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 3cig_1_A DATA FIRST_RESID 27 DATA SEQUENCE QcTVRYNVAD cSHLKLTHIP DDLPSNITVL NLTHNQLRRL PPTNFTRYSQ DATA SEQUENCE LAILDAGFNS ISKLEPELcQ ILPLLKVLNL QHNELSQISD QTFVFcTNLT DATA SEQUENCE ELDLMSNSIH KIKSNPFKNQ KNLIKLDLSH NGLSSTKLGT GVQLENLQEL DATA SEQUENCE LLAKNKILAL RSEELEFLGN SSLRKLDLSS NPLKEFSPGC FQTIGKLFAL DATA SEQUENCE LLNNAQLNPH LTEKLCWELS NTSIQNLSLA NNQLLATSES TFSGLKWTNL DATA SEQUENCE TQLDLSYNNL HDVGNGSFSY LPSLRYLSLE YNNIQRLSPR SFYGLSNLRY DATA SEQUENCE LSLKRAFTKQ SVSLASHPNI DDFSFQWLKY LEYLNMDDNN IPSTKSNTFT DATA SEQUENCE GLVSLKYLSL SKTFTSLQTL TNETFVSLAH SPLLTLNLTK NHISKIANGT DATA SEQUENCE FSWLGQLRIL DLGLNEIEQK LSGQEWRGLR NIFEIYLSYN KYLQLSTSSF DATA SEQUENCE ALVPSLQRLM LRRVALKNVD ISPSPFRPLR NLTILDLSNN NIANINEDLL DATA SEQUENCE EGLENLEILD FQHNNLARLW XXXXXXXXVN FLKGLSHLHI LNLESNGLDE DATA SEQUENCE IPVGVFKNLF ELKSINLGLN NLNKLEPFIF DDQTSLRSLN LQKNLITSVE DATA SEQUENCE KDVFGPPFQN LNSLDMRFNP FDcTcESISW FVNWINQTHT NISELSTHYL DATA SEQUENCE cNTPHHYYGF PLKLFDTSSc K 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 27 Q HA 0.000 nan 4.340 nan 0.000 0.214 27 Q C 0.000 176.010 176.000 0.017 0.000 1.003 27 Q CA 0.000 55.813 55.803 0.017 0.000 1.022 27 Q CB 0.000 28.748 28.738 0.017 0.000 1.108 28 c N 1.818 120.428 118.600 0.017 0.000 2.653 28 c HA 0.328 4.897 4.570 -0.001 0.000 0.421 28 c C 0.483 174.581 174.090 0.015 0.000 1.334 28 c CA -0.045 56.294 56.329 0.016 0.000 1.885 28 c CB -0.586 41.932 42.510 0.013 0.000 2.645 28 c HN 0.423 nan 8.230 nan 0.000 0.601 29 T N 2.719 117.282 114.554 0.015 0.000 2.837 29 T HA 0.464 4.813 4.350 -0.001 0.000 0.285 29 T C -0.234 174.475 174.700 0.015 0.000 0.984 29 T CA -0.389 61.719 62.100 0.013 0.000 1.049 29 T CB 1.023 69.899 68.868 0.014 0.000 0.947 29 T HN 0.463 nan 8.240 nan 0.000 0.472 30 V N 4.814 124.735 119.914 0.012 0.000 2.305 30 V HA 0.358 4.478 4.120 -0.001 0.000 0.275 30 V C 0.519 176.618 176.094 0.009 0.000 1.020 30 V CA -0.938 61.369 62.300 0.012 0.000 0.811 30 V CB 0.813 32.640 31.823 0.006 0.000 1.031 30 V HN 0.703 nan 8.190 nan 0.000 0.439 31 R N 1.463 121.983 120.500 0.033 0.000 2.879 31 R HA 0.299 4.638 4.340 -0.001 0.000 0.219 31 R C -0.184 176.153 176.300 0.061 0.000 1.167 31 R CA -0.583 55.555 56.100 0.063 0.000 1.062 31 R CB 0.242 30.606 30.300 0.107 0.000 1.093 31 R HN 0.491 nan 8.270 nan 0.000 0.510 32 Y N 3.288 123.594 120.300 0.009 0.000 2.834 32 Y HA -0.185 4.364 4.550 -0.001 0.000 0.355 32 Y C 1.157 177.066 175.900 0.015 0.000 1.287 32 Y CA 1.291 59.398 58.100 0.011 0.000 1.647 32 Y CB -0.557 37.908 38.460 0.008 0.000 1.221 32 Y HN 0.660 nan 8.280 nan 0.000 0.519 33 N N 0.296 119.034 118.700 0.063 0.000 2.690 33 N HA -0.237 4.502 4.740 -0.001 0.000 0.249 33 N C -0.874 174.674 175.510 0.063 0.000 1.125 33 N CA 0.892 53.982 53.050 0.066 0.000 0.794 33 N CB -2.095 36.446 38.487 0.090 0.000 1.152 33 N HN 0.362 nan 8.380 nan 0.000 0.571 34 V N -4.426 115.523 119.914 0.059 0.000 2.588 34 V HA 0.912 5.032 4.120 -0.001 0.000 0.304 34 V C 0.056 176.168 176.094 0.031 0.000 1.042 34 V CA -0.494 61.834 62.300 0.046 0.000 0.877 34 V CB 1.887 33.742 31.823 0.055 0.000 0.996 34 V HN 0.484 nan 8.190 nan 0.000 0.425 35 A N 3.422 126.251 122.820 0.015 0.000 2.511 35 A HA 0.598 4.917 4.320 -0.001 0.000 0.340 35 A C -0.303 177.284 177.584 0.005 0.000 1.396 35 A CA -0.311 51.728 52.037 0.004 0.000 0.887 35 A CB 0.227 19.215 19.000 -0.021 0.000 1.145 35 A HN 0.997 nan 8.150 nan 0.000 0.497 36 D N 1.965 122.376 120.400 0.017 0.000 2.295 36 D HA 0.310 4.950 4.640 -0.001 0.000 0.248 36 D C -0.398 175.917 176.300 0.025 0.000 1.154 36 D CA -0.143 53.873 54.000 0.025 0.000 0.857 36 D CB 0.704 41.523 40.800 0.032 0.000 1.117 36 D HN 0.353 nan 8.370 nan 0.000 0.468 37 c N 3.927 122.544 118.600 0.028 0.000 3.465 37 c HA 0.315 4.885 4.570 -0.001 0.000 0.193 37 c C 1.538 175.652 174.090 0.039 0.000 1.515 37 c CA -0.711 55.636 56.329 0.029 0.000 1.340 37 c CB -0.865 41.655 42.510 0.017 0.000 1.928 37 c HN 0.541 nan 8.230 nan 0.000 0.510 38 S N 0.785 116.524 115.700 0.064 0.000 2.310 38 S HA -0.062 4.408 4.470 -0.001 0.000 0.201 38 S C 0.493 175.105 174.600 0.019 0.000 1.032 38 S CA 1.162 59.407 58.200 0.076 0.000 0.993 38 S CB -0.255 63.052 63.200 0.179 0.000 0.970 38 S HN 0.789 nan 8.310 nan 0.000 0.446 39 H N 0.828 119.887 119.070 -0.018 0.000 2.483 39 H HA 0.393 4.948 4.556 -0.001 0.000 0.224 39 H C -0.199 175.120 175.328 -0.015 0.000 1.690 39 H CA -0.191 55.839 56.048 -0.031 0.000 1.217 39 H CB -0.118 29.587 29.762 -0.095 0.000 1.619 39 H HN 0.078 nan 8.280 nan 0.000 0.528 40 L N 0.027 121.292 121.223 0.069 0.000 2.556 40 L HA 0.175 4.514 4.340 -0.001 0.000 0.226 40 L C 0.973 177.861 176.870 0.030 0.000 1.089 40 L CA 0.262 55.129 54.840 0.046 0.000 0.864 40 L CB -0.012 42.068 42.059 0.034 0.000 1.067 40 L HN 0.317 nan 8.230 nan 0.000 0.477 41 K N 0.252 120.664 120.400 0.021 0.000 3.251 41 K HA -0.142 4.177 4.320 -0.001 0.000 0.282 41 K C -0.213 176.383 176.600 -0.007 0.000 1.201 41 K CA 0.089 56.381 56.287 0.008 0.000 0.827 41 K CB -1.943 30.565 32.500 0.013 0.000 1.286 41 K HN 0.234 nan 8.250 nan 0.000 0.503 42 L N 0.151 121.369 121.223 -0.007 0.000 2.482 42 L HA 0.031 4.370 4.340 -0.001 0.000 0.273 42 L C 1.828 178.653 176.870 -0.074 0.000 1.228 42 L CA 1.271 56.098 54.840 -0.022 0.000 0.827 42 L CB 0.101 42.159 42.059 -0.001 0.000 1.099 42 L HN 0.385 nan 8.230 nan 0.000 0.494 43 T N -4.277 110.179 114.554 -0.163 0.000 3.130 43 T HA 0.236 4.585 4.350 -0.001 0.000 0.288 43 T C 0.280 174.698 174.700 -0.470 0.000 0.936 43 T CA -0.329 61.580 62.100 -0.319 0.000 0.897 43 T CB 0.077 68.681 68.868 -0.439 0.000 1.178 43 T HN 0.516 nan 8.240 nan 0.000 0.543 44 H N 0.550 119.610 119.070 -0.017 0.000 2.865 44 H HA 0.509 5.064 4.556 -0.001 0.000 0.372 44 H C -0.972 174.329 175.328 -0.045 0.000 1.173 44 H CA -1.184 54.845 56.048 -0.033 0.000 1.147 44 H CB 2.387 32.132 29.762 -0.029 0.000 1.805 44 H HN 0.224 nan 8.280 nan 0.000 0.553 45 I N 4.240 124.843 120.570 0.055 0.000 2.312 45 I HA 0.243 4.412 4.170 -0.001 0.000 0.291 45 I C -2.151 173.958 176.117 -0.013 0.000 1.031 45 I CA -1.712 59.562 61.300 -0.044 0.000 1.293 45 I CB 1.174 39.045 38.000 -0.216 0.000 1.403 45 I HN 0.247 nan 8.210 nan 0.000 0.484 46 P HA 0.211 nan 4.420 nan 0.000 0.275 46 P C -1.019 176.345 177.300 0.108 0.000 1.227 46 P CA -0.056 63.066 63.100 0.037 0.000 0.781 46 P CB 1.090 32.804 31.700 0.024 0.000 0.906 47 D N -0.054 120.417 120.400 0.117 0.000 2.455 47 D HA -0.087 4.553 4.640 -0.001 0.000 0.228 47 D C 1.171 177.555 176.300 0.139 0.000 1.070 47 D CA 0.134 54.239 54.000 0.175 0.000 0.881 47 D CB -0.610 40.225 40.800 0.057 0.000 1.087 47 D HN 0.326 nan 8.370 nan 0.000 0.498 48 D N 1.751 122.201 120.400 0.083 0.000 2.170 48 