB -0.577 31.971 32.500 0.080 0.000 0.713 63 K HN 0.349 nan 8.250 nan 0.000 0.439 64 F N 0.991 120.843 119.950 -0.163 0.000 2.293 64 F HA -0.106 4.421 4.527 -0.000 0.000 0.300 64 F C 1.665 177.147 175.800 -0.530 0.000 1.086 64 F CA 0.002 57.834 58.000 -0.280 0.000 1.375 64 F CB -0.027 38.893 39.000 -0.133 0.000 1.045 64 F HN 0.178 nan 8.300 nan 0.000 0.516 65 N N -1.128 117.455 118.700 -0.195 0.000 2.373 65 N HA -0.064 4.676 4.740 -0.000 0.000 0.181 65 N C -0.228 175.197 175.510 -0.141 0.000 1.082 65 N CA 0.485 53.431 53.050 -0.172 0.000 0.885 65 N CB -0.346 38.109 38.487 -0.054 0.000 0.977 65 N HN 0.239 nan 8.380 nan 0.000 0.462 66 H N -0.491 118.655 119.070 0.127 0.000 2.819 66 H HA -0.132 4.424 4.556 -0.000 0.000 0.323 66 H C -0.524 174.859 175.328 0.092 0.000 1.243 66 H CA 0.515 56.626 56.048 0.104 0.000 1.163 66 H CB -2.184 27.626 29.762 0.079 0.000 1.493 66 H HN 0.213 nan 8.280 nan 0.000 0.434 67 L N -0.325 120.997 121.223 0.165 0.000 2.371 67 L HA 0.542 4.882 4.340 -0.000 0.000 0.262 67 L C 0.559 177.512 176.870 0.139 0.000 1.006 67 L CA -1.344 53.584 54.840 0.148 0.000 0.818 67 L CB 2.443 44.594 42.059 0.155 0.000 1.354 67 L HN -0.117 nan 8.230 nan 0.000 0.415 68 V N 2.962 122.926 119.914 0.083 0.000 2.455 68 V HA 0.190 4.310 4.120 -0.000 0.000 0.273 68 V C -1.781 174.289 176.094 -0.041 0.000 1.045 68 V CA -1.228 61.082 62.300 0.016 0.000 0.976 68 V CB 0.697 32.518 31.823 -0.003 0.000 0.993 68 V HN 0.589 nan 8.190 nan 0.000 0.475 69 P HA 0.231 nan 4.420 nan 0.000 0.268 69 P C -0.779 176.321 177.300 -0.333 0.000 1.204 69 P CA -0.266 62.453 63.100 -0.635 0.000 0.768 69 P CB 0.427 31.427 31.700 -1.168 0.000 0.842 70 R N 2.637 123.005 120.500 -0.219 0.000 2.502 70 R HA 0.514 4.854 4.340 -0.000 0.000 0.298 70 R C -0.808 175.457 176.300 -0.058 0.000 1.018 70 R CA -0.866 55.173 56.100 -0.101 0.000 0.899 70 R CB 0.817 31.098 30.300 -0.032 0.000 1.181 70 R HN 0.277 nan 8.270 nan 0.000 0.444 71 L N 4.068 125.250 121.223 -0.068 0.000 2.268 71 L HA 0.401 4.740 4.340 -0.000 0.000 0.289 71 L C -0.559 176.309 176.870 -0.003 0.000 1.064 71 L CA -1.003 53.824 54.840 -0.022 0.000 0.824 71 L CB 1.260 43.299 42.059 -0.033 0.000 1.202 71 L HN 0.437 nan 8.230 nan 0.000 0.433 72 V N 4.543 124.466 119.914 0.016 0.000 2.448 72 V HA 0.265 4.385 4.120 -0.000 0.000 0.295 72 V C -0.025 176.085 176.094 0.026 0.000 1.025 72 V CA -0.674 61.634 62.300 0.013 0.000 0.859 72 V CB 2.391 34.217 31.823 0.004 0.000 0.988 72 V HN 0.468 nan 8.190 nan 0.000 0.431 73 L N 5.305 126.549 121.223 0.035 0.000 2.325 73 L HA 0.348 4.688 4.340 -0.000 0.000 0.284 73 L C 0.799 177.683 176.870 0.024 0.000 1.089 73 L CA 0.394 55.282 54.840 0.080 0.000 0.836 73 L CB 0.793 42.908 42.059 0.093 0.000 1.184 73 L HN 0.604 nan 8.230 nan 0.000 0.444 74 Q N 5.354 125.110 119.800 -0.073 0.000 3.034 74 Q HA 0.015 4.355 4.340 -0.000 0.000 0.249 74 Q C 1.129 176.885 176.000 -0.406 0.000 1.282 74 Q CA 0.270 55.897 55.803 -0.294 0.000 0.918 74 Q CB -0.354 28.142 28.738 -0.404 0.000 1.772 74 Q HN 0.714 nan 8.270 nan 0.000 0.498 75 R N 0.368 120.811 120.500 -0.095 0.000 2.112 75 R HA -0.203 4.137 4.340 -0.000 0.000 0.242 75 R C 1.652 177.986 176.300 0.057 0.000 1.137 75 R CA 1.183 57.299 56.100 0.026 0.000 0.944 75 R CB 0.095 30.414 30.300 0.032 0.000 0.857 75 R HN 0.311 nan 8.270 nan 0.000 0.435 76 E N 0.799 121.010 120.200 0.018 0.000 2.085 76 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 76 E C 1.905 178.597 176.600 0.153 0.000 0.994 76 E CA 1.236 57.696 56.400 0.100 0.000 0.801 76 E CB 0.004 29.729 29.700 0.042 0.000 0.743 76 E HN 0.231 nan 8.360 nan 0.000 0.453 77 K N 0.068 120.467 120.400 -0.001 0.000 2.026 77 K HA -0.141 4.179 4.320 -0.000 0.000 0.208 77 K C 2.041 178.713 176.600 0.119 0.000 1.048 77 K CA 1.052 57.338 56.287 -0.001 0.000 0.929 77 K CB -0.600 31.801 32.500 -0.165 0.000 0.713 77 K HN 0.311 nan 8.250 nan 0.000 0.439 78 H N -0.118 119.048 119.070 0.161 0.000 2.387 78 H HA -0.109 4.447 4.556 -0.000 0.000 0.299 78 H C 1.992 177.471 175.328 0.251 0.000 1.090 78 H CA 1.009 57.170 56.048 0.189 0.000 1.332 78 H CB -0.676 29.165 29.762 0.133 0.000 1.386 78 H HN 0.163 nan 8.280 nan 0.000 0.516 79 F N 1.473 121.552 119.950 0.215 0.000 2.102 79 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 79 F C 2.849 178.745 175.800 0.159 0.000 1.105 79 F CA 1.816 59.906 58.000 0.150 0.000 1.239 79 F CB -0.518 38.540 39.000 0.098 0.000 0.991 79 F HN 0.249 nan 8.300 nan 0.000 0.474 80 H N -1.301 117.771 119.070 0.004 0.000 2.321 80 H HA -0.266 4.290 4.556 -0.000 0.000 0.300 80 H C 2.256 177.568 175.328 -0.027 0.000 1.087 80 H CA 2.175 58.167 56.048 -0.093 0.000 1.319 80 H CB -0.945 28.851 29.762 0.055 0.000 1.379 80 H HN 0.423 nan 8.280 nan 0.000 0.501 81 Y N 1.488 121.718 120.300 -0.116 0.000 2.114 81 Y HA -0.236 4.313 4.550 -0.000 0.000 0.282 81 Y C 2.574 178.489 175.900 0.024 0.000 1.165 81 Y CA 1.769 59.838 58.100 -0.052 0.000 1.148 81 Y CB -0.679 37.824 38.460 0.071 0.000 0.972 81 Y HN 0.152 nan 8.280 nan 0.000 0.504 82 L N 0.398 121.600 121.223 -0.035 0.000 2.005 82 L HA -0.215 4.125 4.340 -0.000 0.000 0.207 82 L C 2.635 179.295 176.870 -0.350 0.000 1.072 82 L CA 2.021 56.768 54.840 -0.155 0.000 0.744 82 L CB -0.780 41.246 42.059 -0.055 0.000 0.895 82 L HN 0.181 nan 8.230 nan 0.000 0.433 83 K N 0.398 120.501 120.400 -0.496 0.000 2.103 83 K HA -0.253 4.066 4.320 -0.000 0.000 0.207 83 K C 2.282 178.652 176.600 -0.383 0.000 1.048 83 K CA 1.638 57.625 56.287 -0.500 0.000 0.930 83 K CB -0.304 31.746 32.500 -0.750 0.000 0.716 83 K HN 0.143 nan 8.250 nan 0.000 0.444 84 R N 0.455 120.710 120.500 -0.409 0.000 2.062 84 R HA -0.039 4.301 4.340 -0.000 0.000 0.229 84 R C 2.542 178.658 176.300 -0.307 0.000 1.128 84 R CA 1.538 57.445 56.100 -0.323 0.000 0.960 84 R CB -0.689 29.399 30.300 -0.354 0.000 0.855 84 R HN 0.455 nan 8.270 nan 0.000 0.432 85 G N 1.264 109.840 108.800 -0.374 0.000 2.462 85 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 85 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 85 G C 1.254 175.790 174.900 -0.607 0.000 1.121 85 G CA 0.430 45.193 45.100 -0.562 0.000 0.758 85 G HN 0.286 nan 8.290 nan 0.000 0.559 86 L N -0.203 120.725 121.223 -0.491 0.000 2.275 86 L HA 0.146 4.486 4.340 -0.000 0.000 0.215 86 L C 2.481 179.156 176.870 -0.326 0.000 1.119 86 L CA 1.288 55.891 54.840 -0.396 0.000 0.790 86 L CB -0.115 41.762 42.059 -0.303 0.000 0.919 86 L HN 0.033 nan 8.230 nan 0.000 0.443 87 R N -1.328 118.998 120.500 -0.290 0.000 2.164 87 R HA 0.300 4.640 4.340 -0.000 0.000 0.198 87 R C 0.338 176.506 176.300 -0.219 0.000 1.028 87 R CA 0.254 56.215 56.100 -0.231 0.000 1.083 87 R CB 0.179 30.375 30.300 -0.173 0.000 1.026 87 R HN 0.394 nan 8.270 nan 0.000 0.514 88 Q N 0.060 119.732 119.800 -0.213 0.000 2.340 88 Q HA 0.513 4.853 4.340 -0.000 0.000 0.276 88 Q C -1.744 174.169 176.000 -0.145 0.000 1.048 88 Q CA -0.457 55.251 55.803 -0.157 0.000 0.832 88 Q CB 2.141 30.819 28.738 -0.101 0.000 1.373 88 Q HN -0.017 nan 8.270 nan 0.000 0.409 89 L N 1.255 122.423 121.223 -0.093 0.000 2.371 89 L HA 0.607 4.947 4.340 -0.000 0.000 0.262 89 L C 0.254 177.185 176.870 0.101 0.000 1.006 89 L CA -0.854 53.978 54.840 -0.014 0.000 0.818 89 L CB 2.219 44.223 42.059 -0.092 0.000 1.354 89 L HN 0.785 nan 8.230 nan 0.000 0.415 90 T N -3.625 111.052 114.554 0.206 0.000 2.788 90 T HA 0.086 4.436 4.350 -0.000 0.000 0.287 90 T C 0.729 175.545 174.700 0.192 0.000 1.007 90 T CA -0.274 61.930 62.100 0.173 0.000 1.005 90 T CB 0.724 69.693 68.868 0.167 0.000 1.012 90 T HN 0.734 nan 8.240 nan 0.000 0.530 91 D N -0.178 120.293 120.400 0.119 0.000 2.403 91 D HA 0.004 4.644 4.640 -0.000 0.000 0.227 91 D C 1.854 178.200 176.300 0.076 0.000 0.995 91 D CA 0.811 54.868 54.000 0.095 0.000 0.928 91 D CB -0.721 40.114 40.800 0.059 0.000 0.887 91 D HN 0.670 nan 8.370 nan 0.000 0.529 92 A N -0.285 122.580 122.820 0.076 0.000 2.070 92 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 92 A C 1.230 178.688 177.584 -0.210 0.000 1.159 92 A CA 0.615 52.615 52.037 -0.061 0.000 0.656 92 A CB -0.897 18.058 19.000 -0.075 0.000 0.800 92 A HN 0.350 nan 8.150 nan 0.000 0.453 93 Y N 0.274 120.633 120.300 0.098 0.000 2.495 93 Y HA 0.135 4.684 4.550 -0.000 0.000 0.293 93 Y C 1.813 177.767 175.900 0.091 0.000 1.186 93 Y CA 0.098 58.269 58.100 0.118 0.000 1.266 93 Y CB -0.089 38.458 38.460 0.146 0.000 1.101 93 Y HN 0.450 nan 8.280 nan 0.000 0.517 94 E N -0.361 119.909 120.200 0.117 0.000 2.153 94 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 94 E C 2.084 178.733 176.600 0.081 0.000 0.988 94 E CA 1.502 57.957 56.400 0.092 0.000 0.811 94 E CB -0.222 29.512 29.700 0.057 0.000 0.746 94 E HN 0.658 nan 8.360 nan 0.000 0.466 95 C N -0.336 118.997 119.300 0.055 0.000 2.449 95 C HA 0.054 4.514 4.460 -0.000 0.000 0.283 95 C C 1.762 176.809 174.990 0.094 0.000 1.453 95 C CA -0.050 58.998 59.018 0.049 0.000 1.779 95 C CB -1.012 26.734 27.740 0.009 0.000 1.779 95 C HN 0.226 nan 8.230 nan 0.000 0.546 96 L N 0.660 121.980 121.223 0.162 0.000 3.066 96 L HA 0.231 4.571 4.340 -0.000 0.000 0.265 96 L C 1.578 178.560 176.870 0.187 0.000 1.232 96 L CA 0.168 55.142 54.840 0.222 0.000 1.031 96 L CB -0.293 42.005 42.059 0.398 0.000 1.379 96 L HN 0.155 nan 8.230 nan 0.000 0.563 97 D N 1.415 121.898 120.400 0.138 0.000 2.309 97 D HA -0.121 4.518 4.640 -0.000 0.000 0.212 97 D C 1.657 178.015 176.300 0.096 0.000 0.968 97 D CA 0.991 55.058 54.000 0.112 0.000 0.882 97 D CB 0.479 41.330 40.800 0.084 0.000 0.918 97 D HN 0.284 nan 8.370 nan 0.000 0.503 98 A N -0.886 121.985 122.820 0.085 0.000 2.545 98 A HA 0.409 4.729 4.320 -0.000 0.000 0.277 98 A C 0.729 178.362 177.584 0.082 0.000 1.301 98 A CA -0.272 51.799 52.037 0.057 0.000 0.935 98 A CB 0.386 19.397 19.000 0.018 0.000 1.093 98 A HN 0.035 nan 8.150 nan 0.000 0.519 99 S N -0.803 114.981 115.700 0.140 0.000 3.025 99 S HA 0.165 4.635 4.470 -0.000 0.000 0.251 99 S C 1.098 175.810 174.600 0.187 0.000 0.954 99 S CA -0.497 57.835 58.200 0.219 0.000 1.092 99 S CB 0.066 63.397 63.200 0.218 0.000 1.079 99 S HN 0.606 nan 8.310 nan 0.000 0.543 100 R N 1.804 122.402 120.500 0.164 0.000 2.120 100 R HA -0.035 4.305 4.340 -0.000 0.000 0.234 100 R C -1.152 175.227 176.300 0.131 0.000 1.123 100 R CA 1.278 57.478 56.100 0.167 0.000 0.975 100 R CB -1.210 29.259 30.300 0.283 0.000 0.866 100 R HN 0.289 nan 8.270 nan 0.000 0.446 101 P HA -0.141 nan 4.420 nan 0.000 0.221 101 P C 0.316 177.488 177.300 -0.213 0.000 1.150 101 P CA 0.998 64.041 63.100 -0.096 0.000 0.800 101 P CB -0.035 31.513 31.700 -0.252 0.000 0.787 102 W N -0.777 120.330 121.300 -0.322 0.000 2.388 102 W HA -0.029 4.631 4.660 -0.000 0.000 0.294 102 W C 2.073 178.054 176.519 -0.897 0.000 1.212 102 W CA 0.439 57.338 57.345 -0.743 0.000 1.271 102 W CB -0.867 27.938 29.460 -1.091 0.000 1.126 102 W HN -0.137 nan 8.180 nan 0.000 0.535 103 L N -0.971 120.105 121.223 -0.245 0.000 2.046 103 L HA -0.280 4.060 4.340 -0.000 0.000 0.208 103 L C 2.370 179.160 176.870 -0.135 0.000 1.077 103 L CA 1.108 55.903 54.840 -0.075 0.000 0.747 103 L CB -0.997 41.009 42.059 -0.089 0.000 0.896 103 L HN 0.065 nan 8.230 nan 0.000 0.432 104 C N -1.311 117.913 119.300 -0.127 0.000 2.436 104 C HA -0.234 4.226 4.460 -0.000 0.000 0.277 104 C C 2.740 177.676 174.990 -0.090 0.000 1.241 104 C CA 0.721 59.670 59.018 -0.115 0.000 1.721 104 C CB -0.844 26.864 27.740 -0.052 0.000 2.043 104 C HN 0.568 nan 8.230 nan 0.000 0.472 105 Y N 0.663 120.839 120.300 -0.206 0.000 2.114 105 Y HA -0.191 4.358 4.550 -0.000 0.000 0.284 105 Y C 2.344 178.261 175.900 0.028 0.000 1.143 105 Y CA 1.497 59.495 58.100 -0.170 0.000 1.135 105 Y CB -0.760 37.510 38.460 -0.316 0.000 0.980 105 Y HN 0.374 nan 8.280 nan 0.000 0.499 106 W N 0.687 121.816 121.300 -0.286 0.000 2.321 106 W HA -0.247 4.413 4.660 -0.000 0.000 0.306 106 W C 2.470 178.806 176.519 -0.305 0.000 1.217 106 W CA 1.627 58.750 57.345 -0.369 0.000 1.257 106 W CB -1.274 28.185 29.460 -0.003 0.000 1.145 106 W HN 0.224 nan 8.180 nan 0.000 0.509 107 I N -0.370 120.193 120.570 -0.012 0.000 2.193 107 I HA -0.301 3.869 4.170 -0.000 0.000 0.240 107 I C 2.477 178.521 176.117 -0.122 0.000 1.084 107 I CA 1.098 62.327 61.300 -0.119 0.000 1.365 107 I CB -0.918 36.896 38.000 -0.310 0.000 1.064 107 I HN -0.189 nan 8.210 nan 0.000 0.410 108 L N -0.034 121.114 121.223 -0.125 0.000 2.042 108 L HA -0.278 4.062 4.340 -0.000 0.000 0.210 108 L C 2.761 179.593 176.870 -0.062 0.000 1.076 108 L CA 1.550 56.340 54.840 -0.084 0.000 0.749 108 L CB -0.893 41.128 42.059 -0.063 0.000 0.893 108 L HN 0.358 nan 8.230 nan 0.000 0.432 109 H N -0.333 118.587 119.070 -0.249 0.000 2.357 109 H HA -0.100 4.456 4.556 -0.000 0.000 0.301 109 H C 2.395 177.615 175.328 -0.181 0.000 1.082 109 H CA 1.646 57.543 56.048 -0.253 0.000 1.342 109 H CB 0.065 29.511 29.762 -0.527 0.000 1.389 109 H HN 0.111 nan 8.280 nan 0.000 0.511 110 S N 0.015 115.559 115.700 -0.261 0.000 2.368 110 S HA -0.114 4.356 4.470 -0.000 0.000 0.225 110 S C 2.316 176.839 174.600 -0.130 0.000 1.030 110 S CA 1.276 59.337 58.200 -0.231 0.000 0.999 110 S CB -0.299 62.840 63.200 -0.103 0.000 0.844 110 S HN 0.365 nan 8.310 nan 0.000 0.459 111 L N 1.264 122.449 121.223 -0.063 0.000 2.046 111 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 111 L C 2.752 179.615 176.870 -0.011 0.000 1.077 111 L CA 1.573 56.424 54.840 0.020 0.000 0.747 111 L CB -0.579 41.502 42.059 0.036 0.000 0.896 111 L HN 0.441 nan 8.230 nan 0.000 0.432 112 E N 0.870 121.035 120.200 -0.059 0.000 2.077 112 E HA -0.236 4.113 4.350 -0.000 0.000 0.193 112 E C 2.329 178.883 176.600 -0.076 0.000 0.989 112 E CA 1.201 57.573 56.400 -0.047 0.000 0.800 112 E CB -0.112 29.581 29.700 -0.012 0.000 0.746 112 E HN 0.475 nan 8.360 nan 0.000 0.452 113 L N 0.526 121.641 121.223 -0.179 0.000 2.083 113 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 113 L C 2.422 179.263 176.870 -0.049 0.000 1.083 113 L CA 0.805 55.557 54.840 -0.147 0.000 0.752 113 L CB -0.197 41.703 42.059 -0.265 0.000 0.899 113 L HN 0.250 nan 8.230 nan 0.000 0.433 114 L N -0.686 120.519 121.223 -0.030 0.000 2.599 114 L HA -0.035 4.305 4.340 -0.000 0.000 0.230 114 L C 0.446 177.319 176.870 0.005 0.000 1.141 114 L CA 0.029 54.879 54.840 0.018 0.000 0.877 114 L CB -0.347 41.756 42.059 0.074 0.000 1.009 114 L HN 0.256 nan 8.230 nan 0.000 0.447 115 D N 0.860 121.257 120.400 -0.005 0.000 2.800 115 D HA -0.172 4.468 4.640 -0.000 0.000 0.232 115 D C -0.007 176.279 176.300 -0.025 0.000 1.137 115 D CA 0.638 54.631 54.000 -0.012 0.000 0.718 115 D CB -0.349 40.444 40.800 -0.012 0.000 1.084 115 D HN 0.276 nan 8.370 nan 0.000 0.432 116 E N 0.907 121.106 120.200 -0.001 0.000 2.174 116 E HA 0.362 4.712 4.350 -0.000 0.000 0.282 116 E C -1.892 174.727 176.600 0.031 0.000 0.992 116 E CA -1.530 54.871 56.400 0.001 0.000 0.803 116 E CB 1.099 30.875 29.700 0.127 0.000 1.090 116 E HN 0.285 nan 8.360 nan 0.000 0.396 117 P HA 0.184 nan 4.420 nan 0.000 0.272 117 P C -0.291 177.030 177.300 0.035 0.000 1.223 117 P CA -0.354 62.754 63.100 0.013 0.000 0.784 117 P CB 0.868 32.566 31.700 -0.003 0.000 0.923 118 I N 3.501 124.076 120.570 0.009 0.000 2.306 118 I HA 0.266 4.436 4.170 -0.000 0.000 0.288 118 I C -1.982 174.129 176.117 -0.010 0.000 1.036 118 I CA -2.981 58.318 61.300 -0.001 0.000 1.221 118 I CB -0.211 37.774 38.000 -0.025 0.000 1.385 118 I HN 0.170 nan 8.210 nan 0.000 0.472 119 P HA 0.032 nan 4.420 nan 0.000 0.266 119 P C 0.765 178.050 177.300 -0.024 0.000 1.195 119 P CA -0.075 63.020 63.100 -0.008 0.000 0.768 119 P CB 0.739 32.438 31.700 -0.001 0.000 0.838 120 Q N 2.484 122.268 119.800 -0.026 0.000 2.234 120 Q HA -0.165 4.175 4.340 -0.000 0.000 0.206 120 Q C 1.435 177.415 176.000 -0.033 0.000 0.980 120 Q CA 1.748 57.530 55.803 -0.035 0.000 0.869 120 Q CB -0.702 28.016 28.738 -0.033 0.000 0.912 120 Q HN 0.399 nan 8.270 nan 0.000 0.436 121 I N -1.186 119.367 120.570 -0.028 0.000 2.202 121 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 121 I C 2.027 178.123 176.117 -0.035 0.000 1.091 121 I CA 0.775 62.059 61.300 -0.028 0.000 1.368 121 I CB -0.550 37.436 38.000 -0.024 0.000 1.058 121 I HN 0.041 nan 8.210 nan 0.000 0.410 122 V N 0.615 120.505 119.914 -0.040 0.000 2.261 122 V HA -0.309 3.810 4.120 -0.000 0.000 0.246 122 V C 2.683 178.746 176.094 -0.052 0.000 1.047 122 V CA 1.899 64.167 62.300 -0.053 0.000 1.015 122 V CB -1.434 30.355 31.823 -0.057 0.000 0.642 122 V HN 0.494 nan 8.190 nan 0.000 0.446 123 A N -0.670 122.119 122.820 -0.051 0.000 1.892 123 A HA -0.326 3.994 4.320 -0.000 0.000 0.218 123 A C 2.463 180.017 177.584 -0.051 0.000 1.188 123 A CA 2.900 54.902 52.037 -0.059 0.000 0.631 123 A CB -1.183 17.775 19.000 -0.069 0.000 0.822 123 A HN 0.474 nan 8.150 nan 0.000 0.447 124 T N -0.953 113.576 114.554 -0.042 0.000 2.788 124 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 124 T C 1.530 176.222 174.700 -0.013 0.000 1.044 124 T CA 1.797 63.879 62.100 -0.031 0.000 1.139 124 T CB -0.535 68.316 68.868 -0.027 0.000 0.867 124 T HN 0.473 nan 8.240 nan 0.000 0.454 125 D N 0.393 120.784 120.400 -0.015 0.000 2.144 125 D HA -0.031 4.609 4.640 -0.000 0.000 0.200 125 D C 2.183 178.504 176.300 0.036 0.000 0.978 125 D CA 0.641 54.641 54.000 0.000 0.000 0.833 125 D CB -0.420 40.362 40.800 -0.029 0.000 0.961 125 D HN 0.278 nan 8.370 nan 0.000 0.470 126 V N 0.359 120.281 119.914 0.012 0.000 2.358 126 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 126 V C 2.635 178.772 176.094 0.072 0.000 1.047 126 V CA 1.166 63.497 62.300 0.052 0.000 1.035 126 V CB -0.433 31.383 31.823 -0.012 0.000 0.658 126 V HN 0.299 nan 8.190 nan 0.000 0.452 127 C N -0.423 118.886 119.300 0.015 0.000 2.413 127 C HA -0.244 4.216 4.460 -0.000 0.000 0.277 127 C C 2.875 177.883 174.990 0.030 0.000 1.228 127 C CA 1.384 60.404 59.018 0.004 0.000 1.731 127 C CB -1.110 26.619 27.740 -0.019 0.000 2.042 127 C HN 0.598 nan 8.230 nan 0.000 0.468 128 Q N -0.716 119.110 119.800 0.043 0.000 2.124 128 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 128 Q C 1.973 178.018 176.000 0.074 0.000 0.977 128 Q CA 1.703 57.535 55.803 0.049 0.000 0.850 128 Q CB -0.348 28.418 28.738 0.047 0.000 0.901 128 Q HN 0.775 nan 8.270 nan 0.000 0.429 129 F N 0.874 120.810 119.950 -0.023 0.000 2.102 129 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 129 F C 1.565 177.366 175.800 0.001 0.000 1.105 129 F CA 1.240 59.227 58.000 -0.023 0.000 1.239 129 F CB -0.176 38.796 39.000 -0.047 0.000 0.991 129 F HN -0.032 nan 8.300 nan 0.000 0.474 130 L N 0.044 121.137 121.223 -0.218 0.000 2.191 130 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 130 L C 2.335 179.190 176.870 -0.025 0.000 1.103 130 L CA 1.421 56.120 54.840 -0.235 0.000 0.769 130 L CB -0.777 41.194 42.059 -0.146 0.000 0.908 130 L HN 0.227 nan 8.230 nan 0.000 0.438 131 E N 0.325 120.513 120.200 -0.021 0.000 2.077 131 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 131 E C 2.339 178.885 176.600 -0.089 0.000 0.989 131 E CA 0.999 57.394 56.400 -0.009 0.000 0.800 131 E CB -0.121 29.574 29.700 -0.008 0.000 0.746 131 E HN 0.476 nan 8.360 nan 0.000 0.452 132 L N 0.332 121.471 121.223 -0.140 0.000 2.131 132 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 132 L C 2.357 179.108 176.870 -0.199 0.000 1.092 132 L CA 0.624 55.373 54.840 -0.151 0.000 0.759 132 L CB -0.298 41.686 42.059 -0.125 0.000 0.903 132 L HN 0.310 nan 8.230 nan 0.000 0.435 133 C N -1.176 117.956 119.300 -0.281 0.000 2.514 133 C HA -0.038 4.422 4.460 -0.000 0.000 0.271 133 C C 1.551 176.468 174.990 -0.122 0.000 1.399 133 C CA -0.452 58.442 59.018 -0.207 0.000 1.765 133 C CB -0.798 26.786 27.740 -0.261 0.000 1.893 133 C HN 0.410 nan 8.230 nan 0.000 0.531 134 Q N 1.672 121.357 119.800 -0.191 0.000 2.311 134 Q HA 0.158 4.498 4.340 -0.000 0.000 0.272 134 Q C 0.318 176.101 176.000 -0.363 0.000 1.012 134 Q CA 0.141 55.618 55.803 -0.542 0.000 0.891 134 Q CB 0.614 28.946 28.738 -0.677 0.000 1.201 134 Q HN 0.475 nan 8.270 nan 0.000 0.391 135 S N 3.804 119.269 115.700 -0.393 0.000 2.580 135 S HA 0.244 4.714 4.470 -0.000 0.000 0.274 135 S C -1.820 172.655 174.600 -0.209 0.000 1.329 135 S CA -1.373 56.680 58.200 -0.246 0.000 1.036 135 S CB 0.751 63.798 63.200 -0.255 0.000 0.919 135 S HN 0.599 nan 8.310 nan 0.000 0.515 136 P HA 0.035 nan 4.420 nan 0.000 0.222 136 P C -0.039 177.211 177.300 -0.083 0.000 1.147 136 P CA 0.905 63.952 63.100 -0.089 0.000 0.790 136 P CB 0.106 31.779 31.700 -0.046 0.000 0.780 137 D N -0.773 119.572 120.400 -0.092 0.000 2.463 137 D HA 0.293 4.933 4.640 -0.000 0.000 0.224 137 D C 0.793 177.045 176.300 -0.080 0.000 1.174 137 D CA 0.284 54.251 54.000 -0.055 0.000 0.829 137 D CB 0.371 41.167 40.800 -0.007 0.000 0.993 137 D HN 0.049 nan 8.370 nan 0.000 0.497 138 G N 0.113 108.797 108.800 -0.194 0.000 2.692 138 G HA2 0.346 4.306 3.960 -0.000 0.000 0.686 138 G HA3 0.346 4.306 3.960 -0.000 0.000 0.686 138 G C 0.249 174.798 174.900 -0.585 0.000 1.243 138 G CA -0.459 44.492 45.100 -0.248 0.000 0.782 138 G HN 0.646 nan 8.290 nan 0.000 0.625 139 G N -0.764 107.713 108.800 -0.539 0.000 2.781 139 G HA2 0.360 4.320 3.960 -0.000 0.000 0.683 139 G HA3 0.360 4.320 3.960 -0.000 0.000 0.683 139 G C -0.474 174.037 174.900 -0.648 0.000 1.390 139 G CA 0.116 44.871 45.100 -0.576 0.000 0.850 139 G HN 1.772 nan 8.290 nan 0.000 0.557 140 F N 0.396 120.207 119.950 -0.233 0.000 2.546 140 F HA 0.725 5.252 4.527 -0.000 0.000 0.320 140 F C 1.127 176.853 175.800 -0.122 0.000 1.076 140 F CA 0.250 58.142 58.000 -0.181 0.000 0.928 140 F CB 2.116 41.010 39.000 -0.177 0.000 1.189 140 F HN 0.813 nan 8.300 nan 0.000 0.465 141 G N -0.029 108.805 108.800 0.057 0.000 2.613 141 G HA2 0.441 4.401 3.960 -0.000 0.000 0.303 141 G HA3 0.441 4.401 3.960 -0.000 0.000 0.303 141 G C 0.809 175.732 174.900 0.039 0.000 1.312 141 G CA -0.405 44.725 45.100 0.049 0.000 1.036 141 G HN 0.885 nan 8.290 nan 0.000 0.513 142 G N -1.814 107.004 108.800 0.030 0.000 2.744 142 G HA2 0.456 4.416 3.960 -0.000 0.000 0.211 142 G HA3 0.456 4.416 3.960 -0.000 0.000 0.211 142 G C 0.647 175.586 174.900 0.066 0.000 1.143 142 G CA 0.972 46.100 45.100 0.046 0.000 0.788 142 G HN 1.251 nan 8.290 nan 0.000 0.534 143 G N -1.323 107.491 108.800 0.024 0.000 2.451 143 G HA2 0.480 4.440 3.960 -0.000 0.000 0.292 143 G HA3 0.480 4.440 3.960 -0.000 0.000 0.292 143 G C -3.451 171.429 174.900 -0.033 0.000 1.427 143 G CA -0.969 44.161 45.100 0.050 0.000 0.792 143 G HN -0.107 nan 8.290 nan 0.000 0.498 144 P HA 0.331 nan 4.420 nan 0.000 0.264 144 P C 1.026 178.297 177.300 -0.047 0.000 1.193 144 P CA 1.966 65.033 63.100 -0.056 0.000 0.763 144 P CB 1.043 32.740 31.700 -0.005 0.000 0.810 145 G N 1.762 110.521 108.800 -0.068 0.000 2.199 145 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.254 145 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.254 145 G C 0.106 174.921 174.900 -0.142 0.000 0.982 145 G CA -0.285 44.764 45.100 -0.085 0.000 0.632 145 G HN 0.565 nan 8.290 nan 0.000 0.529 146 Q N -0.442 119.288 119.800 -0.117 0.000 2.260 146 Q HA 0.542 4.882 4.340 -0.000 0.000 0.242 146 Q C -0.018 175.936 176.000 -0.076 0.000 0.932 146 Q CA -0.682 55.030 55.803 -0.152 0.000 0.891 146 Q CB 0.909 29.605 28.738 -0.069 0.000 1.222 146 Q HN 0.489 nan 8.270 nan 0.000 0.453 147 Y N 1.937 122.241 120.300 0.006 0.000 2.457 147 Y HA 0.050 4.600 4.550 -0.000 0.000 0.341 147 Y C -1.551 174.354 175.900 0.008 0.000 1.240 147 Y CA -1.822 56.286 58.100 0.014 0.000 1.437 147 Y CB 0.088 38.591 38.460 0.071 0.000 1.328 147 Y HN 0.437 nan 8.280 nan 0.000 0.588 148 P HA -0.022 nan 4.420 nan 0.000 0.272 148 P C -1.033 176.412 177.300 0.241 0.000 1.223 148 P CA 0.517 63.589 63.100 -0.048 0.000 0.784 148 P CB 1.058 32.393 31.700 -0.608 0.000 0.923 149 H N 1.779 120.951 119.070 0.171 0.000 3.029 149 H HA 0.185 4.741 4.556 -0.000 0.000 0.358 149 H C 0.728 176.245 175.328 0.315 0.000 1.129 149 H CA -0.558 55.669 56.048 0.298 0.000 1.230 149 H CB 1.490 31.345 29.762 0.155 0.000 1.827 149 H HN 0.205 nan 8.280 nan 0.000 0.530 150 L N 2.797 124.251 121.223 0.384 0.000 2.127 150 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 150 L C 2.470 179.578 176.870 0.397 0.000 1.089 150 L CA 1.533 56.577 54.840 0.340 0.000 0.757 150 L CB -0.421 41.732 42.059 0.156 0.000 0.899 150 L HN 0.664 nan 8.230 nan 0.000 0.434 151 A N 0.825 124.046 122.820 0.669 0.000 1.841 151 A HA -0.088 4.232 4.320 -0.000 0.000 0.214 151 A C -0.120 177.598 177.584 0.225 0.000 1.195 151 A CA 1.481 53.891 52.037 0.623 0.000 0.611 151 A CB -1.791 17.708 19.000 0.832 0.000 0.835 151 A HN 0.281 nan 8.150 nan 0.000 0.443 152 P HA -0.070 nan 4.420 nan 0.000 0.223 152 P C 1.186 178.363 177.300 -0.205 0.000 1.151 152 P CA 1.463 64.453 63.100 -0.183 0.000 0.787 152 P CB -0.286 31.419 31.700 0.008 0.000 0.788 153 T N -0.700 113.875 114.554 0.036 0.000 2.777 153 T HA -0.177 4.173 4.350 -0.000 0.000 0.266 153 T C 1.706 176.328 174.700 -0.129 0.000 1.040 153 T CA 1.172 63.330 62.100 0.096 0.000 1.141 153 T CB -1.051 67.976 68.868 0.265 0.000 0.868 153 T HN 0.102 nan 8.240 nan 0.000 0.444 154 Y N 2.179 122.325 120.300 -0.256 0.000 2.145 154 Y HA -0.039 4.511 4.550 -0.000 0.000 0.286 154 Y C 2.483 178.004 175.900 -0.632 0.000 1.145 154 Y CA 1.071 58.949 58.100 -0.370 0.000 1.148 154 Y CB -0.714 37.576 38.460 -0.283 0.000 0.981 154 Y HN 0.158 nan 8.280 nan 0.000 0.507 155 A N 0.935 123.172 122.820 -0.971 0.000 1.877 155 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 155 A