D HA -0.204 4.435 4.640 -0.001 0.000 0.193 48 D C 0.800 177.150 176.300 0.083 0.000 1.004 48 D CA 0.728 54.764 54.000 0.059 0.000 0.860 48 D CB -0.495 40.328 40.800 0.038 0.000 0.931 48 D HN 0.133 nan 8.370 nan 0.000 0.448 49 L N 1.437 122.735 121.223 0.125 0.000 2.503 49 L HA 0.097 4.436 4.340 -0.001 0.000 0.287 49 L C -1.633 175.331 176.870 0.157 0.000 1.252 49 L CA -0.932 53.985 54.840 0.129 0.000 0.835 49 L CB -1.530 40.601 42.059 0.119 0.000 1.099 49 L HN -0.050 nan 8.230 nan 0.000 0.516 50 P HA -0.009 nan 4.420 nan 0.000 0.272 50 P C 0.342 177.729 177.300 0.146 0.000 1.243 50 P CA 0.162 63.318 63.100 0.093 0.000 0.803 50 P CB 0.364 32.101 31.700 0.061 0.000 0.974 51 S N -2.056 113.689 115.700 0.075 0.000 2.559 51 S HA 0.149 4.619 4.470 -0.001 0.000 0.226 51 S C 0.588 175.234 174.600 0.076 0.000 1.000 51 S CA -0.039 58.202 58.200 0.068 0.000 0.948 51 S CB -0.761 62.428 63.200 -0.019 0.000 0.870 51 S HN 0.265 nan 8.310 nan 0.000 0.497 52 N N 2.266 121.005 118.700 0.065 0.000 2.320 52 N HA 0.374 5.113 4.740 -0.001 0.000 0.237 52 N C -0.204 175.342 175.510 0.059 0.000 1.129 52 N CA -0.256 52.824 53.050 0.049 0.000 0.854 52 N CB 0.228 38.728 38.487 0.021 0.000 1.083 52 N HN 0.708 nan 8.380 nan 0.000 0.504 53 I N -2.759 117.866 120.570 0.092 0.000 2.488 53 I HA 0.498 4.667 4.170 -0.001 0.000 0.299 53 I C 0.395 176.563 176.117 0.085 0.000 0.984 53 I CA -0.736 60.614 61.300 0.083 0.000 1.250 53 I CB 1.746 39.795 38.000 0.082 0.000 1.389 53 I HN -0.095 nan 8.210 nan 0.000 0.488 54 T N 1.238 115.831 114.554 0.066 0.000 3.380 54 T HA 0.614 4.963 4.350 -0.001 0.000 0.289 54 T C -0.074 174.653 174.700 0.045 0.000 1.012 54 T CA -0.358 61.776 62.100 0.058 0.000 0.944 54 T CB -0.448 68.452 68.868 0.053 0.000 1.172 54 T HN 0.476 nan 8.240 nan 0.000 0.502 55 V N 0.598 120.535 119.914 0.039 0.000 3.253 55 V HA 0.680 4.799 4.120 -0.001 0.000 0.300 55 V C -1.583 174.515 176.094 0.007 0.000 1.398 55 V CA -1.207 61.108 62.300 0.026 0.000 1.067 55 V CB 2.680 34.523 31.823 0.033 0.000 1.102 55 V HN 0.447 nan 8.190 nan 0.000 0.455 56 L N 2.650 123.875 121.223 0.003 0.000 3.007 56 L HA 0.329 4.669 4.340 -0.001 0.000 0.237 56 L C -1.335 175.541 176.870 0.010 0.000 0.965 56 L CA -0.183 54.648 54.840 -0.015 0.000 1.116 56 L CB 0.976 43.008 42.059 -0.044 0.000 1.491 56 L HN 0.792 nan 8.230 nan 0.000 0.565 57 N N 4.859 123.570 118.700 0.019 0.000 2.482 57 N HA 0.257 4.996 4.740 -0.001 0.000 0.242 57 N C -0.005 175.527 175.510 0.037 0.000 1.100 57 N CA -0.102 52.970 53.050 0.036 0.000 0.946 57 N CB 0.772 39.285 38.487 0.043 0.000 1.227 57 N HN 0.694 nan 8.380 nan 0.000 0.508 58 L N 2.321 123.571 121.223 0.045 0.000 2.912 58 L HA 0.164 4.504 4.340 -0.001 0.000 0.240 58 L C 0.551 177.450 176.870 0.049 0.000 1.262 58 L CA -0.136 54.731 54.840 0.045 0.000 1.058 58 L CB -0.071 42.022 42.059 0.058 0.000 1.383 58 L HN 0.286 nan 8.230 nan 0.000 0.512 59 T N -0.213 114.376 114.554 0.057 0.000 2.946 59 T HA -0.027 4.322 4.350 -0.001 0.000 0.311 59 T C 0.565 175.282 174.700 0.028 0.000 1.063 59 T CA 0.386 62.525 62.100 0.064 0.000 1.139 59 T CB 0.015 68.941 68.868 0.096 0.000 0.994 59 T HN 0.360 nan 8.240 nan 0.000 0.547 60 H N 1.324 120.348 119.070 -0.077 0.000 2.826 60 H HA -0.150 4.406 4.556 -0.001 0.000 0.306 60 H C 0.423 175.640 175.328 -0.185 0.000 1.235 60 H CA 0.527 56.433 56.048 -0.237 0.000 1.150 60 H CB -1.148 28.171 29.762 -0.739 0.000 1.409 60 H HN 0.594 nan 8.280 nan 0.000 0.420 61 N N -0.107 118.599 118.700 0.011 0.000 3.014 61 N HA 0.272 5.011 4.740 -0.001 0.000 0.307 61 N C 0.962 176.478 175.510 0.009 0.000 1.362 61 N CA -0.201 52.852 53.050 0.004 0.000 0.714 61 N CB 0.582 39.070 38.487 0.002 0.000 1.349 61 N HN 0.230 nan 8.380 nan 0.000 0.452 62 Q N -0.233 119.564 119.800 -0.006 0.000 2.023 62 Q HA 0.292 4.631 4.340 -0.001 0.000 0.211 62 Q C -1.101 174.880 176.000 -0.033 0.000 0.787 62 Q CA -0.282 55.512 55.803 -0.016 0.000 1.035 62 Q CB 0.777 29.499 28.738 -0.027 0.000 1.221 62 Q HN 0.214 nan 8.270 nan 0.000 0.443 63 L N 1.357 122.566 121.223 -0.024 0.000 2.540 63 L HA 0.001 4.340 4.340 -0.001 0.000 0.276 63 L C 1.635 178.492 176.870 -0.021 0.000 1.212 63 L CA 0.967 55.789 54.840 -0.030 0.000 0.893 63 L CB 0.020 42.081 42.059 0.003 0.000 1.138 63 L HN 0.126 nan 8.230 nan 0.000 0.491 64 R N 1.880 122.360 120.500 -0.033 0.000 2.088 64 R HA -0.067 4.272 4.340 -0.001 0.000 0.232 64 R C 0.615 176.913 176.300 -0.004 0.000 1.136 64 R CA 1.548 57.636 56.100 -0.019 0.000 0.926 64 R CB 0.030 30.319 30.300 -0.019 0.000 0.837 64 R HN 0.699 nan 8.270 nan 0.000 0.429 65 R N -0.414 120.092 120.500 0.009 0.000 2.902 65 R HA 0.233 4.572 4.340 -0.001 0.000 0.264 65 R C -1.514 174.821 176.300 0.058 0.000 1.059 65 R CA -0.652 55.464 56.100 0.027 0.000 0.935 65 R CB 0.376 30.686 30.300 0.016 0.000 1.325 65 R HN 0.068 nan 8.270 nan 0.000 0.438 66 L N 1.063 122.349 121.223 0.105 0.000 2.445 66 L HA 0.459 4.799 4.340 -0.001 0.000 0.252 66 L C -2.273 174.736 176.870 0.232 0.000 1.105 66 L CA -2.047 52.923 54.840 0.217 0.000 0.943 66 L CB 1.418 43.725 42.059 0.414 0.000 1.277 66 L HN 0.250 nan 8.230 nan 0.000 0.465 67 P HA 0.002 nan 4.420 nan 0.000 0.261 67 P C -1.793 175.595 177.300 0.146 0.000 1.183 67 P CA -0.723 62.419 63.100 0.069 0.000 0.761 67 P CB 0.181 31.885 31.700 0.005 0.000 0.785 68 P HA -0.108 nan 4.420 nan 0.000 0.251 68 P C 0.785 178.168 177.300 0.139 0.000 1.251 68 P CA 1.115 64.311 63.100 0.160 0.000 0.763 68 P CB -0.235 31.485 31.700 0.033 0.000 1.067 69 T N -4.613 109.996 114.554 0.093 0.000 2.978 69 T HA 0.103 4.453 4.350 -0.001 0.000 0.248 69 T C 1.323 176.033 174.700 0.016 0.000 1.018 69 T CA 0.147 62.272 62.100 0.041 0.000 1.026 69 T CB -0.886 67.982 68.868 0.001 0.000 1.032 69 T HN -0.108 nan 8.240 nan 0.000 0.485 70 N N 0.494 119.158 118.700 -0.060 0.000 2.515 70 N HA 0.264 5.004 4.740 -0.001 0.000 0.191 70 N C -0.057 175.357 175.510 -0.161 0.000 1.182 70 N CA 0.251 53.201 53.050 -0.166 0.000 0.879 70 N CB -0.308 38.017 38.487 -0.271 0.000 0.984 70 N HN 0.401 nan 8.380 nan 0.000 0.453 71 F N -0.892 119.143 119.950 0.141 0.000 2.653 71 F HA 0.224 4.750 4.527 -0.001 0.000 0.304 71 F C 1.709 177.595 175.800 0.142 0.000 1.092 71 F CA -0.007 58.149 58.000 0.259 0.000 1.279 71 F CB -0.047 39.053 39.000 0.168 0.000 1.044 71 F HN -0.044 nan 8.300 nan 0.000 0.564 72 T N -0.546 114.075 114.554 0.112 0.000 2.777 72 T HA -0.178 4.171 4.350 -0.001 0.000 0.266 72 T C 2.339 176.941 174.700 -0.163 0.000 1.040 72 T CA 0.867 62.964 62.100 -0.006 0.000 1.141 72 T CB -0.141 68.703 68.868 -0.040 0.000 0.868 72 T HN 0.090 nan 8.240 nan 0.000 0.444 73 R N 1.327 121.557 120.500 -0.451 0.000 2.139 73 R HA -0.122 4.217 4.340 -0.001 0.000 0.243 73 R C 0.032 175.955 176.300 -0.629 0.000 1.145 73 R CA 1.317 