C 2.448 179.534 177.584 -0.831 0.000 1.186 155 A CA 2.045 53.340 52.037 -1.236 0.000 0.620 155 A CB -1.592 16.479 19.000 -1.548 0.000 0.822 155 A HN 0.673 nan 8.150 nan 0.000 0.443 156 A N -0.569 121.795 122.820 -0.761 0.000 1.877 156 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 156 A C 2.251 179.393 177.584 -0.738 0.000 1.186 156 A CA 1.878 53.416 52.037 -0.832 0.000 0.620 156 A CB -1.044 17.079 19.000 -1.462 0.000 0.822 156 A HN 0.405 nan 8.150 nan 0.000 0.443 157 V N 0.809 120.315 119.914 -0.679 0.000 2.287 157 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 157 V C 2.397 178.257 176.094 -0.390 0.000 1.053 157 V CA 2.289 64.326 62.300 -0.438 0.000 1.027 157 V CB -1.053 30.576 31.823 -0.323 0.000 0.646 157 V HN 0.555 nan 8.190 nan 0.000 0.447 158 N N 0.335 118.697 118.700 -0.563 0.000 2.069 158 N HA -0.137 4.603 4.740 -0.000 0.000 0.191 158 N C 1.858 177.237 175.510 -0.218 0.000 1.031 158 N CA 1.739 54.503 53.050 -0.478 0.000 0.852 158 N CB -0.595 37.346 38.487 -0.911 0.000 1.018 158 N HN 0.483 nan 8.380 nan 0.000 0.423 159 A N 0.907 123.596 122.820 -0.219 0.000 1.883 159 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 159 A C 2.349 179.862 177.584 -0.119 0.000 1.186 159 A CA 1.075 53.054 52.037 -0.097 0.000 0.624 159 A CB -0.845 18.075 19.000 -0.134 0.000 0.822 159 A HN 0.273 nan 8.150 nan 0.000 0.444 160 L N -0.890 120.232 121.223 -0.168 0.000 2.131 160 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 160 L C 2.627 179.445 176.870 -0.087 0.000 1.092 160 L CA 1.160 55.926 54.840 -0.123 0.000 0.759 160 L CB -0.655 41.348 42.059 -0.094 0.000 0.903 160 L HN 0.495 nan 8.230 nan 0.000 0.435 161 C N -0.317 118.966 119.300 -0.028 0.000 2.450 161 C HA -0.059 4.401 4.460 -0.000 0.000 0.279 161 C C 2.707 177.697 174.990 0.001 0.000 1.335 161 C CA 0.162 59.219 59.018 0.066 0.000 1.749 161 C CB -0.526 27.238 27.740 0.040 0.000 1.963 161 C HN 0.428 nan 8.230 nan 0.000 0.501 162 I N 0.716 121.273 120.570 -0.021 0.000 2.315 162 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 162 I C 2.250 178.338 176.117 -0.049 0.000 1.117 162 I CA 1.665 62.965 61.300 -0.000 0.000 1.404 162 I CB -0.306 37.714 38.000 0.034 0.000 1.071 162 I HN 0.308 nan 8.210 nan 0.000 0.419 163 I N 0.501 121.012 120.570 -0.098 0.000 2.202 163 I HA -0.173 3.997 4.170 -0.000 0.000 0.242 163 I C 1.921 177.905 176.117 -0.221 0.000 1.091 163 I CA 1.325 62.541 61.300 -0.142 0.000 1.368 163 I CB -0.773 37.135 38.000 -0.154 0.000 1.058 163 I HN 0.440 nan 8.210 nan 0.000 0.410 164 G N 1.507 110.097 108.800 -0.351 0.000 2.187 164 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.261 164 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.261 164 G C 0.477 174.879 174.900 -0.831 0.000 1.000 164 G CA 0.663 45.408 45.100 -0.592 0.000 0.718 164 G HN 0.529 nan 8.290 nan 0.000 0.519 165 T N -3.298 110.840 114.554 -0.694 0.000 2.881 165 T HA 0.632 4.982 4.350 -0.000 0.000 0.278 165 T C 1.135 175.467 174.700 -0.615 0.000 0.982 165 T CA 0.466 62.272 62.100 -0.491 0.000 0.989 165 T CB 1.860 70.564 68.868 -0.275 0.000 1.058 165 T HN 0.116 nan 8.240 nan 0.000 0.529 166 E N 0.091 120.112 120.200 -0.299 0.000 2.110 166 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 166 E C 2.002 178.529 176.600 -0.122 0.000 0.988 166 E CA 1.771 58.074 56.400 -0.162 0.000 0.804 166 E CB -0.267 29.398 29.700 -0.058 0.000 0.745 166 E HN 0.854 nan 8.360 nan 0.000 0.458 167 E N -0.381 119.742 120.200 -0.129 0.000 2.038 167 E HA -0.253 4.097 4.350 -0.000 0.000 0.195 167 E C 1.975 178.526 176.600 -0.081 0.000 1.000 167 E CA 1.215 57.569 56.400 -0.077 0.000 0.803 167 E CB -0.289 29.366 29.700 -0.075 0.000 0.750 167 E HN 0.324 nan 8.360 nan 0.000 0.448 168 A N 0.526 123.234 122.820 -0.186 0.000 1.873 168 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 168 A C 2.065 179.631 177.584 -0.031 0.000 1.193 168 A CA 1.818 53.749 52.037 -0.176 0.000 0.629 168 A CB -1.332 17.467 19.000 -0.335 0.000 0.826 168 A HN 0.542 nan 8.150 nan 0.000 0.447 169 Y N -0.002 120.271 120.300 -0.045 0.000 2.207 169 Y HA -0.222 4.328 4.550 -0.000 0.000 0.287 169 Y C 2.401 178.411 175.900 0.183 0.000 1.156 169 Y CA 0.839 58.976 58.100 0.062 0.000 1.182 169 Y CB -0.281 37.924 38.460 -0.424 0.000 0.979 169 Y HN 0.308 nan 8.280 nan 0.000 0.521 170 N N -0.097 118.740 118.700 0.227 0.000 2.453 170 N HA -0.117 4.622 4.740 -0.000 0.000 0.183 170 N C 1.743 177.349 175.510 0.160 0.000 1.041 170 N CA 0.681 53.844 53.050 0.188 0.000 0.900 170 N CB -0.355 38.197 38.487 0.108 0.000 0.961 170 N HN 0.173 nan 8.380 nan 0.000 0.443 171 V N 1.408 121.412 119.914 0.151 0.000 2.407 171 V HA -0.117 4.003 4.120 -0.000 0.000 0.248 171 V C 1.118 177.315 176.094 0.172 0.000 1.055 171 V CA 0.769 63.151 62.300 0.137 0.000 1.049 171 V CB -0.285 31.619 31.823 0.135 0.000 0.662 171 V HN 0.208 nan 8.190 nan 0.000 0.455 172 I N 2.289 123.001 120.570 0.236 0.000 2.581 172 I HA 0.013 4.183 4.170 -0.000 0.000 0.285 172 I C 0.572 176.755 176.117 0.110 0.000 1.129 172 I CA 0.209 61.635 61.300 0.210 0.000 1.397 172 I CB -0.169 37.949 38.000 0.197 0.000 1.399 172 I HN 0.169 nan 8.210 nan 0.000 0.537 173 N N 7.234 125.940 118.700 0.011 0.000 2.555 173 N HA 0.110 4.850 4.740 -0.000 0.000 0.244 173 N C 0.999 176.507 175.510 -0.004 0.000 1.114 173 N CA 0.008 53.054 53.050 -0.005 0.000 0.963 173 N CB 0.449 38.898 38.487 -0.065 0.000 1.276 173 N HN 0.449 nan 8.380 nan 0.000 0.510 174 R N 1.966 122.483 120.500 0.029 0.000 2.105 174 R HA -0.145 4.195 4.340 -0.000 0.000 0.239 174 R C 0.942 177.254 176.300 0.020 0.000 1.135 174 R CA 1.540 57.646 56.100 0.010 0.000 0.967 174 R CB 0.158 30.472 30.300 0.024 0.000 0.861 174 R HN 0.491 nan 8.270 nan 0.000 0.442 175 E N 0.599 120.820 120.200 0.035 0.000 2.051 175 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 175 E C 1.855 178.482 176.600 0.044 0.000 0.991 175 E CA 1.051 57.479 56.400 0.047 0.000 0.799 175 E CB 0.032 29.761 29.700 0.048 0.000 0.748 175 E HN 0.029 nan 8.360 nan 0.000 0.449 176 K N 0.315 120.727 120.400 0.020 0.000 2.097 176 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 176 K C 2.103 178.729 176.600 0.044 0.000 1.049 176 K CA 0.501 56.798 56.287 0.016 0.000 0.933 176 K CB -0.501 31.978 32.500 -0.035 0.000 0.717 176 K HN 0.127 nan 8.250 nan 0.000 0.442 177 L N 1.318 122.552 121.223 0.019 0.000 2.012 177 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 177 L C 2.164 179.089 176.870 0.092 0.000 1.073 177 L CA 1.439 56.312 54.840 0.055 0.000 0.748 177 L CB -0.848 41.220 42.059 0.015 0.000 0.891 177 L HN 0.084 nan 8.230 nan 0.000 0.431 178 L N -0.476 120.775 121.223 0.047 0.000 2.046 178 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 178 L C 2.501 179.432 176.870 0.102 0.000 1.077 178 L CA 1.805 56.656 54.840 0.018 0.000 0.747 178 L CB -0.809 41.273 42.059 0.039 0.000 0.896 178 L HN 0.460 nan 8.230 nan 0.000 0.432 179 Q N -1.841 118.053 119.800 0.155 0.000 2.061 179 Q HA -0.282 4.058 4.340 -0.000 0.000 0.204 179 Q C 2.186 178.294 176.000 0.181 0.000 0.984 179 Q CA 2.177 58.092 55.803 0.187 0.000 0.846 179 Q CB -0.506 28.304 28.738 0.120 0.000 0.902 179 Q HN 0.614 nan 8.270 nan 0.000 0.421 180 Y N 1.423 121.743 120.300 0.034 0.000 2.097 180 Y HA -0.251 4.299 4.550 -0.000 0.000 0.282 180 Y C 1.849 177.773 175.900 0.041 0.000 1.152 180 Y CA 1.488 59.600 58.100 0.021 0.000 1.136 180 Y CB -0.405 38.050 38.460 -0.007 0.000 0.975 180 Y HN 0.028 nan 8.280 nan 0.000 0.498 181 L N -1.431 119.736 121.223 -0.094 0.000 2.042 181 L HA -0.305 4.035 4.340 -0.000 0.000 0.210 181 L C 2.302 179.139 176.870 -0.055 0.000 1.076 181 L CA 1.841 56.586 54.840 -0.159 0.000 0.749 181 L CB -1.016 40.931 42.059 -0.187 0.000 0.893 181 L HN 0.278 nan 8.230 nan 0.000 0.432 182 Y N 0.351 120.618 120.300 -0.056 0.000 2.242 182 Y HA -0.261 4.289 4.550 -0.000 0.000 0.291 182 Y C 3.084 178.905 175.900 -0.133 0.000 1.137 182 Y CA 1.317 59.361 58.100 -0.093 0.000 1.181 182 Y CB -0.113 38.298 38.460 -0.081 0.000 0.989 182 Y HN 0.303 nan 8.280 nan 0.000 0.527 183 S N -0.243 115.474 115.700 0.028 0.000 2.474 183 S HA -0.125 4.345 4.470 -0.000 0.000 0.235 183 S C 1.492 176.014 174.600 -0.129 0.000 0.997 183 S CA 1.029 59.197 58.200 -0.053 0.000 0.949 183 S CB -0.611 62.566 63.200 -0.038 0.000 0.766 183 S HN 0.496 nan 8.310 nan 0.000 0.517 184 L N -0.389 120.733 121.223 -0.167 0.000 2.463 184 L HA 0.345 4.685 4.340 -0.000 0.000 0.219 184 L C 0.971 177.728 176.870 -0.189 0.000 1.088 184 L CA -0.221 54.526 54.840 -0.155 0.000 0.849 184 L CB -0.200 41.764 42.059 -0.159 0.000 1.012 184 L HN 0.113 nan 8.230 nan 0.000 0.468 185 K N 1.632 121.839 120.400 -0.322 0.000 2.489 185 K HA 0.018 4.338 4.320 -0.000 0.000 0.278 185 K C -0.235 176.067 176.600 -0.495 0.000 1.000 185 K CA 0.538 56.350 56.287 -0.792 0.000 1.012 185 K CB 0.427 32.514 32.500 -0.689 0.000 0.903 185 K HN -0.087 nan 8.250 nan 0.000 0.485 186 Q N 4.747 124.217 119.800 -0.551 0.000 2.248 186 Q HA 0.293 4.633 4.340 -0.000 0.000 0.263 186 Q C -1.775 174.053 176.000 -0.288 0.000 1.007 186 Q CA -2.179 53.413 55.803 -0.352 0.000 0.877 186 Q CB 1.092 29.622 28.738 -0.347 0.000 1.315 186 Q HN 0.486 nan 8.270 nan 0.000 0.454 187 P HA -0.149 nan 4.420 nan 0.000 0.220 187 P C 0.340 177.582 177.300 -0.098 0.000 1.148 187 P CA 1.236 64.260 63.100 -0.127 0.000 0.803 187 P CB 0.279 31.926 31.700 -0.088 0.000 0.782 188 D N -1.434 118.902 120.400 -0.106 0.000 2.336 188 D HA 0.091 4.730 4.640 -0.000 0.000 0.229 188 D C 1.472 177.764 176.300 -0.013 0.000 1.061 188 D CA 0.588 54.578 54.000 -0.016 0.000 0.875 188 D CB -0.689 40.149 40.800 0.063 0.000 0.904 188 D HN 0.271 nan 8.370 nan 0.000 0.525 189 G N -0.109 108.602 108.800 -0.149 0.000 2.232 189 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.226 189 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.226 189 G C 0.520 175.243 174.900 -0.295 0.000 0.996 189 G CA 0.317 45.348 45.100 -0.116 0.000 0.626 189 G HN 0.808 nan 8.290 nan 0.000 0.509 190 S N -0.255 115.044 115.700 -0.669 0.000 2.661 190 S HA 0.819 5.288 4.470 -0.000 0.000 0.265 190 S C -0.301 173.942 174.600 -0.595 0.000 1.225 190 S CA -0.354 57.308 58.200 -0.897 0.000 0.986 190 S CB 1.422 63.578 63.200 -1.739 0.000 1.008 190 S HN 0.580 nan 8.310 nan 0.000 0.565 191 F N -0.577 119.108 119.950 -0.440 0.000 2.576 191 F HA 0.534 5.061 4.527 -0.000 0.000 0.313 191 F C -0.056 175.584 175.800 -0.266 0.000 1.078 191 F CA -1.047 56.782 58.000 -0.284 0.000 0.921 191 F CB 1.502 40.389 39.000 -0.189 0.000 1.232 191 F HN 0.454 nan 8.300 nan 0.000 0.459 192 L N 3.050 124.242 121.223 -0.052 0.000 2.453 192 L HA 0.196 4.535 4.340 -0.000 0.000 0.261 192 L C 1.240 178.064 176.870 -0.076 0.000 1.179 192 L CA -0.679 54.095 54.840 -0.110 0.000 0.813 192 L CB 0.502 42.461 42.059 -0.166 0.000 1.110 192 L HN 0.659 nan 8.230 nan 0.000 0.466 193 M N 0.105 119.646 119.600 -0.098 0.000 2.349 193 M HA 0.019 4.499 4.480 -0.000 0.000 0.266 193 M C 0.345 176.546 176.300 -0.164 0.000 1.076 193 M CA 1.191 56.416 55.300 -0.123 0.000 1.126 193 M CB -0.950 31.590 32.600 -0.100 0.000 1.392 193 M HN 0.793 nan 8.290 nan 0.000 0.440 194 H N -4.937 114.014 119.070 -0.197 0.000 2.950 194 H HA 0.458 5.014 4.556 -0.000 0.000 0.307 194 H C -0.940 174.378 175.328 -0.018 0.000 1.403 194 H CA -1.214 54.805 56.048 -0.048 0.000 1.145 194 H CB 0.586 30.350 29.762 0.002 0.000 1.844 194 H HN -0.259 nan 8.280 nan 0.000 0.515 195 V N 1.764 121.711 119.914 0.055 0.000 2.509 195 V HA 0.247 4.366 4.120 -0.000 0.000 0.297 195 V C 1.540 177.544 176.094 -0.151 0.000 1.014 195 V CA 1.816 64.082 62.300 -0.057 0.000 1.127 195 V CB 0.104 31.923 31.823 -0.007 0.000 0.925 195 V HN 1.360 nan 8.190 nan 0.000 0.480 196 G N 3.686 112.370 108.800 -0.193 0.000 2.153 196 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.252 196 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.252 196 G C 0.480 175.193 174.900 -0.313 0.000 0.994 196 G CA 0.145 45.142 45.100 -0.171 0.000 0.698 196 G HN 1.321 nan 8.290 nan 0.000 0.521 197 G N -0.669 107.753 108.800 -0.631 0.000 2.613 197 G HA2 0.678 4.638 3.960 -0.000 0.000 0.303 197 G HA3 0.678 4.638 3.960 -0.000 0.000 0.303 197 G C 0.249 174.991 174.900 -0.264 0.000 1.312 197 G CA 0.183 44.840 45.100 -0.737 0.000 1.036 197 G HN 0.654 nan 8.290 nan 0.000 0.513 198 E N -0.955 119.187 120.200 -0.097 0.000 2.371 198 E HA 0.337 4.687 4.350 -0.000 0.000 0.257 198 E C -0.984 175.597 176.600 -0.031 0.000 1.134 198 E CA -0.389 55.999 56.400 -0.019 0.000 0.919 198 E CB 1.444 31.182 29.700 0.063 0.000 1.025 198 E HN 0.085 nan 8.360 nan 0.000 0.438 199 V N 1.940 121.841 119.914 -0.021 0.000 2.540 199 V HA 0.401 4.521 4.120 -0.000 0.000 0.302 199 V C -0.734 175.377 