57.013 56.100 -0.674 0.000 0.976 73 R CB -0.352 29.361 30.300 -0.978 0.000 0.866 73 R HN 0.591 nan 8.270 nan 0.000 0.449 74 Y N -1.236 119.108 120.300 0.073 0.000 2.553 74 Y HA 0.382 4.931 4.550 -0.001 0.000 0.369 74 Y C 0.737 176.687 175.900 0.083 0.000 0.964 74 Y CA -0.941 57.205 58.100 0.077 0.000 1.156 74 Y CB 0.191 38.709 38.460 0.096 0.000 1.218 74 Y HN -0.221 nan 8.280 nan 0.000 0.630 75 S N 0.606 116.384 115.700 0.129 0.000 2.803 75 S HA -0.039 4.431 4.470 -0.001 0.000 0.226 75 S C 1.300 175.957 174.600 0.094 0.000 0.962 75 S CA 0.505 58.771 58.200 0.109 0.000 0.968 75 S CB -0.129 63.104 63.200 0.055 0.000 0.786 75 S HN 0.529 nan 8.310 nan 0.000 0.527 76 Q N 0.485 120.358 119.800 0.121 0.000 2.247 76 Q HA 0.278 4.617 4.340 -0.001 0.000 0.204 76 Q C -0.179 175.875 176.000 0.089 0.000 0.872 76 Q CA -0.050 55.808 55.803 0.092 0.000 0.951 76 Q CB 0.207 28.998 28.738 0.088 0.000 1.099 76 Q HN 0.509 nan 8.270 nan 0.000 0.501 77 L N 1.078 122.361 121.223 0.100 0.000 2.530 77 L HA 0.021 4.360 4.340 -0.001 0.000 0.273 77 L C 1.195 178.085 176.870 0.032 0.000 1.141 77 L CA -0.188 54.691 54.840 0.065 0.000 0.905 77 L CB 0.648 42.733 42.059 0.044 0.000 1.202 77 L HN 0.091 nan 8.230 nan 0.000 0.473 78 A N 6.008 128.847 122.820 0.032 0.000 1.984 78 A HA 0.171 4.490 4.320 -0.001 0.000 0.214 78 A C 0.844 178.438 177.584 0.015 0.000 1.173 78 A CA 0.567 52.620 52.037 0.025 0.000 0.673 78 A CB 0.140 19.158 19.000 0.031 0.000 0.830 78 A HN 0.675 nan 8.150 nan 0.000 0.453 79 I N -1.885 118.692 120.570 0.011 0.000 2.531 79 I HA 0.518 4.687 4.170 -0.001 0.000 0.283 79 I C -1.494 174.620 176.117 -0.004 0.000 1.083 79 I CA -0.753 60.551 61.300 0.006 0.000 1.071 79 I CB 1.428 39.438 38.000 0.016 0.000 1.210 79 I HN 0.044 nan 8.210 nan 0.000 0.450 80 L N 6.727 127.935 121.223 -0.025 0.000 2.257 80 L HA 0.491 4.830 4.340 -0.001 0.000 0.290 80 L C -0.863 176.005 176.870 -0.004 0.000 1.044 80 L CA -0.050 54.767 54.840 -0.040 0.000 0.810 80 L CB 0.799 42.780 42.059 -0.130 0.000 1.193 80 L HN 0.665 nan 8.230 nan 0.000 0.425 81 D N 5.004 125.416 120.400 0.021 0.000 2.462 81 D HA 0.322 4.961 4.640 -0.001 0.000 0.249 81 D C -0.089 176.245 176.300 0.057 0.000 1.117 81 D CA -0.196 53.829 54.000 0.042 0.000 0.900 81 D CB 1.712 42.542 40.800 0.050 0.000 1.039 81 D HN 0.594 nan 8.370 nan 0.000 0.516 82 A N 2.862 125.715 122.820 0.055 0.000 2.827 82 A HA 0.537 4.856 4.320 -0.001 0.000 0.300 82 A C 0.964 178.584 177.584 0.059 0.000 1.237 82 A CA -0.391 51.684 52.037 0.064 0.000 0.964 82 A CB 0.033 19.074 19.000 0.069 0.000 1.143 82 A HN 0.445 nan 8.150 nan 0.000 0.554 83 G N -0.983 107.870 108.800 0.089 0.000 2.380 83 G HA2 0.386 4.345 3.960 -0.001 0.000 0.242 83 G HA3 0.386 4.345 3.960 -0.001 0.000 0.242 83 G C 0.021 175.039 174.900 0.197 0.000 1.298 83 G CA -0.097 45.065 45.100 0.103 0.000 0.878 83 G HN 0.712 nan 8.290 nan 0.000 0.542 84 F N 0.474 120.353 119.950 -0.118 0.000 2.744 84 F HA -0.186 4.340 4.527 -0.001 0.000 0.377 84 F C 0.659 176.376 175.800 -0.138 0.000 1.069 84 F CA 0.429 58.304 58.000 -0.208 0.000 1.211 84 F CB -1.696 36.918 39.000 -0.644 0.000 1.606 84 F HN 0.587 nan 8.300 nan 0.000 0.781 85 N N -0.973 117.758 118.700 0.052 0.000 3.513 85 N HA 0.501 5.240 4.740 -0.001 0.000 0.351 85 N C 0.411 175.938 175.510 0.029 0.000 1.624 85 N CA -0.169 52.904 53.050 0.039 0.000 0.712 85 N CB 1.407 39.911 38.487 0.029 0.000 2.106 85 N HN -0.049 nan 8.380 nan 0.000 0.649 86 S N 0.156 115.864 115.700 0.013 0.000 2.629 86 S HA 0.306 4.776 4.470 -0.001 0.000 0.236 86 S C 0.280 174.875 174.600 -0.007 0.000 1.010 86 S CA -0.353 57.849 58.200 0.004 0.000 0.981 86 S CB 0.113 63.314 63.200 0.001 0.000 0.919 86 S HN 0.331 nan 8.310 nan 0.000 0.514 87 I N 3.430 123.998 120.570 -0.004 0.000 3.076 87 I HA -0.167 4.002 4.170 -0.001 0.000 0.321 87 I C 1.476 177.581 176.117 -0.020 0.000 1.216 87 I CA 0.671 61.967 61.300 -0.005 0.000 1.460 87 I CB 0.268 38.270 38.000 0.003 0.000 1.313 87 I HN 0.273 nan 8.210 nan 0.000 0.546 88 S N 4.735 120.422 115.700 -0.021 0.000 2.641 88 S HA 0.238 4.707 4.470 -0.001 0.000 0.239 88 S C 0.339 174.916 174.600 -0.039 0.000 1.081 88 S CA -0.364 57.818 58.200 -0.031 0.000 0.904 88 S CB 0.273 63.456 63.200 -0.029 0.000 0.803 88 S HN 0.634 nan 8.310 nan 0.000 0.510 89 K N 0.514 120.891 120.400 -0.039 0.000 2.443 89 K HA 0.703 5.022 4.320 -0.001 0.000 0.251 89 K C -1.933 174.629 176.600 -0.064 0.000 0.972 89 K CA -0.944 55.309 56.287 -0.057 0.000 0.833 89 K CB 2.080 34.547 32.500 -0.054 0.000 1.317 89 K HN 0.194 nan 8.250 nan 0.000 0.441 90 L N 1.443 122.598 121.223 -0.112 0.000 2.325 90 L HA 0.348 4.687 4.340 -0.001 0.000 0.281 90 L C -0.995 175.790 176.870 -0.142 0.000 1.004 90 L CA -0.222 54.538 54.840 -0.135 0.000 0.823 90 L CB 1.585 43.503 42.059 -0.235 0.000 1.236 90 L HN 0.625 nan 8.230 nan 0.000 0.415 91 E N 6.249 126.395 120.200 -0.090 0.000 2.259 91 E HA 0.257 4.607 4.350 -0.001 0.000 0.281 91 E C -1.798 174.738 176.600 -0.107 0.000 1.037 91 E CA -1.544 54.806 56.400 -0.084 0.000 0.854 91 E CB 1.031 30.702 29.700 -0.048 0.000 1.051 91 E HN 0.408 nan 8.360 nan 0.000 0.409 92 P HA -0.234 nan 4.420 nan 0.000 0.216 92 P C 0.779 177.956 177.300 -0.205 0.000 1.150 92 P CA 1.203 64.266 63.100 -0.062 0.000 0.843 92 P CB 0.253 31.979 31.700 0.043 0.000 0.787 93 E N 0.051 120.084 120.200 -0.278 0.000 2.209 93 E HA -0.168 4.181 4.350 -0.001 0.000 0.196 93 E C 2.087 178.543 176.600 -0.239 0.000 0.993 93 E CA 0.907 57.078 56.400 -0.382 0.000 0.819 93 E CB -1.450 28.101 29.700 -0.248 0.000 0.745 93 E HN 0.288 nan 8.360 nan 0.000 0.477 94 L N 0.791 121.937 121.223 -0.128 0.000 2.034 94 L HA -0.291 4.048 4.340 -0.001 0.000 0.217 94 L C 2.823 179.642 176.870 -0.085 0.000 1.077 94 L CA 1.948 56.742 54.840 -0.076 0.000 0.769 94 L CB -0.583 41.432 42.059 -0.073 0.000 0.890 94 L HN 0.237 nan 8.230 nan 0.000 0.435 95 c N -0.533 118.034 118.600 -0.055 0.000 2.432 95 c HA -0.191 4.379 4.570 -0.001 0.000 0.277 95 c C 2.864 176.970 174.090 0.026 0.000 1.249 95 c CA 1.227 57.574 56.329 0.030 0.000 1.725 95 c CB -1.103 41.508 42.510 0.168 0.000 2.028 95 c HN 0.657 nan 8.230 nan 0.000 0.477 96 Q N 0.356 120.120 119.800 -0.059 0.000 2.187 96 Q HA -0.063 4.276 4.340 -0.001 0.000 0.199 96 Q C 1.852 177.823 176.000 -0.047 0.000 0.957 96 Q CA 1.302 57.076 55.803 -0.048 0.000 0.857 96 Q CB -0.341 28.253 28.738 -0.239 0.000 0.929 96 Q HN 0.460 nan 8.270 nan 0.000 0.453 97 I N 0.735 121.261 120.570 -0.072 0.000 2.614 97 I HA -0.061 4.108 4.170 -0.001 0.000 0.258 97 I C 1.015 177.140 176.117 0.014 0.000 1.189 97 I CA 0.611 61.900 61.300 -0.019 0.000 1.462 97 I CB -0.597 37.406 38.000 0.004 0.000 1.092 97 I HN 0.278 nan 8.210 nan 0.000 0.442 98 L N 3.251 124.472 121.223 -0.004 0.000 2.506 98 L HA 0.383 4.723 4.340 -0.001 0.000 0.247 98 L C -1.905 174.975 176.870 0.017 0.000 1.141 98 L CA -1.836 53.005 54.840 0.001 0.000 0.973 98 L CB 0.709 42.730 42.059 -0.063 0.000 1.319 98 L HN -0.102 nan 8.230 nan 0.000 0.455 99 P HA 0.052 nan 4.420 nan 0.000 0.242 99 P C 0.588 177.913 177.300 0.041 0.000 1.197 99 P CA 0.686 63.813 63.100 0.044 0.000 0.765 99 P CB 0.285 32.011 31.700 0.044 0.000 0.936 100 L N -1.367 119.877 121.223 0.034 0.000 3.218 100 L HA 0.221 4.561 4.340 -0.001 0.000 0.279 100 L C 0.265 177.150 176.870 0.025 0.000 1.287 100 L CA 0.077 54.936 54.840 0.032 0.000 1.024 100 L CB 0.113 42.192 42.059 0.035 0.000 1.409 100 L HN -0.044 nan 8.230 nan 0.000 0.580 101 L N 0.739 121.974 121.223 0.020 0.000 2.385 101 L HA 0.131 4.471 4.340 -0.001 0.000 0.281 101 L C 1.138 178.021 176.870 0.021 0.000 1.106 101 L CA 0.243 55.089 54.840 0.010 0.000 0.856 101 L CB 0.890 42.948 42.059 -0.003 0.000 1.186 101 L HN 0.395 nan 8.230 nan 0.000 0.453 102 K N 2.572 122.983 120.400 0.018 0.000 2.240 102 K HA 0.176 4.496 4.320 -0.001 0.000 0.202 102 K C -0.205 176.405 176.600 0.016 0.000 1.053 102 K CA 0.435 56.734 56.287 0.020 0.000 0.973 102 K CB 0.781 33.292 32.500 0.019 0.000 0.924 102 K HN 0.326 nan 8.250 nan 0.000 0.477 103 V N 3.188 123.110 119.914 0.014 0.000 2.313 103 V HA 0.217 4.337 4.120 -0.001 0.000 0.278 103 V C -0.871 175.231 176.094 0.014 0.000 1.017 103 V CA -0.726 61.582 62.300 0.014 0.000 0.823 103 V CB 1.259 33.091 31.823 0.015 0.000 1.010 103 V HN 0.104 nan 8.190 nan 0.000 0.443 104 L N 5.552 126.787 121.223 0.019 0.000 2.309 104 L HA 0.646 4.985 4.340 -0.001 0.000 0.282 104 L C -0.340 176.550 176.870 0.033 0.000 1.036 104 L CA 0.160 55.016 54.840 0.027 0.000 0.806 104 L CB 1.556 43.649 42.059 0.057 0.000 1.220 104 L HN 0.597 nan 8.230 nan 0.000 0.429 105 N N 4.056 122.777 118.700 0.035 0.000 2.399 105 N HA 0.543 5.282 4.740 -0.001 0.000 0.284 105 N C -0.933 174.598 175.510 0.035 0.000 1.025 105 N CA -0.216 52.857 53.050 0.037 0.000 0.885 105 N CB 1.589 40.104 38.487 0.047 0.000 1.339 105 N HN 0.414 nan 8.380 nan 0.000 0.487 106 L N 2.213 123.450 121.223 0.023 0.000 3.291 106 L HA 0.205 4.544 4.340 -0.001 0.000 0.307 106 L C -0.008 176.823 176.870 -0.065 0.000 1.303 106 L CA -0.438 54.403 54.840 0.001 0.000 0.949 106 L CB 0.006 42.089 42.059 0.040 0.000 1.375 106 L HN 0.507 nan 8.230 nan 0.000 0.596 107 Q N -0.704 119.035 119.800 -0.103 0.000 2.479 107 Q HA -0.067 4.273 4.340 -0.001 0.000 0.267 107 Q C 0.464 176.210 176.000 -0.423 0.000 1.071 107 Q CA 0.083 55.755 55.803 -0.218 0.000 0.935 107 Q CB 0.036 28.667 28.738 -0.179 0.000 1.295 107 Q HN 0.345 nan 8.270 nan 0.000 0.476 108 H N 0.120 118.869 119.070 -0.535 0.000 2.636 108 H HA -0.221 4.334 4.556 -0.001 0.000 0.312 108 H C -0.933 174.143 175.328 -0.420 0.000 1.106 108 H CA 1.289 56.980 56.048 -0.595 0.000 1.139 108 H CB -0.976 28.156 29.762 -1.049 0.000 1.423 108 H HN 0.769 nan 8.280 nan 0.000 0.407 109 N N -0.231 118.322 118.700 -0.245 0.000 2.547 109 N HA 0.132 4.871 4.740 -0.001 0.000 0.301 109 N C 0.803 176.226 175.510 -0.145 0.000 1.328 109 N CA -0.304 52.665 53.050 -0.135 0.000 0.932 109 N CB 0.534 38.972 38.487 -0.081 0.000 1.104 109 N HN 0.226 nan 8.380 nan 0.000 0.548 110 E N 0.349 120.497 120.200 -0.086 0.000 2.734 110 E HA 0.173 4.523 4.350 -0.001 0.000 0.211 110 E C -0.545 176.017 176.600 -0.063 0.000 0.991 110 E CA -0.149 56.203 56.400 -0.080 0.000 1.065 110 E CB 0.179 29.846 29.700 -0.054 0.000 1.047 110 E HN 0.407 nan 8.360 nan 0.000 0.470 111 L N 1.514 122.705 121.223 -0.055 0.000 2.578 111 L HA -0.048 4.292 4.340 -0.001 0.000 0.279 111 L C 1.377 178.222 176.870 -0.042 0.000 1.227 111 L CA 0.128 54.944 54.840 -0.039 0.000 0.900 111 L CB 0.348 42.398 42.059 -0.015 0.000 1.144 111 L HN 0.051 nan 8.230 nan 0.000 0.496 112 S N 1.880 117.551 115.700 -0.049 0.000 2.297 112 S HA -0.007 4.463 4.470 -0.001 0.000 0.200 112 S C 0.175 174.744 174.600 -0.051 0.000 1.011 112 S CA 0.243 58.405 58.200 -0.064 0.000 0.938 112 S CB 0.060 63.217 63.200 -0.072 0.000 0.924 112 S HN 0.763 nan 8.310 nan 0.000 0.504 113 Q N 0.041 119.813 119.800 -0.046 0.000 2.347 113 Q HA 0.620 4.960 4.340 -0.001 0.000 0.271 113 Q C -1.483 174.498 176.000 -0.032 0.000 1.064 113 Q CA -0.782 55.003 55.803 -0.030 0.000 0.800 113 Q CB 1.235 29.949 28.738 -0.040 0.000 1.304 113 Q HN 0.196 nan 8.270 nan 0.000 0.438 114 I N 2.929 123.493 120.570 -0.010 0.000 2.474 114 I HA 0.206 4.376 4.170 -0.001 0.000 0.287 114 I C 0.040 176.121 176.117 -0.060 0.000 1.048 114 I CA 0.456 61.737 61.300 -0.031 0.000 1.383 114 I CB 1.502 39.526 38.000 0.040 0.000 1.412 114 I HN 0.895 nan 8.210 nan 0.000 0.531 115 S N 3.569 119.209 115.700 -0.099 0.000 2.745 115 S HA 0.415 4.884 4.470 -0.001 0.000 0.292 115 S C 0.480 175.026 174.600 -0.090 0.000 1.133 115 S CA -0.484 57.665 58.200 -0.085 0.000 0.998 115 S CB 0.965 64.117 63.200 -0.081 0.000 1.087 115 S HN 0.580 nan 8.310 nan 0.000 0.551 116 D N 0.194 120.553 120.400 -0.068 0.000 2.312 116 D HA 0.007 4.646 4.640 -0.001 0.000 0.211 116 D C 1.122 177.385 176.300 -0.061 0.000 0.964 116 D CA 0.558 54.521 54.000 -0.063 0.000 0.877 116 D CB 0.003 40.776 40.800 -0.044 0.000 0.924 116 D HN 0.333 nan 8.370 nan 0.000 0.515 117 Q N -0.411 119.354 119.800 -0.057 0.000 2.194 117 Q HA 0.116 4.455 4.340 -0.001 0.000 0.214 117 Q C 1.517 177.502 176.000 -0.026 0.000 0.838 117 Q CA 0.256 56.043 55.803 -0.027 0.000 0.972 117 Q CB 0.800 29.537 28.738 -0.002 0.000 1.131 117 Q HN 0.312 nan 8.270 nan 0.000 0.498 118 T N -1.136 113.347 114.554 -0.118 0.000 2.739 118 T HA 0.002 4.352 4.350 -0.001 0.000 0.249 118 T C 0.761 175.304 174.700 -0.261 0.000 1.050 118 T CA 0.644 62.584 62.100 -0.267 0.000 1.165 118 T CB -0.090 68.475 68.868 -0.505 0.000 0.872 118 T HN 0.107 nan 8.240 nan 0.000 0.411 119 F N 1.800 121.708 119.950 -0.069 0.000 2.697 119 F HA 0.331 4.857 4.527 -0.001 0.000 0.297 119 F C 1.736 177.525 175.800 -0.019 0.000 1.203 119 F CA -0.403 57.573 58.000 -0.041 0.000 1.421 119 F CB -0.468 38.463 39.000 -0.115 0.000 1.033 119 F HN 0.039 nan 8.300 nan 0.000 0.512 120 V N -0.714 119.264 119.914 0.107 0.000 2.913 120 V HA -0.255 3.864 4.120 -0.001 0.000 0.260 120 V C 1.724 177.655 176.094 -0.272 0.000 1.098 120 V CA 1.780 64.025 62.300 -0.092 0.000 1.121 120 V CB -0.697 31.005 31.823 -0.202 0.000 0.714 120 V HN 0.316 nan 8.190 nan 0.000 0.487 121 F N -1.801 118.168 119.950 0.033 0.000 2.559 121 F HA 0.240 4.766 4.527 -0.001 0.000 0.286 121 F C 1.557 177.384 175.800 0.045 0.000 1.108 121 F CA -0.683 57.335 58.000 0.030 0.000 1.436 121 F CB -0.610 38.398 39.000 0.013 0.000 1.130 121 F HN -0.084 nan 8.300 nan 0.000 0.584 122 c N 2.533 121.278 118.600 0.242 0.000 2.638 122 c HA 0.144 4.713 4.570 -0.001 0.000 0.400 122 c C 1.817 175.975 