176.094 0.029 0.000 1.035 199 V CA -0.291 61.981 62.300 -0.047 0.000 0.873 199 V CB 1.283 33.036 31.823 -0.117 0.000 0.992 199 V HN 0.949 nan 8.190 nan 0.000 0.428 200 D N 2.429 122.863 120.400 0.057 0.000 2.710 200 D HA 0.126 4.765 4.640 -0.000 0.000 0.276 200 D C 0.217 176.661 176.300 0.239 0.000 1.267 200 D CA -0.581 53.513 54.000 0.158 0.000 0.772 200 D CB 1.648 42.451 40.800 0.005 0.000 1.299 200 D HN 0.124 nan 8.370 nan 0.000 0.421 201 V N 0.585 120.687 119.914 0.314 0.000 2.828 201 V HA -0.207 3.913 4.120 -0.000 0.000 0.260 201 V C 2.044 178.324 176.094 0.310 0.000 1.101 201 V CA 1.945 64.477 62.300 0.388 0.000 1.123 201 V CB -0.673 31.298 31.823 0.246 0.000 0.704 201 V HN 0.565 nan 8.190 nan 0.000 0.493 202 R N 0.502 121.191 120.500 0.315 0.000 2.105 202 R HA -0.149 4.191 4.340 -0.000 0.000 0.239 202 R C 2.588 179.023 176.300 0.225 0.000 1.135 202 R CA 1.728 58.005 56.100 0.294 0.000 0.967 202 R CB -0.557 29.917 30.300 0.290 0.000 0.861 202 R HN 0.781 nan 8.270 nan 0.000 0.442 203 S N 0.724 116.520 115.700 0.161 0.000 2.368 203 S HA -0.132 4.338 4.470 -0.000 0.000 0.225 203 S C 2.255 176.836 174.600 -0.032 0.000 1.030 203 S CA 1.001 59.238 58.200 0.062 0.000 0.999 203 S CB -0.283 62.947 63.200 0.050 0.000 0.844 203 S HN 0.373 nan 8.310 nan 0.000 0.459 204 A N 1.131 123.997 122.820 0.076 0.000 1.865 204 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 204 A C 2.130 179.724 177.584 0.016 0.000 1.191 204 A CA 1.724 53.807 52.037 0.076 0.000 0.623 204 A CB -1.412 17.737 19.000 0.248 0.000 0.826 204 A HN 0.695 nan 8.150 nan 0.000 0.444 205 Y N 0.281 120.567 120.300 -0.023 0.000 2.145 205 Y HA -0.262 4.288 4.550 -0.000 0.000 0.286 205 Y C 2.578 178.449 175.900 -0.047 0.000 1.145 205 Y CA 1.365 59.435 58.100 -0.050 0.000 1.148 205 Y CB -0.932 37.524 38.460 -0.007 0.000 0.981 205 Y HN 0.385 nan 8.280 nan 0.000 0.507 206 C N 0.535 119.715 119.300 -0.201 0.000 2.413 206 C HA -0.166 4.294 4.460 -0.000 0.000 0.276 206 C C 3.093 177.989 174.990 -0.156 0.000 1.236 206 C CA 1.372 60.259 59.018 -0.219 0.000 1.735 206 C CB -1.806 25.930 27.740 -0.007 0.000 2.031 206 C HN 0.745 nan 8.230 nan 0.000 0.474 207 A N 0.499 123.195 122.820 -0.207 0.000 1.877 207 A HA 0.051 4.371 4.320 -0.000 0.000 0.216 207 A C 2.378 179.950 177.584 -0.020 0.000 1.186 207 A CA 2.206 54.111 52.037 -0.221 0.000 0.620 207 A CB -1.018 17.567 19.000 -0.691 0.000 0.822 207 A HN 0.591 nan 8.150 nan 0.000 0.443 208 A N -0.880 121.859 122.820 -0.136 0.000 1.902 208 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 208 A C 2.485 179.995 177.584 -0.124 0.000 1.181 208 A CA 2.228 54.090 52.037 -0.292 0.000 0.623 208 A CB -0.985 17.701 19.000 -0.524 0.000 0.818 208 A HN 0.568 nan 8.150 nan 0.000 0.443 209 S N -0.389 115.211 115.700 -0.167 0.000 2.348 209 S HA -0.168 4.302 4.470 -0.000 0.000 0.221 209 S C 2.098 176.748 174.600 0.084 0.000 1.033 209 S CA 2.355 60.557 58.200 0.004 0.000 1.010 209 S CB -0.833 62.299 63.200 -0.113 0.000 0.891 209 S HN 1.007 nan 8.310 nan 0.000 0.442 210 V N 0.463 120.377 119.914 -0.000 0.000 2.427 210 V HA 0.133 4.253 4.120 -0.000 0.000 0.248 210 V C 2.514 178.576 176.094 -0.054 0.000 1.051 210 V CA 1.652 63.924 62.300 -0.047 0.000 1.048 210 V CB -1.648 30.156 31.823 -0.032 0.000 0.666 210 V HN 0.511 nan 8.190 nan 0.000 0.456 211 A N 1.671 124.498 122.820 0.012 0.000 1.930 211 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 211 A C 2.583 180.186 177.584 0.031 0.000 1.175 211 A CA 2.466 54.526 52.037 0.038 0.000 0.627 211 A CB -0.960 18.151 19.000 0.185 0.000 0.815 211 A HN 0.904 nan 8.150 nan 0.000 0.443 212 S N 0.179 115.914 115.700 0.059 0.000 2.357 212 S HA -0.071 4.399 4.470 -0.000 0.000 0.221 212 S C 1.916 176.511 174.600 -0.008 0.000 1.031 212 S CA 1.323 59.560 58.200 0.063 0.000 0.982 212 S CB -0.850 62.428 63.200 0.130 0.000 0.853 212 S HN 0.410 nan 8.310 nan 0.000 0.458 213 L N 2.019 123.202 121.223 -0.066 0.000 2.042 213 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 213 L C 2.975 179.687 176.870 -0.263 0.000 1.076 213 L CA 1.718 56.443 54.840 -0.193 0.000 0.749 213 L CB -1.166 40.727 42.059 -0.277 0.000 0.893 213 L HN 0.630 nan 8.230 nan 0.000 0.432 214 T N -4.159 110.148 114.554 -0.412 0.000 3.129 214 T HA 0.035 4.385 4.350 -0.000 0.000 0.251 214 T C 0.842 175.356 174.700 -0.311 0.000 1.117 214 T CA 0.221 61.855 62.100 -0.776 0.000 1.034 214 T CB -0.378 68.049 68.868 -0.736 0.000 0.968 214 T HN 0.360 nan 8.240 nan 0.000 0.526 215 N N 1.192 119.824 118.700 -0.114 0.000 2.708 215 N HA -0.173 4.566 4.740 -0.000 0.000 0.255 215 N C 0.216 175.712 175.510 -0.023 0.000 1.046 215 N CA 0.918 53.955 53.050 -0.021 0.000 0.715 215 N CB -1.869 36.636 38.487 0.029 0.000 0.895 215 N HN 0.909 nan 8.380 nan 0.000 0.545 216 I N -2.711 117.844 120.570 -0.026 0.000 4.102 216 I HA 0.374 4.544 4.170 -0.000 0.000 0.325 216 I C 0.052 176.165 176.117 -0.006 0.000 1.471 216 I CA -0.634 60.656 61.300 -0.017 0.000 1.133 216 I CB 0.167 38.141 38.000 -0.043 0.000 1.184 216 I HN 0.030 nan 8.210 nan 0.000 0.451 217 I N 4.052 124.644 120.570 0.037 0.000 2.494 217 I HA 0.090 4.260 4.170 -0.000 0.000 0.289 217 I C 1.007 177.156 176.117 0.053 0.000 1.106 217 I CA 0.203 61.547 61.300 0.074 0.000 1.369 217 I CB 0.624 38.741 38.000 0.194 0.000 1.410 217 I HN 0.362 nan 8.210 nan 0.000 0.523 218 T N 3.308 117.870 114.554 0.014 0.000 2.862 218 T HA 0.334 4.684 4.350 -0.000 0.000 0.276 218 T C -1.656 173.087 174.700 0.072 0.000 0.974 218 T CA -1.661 60.475 62.100 0.061 0.000 0.966 218 T CB 1.278 70.216 68.868 0.116 0.000 1.072 218 T HN 0.276 nan 8.240 nan 0.000 0.538 219 P HA -0.049 nan 4.420 nan 0.000 0.216 219 P C 0.982 178.331 177.300 0.082 0.000 1.150 219 P CA 1.078 64.226 63.100 0.080 0.000 0.837 219 P CB 0.009 31.749 31.700 0.066 0.000 0.786 220 D N -1.661 118.790 120.400 0.084 0.000 2.369 220 D HA -0.007 4.633 4.640 -0.000 0.000 0.211 220 D C 1.698 178.021 176.300 0.038 0.000 1.077 220 D CA -0.126 53.920 54.000 0.077 0.000 0.842 220 D CB -0.828 40.020 40.800 0.080 0.000 0.947 220 D HN 0.003 nan 8.370 nan 0.000 0.509 221 L N 0.162 121.345 121.223 -0.067 0.000 2.013 221 L HA -0.056 4.284 4.340 -0.000 0.000 0.212 221 L C 1.172 177.770 176.870 -0.453 0.000 1.073 221 L CA 1.741 56.333 54.840 -0.414 0.000 0.753 221 L CB -0.709 40.906 42.059 -0.740 0.000 0.890 221 L HN -0.028 nan 8.230 nan 0.000 0.432 222 F N -0.512 119.489 119.950 0.085 0.000 2.730 222 F HA 0.260 4.787 4.527 -0.000 0.000 0.295 222 F C 0.847 176.695 175.800 0.080 0.000 1.143 222 F CA -0.546 57.530 58.000 0.126 0.000 1.367 222 F CB -0.291 38.781 39.000 0.119 0.000 0.970 222 F HN 0.054 nan 8.300 nan 0.000 0.514 223 E N 0.413 120.692 120.200 0.131 0.000 2.417 223 E HA 0.267 4.617 4.350 -0.000 0.000 0.261 223 E C 1.293 177.943 176.600 0.083 0.000 1.000 223 E CA 1.022 57.479 56.400 0.095 0.000 0.919 223 E CB 0.327 30.054 29.700 0.045 0.000 0.955 223 E HN 0.537 nan 8.360 nan 0.000 0.455 224 G N 3.143 112.005 108.800 0.104 0.000 2.205 224 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.261 224 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.261 224 G C 1.114 176.119 174.900 0.175 0.000 0.980 224 G CA 0.686 45.851 45.100 0.109 0.000 0.632 224 G HN 0.622 nan 8.290 nan 0.000 0.533 225 T N 0.948 115.634 114.554 0.220 0.000 2.777 225 T HA 0.174 4.524 4.350 -0.000 0.000 0.266 225 T C 2.777 177.645 174.700 0.280 0.000 1.040 225 T CA 2.333 64.620 62.100 0.311 0.000 1.141 225 T CB -0.423 68.722 68.868 0.461 0.000 0.868 225 T HN 1.199 nan 8.240 nan 0.000 0.444 226 A N 1.540 124.471 122.820 0.187 0.000 1.933 226 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 226 A C 2.221 179.866 177.584 0.102 0.000 1.175 226 A CA 1.649 53.756 52.037 0.116 0.000 0.628 226 A CB -0.493 18.551 19.000 0.073 0.000 0.814 226 A HN 0.423 nan 8.150 nan 0.000 0.444 227 E N -1.453 118.818 120.200 0.118 0.000 2.072 227 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 227 E C 1.560 178.209 176.600 0.080 0.000 0.985 227 E CA 1.151 57.599 56.400 0.079 0.000 0.801 227 E CB -0.371 29.378 29.700 0.081 0.000 0.750 227 E HN 0.820 nan 8.360 nan 0.000 0.452 228 W N 1.069 122.377 121.300 0.013 0.000 2.335 228 W HA -0.145 4.514 4.660 -0.000 0.000 0.311 228 W C 1.727 178.243 176.519 -0.005 0.000 1.213 228 W CA 1.609 58.957 57.345 0.005 0.000 1.274 228 W CB -0.239 29.232 29.460 0.019 0.000 1.148 228 W HN -0.011 nan 8.180 nan 0.000 0.498 229 I N 0.602 121.249 120.570 0.127 0.000 2.208 229 I HA -0.336 3.834 4.170 -0.000 0.000 0.245 229 I C 2.586 178.586 176.117 -0.196 0.000 1.097 229 I CA 1.532 62.803 61.300 -0.048 0.000 1.363 229 I CB -1.131 36.922 38.000 0.088 0.000 1.051 229 I HN 0.087 nan 8.210 nan 0.000 0.413 230 A N 0.738 123.485 122.820 -0.123 0.000 1.972 230 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 230 A C 2.342 179.808 177.584 -0.196 0.000 1.169 230 A CA 1.328 53.286 52.037 -0.131 0.000 0.635 230 A CB -0.554 18.404 19.000 -0.071 0.000 0.810 230 A HN 0.336 nan 8.150 nan 0.000 0.446 231 R N -1.032 119.308 120.500 -0.267 0.000 2.237 231 R HA -0.091 4.248 4.340 -0.000 0.000 0.219 231 R C 1.681 177.758 176.300 -0.372 0.000 1.080 231 R CA 1.185 57.104 56.100 -0.302 0.000 0.995 231 R CB -0.588 29.501 30.300 -0.351 0.000 0.875 231 R HN 0.615 nan 8.270 nan 0.000 0.462 232 C N 0.359 119.380 119.300 -0.464 0.000 2.514 232 C HA 0.012 4.472 4.460 -0.000 0.000 0.271 232 C C 1.405 176.205 174.990 -0.317 0.000 1.399 232 C CA -0.346 58.409 59.018 -0.439 0.000 1.765 232 C CB -0.745 26.687 27.740 -0.513 0.000 1.893 232 C HN 0.446 nan 8.230 nan 0.000 0.531 233 Q N 2.713 122.350 119.800 -0.271 0.000 2.297 233 Q HA 0.140 4.480 4.340 -0.000 0.000 0.267 233 Q C 0.117 175.981 176.000 -0.226 0.000 1.006 233 Q CA 0.298 55.946 55.803 -0.258 0.000 0.896 233 Q CB 0.540 29.156 28.738 -0.203 0.000 1.186 233 Q HN 0.708 nan 8.270 nan 0.000 0.392 234 N N 3.580 122.110 118.700 -0.283 0.000 2.813 234 N HA 0.132 4.872 4.740 -0.000 0.000 0.320 234 N C 0.787 176.183 175.510 -0.191 0.000 1.315 234 N CA -0.645 52.280 53.050 -0.208 0.000 0.871 234 N CB -0.349 37.988 38.487 -0.249 0.000 1.241 234 N HN 0.864 nan 8.380 nan 0.000 0.602 235 W N -0.545 120.701 121.300 -0.090 0.000 2.389 235 W HA -0.046 4.614 4.660 -0.000 0.000 0.267 235 W C 0.351 176.847 176.519 -0.037 0.000 1.219 235 W CA 0.788 58.101 57.345 -0.053 0.000 1.189 235 W CB -0.871 28.569 29.460 -0.032 0.000 1.129 235 W HN 0.583 nan 8.180 nan 0.000 0.581 236 E N 0.169 119.887 120.200 -0.803 0.000 2.299 236 E HA 0.137 4.487 4.350 -0.000 0.000 0.193 236 E C 2.132 178.549 176.600 -0.305 0.000 0.998 236 E CA 0.905 56.900 56.400 -0.676 0.000 0.851 236 E CB -0.280 28.848 29.700 -0.953 0.000 0.795 236 E HN 0.418 nan 8.360 nan 0.000 0.492 237 G N 0.667 109.250 108.800 -0.360 0.000 2.284 237 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 237 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 237 G C 0.608 175.234 174.900 -0.457 0.000 1.009 237 G CA -0.241 44.724 45.100 -0.226 0.000 0.625 237 G HN 0.518 nan 8.290 nan 0.000 0.501 238 G N -0.332 107.814 108.800 -1.090 0.000 2.508 238 G HA2 0.628 4.588 3.960 -0.000 0.000 0.278 238 G HA3 0.628 4.588 3.960 -0.000 0.000 0.278 238 G C -0.222 174.170 174.900 -0.847 0.000 1.389 238 G CA -0.446 43.758 45.100 -1.493 0.000 1.050 238 G HN 0.696 nan 8.290 nan 0.000 0.522 239 I N 0.123 120.272 120.570 -0.702 0.000 2.465 239 I HA 0.459 4.628 4.170 -0.000 0.000 0.291 239 I C 0.748 176.702 176.117 -0.271 0.000 1.014 239 I CA -0.739 60.326 61.300 -0.392 0.000 1.093 239 I CB 2.102 39.948 38.000 -0.257 0.000 1.267 239 I HN 0.596 nan 8.210 nan 0.000 0.431 240 G N 2.631 111.278 108.800 -0.255 0.000 2.531 240 G HA2 0.431 4.391 3.960 -0.000 0.000 0.313 240 G HA3 0.431 4.391 3.960 -0.000 0.000 0.313 240 G C 0.892 175.569 174.900 -0.372 0.000 1.238 240 G CA -0.125 44.859 45.100 -0.193 0.000 0.994 240 G HN 0.776 nan 8.290 nan 0.000 0.493 241 G N -1.424 106.951 108.800 -0.709 0.000 2.418 241 G HA2 0.225 4.185 3.960 -0.000 0.000 0.217 241 G HA3 0.225 4.185 3.960 -0.000 0.000 0.217 241 G C 0.652 175.274 174.900 -0.463 0.000 1.158 241 G CA 1.895 46.244 45.100 -1.251 0.000 0.771 241 G HN 1.482 nan 8.290 nan 0.000 0.545 242 V N -4.648 115.086 119.914 -0.300 0.000 3.159 242 V HA 0.664 4.784 4.120 -0.000 0.000 0.308 242 V C -3.023 172.918 176.094 -0.255 0.000 1.190 242 V CA -3.040 59.160 62.300 -0.166 0.000 1.037 242 V CB 1.775 33.620 31.823 0.037 0.000 1.060 242 V HN -0.127 nan 8.190 nan 0.000 0.437 243 P HA 0.332 nan 4.420 nan 0.000 0.262 243 P C 0.985 178.207 177.300 -0.130 0.000 1.182 243 P CA 2.205 65.150 63.100 -0.259 0.000 0.761 243 P CB 0.582 32.130 31.700 -0.254 0.000 0.795 244 G N 1.984 110.723 108.800 -0.101 0.000 2.258 244 