174.090 0.113 0.000 1.421 122 c CA 0.987 57.418 56.329 0.169 0.000 1.492 122 c CB -1.505 41.128 42.510 0.204 0.000 2.372 122 c HN 0.649 nan 8.230 nan 0.000 0.618 123 T N -1.139 113.467 114.554 0.086 0.000 2.989 123 T HA 0.034 4.384 4.350 -0.001 0.000 0.250 123 T C 1.160 175.889 174.700 0.047 0.000 0.981 123 T CA 0.110 62.245 62.100 0.058 0.000 0.980 123 T CB -0.173 68.722 68.868 0.044 0.000 1.133 123 T HN 0.543 nan 8.240 nan 0.000 0.489 124 N N 1.445 120.174 118.700 0.048 0.000 2.485 124 N HA 0.143 4.883 4.740 -0.001 0.000 0.199 124 N C -0.505 175.025 175.510 0.034 0.000 1.236 124 N CA 0.012 53.084 53.050 0.038 0.000 0.852 124 N CB -0.158 38.350 38.487 0.037 0.000 1.018 124 N HN 0.291 nan 8.380 nan 0.000 0.457 125 L N 0.903 122.148 121.223 0.037 0.000 2.367 125 L HA 0.090 4.429 4.340 -0.001 0.000 0.275 125 L C 1.640 178.521 176.870 0.018 0.000 1.129 125 L CA 0.615 55.473 54.840 0.029 0.000 0.839 125 L CB 1.156 43.235 42.059 0.033 0.000 1.133 125 L HN 0.068 nan 8.230 nan 0.000 0.453 126 T N -0.370 114.191 114.554 0.012 0.000 2.964 126 T HA 0.227 4.576 4.350 -0.001 0.000 0.249 126 T C 0.459 175.158 174.700 -0.002 0.000 1.000 126 T CA -0.217 61.887 62.100 0.006 0.000 0.992 126 T CB 0.363 69.236 68.868 0.008 0.000 1.087 126 T HN 0.452 nan 8.240 nan 0.000 0.489 127 E N 0.688 120.886 120.200 -0.002 0.000 2.260 127 E HA 0.485 4.834 4.350 -0.001 0.000 0.266 127 E C -2.148 174.444 176.600 -0.014 0.000 0.887 127 E CA -0.746 55.649 56.400 -0.008 0.000 0.777 127 E CB 2.082 31.782 29.700 0.001 0.000 1.205 127 E HN 0.130 nan 8.360 nan 0.000 0.414 128 L N 4.598 125.801 121.223 -0.034 0.000 2.349 128 L HA 0.489 4.829 4.340 -0.001 0.000 0.278 128 L C -1.297 175.555 176.870 -0.030 0.000 0.996 128 L CA -0.480 54.333 54.840 -0.046 0.000 0.825 128 L CB 1.519 43.506 42.059 -0.120 0.000 1.243 128 L HN 0.454 nan 8.230 nan 0.000 0.412 129 D N 4.788 125.186 120.400 -0.002 0.000 2.425 129 D HA 0.390 5.029 4.640 -0.001 0.000 0.240 129 D C -0.379 175.930 176.300 0.016 0.000 1.080 129 D CA -0.125 53.878 54.000 0.005 0.000 0.836 129 D CB 1.054 41.862 40.800 0.013 0.000 1.125 129 D HN 0.581 nan 8.370 nan 0.000 0.525 130 L N 4.293 125.528 121.223 0.019 0.000 3.202 130 L HA 0.188 4.527 4.340 -0.001 0.000 0.278 130 L C 2.157 179.027 176.870 -0.002 0.000 1.268 130 L CA -0.377 54.480 54.840 0.028 0.000 1.034 130 L CB 0.159 42.267 42.059 0.082 0.000 1.407 130 L HN 0.380 nan 8.230 nan 0.000 0.581 131 M N -0.015 119.578 119.600 -0.012 0.000 2.186 131 M HA -0.277 4.203 4.480 -0.001 0.000 0.249 131 M C 0.262 176.535 176.300 -0.045 0.000 1.081 131 M CA 1.756 57.048 55.300 -0.013 0.000 1.072 131 M CB -0.123 32.471 32.600 -0.009 0.000 1.318 131 M HN 0.350 nan 8.290 nan 0.000 0.405 132 S N -0.249 115.370 115.700 -0.135 0.000 2.293 132 S HA 0.310 4.779 4.470 -0.001 0.000 0.154 132 S C -0.328 174.098 174.600 -0.289 0.000 1.602 132 S CA -0.522 57.531 58.200 -0.244 0.000 1.260 132 S CB 0.320 63.292 63.200 -0.381 0.000 1.270 132 S HN 0.403 nan 8.310 nan 0.000 0.416 133 N N 1.072 119.680 118.700 -0.154 0.000 2.194 133 N HA 0.061 4.801 4.740 -0.001 0.000 0.231 133 N C -0.346 175.137 175.510 -0.045 0.000 1.247 133 N CA -0.183 52.799 53.050 -0.114 0.000 0.884 133 N CB 0.846 39.302 38.487 -0.052 0.000 1.146 133 N HN 0.475 nan 8.380 nan 0.000 0.516 134 S N 0.655 116.349 115.700 -0.010 0.000 3.255 134 S HA -0.232 4.237 4.470 -0.001 0.000 0.358 134 S C -0.050 174.675 174.600 0.208 0.000 0.915 134 S CA 0.351 58.642 58.200 0.150 0.000 1.335 134 S CB -2.011 61.309 63.200 0.200 0.000 0.938 134 S HN 0.330 nan 8.310 nan 0.000 0.550 135 I N 2.561 123.249 120.570 0.197 0.000 2.377 135 I HA 0.279 4.448 4.170 -0.001 0.000 0.282 135 I C 1.296 177.562 176.117 0.248 0.000 1.091 135 I CA -0.917 60.481 61.300 0.164 0.000 1.207 135 I CB 0.411 38.473 38.000 0.102 0.000 1.429 135 I HN 0.404 nan 8.210 nan 0.000 0.491 136 H N 3.503 122.579 119.070 0.010 0.000 2.387 136 H HA 0.090 4.646 4.556 -0.001 0.000 0.299 136 H C 0.346 175.682 175.328 0.013 0.000 1.090 136 H CA 1.050 57.105 56.048 0.011 0.000 1.332 136 H CB -0.053 29.712 29.762 0.005 0.000 1.386 136 H HN 0.389 nan 8.280 nan 0.000 0.516 137 K N 0.107 120.589 120.400 0.137 0.000 2.443 137 K HA 0.536 4.855 4.320 -0.001 0.000 0.251 137 K C -0.879 175.754 176.600 0.055 0.000 0.972 137 K CA -0.636 55.697 56.287 0.076 0.000 0.833 137 K CB 2.936 35.469 32.500 0.054 0.000 1.317 137 K HN -0.096 nan 8.250 nan 0.000 0.441 138 I N 2.110 122.704 120.570 0.041 0.000 2.478 138 I HA 0.302 4.472 4.170 -0.001 0.000 0.287 138 I C -0.657 175.467 176.117 0.013 0.000 1.042 138 I CA -0.708 60.613 61.300 0.035 0.000 1.067 138 I CB 1.938 39.971 38.000 0.055 0.000 1.233 138 I HN 0.339 nan 8.210 nan 0.000 0.431 139 K N 3.669 124.070 120.400 0.003 0.000 2.259 139 K HA 0.614 4.933 4.320 -0.001 0.000 0.249 139 K C 0.009 176.601 176.600 -0.015 0.000 0.942 139 K CA -0.081 56.202 56.287 -0.007 0.000 0.816 139 K CB 2.123 34.618 32.500 -0.009 0.000 1.155 139 K HN 0.745 nan 8.250 nan 0.000 0.428 140 S N 1.829 117.520 115.700 -0.015 0.000 3.704 140 S HA -0.203 4.266 4.470 -0.001 0.000 0.630 140 S C -1.076 173.513 174.600 -0.018 0.000 2.383 140 S CA 0.514 58.703 58.200 -0.017 0.000 3.461 140 S CB -0.766 62.421 63.200 -0.023 0.000 0.276 140 S HN 0.839 nan 8.310 nan 0.000 1.191 141 N N 2.120 120.810 118.700 -0.017 0.000 2.790 141 N HA 0.405 5.144 4.740 -0.001 0.000 0.256 141 N C -2.542 172.955 175.510 -0.022 0.000 1.409 141 N CA -0.999 52.052 53.050 0.003 0.000 0.799 141 N CB 1.432 39.926 38.487 0.012 0.000 1.170 141 N HN 0.263 nan 8.380 nan 0.000 0.507 142 P HA 0.059 nan 4.420 nan 0.000 0.230 142 P C -0.034 176.960 177.300 -0.510 0.000 1.158 142 P CA 0.863 63.767 63.100 -0.328 0.000 0.769 142 P CB 0.045 31.436 31.700 -0.514 0.000 0.807 143 F N -1.761 118.186 119.950 -0.005 0.000 2.791 143 F HA 0.366 4.892 4.527 -0.001 0.000 0.308 143 F C 1.754 177.543 175.800 -0.017 0.000 1.138 143 F CA -0.486 57.499 58.000 -0.026 0.000 1.294 143 F CB -0.037 38.918 39.000 -0.074 0.000 0.975 143 F HN -0.305 nan 8.300 nan 0.000 0.512 144 K N 1.022 121.480 120.400 0.098 0.000 2.103 144 K HA -0.108 4.212 4.320 -0.001 0.000 0.207 144 K C 1.416 178.045 176.600 0.049 0.000 1.048 144 K CA 1.587 57.912 56.287 0.062 0.000 0.930 144 K CB -0.085 32.426 32.500 0.018 0.000 0.716 144 K HN 0.080 nan 8.250 nan 0.000 0.444 145 N N 0.069 118.791 118.700 0.036 0.000 2.280 145 N HA -0.020 4.719 4.740 -0.001 0.000 0.192 145 N C -0.053 175.483 175.510 0.044 0.000 1.109 145 N CA 0.226 53.288 53.050 0.020 0.000 0.855 145 N CB 0.531 39.004 38.487 -0.022 0.000 0.974 145 N HN 0.143 nan 8.380 nan 0.000 0.482 146 Q N 0.937 120.783 119.800 0.077 0.000 2.600 146 Q HA 0.125 4.465 4.340 -0.001 0.000 0.276 146 Q C 0.815 176.847 176.000 0.054 0.000 1.006 146 Q CA 0.109 