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.233 244 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.233 244 G C 0.235 175.132 174.900 -0.006 0.000 1.006 244 G CA -0.421 44.662 45.100 -0.028 0.000 0.620 244 G HN 0.402 nan 8.290 nan 0.000 0.511 245 M N 1.413 120.979 119.600 -0.056 0.000 2.247 245 M HA 0.389 4.869 4.480 -0.000 0.000 0.326 245 M C 0.779 177.055 176.300 -0.041 0.000 1.134 245 M CA -0.773 54.507 55.300 -0.034 0.000 1.136 245 M CB 0.847 33.407 32.600 -0.067 0.000 1.454 245 M HN 0.404 nan 8.290 nan 0.000 0.467 246 E N 1.165 121.374 120.200 0.015 0.000 2.481 246 E HA 0.195 4.545 4.350 -0.000 0.000 0.263 246 E C -0.676 175.889 176.600 -0.058 0.000 0.992 246 E CA -0.303 56.096 56.400 -0.002 0.000 0.938 246 E CB 0.687 30.438 29.700 0.086 0.000 0.933 246 E HN 0.688 nan 8.360 nan 0.000 0.453 247 A N 5.064 127.758 122.820 -0.211 0.000 2.488 247 A HA 0.109 4.429 4.320 -0.000 0.000 0.249 247 A C -0.492 177.088 177.584 -0.007 0.000 1.083 247 A CA 0.052 51.878 52.037 -0.351 0.000 0.768 247 A CB 0.354 18.818 19.000 -0.893 0.000 1.017 247 A HN 0.707 nan 8.150 nan 0.000 0.496 248 H N 1.512 120.553 119.070 -0.048 0.000 2.894 248 H HA 0.378 4.934 4.556 -0.000 0.000 0.367 248 H C 1.225 176.642 175.328 0.149 0.000 1.144 248 H CA 0.171 56.294 56.048 0.125 0.000 1.180 248 H CB 1.881 31.710 29.762 0.111 0.000 1.758 248 H HN 0.686 nan 8.280 nan 0.000 0.541 249 G N 2.288 111.098 108.800 0.017 0.000 2.469 249 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.219 249 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.219 249 G C 1.518 176.527 174.900 0.181 0.000 1.150 249 G CA 0.902 46.087 45.100 0.141 0.000 0.763 249 G HN 0.671 nan 8.290 nan 0.000 0.561 250 G N -0.178 108.701 108.800 0.131 0.000 2.421 250 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 250 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 250 G C 1.633 176.392 174.900 -0.234 0.000 1.171 250 G CA 0.906 45.786 45.100 -0.366 0.000 0.775 250 G HN 0.536 nan 8.290 nan 0.000 0.543 251 Y N 0.752 121.051 120.300 -0.002 0.000 2.314 251 Y HA -0.066 4.484 4.550 -0.000 0.000 0.293 251 Y C 3.340 179.212 175.900 -0.047 0.000 1.129 251 Y CA 1.100 59.178 58.100 -0.035 0.000 1.201 251 Y CB -0.130 38.304 38.460 -0.043 0.000 0.999 251 Y HN 0.121 nan 8.280 nan 0.000 0.541 252 T N 0.454 115.076 114.554 0.114 0.000 2.777 252 T HA -0.210 4.140 4.350 -0.000 0.000 0.266 252 T C 1.533 176.233 174.700 0.000 0.000 1.040 252 T CA 1.361 63.459 62.100 -0.004 0.000 1.141 252 T CB -0.611 68.240 68.868 -0.029 0.000 0.868 252 T HN 0.324 nan 8.240 nan 0.000 0.444 253 F N 1.458 121.398 119.950 -0.016 0.000 2.102 253 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 253 F C 2.470 178.166 175.800 -0.173 0.000 1.105 253 F CA 0.764 58.730 58.000 -0.055 0.000 1.239 253 F CB -0.785 38.276 39.000 0.103 0.000 0.991 253 F HN 0.147 nan 8.300 nan 0.000 0.474 254 C N 0.815 120.037 119.300 -0.130 0.000 2.398 254 C HA -0.148 4.312 4.460 -0.000 0.000 0.276 254 C C 3.099 177.990 174.990 -0.165 0.000 1.222 254 C CA 1.376 60.247 59.018 -0.246 0.000 1.746 254 C CB -1.943 25.837 27.740 0.067 0.000 2.039 254 C HN 0.747 nan 8.230 nan 0.000 0.470 255 G N -0.068 108.681 108.800 -0.084 0.000 2.433 255 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 255 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 255 G C 1.496 176.317 174.900 -0.131 0.000 1.186 255 G CA 0.984 46.046 45.100 -0.064 0.000 0.779 255 G HN 0.439 nan 8.290 nan 0.000 0.543 256 L N 1.464 122.564 121.223 -0.205 0.000 2.017 256 L HA 0.153 4.493 4.340 -0.000 0.000 0.208 256 L C 3.086 179.794 176.870 -0.269 0.000 1.073 256 L CA 2.207 56.920 54.840 -0.212 0.000 0.745 256 L CB -0.837 41.099 42.059 -0.205 0.000 0.894 256 L HN 0.248 nan 8.230 nan 0.000 0.432 257 A N -0.530 121.997 122.820 -0.488 0.000 1.908 257 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 257 A C 2.447 179.951 177.584 -0.133 0.000 1.181 257 A CA 1.946 53.720 52.037 -0.438 0.000 0.627 257 A CB -1.183 17.278 19.000 -0.899 0.000 0.818 257 A HN 0.584 nan 8.150 nan 0.000 0.445 258 A N -0.363 122.433 122.820 -0.040 0.000 1.902 258 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 258 A C 2.168 179.697 177.584 -0.091 0.000 1.181 258 A CA 1.446 53.479 52.037 -0.007 0.000 0.623 258 A CB -0.591 18.434 19.000 0.041 0.000 0.818 258 A HN 0.468 nan 8.150 nan 0.000 0.443 259 L N -0.506 120.670 121.223 -0.078 0.000 2.083 259 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 259 L C 2.508 179.340 176.870 -0.063 0.000 1.083 259 L CA 0.942 55.743 54.840 -0.064 0.000 0.752 259 L CB -0.449 41.578 42.059 -0.053 0.000 0.899 259 L HN 0.257 nan 8.230 nan 0.000 0.433 260 V N 0.128 119.998 119.914 -0.074 0.000 2.343 260 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 260 V C 2.280 178.353 176.094 -0.034 0.000 1.051 260 V CA 1.735 64.008 62.300 -0.045 0.000 1.036 260 V CB -0.253 31.538 31.823 -0.052 0.000 0.654 260 V HN 0.324 nan 8.190 nan 0.000 0.451 261 I N -0.404 120.124 120.570 -0.069 0.000 2.226 261 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 261 I C 1.994 178.065 176.117 -0.076 0.000 1.100 261 I CA 1.571 62.830 61.300 -0.068 0.000 1.374 261 I CB -0.200 37.722 38.000 -0.129 0.000 1.057 261 I HN 0.251 nan 8.210 nan 0.000 0.413 262 L N 0.420 121.572 121.223 -0.118 0.000 2.599 262 L HA 0.013 4.353 4.340 -0.000 0.000 0.230 262 L C 0.456 177.312 176.870 -0.024 0.000 1.141 262 L CA 0.253 55.035 54.840 -0.098 0.000 0.877 262 L CB -0.400 41.578 42.059 -0.136 0.000 1.009 262 L HN 0.219 nan 8.230 nan 0.000 0.447 263 K N 0.313 120.705 120.400 -0.014 0.000 3.096 263 K HA -0.176 4.144 4.320 -0.000 0.000 0.266 263 K C 0.078 176.683 176.600 0.009 0.000 1.043 263 K CA 0.388 56.681 56.287 0.009 0.000 0.758 263 K CB -0.998 31.516 32.500 0.024 0.000 1.260 263 K HN 0.187 nan 8.250 nan 0.000 0.481 264 K N 0.083 120.482 120.400 -0.002 0.000 2.676 264 K HA 0.060 4.380 4.320 -0.000 0.000 0.205 264 K C 0.306 176.903 176.600 -0.005 0.000 1.084 264 K CA -0.011 56.278 56.287 0.003 0.000 1.057 264 K CB 0.864 33.370 32.500 0.010 0.000 0.791 264 K HN 0.202 nan 8.250 nan 0.000 0.484 265 E N 0.922 121.116 120.200 -0.009 0.000 2.171 265 E HA -0.150 4.200 4.350 -0.000 0.000 0.197 265 E C 1.541 178.135 176.600 -0.010 0.000 0.997 265 E CA 1.151 57.542 56.400 -0.016 0.000 0.810 265 E CB -0.105 29.590 29.700 -0.009 0.000 0.738 265 E HN 0.194 nan 8.360 nan 0.000 0.467 266 R N 0.452 120.951 120.500 -0.001 0.000 2.200 266 R HA -0.045 4.294 4.340 -0.000 0.000 0.234 266 R C 2.085 178.382 176.300 -0.004 0.000 1.127 266 R CA 1.146 57.246 56.100 0.001 0.000 0.989 266 R CB -0.268 30.035 30.300 0.006 0.000 0.869 266 R HN 0.097 nan 8.270 nan 0.000 0.459 267 S N 0.864 116.560 115.700 -0.007 0.000 2.442 267 S HA -0.042 4.428 4.470 -0.000 0.000 0.236 267 S C 1.003 175.588 174.600 -0.025 0.000 1.007 267 S CA 0.735 58.929 58.200 -0.011 0.000 0.965 267 S CB -0.068 63.127 63.200 -0.008 0.000 0.773 267 S HN 0.171 nan 8.310 nan 0.000 0.504 268 L N 1.725 122.930 121.223 -0.030 0.000 2.416 268 L HA 0.357 4.697 4.340 -0.000 0.000 0.262 268 L C 0.566 177.420 176.870 -0.028 0.000 1.093 268 L CA -0.754 54.061 54.840 -0.042 0.000 0.801 268 L CB 0.249 42.275 42.059 -0.054 0.000 1.191 268 L HN 0.003 nan 8.230 nan 0.000 0.459 269 N N 1.641 120.322 118.700 -0.033 0.000 2.663 269 N HA 0.141 4.881 4.740 -0.000 0.000 0.250 269 N C 0.732 176.238 175.510 -0.007 0.000 1.129 269 N CA 0.042 53.083 53.050 -0.015 0.000 0.995 269 N CB 0.338 38.816 38.487 -0.015 0.000 1.324 269 N HN 0.584 nan 8.380 nan 0.000 0.512 270 L N 1.409 122.633 121.223 0.003 0.000 2.187 270 L HA -0.176 4.164 4.340 -0.000 0.000 0.213 270 L C 2.391 179.284 176.870 0.037 0.000 1.100 270 L CA 1.020 55.871 54.840 0.017 0.000 0.765 270 L CB -0.236 41.836 42.059 0.021 0.000 0.904 270 L HN 0.514 nan 8.230 nan 0.000 0.437 271 K N 0.522 120.943 120.400 0.036 0.000 2.025 271 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 271 K C 2.357 178.993 176.600 0.061 0.000 1.049 271 K CA 1.818 58.134 56.287 0.049 0.000 0.933 271 K CB -0.001 32.523 32.500 0.041 0.000 0.714 271 K HN 0.375 nan 8.250 nan 0.000 0.438 272 S N 1.184 116.913 115.700 0.048 0.000 2.423 272 S HA -0.136 4.334 4.470 -0.000 0.000 0.231 272 S C 1.992 176.646 174.600 0.090 0.000 1.014 272 S CA 0.759 58.995 58.200 0.060 0.000 0.965 272 S CB -0.343 62.875 63.200 0.030 0.000 0.785 272 S HN 0.295 nan 8.310 nan 0.000 0.495 273 L N 1.406 122.667 121.223 0.063 0.000 2.027 273 L HA 0.173 4.513 4.340 -0.000 0.000 0.206 273 L C 2.226 179.214 176.870 0.198 0.000 1.074 273 L CA 1.557 56.457 54.840 0.100 0.000 0.745 273 L CB -1.308 40.768 42.059 0.029 0.000 0.898 273 L HN 0.413 nan 8.230 nan 0.000 0.433 274 L N -0.289 121.017 121.223 0.139 0.000 2.042 274 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 274 L C 2.604 179.564 176.870 0.149 0.000 1.076 274 L CA 2.196 57.123 54.840 0.143 0.000 0.749 274 L CB -0.753 41.377 42.059 0.118 0.000 0.893 274 L HN 0.564 nan 8.230 nan 0.000 0.432 275 Q N -1.801 118.084 119.800 0.141 0.000 2.119 275 Q HA -0.266 4.074 4.340 -0.000 0.000 0.201 275 Q C 2.048 178.130 176.000 0.135 0.000 0.972 275 Q CA 2.104 57.980 55.803 0.122 0.000 0.847 275 Q CB -0.459 28.344 28.738 0.108 0.000 0.903 275 Q HN 0.679 nan 8.270 nan 0.000 0.433 276 W N -0.438 120.859 121.300 -0.005 0.000 2.378 276 W HA -0.184 4.476 4.660 -0.000 0.000 0.313 276 W C 1.980 178.496 176.519 -0.006 0.000 1.197 276 W CA 1.528 58.853 57.345 -0.032 0.000 1.304 276 W CB -0.663 28.750 29.460 -0.080 0.000 1.148 276 W HN 0.037 nan 8.180 nan 0.000 0.494 277 V N 1.465 121.420 119.914 0.069 0.000 2.343 277 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 277 V C 2.471 178.519 176.094 -0.077 0.000 1.051 277 V CA 3.336 65.524 62.300 -0.187 0.000 1.036 277 V CB -1.182 30.692 31.823 0.085 0.000 0.654 277 V HN 0.491 nan 8.190 nan 0.000 0.451 278 T N -2.753 111.823 114.554 0.037 0.000 2.833 278 T HA -0.155 4.195 4.350 -0.000 0.000 0.269 278 T C 1.851 176.530 174.700 -0.036 0.000 1.054 278 T CA 1.782 63.935 62.100 0.088 0.000 1.135 278 T CB -0.638 68.299 68.868 0.116 0.000 0.869 278 T HN 0.484 nan 8.240 nan 0.000 0.466 279 S N 1.088 116.714 115.700 -0.124 0.000 2.515 279 S HA 0.081 4.551 4.470 -0.000 0.000 0.231 279 S C 1.967 176.404 174.600 -0.271 0.000 0.987 279 S CA 0.138 58.235 58.200 -0.172 0.000 0.936 279 S CB -0.202 62.900 63.200 -0.164 0.000 0.766 279 S HN 0.422 nan 8.310 nan 0.000 0.528 280 R N 1.290 121.582 120.500 -0.348 0.000 2.276 280 R HA 0.142 4.482 4.340 -0.000 0.000 0.203 280 R C 0.907 176.998 176.300 -0.348 0.000 1.017 280 R CA 0.123 56.018 56.100 -0.342 0.000 1.010 280 R CB -0.353 29.692 30.300 -0.425 0.000 0.900 280 R HN 0.515 nan 8.270 nan 0.000 0.469 281 Q N 1.111 120.542 119.800 -0.615 0.000 2.296 281 Q HA 0.120 4.460 4.340 -0.000 0.000 0.262 281 Q C -0.497 175.217 176.000 -0.476 0.000 0.981 281 Q CA -0.218 54.948 55.803 -1.063 0.000 0.905 281 Q CB 0.725 28.787 28.738 -1.128 0.000 1.186 281 Q HN -0.143 nan 8.270 nan 0.000 0.399 282 M N 4.579 123.947 119.600 -0.386 0.000 2.184 282 M HA 0.066 4.546 4.480 -0.000 0.000 0.351 282 M C 1.182 177.426 176.300 -0.092 0.000 1.395 282 M CA 0.476 55.667 55.300 -0.182 0.000 1.117 282 M CB 0.432 32.946 32.600 -0.143 0.000 1.708 282 M HN 0.722 nan 8.290 nan 0.000 0.468 283 R N 1.875 122.357 120.500 -0.030 0.000 2.105 283 R HA -0.185 4.155 4.340 -0.000 0.000 0.239 283 R C 1.408 177.759 176.300 0.085 0.000 1.135 283 R CA 1.706 57.821 56.100 0.025 0.000 0.967 283 R CB -0.449 29.861 30.300 0.017 0.000 0.861 283 R HN 0.552 nan 8.270 nan 0.000 0.442 284 F N 1.846 121.789 119.950 -0.012 0.000 2.164 284 F HA 0.127 4.654 4.527 -0.000 0.000 0.287 284 F C 1.828 177.841 175.800 0.355 0.000 1.086 284 F CA 1.179 59.216 58.000 0.062 0.000 1.249 284 F CB 0.057 39.074 39.000 0.028 0.000 1.059 284 F HN -0.086 nan 8.300 nan 0.000 0.490 285 E N 0.207 120.517 120.200 0.184 0.000 2.110 285 E HA 0.050 4.400 4.350 -0.000 0.000 0.193 285 E C 1.873 178.531 176.600 0.098 0.000 0.988 285 E CA 1.375 57.843 56.400 0.113 0.000 0.804 285 E CB -0.627 29.050 29.700 -0.039 0.000 0.745 285 E HN 0.632 nan 8.360 nan 0.000 0.458 286 G N -0.240 108.549 108.800 -0.019 0.000 2.268 286 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.240 286 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.240 286 G C 0.655 175.474 174.900 -0.135 0.000 1.010 286 G CA 0.051 45.137 45.100 -0.024 0.000 0.618 286 G HN 0.641 nan 8.290 nan 0.000 0.516 287 G N -0.659 107.888 108.800 -0.421 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 -0.489 174.232 174.900 -0.297 0.000 1.350 287 G CA -0.687 44.178 45.100 -0.391 0.000 1.039 287 G HN 0.292 nan 8.290 nan 0.000 0.513 288 F N -0.527 119.348 119.950 -0.124 0.000 2.507 288 F HA 0.408 4.935 4.527 -0.000 0.000 0.327 288 F C 0.750 176.537 175.800 -0.022 0.000 1.068 288 F CA -0.658 57.288 58.000 -0.090 0.000 0.965 288 F CB 2.112 41.065 39.000 -0.078 0.000 1.192 288 F HN 0.529 nan 8.300 nan 0.000 0.476 289 Q N 0.553 120.379 119.800 0.043 0.000 2.204 289 Q HA 0.590 4.930 4.340 -0.000 0.000 0.254 289 Q C 0.450 176.186 176.000 -0.441 0.000 0.981 289 Q CA -0.560 55.211 55.803 -0.054 0.000 0.897 289 Q CB 1.665 30.339 28.738 -0.105 0.000 1.273 289 Q HN 0.814 nan 8.270 nan 0.000 0.464 290 G N 0.796 109.131 108.800 -0.774 0.000 2.494 290 G HA2 0.039 3.998 3.960 -0.000 0.000 0.216 290 G HA3 0.039 3.998 3.960 -0.000 0.000 0.216 290 G C 0.176 174.552 174.900 -0.874 0.000 1.140 290 G CA 0.078 44.290 45.100 -1.480 0.000 0.801 290 G HN 0.676 nan 8.290 nan 0.000 0.536 291 R N -2.032 118.212 120.500 -0.426 0.000 2.710 291 R HA 0.456 4.796 4.340 -0.000 0.000 0.270 291 R C -1.170 175.079 176.300 -0.084 0.000 1.021 291 R CA -0.926 55.090 56.100 -0.139 0.000 0.889 291 R CB 0.206 30.499 30.300 -0.011 0.000 1.243 291 R HN -0.028 nan 8.270 nan 0.000 0.464 292 C N 2.341 121.636 119.300 -0.009 0.000 2.611 292 C HA 0.064 4.524 4.460 -0.000 0.000 0.416 292 C C 0.759 175.757 174.990 0.012 0.000 1.366 292 C CA 1.060 60.068 59.018 -0.018 0.000 1.761 292 C CB -1.278 26.483 27.740 0.034 0.000 2.619 292 C HN 1.004 nan 8.230 nan 0.000 0.606 293 N N 2.218 120.917 118.700 -0.003 0.000 2.800 293 N HA -0.134 4.606 4.740 -0.000 0.000 0.250 293 N C -0.282 175.241 175.510 0.022 0.000 1.078 293 N CA 1.378 54.438 53.050 0.016 0.000 0.804 293 N CB -0.687 37.823 38.487 0.040 0.000 1.135 293 N HN 0.799 nan 8.380 nan 0.000 0.565 294 K N -0.075 120.332 120.400 0.011 0.000 2.380 294 K HA 0.569 4.889 4.320 -0.000 0.000 0.243 294 K C 0.641 177.260 176.600 0.031 0.000 1.071 294 K CA -0.755 55.552 56.287 0.033 0.000 0.942 294 K CB 0.948 33.480 32.500 0.053 0.000 1.324 294 K HN -0.070 nan 8.250 nan 0.000 0.517 295 L N 0.852 122.115 121.223 0.067 0.000 2.399 295 L HA 0.320 4.660 4.340 -0.000 0.000 0.265 295 L C 0.456 177.388 176.870 0.103 0.000 1.089 295 L CA -0.920 53.964 54.840 0.072 0.000 0.802 295 L CB 1.170 43.279 42.059 0.082 0.000 1.180 295 L HN 0.245 nan 8.230 nan 0.000 0.454 296 V N 1.134 121.087 119.914 0.065 0.000 2.963 296 V HA 0.129 4.249 4.120 -0.000 0.000 0.306 296 V C -0.555 175.637 176.094 0.164 0.000 1.077 296 V CA 0.491 62.819 62.300 0.046 0.000 1.124 296 V CB 1.317 33.055 31.823 -0.143 0.000 0.987 296 V HN 0.885 nan 8.190 nan 0.000 0.487 297 D N 2.948 123.497 120.400 0.248 0.000 2.931 297 D HA 0.328 4.968 4.640 -0.000 0.000 0.215 297 D C 0.691 177.149 176.300 0.264 0.000 1.297 297 D CA 0.182 54.328 54.000 0.243 0.000 0.892 297 D CB 1.685 42.591 40.800 0.176 0.000 1.642 297 D HN 0.598 nan 8.370 nan 0.000 0.560 298 G N 1.670 110.666 108.800 0.326 0.000 2.485 298 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.221 298 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.221 298 G C 1.712 176.727 174.900 0.191 0.000 1.115 298 G CA 1.326 46.625 45.100 0.331 0.000 0.751 298 G HN 0.748 nan 8.290 nan 0.000 0.567 299 C N -1.510 117.854 119.300 0.108 0.000 2.432 299 C HA 0.163 4.622 4.460 -0.000 0.000 0.282 299 C C 2.285 177.216 174.990 -0.099 0.000 1.388 299 C CA 0.038 58.985 59.018 -0.118 0.000 1.777 299 C CB -1.598 25.947 27.740 -0.325 0.000 1.882 299 C HN 0.470 nan 8.230 nan 0.000 0.520 300 Y N 1.998 122.417 120.300 0.199 0.000 2.632 300 Y HA -0.031 4.519 4.550 -0.000 0.000 0.301 300 Y C 2.686 178.530 175.900 -0.093 0.000 1.172 300 Y CA 0.504 58.675 58.100 0.118 0.000 1.328 300 Y CB -0.292 38.252 38.460 0.139 0.000 1.016 300 Y HN 0.326 nan 8.280 nan 0.000 0.529 301 S N 0.031 115.793 115.700 0.103 0.000 2.419 301 S HA -0.178 4.292 4.470 -0.000 0.000 0.233 301 S C 1.497 176.008 174.600 -0.148 0.000 1.016 301 S CA 1.274 59.492 58.200 0.030 0.000 0.974 301 S CB -0.293 62.998 63.200 0.152 0.000 0.786 301 S HN 0.556 nan 8.310 nan 0.000 0.492 302 F N 0.293 120.073 119.950 -0.283 0.000 2.298 302 F HA 0.200 4.727 4.527 -0.000 0.000 0.282 302 F C 1.598 177.124 175.800 -0.458 0.000 1.045 302 F CA 0.097 57.848 58.000 -0.415 0.000 1.280 302 F CB -0.688 38.010 39.000 -0.503 0.000 1.114 302 F HN 0.135 nan 8.300 nan 0.000 0.546 303 W N 1.188 122.290 121.300 -0.330 0.000 2.321 303 W HA -0.236 4.423 4.660 -0.000 0.000 0.306 303 W C 2.414 178.736 176.519 -0.329 0.000 1.217 303 W CA 1.217 58.342 57.345 -0.366 0.000 1.257 303 W CB -0.571 28.894 29.460 0.008 0.000 1.145 303 W HN 0.108 nan 8.180 nan 0.000 0.509 304 Q N -0.168 119.515 119.800 -0.194 0.000 2.036 304 Q HA 0.014 4.354 4.340 -0.000 0.000 0.195 304 Q C 2.488 177.977 176.000 -0.852 0.000 0.971 304 Q CA 1.472 56.981 55.803 -0.489 0.000 0.826 304 Q CB -1.327 27.004 28.738 -0.677 0.000 0.896 304 Q HN 0.294 nan 8.270 nan 0.000 0.449 305 A N 1.146 123.178 122.820 -1.312 0.000 2.024 305 A HA -0.085 4.235 4.320 -0.000 0.000 0.220 305 A C 2.221 179.327 177.584 -0.796 0.000 1.164 305 A CA 1.680 52.922 52.037 -1.326 0.000 0.643 305 A CB -1.005 17.129 19.000 -1.444 0.000 0.806 305 A HN 0.456 nan 8.150 nan 0.000 0.451 306 G N -0.437 107.929 108.800 -0.723 0.000 2.498 306 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.219 306 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.219 306 G C 1.399 176.112 174.900 -0.312 0.000 1.119 306 G CA 0.854 45.583 45.100 -0.618 0.000 0.766 306 G HN 0.471 nan 8.290 nan 0.000 0.552 307 L N -0.354 120.721 121.223 -0.247 0.000 2.141 307 L HA 0.059 4.399 4.340 -0.000 0.000 0.209 307 L C 2.760 179.556 176.870 -0.124 0.000 1.094 307 L CA 0.271 55.036 54.840 -0.126 0.000 0.763 307 L CB -0.255 41.773 42.059 -0.051 0.000 0.908 307 L HN 0.188 nan 8.230 nan 0.000 0.437 308 L N -0.308 120.816 121.223 -0.164 0.000 2.017 308 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 308 L C -0.202 176.583 176.870 -0.143 0.000 1.073 308 L CA 1.582 56.410 54.840 -0.019 0.000 0.745 308 L CB -1.641 40.546 42.059 0.214 0.000 0.894 308 L HN 0.189 nan 8.230 nan 0.000 0.432 309 P HA -0.161 nan 4.420 nan 0.000 0.217 309 P C 1.902 179.086 177.300 -0.193 0.000 1.150 309 P CA 1.305 63.910 63.100 -0.825 0.000 0.832 309 P CB 0.076 31.202 31.700 -0.956 0.000 0.787 310 L N -1.623 119.513 121.223 -0.145 0.000 2.017 310 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 310 L C 2.431 179.315 176.870 0.024 0.000 1.073 310 L CA 1.383 56.190 54.840 -0.056 0.000 0.745 310 L CB -0.983 41.012 42.059 -0.106 0.000 0.894 310 L HN -0.022 nan 8.230 nan 0.000 0.432 311 L N -1.124 120.127 121.223 0.048 0.000 2.093 311 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 311 L C 2.608 179.577 176.870 0.166 0.000 1.085 311 L CA 1.110 56.008 54.840 0.095 0.000 0.755 311 L CB -0.565 41.558 42.059 0.107 0.000 0.904 311 L HN 0.311 nan 8.230 nan 0.000 0.435 312 H N 0.116 119.283 119.070 0.162 0.000 2.321 312 H HA -0.215 4.341 4.556 -0.000 0.000 0.300 312 H C 2.515 177.970 175.328 0.212 0.000 1.087 312 H CA 2.003 58.206 56.048 0.257 0.000 1.319 312 H CB 0.131 30.169 29.762 0.461 0.000 1.379 312 H HN 0.065 nan 8.280 nan 0.000 0.501 313 R N 0.142 120.838 120.500 0.326 0.000 2.096 313 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 313 R C 2.302 178.710 176.300 0.179 0.000 1.127 313 R CA 1.175 57.422 56.100 0.245 0.000 0.968 313 R CB -0.364 30.032 30.300 0.160 0.000 0.861 313 R HN 0.416 nan 8.270 nan 0.000 0.440 314 A N 1.221 124.114 122.820 0.121 0.000 1.873 314 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 314 A C 2.225 179.852 177.584 0.071 0.000 1.186 314 A CA 1.131 53.215 52.037 0.078 0.000 0.616 314 A CB -0.534 18.495 19.000 0.048 0.000 0.823 314 A HN 0.336 nan 8.150 nan 0.000 0.442 315 L N -1.321 119.943 121.223 0.069 0.000 2.093 315 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 315 L C 2.705 179.604 176.870 0.048 0.000 1.085 315 L CA 1.572 56.437 54.840 0.043 0.000 0.755 315 L CB -0.708 41.367 42.059 0.027 0.000 0.904 315 L HN 0.626 nan 8.230 nan 0.000 0.435 316 H N 0.444 119.492 119.070 -0.036 0.000 2.389 316 H HA -0.109 4.446 4.556 -0.000 0.000 0.299 316 H C 2.064 177.406 175.328 0.022 0.000 1.081 316 H CA 1.294 57.332 56.048 -0.017 0.000 1.345 316 H CB 0.431 30.202 29.762 0.015 0.000 1.393 316 H HN 0.327 nan 8.280 nan 0.000 0.520 317 A N 0.624 123.472 122.820 0.046 0.000 2.121 317 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 317 A C 2.087 179.645 177.584 -0.044 0.000 1.154 317 A CA 0.995 53.028 52.037 -0.006 0.000 0.679 317 A CB -0.235 18.799 19.000 0.057 0.000 0.795 317 A HN 0.566 nan 8.150 nan 0.000 0.458 318 Q N -1.479 118.302 119.800 -0.033 0.000 2.320 318 Q HA 0.268 4.608 4.340 -0.000 0.000 0.201 318 Q C 0.948 176.917 176.000 -0.052 0.000 0.910 318 Q CA 0.249 56.034 55.803 -0.029 0.000 0.946 318 Q CB 0.229 28.963 28.738 -0.006 0.000 1.062 318 Q HN 0.809 nan 8.270 nan 0.000 0.503 319 G N 2.041 110.775 108.800 -0.110 0.000 2.153 319 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.252 319 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.252 319 G C -0.205 174.658 174.900 -0.061 0.000 0.994 319 G CA 0.241 45.270 45.100 -0.119 0.000 0.698 319 G HN 0.409 nan 8.290 nan 0.000 0.521 320 D N 0.853 121.233 120.400 -0.034 0.000 2.479 320 D HA 0.145 4.785 4.640 -0.000 0.000 0.257 320 D C 0.288 176.598 176.300 0.016 0.000 1.230 320 D CA -0.678 53.322 54.000 -0.001 0.000 0.912 320 D CB 1.048 41.852 40.800 0.007 0.000 1.130 320 D HN 0.295 nan 8.370 nan 0.000 0.515 321 P HA 0.010 nan 4.420 nan 0.000 0.231 321 P C 0.618 177.939 177.300 0.036 0.000 1.168 321 P CA 0.248 63.365 63.100 0.028 0.000 0.779 321 P CB 0.357 32.068 31.700 0.017 0.000 0.844 322 A N -0.154 122.684 122.820 0.031 0.000 2.251 322 A HA 0.181 4.501 4.320 -0.000 0.000 0.209 322 A C 1.155 178.764 177.584 0.042 0.000 1.187 322 A CA -0.202 51.855 52.037 0.033 0.000 0.823 322 A CB -0.861 18.157 19.000 0.029 0.000 0.846 322 A HN 0.141 nan 8.150 nan 0.000 0.486 323 L N 1.283 122.534 121.223 0.046 0.000 2.462 323 L HA 0.093 4.433 4.340 -0.000 0.000 0.272 323 L C 1.126 178.062 176.870 0.110 0.000 1.166 323 L CA -0.286 54.586 54.840 0.053 0.000 0.880 323 L CB 0.865 42.884 42.059 -0.065 0.000 1.142 323 L HN 0.332 nan 8.230 nan 0.000 0.473 324 S N 3.492 119.271 115.700 0.132 0.000 2.566 324 S HA 0.050 4.520 4.470 -0.000 0.000 0.280 324 S C 0.793 175.412 174.600 0.032 0.000 1.343 324 S CA -0.213 58.010 58.200 0.037 0.000 1.036 324 S CB 0.518 63.703 63.200 -0.025 0.000 0.866 324 S HN 0.592 nan 8.310 nan 0.000 0.526 325 M N 3.245 122.746 119.600 -0.166 0.000 2.484 325 M HA 0.177 4.657 4.480 -0.000 0.000 0.307 325 M C 0.998 176.890 176.300 -0.681 0.000 1.149 325 M CA 0.176 55.365 55.300 -0.185 0.000 0.972 325 M CB -0.336 32.240 32.600 -0.039 0.000 1.400 325 M HN 0.860 nan 8.290 nan 0.000 0.508 326 S N -2.194 112.769 115.700 -1.227 0.000 2.661 326 S HA 0.236 4.706 4.470 -0.000 0.000 0.275 326 S C 0.133 173.550 174.600 -1.972 0.000 1.075 326 S CA -0.338 56.947 58.200 -1.525 0.000 1.251 326 S CB 0.652 63.224 63.200 -1.047 0.000 1.167 326 S HN 0.466 nan 8.310 nan 0.000 0.648 327 H N -1.156 117.084 119.070 -1.384 0.000 2.980 327 H HA 0.589 5.145 4.556 -0.000 0.000 0.367 327 H C -1.409 173.695 175.328 -0.374 0.000 1.206 327 H CA -0.830 54.761 56.048 -0.761 0.000 1.126 327 H CB 0.806 30.325 29.762 -0.405 0.000 1.838 327 H HN 0.296 nan 8.280 nan 0.000 0.552 328 W N 1.250 122.659 121.300 0.181 0.000 2.183 328 W HA 0.274 4.933 4.660 -0.000 0.000 0.348 328 W C 0.597 177.214 176.519 0.164 0.000 1.257 328 W CA -0.745 56.748 57.345 0.248 0.000 1.324 328 W CB 0.611 30.219 29.460 0.246 0.000 1.144 328 W HN 0.348 nan 8.180 nan 0.000 0.622 329 M N 3.171 123.124 119.600 0.589 0.000 3.435 329 M HA 0.147 4.627 4.480 -0.000 0.000 0.205 329 M C -1.124 175.443 176.300 0.444 0.000 1.324 329 M CA 0.324 55.860 55.300 0.392 0.000 1.455 329 M CB -0.896 31.902 32.600 0.329 0.000 1.240 329 M HN 0.309 nan 8.290 nan 0.000 0.477 330 F N -3.868 116.241 119.950 0.264 0.000 2.662 330 F HA 0.416 4.943 4.527 -0.000 0.000 0.312 330 F C -0.493 175.411 175.800 0.173 0.000 1.113 330 F CA -1.332 56.815 58.000 0.245 0.000 0.951 330 F CB 0.795 40.042 39.000 0.411 0.000 1.344 330 F HN -0.100 nan 8.300 nan 0.000 0.462 331 H N 2.894 122.056 119.070 0.153 0.000 3.224 331 H HA 0.157 4.713 4.556 -0.000 0.000 0.265 331 H C 0.678 175.965 175.328 -0.068 0.000 1.461 331 H CA 0.817 56.809 56.048 -0.092 0.000 1.509 331 H CB 0.816 30.478 29.762 -0.167 0.000 1.686 331 H HN 0.866 nan 8.280 nan 0.000 0.514 332 Q N 2.379 122.020 119.800 -0.266 0.000 2.096 332 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 332 Q C 2.179 178.238 176.000 0.098 0.000 0.982 332 Q CA 1.719 57.431 55.803 -0.151 0.000 0.850 332 Q CB 0.136 28.740 28.738 -0.223 