55.956 55.803 0.074 0.000 0.942 146 Q CB -0.051 28.752 28.738 0.108 0.000 1.383 146 Q HN -0.015 nan 8.270 nan 0.000 0.414 147 K N -0.316 120.110 120.400 0.043 0.000 2.585 147 K HA -0.055 4.264 4.320 -0.001 0.000 0.194 147 K C 0.153 176.770 176.600 0.029 0.000 1.037 147 K CA 0.538 56.846 56.287 0.035 0.000 0.964 147 K CB 0.329 32.846 32.500 0.028 0.000 0.787 147 K HN 0.281 nan 8.250 nan 0.000 0.488 148 N N -0.099 118.617 118.700 0.028 0.000 2.227 148 N HA 0.012 4.752 4.740 -0.001 0.000 0.196 148 N C -0.284 175.236 175.510 0.016 0.000 1.142 148 N CA -0.243 52.820 53.050 0.022 0.000 0.887 148 N CB 0.278 38.778 38.487 0.023 0.000 1.022 148 N HN -0.020 nan 8.380 nan 0.000 0.500 149 L N 1.706 122.938 121.223 0.015 0.000 2.534 149 L HA 0.057 4.397 4.340 -0.001 0.000 0.271 149 L C 0.826 177.692 176.870 -0.006 0.000 1.178 149 L CA 0.631 55.471 54.840 0.000 0.000 0.907 149 L CB 0.119 42.172 42.059 -0.010 0.000 1.164 149 L HN 0.167 nan 8.230 nan 0.000 0.482 150 I N 3.516 124.082 120.570 -0.006 0.000 3.265 150 I HA 0.082 4.251 4.170 -0.001 0.000 0.282 150 I C 0.424 176.535 176.117 -0.009 0.000 1.207 150 I CA 0.539 61.838 61.300 -0.003 0.000 1.449 150 I CB -0.171 37.830 38.000 0.002 0.000 1.121 150 I HN 0.616 nan 8.210 nan 0.000 0.442 151 K N 1.466 121.855 120.400 -0.018 0.000 2.601 151 K HA 0.457 4.776 4.320 -0.001 0.000 0.249 151 K C -1.131 175.442 176.600 -0.044 0.000 0.966 151 K CA -0.347 55.925 56.287 -0.024 0.000 0.827 151 K CB 2.961 35.454 32.500 -0.012 0.000 1.178 151 K HN -0.049 nan 8.250 nan 0.000 0.437 152 L N 2.509 123.692 121.223 -0.068 0.000 2.307 152 L HA 0.462 4.802 4.340 -0.001 0.000 0.284 152 L C -1.168 175.659 176.870 -0.072 0.000 1.023 152 L CA -0.437 54.339 54.840 -0.106 0.000 0.810 152 L CB 1.307 43.239 42.059 -0.212 0.000 1.231 152 L HN 0.649 nan 8.230 nan 0.000 0.423 153 D N 5.370 125.739 120.400 -0.051 0.000 2.492 153 D HA 0.330 4.970 4.640 -0.001 0.000 0.248 153 D C -0.641 175.653 176.300 -0.011 0.000 1.101 153 D CA -0.182 53.806 54.000 -0.021 0.000 0.840 153 D CB 1.778 42.577 40.800 -0.002 0.000 1.209 153 D HN 0.510 nan 8.370 nan 0.000 0.524 154 L N 2.640 123.861 121.223 -0.002 0.000 3.193 154 L HA 0.208 4.547 4.340 -0.001 0.000 0.305 154 L C 0.537 177.428 176.870 0.035 0.000 1.299 154 L CA -0.246 54.607 54.840 0.021 0.000 0.904 154 L CB 0.782 42.851 42.059 0.017 0.000 1.331 154 L HN 0.159 nan 8.230 nan 0.000 0.588 155 S N -1.139 114.585 115.700 0.041 0.000 2.626 155 S HA 0.071 4.540 4.470 -0.001 0.000 0.257 155 S C 0.699 175.366 174.600 0.112 0.000 1.288 155 S CA -0.214 58.022 58.200 0.060 0.000 0.980 155 S CB 0.131 63.367 63.200 0.061 0.000 0.975 155 S HN 0.506 nan 8.310 nan 0.000 0.577 156 H N 0.864 119.929 119.070 -0.010 0.000 2.355 156 H HA -0.165 4.390 4.556 -0.001 0.000 0.324 156 H C -0.156 175.153 175.328 -0.033 0.000 1.015 156 H CA 0.849 56.885 56.048 -0.020 0.000 1.101 156 H CB -1.687 28.067 29.762 -0.014 0.000 1.555 156 H HN 0.509 nan 8.280 nan 0.000 0.386 157 N N -1.597 117.193 118.700 0.150 0.000 3.124 157 N HA 0.510 5.249 4.740 -0.001 0.000 0.350 157 N C 1.363 176.878 175.510 0.009 0.000 1.411 157 N CA -0.237 52.869 53.050 0.093 0.000 0.729 157 N CB 0.451 38.984 38.487 0.077 0.000 1.379 157 N HN 0.173 nan 8.380 nan 0.000 0.599 158 G N 0.095 108.847 108.800 -0.080 0.000 3.609 158 G HA2 0.208 4.167 3.960 -0.001 0.000 0.280 158 G HA3 0.208 4.167 3.960 -0.001 0.000 0.280 158 G C -0.349 174.476 174.900 -0.125 0.000 1.155 158 G CA -0.156 44.762 45.100 -0.304 0.000 0.876 158 G HN 0.119 nan 8.290 nan 0.000 0.535 159 L N 1.110 122.317 121.223 -0.027 0.000 2.514 159 L HA 0.169 4.509 4.340 -0.001 0.000 0.280 159 L C 1.005 177.866 176.870 -0.014 0.000 1.223 159 L CA 0.745 55.588 54.840 0.005 0.000 0.864 159 L CB 1.065 43.138 42.059 0.024 0.000 1.118 159 L HN 0.059 nan 8.230 nan 0.000 0.494 160 S N 0.123 115.822 115.700 -0.001 0.000 2.666 160 S HA 0.110 4.579 4.470 -0.001 0.000 0.239 160 S C 0.463 175.064 174.600 0.001 0.000 1.031 160 S CA -0.204 57.991 58.200 -0.008 0.000 1.015 160 S CB 0.686 63.881 63.200 -0.009 0.000 0.981 160 S HN 0.642 nan 8.310 nan 0.000 0.547 161 S N 1.146 116.855 115.700 0.015 0.000 2.549 161 S HA 0.414 4.884 4.470 -0.001 0.000 0.280 161 S C 0.776 175.405 174.600 0.047 0.000 1.109 161 S CA -0.414 57.802 58.200 0.027 0.000 0.905 161 S CB 1.452 64.668 63.200 0.026 0.000 1.081 161 S HN 0.223 nan 8.310 nan 0.000 0.477 162 T N 0.604 115.205 114.554 0.078 0.000 3.113 162 T HA 0.178 4.528 4.350 -0.001 0.000 0.256 162 T C 0.695 175.513 174.700 0.196 0.000 1.131 162 T CA 0.237 62.419 62.100 0.136 0.000 1.074 162 T CB -0.296 68.669 68.868 0.162 0.000 0.944 162 T HN 0.519 nan 8.240 nan 0.000 0.516 163 K N 1.510 121.986 120.400 0.126 0.000 2.412 163 K HA 0.228 4.548 4.320 -0.001 0.000 0.281 163 K C 0.194 176.636 176.600 -0.263 0.000 1.027 163 K CA -0.045 56.254 56.287 0.020 0.000 0.989 163 K CB 0.187 32.706 32.500 0.032 0.000 0.935 163 K HN 0.261 nan 8.250 nan 0.000 0.475 164 L N 2.985 123.715 121.223 -0.822 0.000 3.086 164 L HA 0.354 4.693 4.340 -0.001 0.000 0.274 164 L C 0.634 177.221 176.870 -0.472 0.000 1.184 164 L CA -0.369 54.115 54.840 -0.593 0.000 1.002 164 L CB 1.049 42.693 42.059 -0.691 0.000 1.383 164 L HN 0.877 nan 8.230 nan 0.000 0.582 165 G N -0.422 108.060 108.800 -0.530 0.000 2.488 165 G HA2 0.340 4.299 3.960 -0.001 0.000 0.301 165 G HA3 0.340 4.299 3.960 -0.001 0.000 0.301 165 G C 0.054 174.907 174.900 -0.078 0.000 1.339 165 G CA 0.553 45.522 45.100 -0.218 0.000 0.803 165 G HN -0.113 nan 8.290 nan 0.000 0.482 166 T N -2.946 111.615 114.554 0.011 0.000 2.987 166 T HA 0.490 4.839 4.350 -0.001 0.000 0.248 166 T C 1.114 175.863 174.700 0.081 0.000 0.997 166 T CA 1.124 63.253 62.100 0.047 0.000 1.013 166 T CB 0.653 69.536 68.868 0.026 0.000 1.077 166 T HN 1.315 nan 8.240 nan 0.000 0.483 167 G N 0.972 109.824 108.800 0.086 0.000 2.537 167 G HA2 0.550 4.509 3.960 -0.001 0.000 0.323 167 G HA3 0.550 4.509 3.960 -0.001 0.000 0.323 167 G C -0.851 174.126 174.900 0.128 0.000 1.207 167 G CA -0.732 44.421 45.100 0.088 0.000 0.976 167 G HN 0.214 nan 8.290 nan 0.000 0.487 168 V N 1.897 121.868 119.914 0.095 0.000 2.400 168 V HA 0.108 4.227 4.120 -0.001 0.000 0.263 168 V C 0.701 176.852 176.094 0.094 0.000 1.026 168 V CA 0.489 62.843 62.300 0.091 0.000 1.077 168 V CB -0.986 30.864 31.823 0.045 0.000 1.054 168 V HN 0.840 nan 8.190 nan 0.000 0.477 169 Q N 4.025 123.909 119.800 0.140 0.000 3.353 169 Q HA 0.566 4.905 4.340 -0.001 0.000 0.302 169 Q C -0.007 176.064 176.000 0.118 0.000 0.991 169 Q CA -1.140 54.734 55.803 0.119 0.000 0.827 169 Q CB 0.612 29.423 28.738 0.122 0.000 1.694 169 Q HN 0.110 nan 8.270 nan 0.000 0.458 170 L N 1.426 122.710 121.223 0.102 0.000 4.071 170 L HA -0.263 4.076 4.340 -0.001 0.000 0.471 170 L C 1.161 178.061 