0.000 0.901 332 Q HN 0.703 nan 8.270 nan 0.000 0.422 333 Q N 0.147 119.987 119.800 0.067 0.000 2.030 333 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 333 Q C 2.051 178.116 176.000 0.108 0.000 0.986 333 Q CA 1.523 57.377 55.803 0.085 0.000 0.843 333 Q CB -0.199 28.566 28.738 0.046 0.000 0.904 333 Q HN 0.398 nan 8.270 nan 0.000 0.420 334 A N 0.761 123.639 122.820 0.096 0.000 1.933 334 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 334 A C 1.992 179.660 177.584 0.140 0.000 1.175 334 A CA 1.363 53.359 52.037 -0.068 0.000 0.628 334 A CB -0.715 18.006 19.000 -0.466 0.000 0.814 334 A HN 0.498 nan 8.150 nan 0.000 0.444 335 L N -0.097 121.282 121.223 0.260 0.000 2.027 335 L HA -0.197 4.143 4.340 -0.000 0.000 0.206 335 L C 2.511 179.568 176.870 0.312 0.000 1.074 335 L CA 2.332 57.391 54.840 0.365 0.000 0.745 335 L CB -0.728 41.669 42.059 0.563 0.000 0.898 335 L HN 0.508 nan 8.230 nan 0.000 0.433 336 Q N -0.573 119.370 119.800 0.238 0.000 2.096 336 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 336 Q C 2.090 178.166 176.000 0.128 0.000 0.982 336 Q CA 2.018 57.916 55.803 0.159 0.000 0.850 336 Q CB -0.258 28.543 28.738 0.105 0.000 0.901 336 Q HN 0.655 nan 8.270 nan 0.000 0.422 337 E N -0.026 120.247 120.200 0.122 0.000 2.077 337 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 337 E C 1.769 178.476 176.600 0.178 0.000 0.989 337 E CA 1.087 57.547 56.400 0.099 0.000 0.800 337 E CB -0.193 29.522 29.700 0.026 0.000 0.746 337 E HN 0.334 nan 8.360 nan 0.000 0.452 338 Y N 1.528 121.913 120.300 0.141 0.000 2.097 338 Y HA -0.235 4.315 4.550 -0.000 0.000 0.282 338 Y C 1.952 177.925 175.900 0.121 0.000 1.152 338 Y CA 1.511 59.710 58.100 0.166 0.000 1.136 338 Y CB -0.259 38.291 38.460 0.150 0.000 0.975 338 Y HN -0.053 nan 8.280 nan 0.000 0.498 339 I N -0.416 120.157 120.570 0.004 0.000 2.142 339 I HA -0.347 3.823 4.170 -0.000 0.000 0.240 339 I C 2.382 178.444 176.117 -0.092 0.000 1.078 339 I CA 1.591 62.840 61.300 -0.084 0.000 1.343 339 I CB -0.575 37.463 38.000 0.063 0.000 1.046 339 I HN 0.237 nan 8.210 nan 0.000 0.405 340 L N -0.332 120.887 121.223 -0.007 0.000 2.046 340 L HA -0.208 4.131 4.340 -0.000 0.000 0.208 340 L C 2.604 179.480 176.870 0.011 0.000 1.077 340 L CA 1.464 56.313 54.840 0.014 0.000 0.747 340 L CB -0.365 41.715 42.059 0.036 0.000 0.896 340 L HN 0.281 nan 8.230 nan 0.000 0.432 341 M N -1.900 117.713 119.600 0.023 0.000 2.334 341 M HA -0.099 4.381 4.480 -0.000 0.000 0.266 341 M C 1.896 178.164 176.300 -0.054 0.000 1.082 341 M CA 1.010 56.350 55.300 0.065 0.000 1.141 341 M CB -0.045 32.684 32.600 0.216 0.000 1.380 341 M HN 0.372 nan 8.290 nan 0.000 0.440 342 C N -1.740 117.431 119.300 -0.215 0.000 3.188 342 C HA 0.153 4.613 4.460 -0.000 0.000 0.315 342 C C 1.936 176.726 174.990 -0.334 0.000 1.285 342 C CA -0.495 58.325 59.018 -0.329 0.000 1.729 342 C CB -0.368 27.057 27.740 -0.525 0.000 2.257 342 C HN 0.564 nan 8.230 nan 0.000 0.645 343 C N 1.039 120.142 119.300 -0.329 0.000 2.884 343 C HA 0.208 4.668 4.460 -0.000 0.000 0.287 343 C C 0.619 175.525 174.990 -0.140 0.000 1.310 343 C CA -0.139 58.738 59.018 -0.236 0.000 1.725 343 C CB -1.763 25.837 27.740 -0.233 0.000 2.060 343 C HN 0.604 nan 8.230 nan 0.000 0.618 344 Q N 0.325 120.070 119.800 -0.093 0.000 2.271 344 Q HA 0.341 4.681 4.340 -0.000 0.000 0.258 344 Q C -0.474 175.507 176.000 -0.032 0.000 0.936 344 Q CA -0.098 55.697 55.803 -0.012 0.000 0.909 344 Q CB 1.859 30.645 28.738 0.079 0.000 1.253 344 Q HN 0.473 nan 8.270 nan 0.000 0.440 345 C N 4.524 123.803 119.300 -0.035 0.000 2.435 345 C HA 0.313 4.773 4.460 -0.000 0.000 0.375 345 C C -1.281 173.676 174.990 -0.055 0.000 1.281 345 C CA -1.815 57.152 59.018 -0.085 0.000 1.963 345 C CB 0.088 27.726 27.740 -0.170 0.000 2.490 345 C HN 0.736 nan 8.230 nan 0.000 0.557 346 P HA -0.068 nan 4.420 nan 0.000 0.216 346 P C 1.116 178.374 177.300 -0.071 0.000 1.150 346 P CA 1.955 65.017 63.100 -0.063 0.000 0.837 346 P CB 0.079 31.744 31.700 -0.057 0.000 0.786 347 A N -1.281 121.493 122.820 -0.078 0.000 2.238 347 A HA 0.475 4.795 4.320 -0.000 0.000 0.208 347 A C 1.027 178.569 177.584 -0.070 0.000 1.177 347 A CA 0.808 52.807 52.037 -0.064 0.000 0.804 347 A CB -0.920 18.046 19.000 -0.057 0.000 0.823 347 A HN 0.325 nan 8.150 nan 0.000 0.482 348 G N -2.841 105.899 108.800 -0.100 0.000 2.576 348 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 0.357 175.081 174.900 -0.294 0.000 1.242 348 G CA -0.210 44.869 45.100 -0.034 0.000 0.819 348 G HN 2.393 nan 8.290 nan 0.000 0.655 349 G N -1.256 107.524 108.800 -0.035 0.000 2.712 349 G HA2 0.341 4.301 3.960 -0.000 0.000 0.686 349 G HA3 0.341 4.301 3.960 -0.000 0.000 0.686 349 G C -0.569 174.170 174.900 -0.270 0.000 1.321 349 G CA 0.125 44.974 45.100 -0.417 0.000 0.813 349 G HN 1.639 nan 8.290 nan 0.000 0.599 350 L N 0.225 121.306 121.223 -0.237 0.000 2.286 350 L HA 0.964 5.304 4.340 -0.000 0.000 0.265 350 L C 0.528 177.327 176.870 -0.118 0.000 1.012 350 L CA -0.983 53.745 54.840 -0.187 0.000 0.818 350 L CB 1.831 43.765 42.059 -0.210 0.000 1.337 350 L HN 0.981 nan 8.230 nan 0.000 0.438 351 L N -3.175 117.975 121.223 -0.122 0.000 2.397 351 L HA 0.698 5.038 4.340 -0.000 0.000 0.251 351 L C 0.348 177.072 176.870 -0.243 0.000 1.064 351 L CA -0.710 54.015 54.840 -0.193 0.000 0.859 351 L CB 0.642 42.580 42.059 -0.201 0.000 1.468 351 L HN 0.446 nan 8.230 nan 0.000 0.411 352 D N 0.211 120.293 120.400 -0.530 0.000 2.077 352 D HA -0.081 4.559 4.640 -0.000 0.000 0.193 352 D C 0.034 176.311 176.300 -0.038 0.000 0.989 352 D CA 2.253 56.030 54.000 -0.371 0.000 0.831 352 D CB 0.339 40.847 40.800 -0.487 0.000 0.979 352 D HN 0.727 nan 8.370 nan 0.000 0.449 353 K N -1.857 118.508 120.400 -0.059 0.000 2.578 353 K HA 0.532 4.852 4.320 -0.000 0.000 0.287 353 K C -3.034 173.536 176.600 -0.050 0.000 1.010 353 K CA -1.712 54.593 56.287 0.029 0.000 0.889 353 K CB 1.447 34.017 32.500 0.118 0.000 1.514 353 K HN -0.290 nan 8.250 nan 0.000 0.424 354 P HA 0.037 nan 4.420 nan 0.000 0.264 354 P C 0.441 177.708 177.300 -0.055 0.000 1.193 354 P CA 1.660 64.716 63.100 -0.074 0.000 0.763 354 P CB 0.628 32.279 31.700 -0.081 0.000 0.810 355 G N 1.624 110.386 108.800 -0.064 0.000 2.232 355 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.226 355 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.226 355 G C 0.111 174.976 174.900 -0.059 0.000 0.996 355 G CA -0.338 44.731 45.100 -0.052 0.000 0.626 355 G HN 0.465 nan 8.290 nan 0.000 0.509 356 K N 1.548 121.901 120.400 -0.078 0.000 2.098 356 K HA 0.625 4.945 4.320 -0.000 0.000 0.261 356 K C 0.702 177.237 176.600 -0.109 0.000 0.987 356 K CA 0.228 56.456 56.287 -0.098 0.000 0.916 356 K CB 1.502 33.916 32.500 -0.142 0.000 1.039 356 K HN 0.579 nan 8.250 nan 0.000 0.455 357 S N 1.131 116.771 115.700 -0.100 0.000 2.610 357 S HA 0.356 4.825 4.470 -0.000 0.000 0.273 357 S C 0.297 174.831 174.600 -0.110 0.000 1.274 357 S CA -0.969 57.173 58.200 -0.095 0.000 1.023 357 S CB 1.109 64.268 63.200 -0.069 0.000 0.962 357 S HN 0.577 nan 8.310 nan 0.000 0.523 358 R N 0.521 120.944 120.500 -0.128 0.000 2.738 358 R HA 0.487 4.827 4.340 -0.000 0.000 0.268 358 R C -0.998 175.278 176.300 -0.041 0.000 1.062 358 R CA -0.299 55.712 56.100 -0.148 0.000 1.158 358 R CB -0.342 29.763 30.300 -0.326 0.000 1.046 358 R HN 0.870 nan 8.270 nan 0.000 0.493 359 D N -0.481 119.928 120.400 0.016 0.000 2.648 359 D HA 0.116 4.756 4.640 -0.000 0.000 0.244 359 D C -0.382 175.919 176.300 0.001 0.000 1.244 359 D CA -0.820 53.241 54.000 0.102 0.000 0.772 359 D CB 0.139 41.055 40.800 0.193 0.000 1.379 359 D HN 0.372 nan 8.370 nan 0.000 0.428 360 F N -0.604 119.499 119.950 0.255 0.000 2.293 360 F HA -0.049 4.478 4.527 -0.000 0.000 0.300 360 F C 1.935 177.563 175.800 -0.287 0.000 1.086 360 F CA 0.684 58.713 58.000 0.048 0.000 1.375 360 F CB -0.367 38.683 39.000 0.083 0.000 1.045 360 F HN 0.493 nan 8.300 nan 0.000 0.516 361 Y N 0.389 120.301 120.300 -0.647 0.000 2.133 361 Y HA -0.262 4.288 4.550 -0.000 0.000 0.287 361 Y C 2.420 177.971 175.900 -0.583 0.000 1.134 361 Y CA 1.994 59.334 58.100 -1.267 0.000 1.133 361 Y CB -0.860 36.881 38.460 -1.199 0.000 0.987 361 Y HN 0.043 nan 8.280 nan 0.000 0.502 362 H N -1.106 117.831 119.070 -0.221 0.000 2.457 362 H HA -0.070 4.485 4.556 -0.000 0.000 0.294 362 H C 2.132 177.314 175.328 -0.243 0.000 1.064 362 H CA 1.781 57.699 56.048 -0.217 0.000 1.330 362 H CB -0.147 29.581 29.762 -0.058 0.000 1.395 362 H HN 0.315 nan 8.280 nan 0.000 0.541 363 T N -0.651 113.833 114.554 -0.115 0.000 2.737 363 T HA -0.224 4.126 4.350 -0.000 0.000 0.265 363 T C 2.341 176.901 174.700 -0.234 0.000 1.038 363 T CA 1.299 63.322 62.100 -0.127 0.000 1.144 363 T CB -0.671 68.214 68.868 0.028 0.000 0.866 363 T HN 0.565 nan 8.240 nan 0.000 0.434 364 C N 0.636 119.721 119.300 -0.357 0.000 2.432 364 C HA -0.093 4.367 4.460 -0.000 0.000 0.277 364 C C 2.358 176.934 174.990 -0.690 0.000 1.249 364 C CA 0.509 59.210 59.018 -0.527 0.000 1.725 364 C CB -1.448 25.896 27.740 -0.661 0.000 2.028 364 C HN 0.653 nan 8.230 nan 0.000 0.477 365 Y N -0.257 119.756 120.300 -0.478 0.000 2.337 365 Y HA -0.030 4.520 4.550 -0.000 0.000 0.293 365 Y C 2.886 178.625 175.900 -0.268 0.000 1.123 365 Y CA 1.363 59.162 58.100 -0.502 0.000 1.201 365 Y CB -0.614 37.368 38.460 -0.797 0.000 1.011 365 Y HN 0.375 nan 8.280 nan 0.000 0.545 366 C N -0.042 119.196 119.300 -0.104 0.000 2.446 366 C HA -0.139 4.321 4.460 -0.000 0.000 0.277 366 C C 2.686 177.651 174.990 -0.042 0.000 1.275 366 C CA 0.861 59.862 59.018 -0.028 0.000 1.727 366 C CB -1.197 26.517 27.740 -0.042 0.000 2.010 366 C HN 0.524 nan 8.230 nan 0.000 0.486 367 L N 0.373 121.526 121.223 -0.117 0.000 2.056 367 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 367 L C 2.678 179.513 176.870 -0.058 0.000 1.078 367 L CA 1.426 56.203 54.840 -0.104 0.000 0.749 367 L CB -0.719 41.238 42.059 -0.170 0.000 0.901 367 L HN 0.304 nan 8.230 nan 0.000 0.433 368 S N 0.098 115.743 115.700 -0.091 0.000 2.359 368 S HA -0.155 4.315 4.470 -0.000 0.000 0.224 368 S C 2.003 176.714 174.600 0.186 0.000 1.035 368 S CA 1.371 59.587 58.200 0.027 0.000 1.018 368 S CB -0.654 62.457 63.200 -0.148 0.000 0.876 368 S HN 0.618 nan 8.310 nan 0.000 0.448 369 G N 1.403 110.302 108.800 0.166 0.000 2.408 369 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.217 369 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.217 369 G C 1.383 176.386 174.900 0.171 0.000 1.150 369 G CA 0.765 45.961 45.100 0.160 0.000 0.776 369 G HN 0.403 nan 8.290 nan 0.000 0.542 370 L N 1.057 122.359 121.223 0.131 0.000 2.017 370 L HA 0.005 4.345 4.340 -0.000 0.000 0.208 370 L C 2.898 179.843 176.870 0.125 0.000 1.073 370 L CA 2.442 57.357 54.840 0.124 0.000 0.745 370 L CB -0.846 41.254 42.059 0.068 0.000 0.894 370 L HN 0.225 nan 8.230 nan 0.000 0.432 371 S N -0.712 115.068 115.700 0.133 0.000 2.359 371 S HA -0.166 4.304 4.470 -0.000 0.000 0.224 371 S C 2.056 176.820 174.600 0.274 0.000 1.035 371 S CA 1.480 59.793 58.200 0.189 0.000 1.018 371 S CB -0.330 63.003 63.200 0.222 0.000 0.876 371 S HN 0.422 nan 8.310 nan 0.000 0.448 372 I N 2.024 122.767 120.570 0.288 0.000 2.163 372 I HA -0.183 3.987 4.170 -0.000 0.000 0.243 372 I C 2.832 179.248 176.117 0.498 0.000 1.085 372 I CA 1.621 63.123 61.300 0.335 0.000 1.347 372 I CB -1.842 36.265 38.000 0.178 0.000 1.044 372 I HN 0.391 nan 8.210 nan 0.000 0.408 373 A N -0.014 123.082 122.820 0.459 0.000 2.019 373 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 373 A C 2.206 179.916 177.584 0.210 0.000 1.164 373 A CA 1.336 53.655 52.037 0.470 0.000 0.644 373 A CB -0.518 18.750 19.000 0.447 0.000 0.805 373 A HN 0.560 nan 8.150 nan 0.000 0.449 374 Q N -1.060 118.773 119.800 0.055 0.000 2.269 374 Q HA 0.010 4.350 4.340 -0.000 0.000 0.201 374 Q C -0.288 175.529 176.000 -0.305 0.000 0.946 374 Q CA 0.527 56.200 55.803 -0.217 0.000 0.877 374 Q CB 0.180 28.640 28.738 -0.462 0.000 0.963 374 Q HN 0.728 nan 8.270 nan 0.000 0.472 375 H N -0.826 118.362 119.070 0.197 0.000 2.589 375 H HA 0.233 4.789 4.556 -0.000 0.000 0.335 375 H C -1.571 173.891 175.328 0.225 0.000 1.019 375 H CA -0.717 55.424 56.048 0.156 0.000 1.213 375 H CB 0.823 30.674 29.762 0.148 0.000 1.472 375 H HN 0.017 nan 8.280 nan 0.000 0.508 376 F N 2.112 121.994 119.950 -0.113 0.000 2.458 376 F HA 0.601 5.128 4.527 -0.000 0.000 0.336 376 F C -0.278 175.321 175.800 -0.336 0.000 1.114 376 F CA -0.395 57.222 58.000 -0.638 0.000 0.987 376 F CB 1.627 40.060 39.000 -0.946 0.000 1.130 376 F HN 0.572 nan 8.300 nan 0.000 0.458 377 G N 2.526 110.638 108.800 -1.147 0.000 2.719 377 G HA2 0.457 4.417 3.960 -0.000 0.000 0.298 377 G HA3 0.457 4.417 3.960 -0.000 0.000 0.298 377 G C -1.664 172.751 174.900 -0.808 0.000 1.433 377 G CA -0.756 43.956 45.100 -0.645 0.000 1.034 377 G HN 0.701 nan 8.290 nan 0.000 0.517 378 S N 1.571 116.957 115.700 -0.522 0.000 2.440 378 S HA 0.562 5.032 4.470 -0.000 0.000 0.142 378 S C 0.963 175.484 174.600 -0.133 0.000 1.578 378 S CA 0.906 58.909 58.200 -0.328 0.000 1.260 378 S CB -0.604 62.437 63.200 -0.265 0.000 1.407 378 S HN 2.499 nan 8.310 nan 0.000 0.392 379 G N 3.054 111.807 108.800 -0.079 0.000 2.536 379 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.277 379 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.277 379 G C 1.129 176.028 174.900 -0.002 0.000 1.155 379 G CA 0.144 45.239 45.100 -0.008 0.000 0.960 379 G HN 1.549 nan 8.290 nan 0.000 0.544 380 A N -0.010 122.823 122.820 0.021 0.000 2.014 380 A HA 0.406 4.726 4.320 -0.000 0.000 0.218 380 A C 1.596 179.195 177.584 0.025 0.000 1.163 380 A CA 1.939 53.991 52.037 0.024 0.000 0.652 380 A CB -0.339 18.681 19.000 0.033 0.000 0.808 380 A HN 0.688 nan 8.150 nan 0.000 0.449 381 M N 0.529 120.151 119.600 0.036 0.000 2.200 381 M HA 0.450 4.929 4.480 -0.000 0.000 0.355 381 M C -0.960 175.387 176.300 0.080 0.000 1.283 381 M CA 0.575 55.918 55.300 0.071 0.000 1.124 381 M CB 0.087 32.766 32.600 0.132 0.000 1.625 381 M HN 0.126 nan 8.290 nan 0.000 0.463 382 L N 3.336 124.618 121.223 0.098 0.000 2.476 382 L HA 0.433 4.773 4.340 -0.000 0.000 0.269 382 L C -1.130 175.835 176.870 0.159 0.000 0.965 382 L CA -0.530 54.372 54.840 0.104 0.000 0.845 382 L CB 2.101 44.183 42.059 0.038 0.000 1.259 382 L HN 0.733 nan 8.230 nan 0.000 0.403 383 H N 1.470 120.578 119.070 0.063 0.000 2.877 383 H HA 0.500 5.056 4.556 -0.000 0.000 0.347 383 H C -1.643 173.652 175.328 -0.055 0.000 1.042 383 H CA -0.425 55.579 56.048 -0.073 0.000 1.276 383 H CB 1.691 31.276 29.762 -0.295 0.000 1.681 383 H HN 0.449 nan 8.280 nan 0.000 0.521 384 D N 3.013 123.048 120.400 -0.608 0.000 2.217 384 D HA 0.481 5.121 4.640 -0.000 0.000 0.248 384 D C -0.628 175.317 176.300 -0.592 0.000 1.008 384 D CA -0.448 53.291 54.000 -0.434 0.000 0.914 384 D CB 2.354 43.061 40.800 -0.155 0.000 1.182 384 D HN 0.241 nan 8.370 nan 0.000 0.451 385 V N 1.545 121.269 119.914 -0.317 0.000 2.532 385 V HA 0.248 4.368 4.120 -0.000 0.000 0.294 385 V C -0.660 175.353 176.094 -0.135 0.000 1.036 385 V CA -0.711 61.477 62.300 -0.188 0.000 0.876 385 V CB 1.955 33.725 31.823 -0.089 0.000 1.012 385 V HN 0.294 nan 8.190 nan 0.000 0.432 386 V N 5.793 125.643 119.914 -0.106 0.000 2.284 386 V HA 0.405 4.525 4.120 -0.000 0.000 0.274 386 V C 0.273 176.338 176.094 -0.049 0.000 1.023 386 V CA -0.515 61.737 62.300 -0.080 0.000 0.808 386 V CB 1.330 33.110 31.823 -0.072 0.000 1.035 386 V HN 0.727 nan 8.190 nan 0.000 0.445 387 M N 2.893 122.473 119.600 -0.034 0.000 2.248 387 M HA 0.426 4.906 4.480 -0.000 0.000 0.337 387 M C 1.162 177.446 176.300 -0.027 0.000 1.121 387 M CA 1.248 56.532 55.300 -0.026 0.000 1.155 387 M CB 0.146 32.740 32.600 -0.010 0.000 1.514 387 M HN 0.910 nan 8.290 nan 0.000 0.452 388 G N 1.283 110.061 108.800 -0.037 0.000 2.598 388 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.244 388 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.244 388 G C -0.266 174.615 174.900 -0.032 0.000 1.302 388 G CA -0.279 44.798 45.100 -0.038 0.000 0.903 388 G HN 1.231 nan 8.290 nan 0.000 0.575 389 V N -1.419 118.480 119.914 -0.025 0.000 2.763 389 V HA 0.442 4.562 4.120 -0.000 0.000 0.306 389 V C -0.366 175.718 176.094 -0.017 0.000 1.059 389 V CA 0.178 62.466 62.300 -0.021 0.000 1.138 389 V CB 0.875 32.688 31.823 -0.017 0.000 0.940 389 V HN 0.600 nan 8.190 nan 0.000 0.489 390 P HA -0.104 nan 4.420 nan 0.000 0.217 390 P C 1.219 178.515 177.300 -0.007 0.000 1.148 390 P CA 1.454 64.546 63.100 -0.014 0.000 0.828 390 P CB 0.137 31.829 31.700 -0.014 0.000 0.783 391 E N -1.102 119.094 120.200 -0.006 0.000 2.409 391 E HA -0.126 4.224 4.350 -0.000 0.000 0.198 391 E C 1.543 178.147 176.600 0.007 0.000 1.024 391 E CA 0.560 56.959 56.400 -0.002 0.000 0.861 391 E CB -0.947 28.749 29.700 -0.007 0.000 0.788 391 E HN 0.257 nan 8.360 nan 0.000 0.521 392 N N 0.207 118.911 118.700 0.005 0.000 2.364 392 N HA -0.089 4.650 4.740 -0.000 0.000 0.183 392 N C 0.326 175.845 175.510 0.015 0.000 1.022 392 N CA 0.256 53.314 53.050 0.013 0.000 0.883 392 N CB -0.153 38.337 38.487 0.005 0.000 0.965 392 N HN 0.096 nan 8.380 nan 0.000 0.438 393 V N 2.027 121.948 119.914 0.011 0.000 2.617 393 V HA -0.012 4.108 4.120 -0.000 0.000 0.304 393 V C 0.136 176.273 176.094 0.072 0.000 1.040 393 V CA 0.137 62.453 62.300 0.026 0.000 1.149 393 V CB -0.095 31.756 31.823 0.046 0.000 0.914 393 V HN 0.032 nan 8.190 nan 0.000 0.487 394 L N 5.615 126.907 121.223 0.115 0.000 2.335 394 L HA 0.552 4.892 4.340 -0.000 0.000 0.268 394 L C 0.003 177.003 176.870 0.217 0.000 1.016 394 L CA -1.042 53.875 54.840 0.128 0.000 0.805 394 L CB 1.228 43.341 42.059 0.091 0.000 1.311 394 L HN 0.457 nan 8.230 nan 0.000 0.456 395 Q N 1.938 121.802 119.800 0.107 0.000 2.373 395 Q HA 0.246 4.586 4.340 -0.000 0.000 0.255 395 Q C -2.225 173.825 176.000 0.084 0.000 0.980 395 Q CA -1.667 54.172 55.803 0.061 0.000 0.882 395 Q CB 0.506 29.258 28.738 0.023 0.000 1.249 395 Q HN 0.249 nan 8.270 nan 0.000 0.438 396 P HA 0.040 nan 4.420 nan 0.000 0.272 396 P C -0.439 176.946 177.300 0.141 0.000 1.230 396 P CA -0.113 62.998 63.100 0.018 0.000 0.788 396 P CB 0.851 32.450 31.700 -0.168 0.000 0.949 397 T N 0.115 114.800 114.554 0.218 0.000 2.893 397 T HA 0.185 4.535 4.350 -0.000 0.000 0.291 397 T C -0.707 174.175 174.700 0.304 0.000 1.028 397 T CA -0.496 61.781 62.100 0.295 0.000 0.995 397 T CB 0.345 69.426 68.868 0.355 0.000 1.051 397 T HN 0.379 nan 8.240 nan 0.000 0.470 398 H N 5.913 125.143 119.070 0.266 0.000 2.819 398 H HA 0.214 4.770 4.556 -0.000 0.000 0.303 398 H C -1.566 173.965 175.328 0.338 0.000 1.058 398 H CA -1.651 54.565 56.048 0.281 0.000 1.471 398 H CB 1.820 31.779 29.762 0.329 0.000 1.480 398 H HN 0.431 nan 8.280 nan 0.000 0.517 399 P HA -0.125 nan 4.420 nan 0.000 0.225 399 P C 1.212 178.797 177.300 0.475 0.000 1.148 399 P CA 0.548 63.811 63.100 0.272 0.000 0.779 399 P CB 0.642 32.334 31.700 -0.013 0.000 0.780 400 V N -1.645 118.606 119.914 0.561 0.000 2.492 400 V HA -0.089 4.031 4.120 -0.000 0.000 0.241 400 V C 2.208 178.540 176.094 0.397 0.000 1.041 400 V CA 1.439 63.939 62.300 0.333 0.000 1.057 400 V CB -1.087 30.747 31.823 0.018 0.000 0.711 400 V HN -0.041 nan 8.190 nan 0.000 0.468 401 Y N -0.531 120.119 120.300 0.583 0.000 2.503 401 Y HA 0.250 4.800 4.550 -0.000 0.000 0.278 401 Y C 1.402 177.519 175.900 0.361 0.000 1.111 401 Y CA 0.296 58.642 58.100 0.411 0.000 1.270 401 Y CB 0.030 38.535 38.460 0.075 0.000 1.063 401 Y HN 0.366 nan 8.280 nan 0.000 0.548 402 N N 1.026 120.031 118.700 0.508 0.000 2.738 402 N HA -0.200 4.540 4.740 -0.000 0.000 0.249 402 N C -0.913 174.514 175.510 -0.138 0.000 1.047 402 N CA 0.977 54.127 53.050 0.167 0.000 0.707 402 N CB -1.480 36.896 38.487 -0.185 0.000 0.937 402 N HN 0.635 nan 8.380 nan 0.000 0.545 403 I N -4.353 116.296 120.570 0.132 0.000 3.095 403 I HA 0.737 4.907 4.170 -0.000 0.000 0.310 403 I C 0.975 177.251 176.117 0.266 0.000 1.196 403 I CA -1.033 60.348 61.300 0.135 0.000 0.985 403 I CB 1.549 39.599 38.000 0.083 0.000 1.250 403 I HN 0.002 nan 8.210 nan 0.000 0.446 404 G N 2.381 111.326 108.800 0.241 0.000 2.321 404 G HA2 0.269 4.229 3.960 -0.000 0.000 0.237 404 G HA3 0.269 4.229 3.960 -0.000 0.000 0.237 404 G C -1.953 173.060 174.900 0.188 0.000 1.282 404 G CA -0.682 44.535 45.100 0.196 0.000 0.886 404 G HN 0.608 nan 8.290 nan 0.000 0.528 405 P HA -0.134 nan 4.420 nan 0.000 0.217 405 P C 1.575 178.968 177.300 0.155 0.000 1.148 405 P CA 1.520 64.780 63.100 0.267 0.000 0.828 405 P CB 0.207 32.036 31.700 0.215 0.000 0.783 406 D N -0.650 119.813 120.400 0.105 0.000 2.183 406 D HA -0.155 4.485 4.640 -0.000 0.000 0.203 406 D C 1.412 177.747 176.300 0.059 0.000 0.969 406 D CA 1.110 55.152 54.000 0.070 0.000 0.842 406 D CB -0.491 40.341 40.800 0.052 0.000 0.957 406 D HN 0.096 nan 8.370 nan 0.000 0.484 407 K N 0.894 121.331 120.400 0.062 0.000 2.103 407 K HA 0.009 4.329 4.320 -0.000 0.000 0.204 407 K C 2.501 179.105 176.600 0.007 0.000 1.052 407 K CA 0.271 56.588 56.287 0.050 0.000 0.945 407 K CB -0.640 31.890 32.500 0.050 0.000 0.722 407 K HN 0.161 nan 8.250 nan 0.000 0.443 408 V N 2.183 122.072 119.914 -0.042 0.000 2.237 408 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 408 V C 2.430 178.462 176.094 -0.102 0.000 1.046 408 V CA 1.616 63.801 62.300 -0.191 0.000 1.007 408 V CB -0.437 31.214 31.823 -0.287 0.000 0.638 408 V HN 0.169 nan 8.190 nan 0.000 0.445 409 I N -0.401 120.162 120.570 -0.010 0.000 2.127 409 I HA -0.360 3.809 4.170 -0.000 0.000 0.241 409 I C 2.699 178.820 176.117 0.005 0.000 1.075 409 I CA 2.147 63.455 61.300 0.014 0.000 1.334 409 I CB -0.496 37.532 38.000 0.047 0.000 1.040 409 I HN 0.409 nan 8.210 nan 0.000 0.405 410 Q N 0.828 120.643 119.800 0.025 0.000 2.061 410 Q HA -0.263 4.077 4.340 -0.000 0.000 0.204 410 Q C 2.323 178.315 176.000 -0.015 0.000 0.984 410 Q CA 2.297 58.124 55.803 0.040 0.000 0.846 410 Q CB -0.129 28.667 28.738 0.096 0.000 0.902 410 Q HN 0.565 nan 8.270 nan 0.000 0.421 411 A N 0.326 123.143 122.820 -0.005 0.000 1.858 411 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 411 A C 2.311 179.870 177.584 -0.043 0.000 1.190 411 A CA 2.432 54.397 52.037 -0.121 0.000 0.617 411 A CB -1.467 17.583 19.000 0.083 0.000 0.827 411 A HN 0.699 nan 8.150 nan 0.000 0.443 412 T N -2.801 111.743 114.554 -0.017 0.000 2.684 412 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 412 T C 1.824 176.522 174.700 -0.004 0.000 1.036 412 T CA 2.298 64.405 62.100 0.011 0.000 1.148 412 T CB -1.299 67.554 68.868 -0.025 0.000 0.863 412 T HN 0.338 nan 8.240 nan 0.000 0.436 413 T N 0.889 115.423 114.554 -0.033 0.000 2.684 413 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 413 T C 1.731 176.369 174.700 -0.103 0.000 1.036 413 T CA 1.928 64.001 62.100 -0.046 0.000 1.148 413 T CB -0.670 68.183 68.868 -0.026 0.000 0.863 413 T HN 0.801 nan 8.240 nan 0.000 0.436 414 H N 0.215 119.108 119.070 -0.295 0.000 2.319 414 H HA -0.028 4.528 4.556 -0.000 0.000 0.299 414 H C 1.752 176.788 175.328 -0.486 0.000 1.092 414 H CA 1.663 57.425 56.048 -0.476 0.000 1.302 414 H CB -0.558 28.670 29.762 -0.890 0.000 1.373 414 H HN 0.433 nan 8.280 nan 0.000 0.497 415 F N -0.229 119.536 119.950 -0.308 0.000 2.502 415 F HA -0.001 4.526 4.527 -0.000 0.000 0.298 415 F C 2.050 177.720 175.800 -0.218 0.000 1.111 415 F CA 0.281 58.114 58.000 -0.279 0.000 1.445 415 F CB 0.044 38.950 39.000 -0.157 0.000 1.081 415 F HN 0.154 nan 8.300 nan 0.000 0.558 416 L N -0.373 120.823 121.223 -0.046 0.000 2.465 416 L HA -0.154 4.186 4.340 -0.000 0.000 0.224 416 L C 1.987 178.795 176.870 -0.104 0.000 1.145 416 L CA 0.815 55.625 54.840 -0.050 0.000 0.834 416 L CB -0.415 41.622 42.059 -0.036 0.000 0.944 416 L HN 0.225 nan 8.230 nan 0.000 0.451 417 Q N -0.265 119.424 119.800 -0.185 0.000 2.245 417 Q HA -0.072 4.268 4.340 -0.000 0.000 0.201 417 Q C 0.317 176.213 176.000 -0.173 0.000 0.955 417 Q CA 0.785 56.472 55.803 -0.194 0.000 0.870 417 Q CB 0.216 28.788 28.738 -0.277 0.000 0.945 417 Q HN 0.269 nan 8.270 nan 0.000 0.461 418 K N 1.209 121.512 120.400 -0.162 0.000 2.098 418 K HA 0.234 4.554 4.320 -0.000 0.000 0.261 418 K C -2.400 174.136 176.600 -0.106 0.000 0.987 418 K CA -1.987 54.234 56.287 -0.110 0.000 0.916 418 K CB 0.630 33.109 32.500 -0.034 0.000 1.039 418 K HN -0.098 nan 8.250 nan 0.000 0.455 419 P HA 0.136 nan 4.420 nan 0.000 0.284 419 P C -0.667 176.580 177.300 -0.088 0.000 1.258 419 P CA -0.590 62.388 63.100 -0.203 0.000 0.824 419 P CB 0.971 32.374 31.700 -0.495 0.000 1.038 420 V N 4.329 124.212 119.914 -0.052 0.000 2.540 420 V HA -0.003 4.117 4.120 -0.000 0.000 0.297 420 V C -1.811 174.316 176.094 0.055 0.000 1.024 420 V CA -0.721 61.584 62.300 0.009 0.000 1.105 420 V CB -0.816 31.020 31.823 0.021 0.000 0.938 420 V HN 0.583 nan 8.190 nan 0.000 0.482 421 P HA 0.081 nan 4.420 nan 0.000 0.259 421 P C 0.982 178.372 177.300 0.150 0.000 1.155 421 P CA 1.801 64.973 63.100 0.120 0.000 0.759 421 P CB 0.157 31.912 31.700 0.092 0.000 0.753 422 G N 1.845 110.769 108.800 0.207 0.000 2.307 422 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.210 422 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.210 422 G C 0.246 175.337 174.900 0.318 0.000 1.005 422 G CA -0.197 45.008 45.100 0.176 0.000 0.634 422 G HN 0.583 nan 8.290 nan 0.000 0.496 423 F N 0.000 119.961 119.950 0.019 0.000 2.286 423 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 423 F CA 0.000 58.009 58.000 0.015 0.000 1.383 423 F CB 0.000 39.006 39.000 0.010 0.000 1.145 423 F HN 0.000 nan 8.300 nan 0.000 0.574