176.870 0.049 0.000 1.096 170 L CA 1.138 56.021 54.840 0.071 0.000 0.865 170 L CB -1.912 40.188 42.059 0.068 0.000 1.802 170 L HN 0.776 nan 8.230 nan 0.000 0.946 171 E N -0.019 120.208 120.200 0.045 0.000 2.245 171 E HA -0.279 4.070 4.350 -0.001 0.000 0.217 171 E C 1.427 178.041 176.600 0.023 0.000 1.069 171 E CA 2.305 58.723 56.400 0.030 0.000 0.877 171 E CB -0.063 29.654 29.700 0.028 0.000 0.757 171 E HN 0.697 nan 8.360 nan 0.000 0.464 172 N N -0.395 118.320 118.700 0.024 0.000 2.236 172 N HA 0.059 4.798 4.740 -0.001 0.000 0.196 172 N C -0.137 175.384 175.510 0.017 0.000 1.114 172 N CA -0.216 52.846 53.050 0.021 0.000 0.859 172 N CB 0.307 38.806 38.487 0.020 0.000 0.982 172 N HN -0.019 nan 8.380 nan 0.000 0.493 173 L N 0.812 122.043 121.223 0.013 0.000 2.485 173 L HA 0.063 4.403 4.340 -0.001 0.000 0.275 173 L C 1.000 177.877 176.870 0.012 0.000 1.207 173 L CA 1.070 55.913 54.840 0.004 0.000 0.855 173 L CB 1.017 43.074 42.059 -0.003 0.000 1.114 173 L HN 0.161 nan 8.230 nan 0.000 0.485 174 Q N 1.397 121.204 119.800 0.013 0.000 2.167 174 Q HA 0.257 4.597 4.340 -0.001 0.000 0.251 174 Q C -0.488 175.530 176.000 0.031 0.000 0.768 174 Q CA 0.061 55.883 55.803 0.032 0.000 0.944 174 Q CB 0.516 29.272 28.738 0.030 0.000 1.179 174 Q HN 0.756 nan 8.270 nan 0.000 0.478 175 E N 0.936 121.143 120.200 0.011 0.000 2.502 175 E HA 0.226 4.575 4.350 -0.001 0.000 0.261 175 E C -1.837 174.761 176.600 -0.004 0.000 0.974 175 E CA -0.452 55.954 56.400 0.009 0.000 0.795 175 E CB 1.035 30.739 29.700 0.006 0.000 1.385 175 E HN 0.103 nan 8.360 nan 0.000 0.400 176 L N 5.606 126.829 121.223 0.001 0.000 2.261 176 L HA 0.394 4.734 4.340 -0.001 0.000 0.289 176 L C -1.687 175.188 176.870 0.009 0.000 1.059 176 L CA -0.379 54.459 54.840 -0.003 0.000 0.816 176 L CB 0.653 42.719 42.059 0.011 0.000 1.191 176 L HN 0.510 nan 8.230 nan 0.000 0.431 177 L N 6.852 128.075 121.223 0.000 0.000 2.276 177 L HA 0.417 4.757 4.340 -0.001 0.000 0.286 177 L C 0.079 176.957 176.870 0.014 0.000 1.024 177 L CA 0.391 55.238 54.840 0.011 0.000 0.826 177 L CB 1.321 43.386 42.059 0.009 0.000 1.211 177 L HN 0.594 nan 8.230 nan 0.000 0.422 178 L N 3.359 124.597 121.223 0.026 0.000 3.393 178 L HA 0.470 4.809 4.340 -0.001 0.000 0.319 178 L C 0.715 177.601 176.870 0.027 0.000 1.309 178 L CA -0.215 54.643 54.840 0.029 0.000 0.962 178 L CB 0.664 42.748 42.059 0.041 0.000 1.391 178 L HN 0.686 nan 8.230 nan 0.000 0.607 179 A N 0.124 122.957 122.820 0.022 0.000 2.409 179 A HA 0.292 4.611 4.320 -0.001 0.000 0.246 179 A C 0.739 178.312 177.584 -0.018 0.000 1.099 179 A CA 0.054 52.096 52.037 0.009 0.000 0.789 179 A CB 0.065 19.070 19.000 0.008 0.000 1.053 179 A HN 0.489 nan 8.150 nan 0.000 0.503 180 K N 0.071 120.438 120.400 -0.056 0.000 3.278 180 K HA -0.173 4.146 4.320 -0.001 0.000 0.270 180 K C -0.231 176.294 176.600 -0.125 0.000 0.955 180 K CA 0.813 57.015 56.287 -0.141 0.000 0.723 180 K CB -1.553 30.792 32.500 -0.257 0.000 1.382 180 K HN 0.719 nan 8.250 nan 0.000 0.461 181 N N 0.593 119.252 118.700 -0.068 0.000 3.124 181 N HA 0.327 5.066 4.740 -0.001 0.000 0.350 181 N C 0.013 175.486 175.510 -0.062 0.000 1.411 181 N CA -0.658 52.359 53.050 -0.055 0.000 0.729 181 N CB 0.669 39.144 38.487 -0.021 0.000 1.379 181 N HN 0.065 nan 8.380 nan 0.000 0.599 182 K N 0.837 121.203 120.400 -0.055 0.000 3.045 182 K HA 0.459 4.778 4.320 -0.001 0.000 0.211 182 K C -0.584 175.990 176.600 -0.043 0.000 1.141 182 K CA -0.061 56.192 56.287 -0.056 0.000 1.036 182 K CB 0.188 32.647 32.500 -0.069 0.000 0.851 182 K HN 0.360 nan 8.250 nan 0.000 0.462 183 I N 2.142 122.692 120.570 -0.034 0.000 2.352 183 I HA 0.042 4.211 4.170 -0.001 0.000 0.290 183 I C 0.674 176.760 176.117 -0.053 0.000 1.036 183 I CA -0.444 60.838 61.300 -0.031 0.000 1.336 183 I CB 0.837 38.831 38.000 -0.011 0.000 1.407 183 I HN 0.119 nan 8.210 nan 0.000 0.497 184 L N 5.748 126.932 121.223 -0.066 0.000 2.664 184 L HA 0.573 4.913 4.340 -0.001 0.000 0.233 184 L C 0.588 177.374 176.870 -0.141 0.000 1.113 184 L CA 0.111 54.894 54.840 -0.096 0.000 0.896 184 L CB -0.432 41.581 42.059 -0.076 0.000 1.163 184 L HN 0.605 nan 8.230 nan 0.000 0.497 185 A N 0.010 122.757 122.820 -0.122 0.000 2.574 185 A HA 0.748 5.068 4.320 -0.001 0.000 0.297 185 A C -1.595 175.924 177.584 -0.109 0.000 1.062 185 A CA -0.331 51.618 52.037 -0.146 0.000 0.686 185 A CB 1.313 20.252 19.000 -0.102 0.000 1.285 185 A HN -0.048 nan 8.150 nan 0.000 0.403 186 L N 2.531 123.679 121.223 -0.126 0.000 2.321 186 L HA 0.476 4.815 4.340 -0.001 0.000 0.272 186 L C 0.482 177.292 176.870 -0.100 0.000 1.050 186 L CA -0.072 54.706 54.840 -0.103 0.000 0.893 186 L CB 0.280 42.252 42.059 -0.147 0.000 1.272 186 L HN 0.708 nan 8.230 nan 0.000 0.435 187 R N 0.240 120.703 120.500 -0.062 0.000 2.738 187 R HA 0.172 4.511 4.340 -0.001 0.000 0.268 187 R C 1.470 177.737 176.300 -0.056 0.000 1.062 187 R CA 0.213 56.286 56.100 -0.045 0.000 1.158 187 R CB 0.530 30.819 30.300 -0.017 0.000 1.046 187 R HN 0.479 nan 8.270 nan 0.000 0.493 188 S N 0.450 116.124 115.700 -0.044 0.000 2.436 188 S HA -0.100 4.369 4.470 -0.001 0.000 0.228 188 S C 1.468 176.054 174.600 -0.023 0.000 1.014 188 S CA 0.887 59.060 58.200 -0.045 0.000 0.950 188 S CB -0.061 63.119 63.200 -0.033 0.000 0.784 188 S HN 0.622 nan 8.310 nan 0.000 0.504 189 E N 1.813 122.011 120.200 -0.003 0.000 2.077 189 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 189 E C 1.277 177.913 176.600 0.060 0.000 0.989 189 E CA 1.316 57.730 56.400 0.023 0.000 0.800 189 E CB -0.272 29.441 29.700 0.022 0.000 0.746 189 E HN 0.836 nan 8.360 nan 0.000 0.452 190 E N 0.023 120.260 120.200 0.062 0.000 2.335 190 E HA 0.029 4.378 4.350 -0.001 0.000 0.191 190 E C 0.791 177.517 176.600 0.210 0.000 1.077 190 E CA -0.161 56.325 56.400 0.143 0.000 1.010 190 E CB 0.389 30.150 29.700 0.102 0.000 1.141 190 E HN 0.139 nan 8.360 nan 0.000 0.452 191 L N 1.013 122.262 121.223 0.044 0.000 3.689 191 L HA 0.089 4.428 4.340 -0.001 0.000 0.344 191 L C 1.109 177.748 176.870 -0.385 0.000 1.221 191 L CA 0.553 55.238 54.840 -0.258 0.000 1.171 191 L CB 0.674 42.631 42.059 -0.170 0.000 1.540 191 L HN 0.171 nan 8.230 nan 0.000 0.631 192 E N -0.389 119.734 120.200 -0.129 0.000 2.347 192 E HA -0.187 4.163 4.350 -0.001 0.000 0.196 192 E C 1.815 178.366 176.600 -0.082 0.000 1.008 192 E CA 1.086 57.431 56.400 -0.092 0.000 0.852 192 E CB -0.663 29.036 29.700 -0.002 0.000 0.783 192 E HN 0.476 nan 8.360 nan 0.000 0.505 193 F N 0.240 120.189 119.950 -0.002 0.000 2.494 193 F HA 0.136 4.662 4.527 -0.001 0.000 0.298 193 F C 1.079 176.875 175.800 -0.006 0.000 1.106 193 F CA 0.398 58.398 58.000 0.000 0.000 1.452 193 F CB -0.306 38.697 39.000 0.005 0.000 1.085 193 F HN -0.077 nan 8.300 nan 0.000 0.569 194 L N 1.054 121.946 121.223 -0.552 0.000 2.848 194 L HA 0.372 4.711 4.340 -0.001 0.000 0.240 194 L C 2.267 179.027 176.870 -0.183 0.000 1.232 194 L CA 0.073 54.705 54.840 -0.345 0.000 1.031 194 L CB -0.430 41.347 42.059 -0.470 0.000 1.338 194 L HN 0.345 nan 8.230 nan 0.000 0.509 195 G N 1.746 110.476 108.800 -0.115 0.000 2.505 195 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.220 195 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.220 195 G C 0.729 175.595 174.900 -0.057 0.000 1.145 195 G CA 1.066 46.124 45.100 -0.070 0.000 0.761 195 G HN 0.648 nan 8.290 nan 0.000 0.571 196 N N -0.908 117.767 118.700 -0.041 0.000 2.765 196 N HA 0.381 5.120 4.740 -0.001 0.000 0.277 196 N C -1.185 174.309 175.510 -0.026 0.000 1.750 196 N CA -0.553 52.478 53.050 -0.032 0.000 0.827 196 N CB 1.012 39.491 38.487 -0.014 0.000 1.200 196 N HN -0.083 nan 8.380 nan 0.000 0.494 197 S N -0.209 115.463 115.700 -0.047 0.000 2.640 197 S HA 0.305 4.775 4.470 -0.001 0.000 0.320 197 S C -0.341 174.234 174.600 -0.042 0.000 1.097 197 S CA -0.671 57.509 58.200 -0.033 0.000 1.092 197 S CB 0.944 64.117 63.200 -0.045 0.000 0.988 197 S HN 0.318 nan 8.310 nan 0.000 0.470 198 S N 3.852 119.552 115.700 -0.000 0.000 3.024 198 S HA 0.170 4.639 4.470 -0.001 0.000 0.316 198 S C 0.266 174.908 174.600 0.070 0.000 1.197 198 S CA -0.246 57.972 58.200 0.029 0.000 1.097 198 S CB -0.585 62.709 63.200 0.157 0.000 1.471 198 S HN 0.534 nan 8.310 nan 0.000 0.543 199 L N 4.174 125.381 121.223 -0.026 0.000 2.360 199 L HA 0.291 4.630 4.340 -0.001 0.000 0.276 199 L C 1.626 178.598 176.870 0.170 0.000 1.121 199 L CA -0.196 54.660 54.840 0.027 0.000 0.845 199 L CB 0.641 42.678 42.059 -0.037 0.000 1.143 199 L HN 0.549 nan 8.230 nan 0.000 0.452 200 R N 2.041 122.666 120.500 0.210 0.000 2.223 200 R HA 0.099 4.438 4.340 -0.001 0.000 0.198 200 R C 0.224 176.611 176.300 0.144 0.000 0.984 200 R CA 0.422 56.681 56.100 0.266 0.000 1.018 200 R CB 0.409 30.786 30.300 0.129 0.000 0.945 200 R HN 0.417 nan 8.270 nan 0.000 0.479 201 K N 0.977 121.424 120.400 0.079 0.000 2.616 201 K HA 0.166 4.485 4.320 -0.001 0.000 0.255 201 K C -2.067 174.550 176.600 0.028 0.000 0.995 201 K CA -0.572 55.742 56.287 0.044 0.000 0.860 201 K CB 1.391 33.908 32.500 0.029 0.000 1.264 201 K HN -0.132 nan 8.250 nan 0.000 0.451 202 L N 3.971 125.208 121.223 0.023 0.000 2.298 202 L HA 0.487 4.826 4.340 -0.001 0.000 0.284 202 L C -1.296 175.596 176.870 0.037 0.000 1.013 202 L CA -0.077 54.781 54.840 0.030 0.000 0.824 202 L CB 1.379 43.459 42.059 0.035 0.000 1.221 202 L HN 0.632 nan 8.230 nan 0.000 0.418 203 D N 4.720 125.143 120.400 0.039 0.000 2.303 203 D HA 0.350 4.990 4.640 -0.001 0.000 0.236 203 D C -0.059 176.274 176.300 0.054 0.000 1.068 203 D CA -0.067 53.957 54.000 0.040 0.000 0.830 203 D CB 1.261 42.078 40.800 0.028 0.000 1.109 203 D HN 0.641 nan 8.370 nan 0.000 0.496 204 L N 2.097 123.361 121.223 0.069 0.000 3.184 204 L HA 0.198 4.537 4.340 -0.001 0.000 0.283 204 L C 0.605 177.514 176.870 0.065 0.000 1.218 204 L CA -0.296 54.592 54.840 0.081 0.000 1.028 204 L CB 0.531 42.670 42.059 0.134 0.000 1.400 204 L HN 0.174 nan 8.230 nan 0.000 0.591 205 S N 0.085 115.814 115.700 0.048 0.000 2.550 205 S HA -0.022 4.448 4.470 -0.001 0.000 0.285 205 S C 1.072 175.680 174.600 0.012 0.000 1.326 205 S CA 0.261 58.482 58.200 0.034 0.000 1.037 205 S CB 0.475 63.688 63.200 0.022 0.000 0.838 205 S HN 0.429 nan 8.310 nan 0.000 0.519 206 S N 1.514 117.216 115.700 0.004 0.000 3.631 206 S HA -0.156 4.313 4.470 -0.001 0.000 0.366 206 S C -0.260 174.323 174.600 -0.028 0.000 0.993 206 S CA 0.358 58.545 58.200 -0.022 0.000 1.167 206 S CB -1.562 61.605 63.200 -0.053 0.000 0.909 206 S HN 0.729 nan 8.310 nan 0.000 0.478 207 N N 1.276 119.974 118.700 -0.005 0.000 2.269 207 N HA 0.356 5.095 4.740 -0.001 0.000 0.304 207 N C -2.964 172.536 175.510 -0.017 0.000 1.072 207 N CA -1.585 51.456 53.050 -0.014 0.000 0.802 207 N CB 2.134 40.623 38.487 0.002 0.000 1.348 207 N HN 0.015 nan 8.380 nan 0.000 0.484 208 P HA 0.190 nan 4.420 nan 0.000 0.231 208 P C -0.319 176.939 177.300 -0.070 0.000 1.811 208 P CA -0.095 62.980 63.100 -0.042 0.000 1.051 208 P CB -0.094 31.580 31.700 -0.044 0.000 1.951 209 L N 3.489 124.663 121.223 -0.083 0.000 2.433 209 L HA 0.089 4.428 4.340 -0.001 0.000 0.275 209 L C 1.570 178.297 176.870 -0.238 0.000 1.128 209 L CA 0.068 54.790 54.840 -0.197 0.000 0.875 209 L CB 0.520 42.425 42.059 -0.257 0.000 1.171 209 L HN 0.104 nan 8.230 nan 0.000 0.463 210 K N 2.643 122.893 120.400 -0.249 0.000 2.348 210 K HA 0.140 4.459 4.320 -0.001 0.000 0.194 210 K C 0.043 176.496 176.600 -0.245 0.000 1.052 210 K CA 0.365 56.538 56.287 -0.189 0.000 1.004 210 K CB 0.661 33.090 32.500 -0.118 0.000 0.873 210 K HN 0.761 nan 8.250 nan 0.000 0.523 211 E N -0.663 119.302 120.200 -0.391 0.000 2.388 211 E HA 0.372 4.722 4.350 -0.001 0.000 0.280 211 E C -1.400 174.876 176.600 -0.540 0.000 1.019 211 E CA -0.780 55.395 56.400 -0.375 0.000 0.806 211 E CB 0.736 30.346 29.700 -0.150 0.000 1.246 211 E HN -0.177 nan 8.360 nan 0.000 0.443 212 F N 1.758 121.688 119.950 -0.034 0.000 2.359 212 F HA 0.381 4.907 4.527 -0.001 0.000 0.369 212 F C 0.691 176.452 175.800 -0.065 0.000 1.084 212 F CA -0.825 57.128 58.000 -0.078 0.000 1.096 212 F CB 1.748 40.721 39.000 -0.045 0.000 1.335 212 F HN 0.568 nan 8.300 nan 0.000 0.457 213 S N 4.322 120.048 115.700 0.044 0.000 2.572 213 S HA 0.284 4.754 4.470 -0.001 0.000 0.267 213 S C -2.441 172.180 174.600 0.034 0.000 1.361 213 S CA -1.010 57.206 58.200 0.025 0.000 1.009 213 S CB 0.485 63.676 63.200 -0.014 0.000 0.888 213 S HN 0.330 nan 8.310 nan 0.000 0.553 214 P HA 0.317 nan 4.420 nan 0.000 0.281 214 P C 0.788 178.092 177.300 0.007 0.000 1.252 214 P CA 0.633 63.757 63.100 0.040 0.000 0.778 214 P CB 0.527 32.248 31.700 0.035 0.000 0.895 215 G N 2.636 111.443 108.800 0.011 0.000 2.176 215 G HA2 -0.388 3.571 3.960 -0.001 0.000 0.253 215 G HA3 -0.388 3.571 3.960 -0.001 0.000 0.253 215 G C 1.070 175.950 174.900 -0.032 0.000 0.979 215 G CA 0.234 45.333 45.100 -0.003 0.000 0.641 215 G HN 0.661 nan 8.290 nan 0.000 0.530 216 C N -1.317 117.927 119.300 -0.093 0.000 2.401 216 C HA 0.137 4.597 4.460 -0.001 0.000 0.276 216 C C 2.217 177.079 174.990 -0.214 0.000 1.233 216 C CA 1.742 60.637 59.018 -0.206 0.000 1.753 216 C CB -1.504 26.032 27.740 -0.339 0.000 2.029 216 C HN 0.308 nan 8.230 nan 0.000 0.478 217 F N 1.610 121.561 119.950 0.002 0.000 2.569 217 F HA 0.084 4.610 4.527 -0.001 0.000 0.295 217 F C 2.717 178.486 175.800 -0.052 0.000 1.115 217 F CA 0.733 58.714 58.000 -0.031 0.000 1.450 217 F CB -0.666 38.313 39.000 -0.035 0.000 1.107 217 F HN 0.233 nan 8.300 nan 0.000 0.563 218 Q N -0.070 119.800 119.800 0.116 0.000 2.181 218 Q HA -0.146 4.193 4.340 -0.001 0.000 0.205 218 Q C 1.981 177.978 176.000 -0.005 0.000 0.980 218 Q CA 1.950 57.776 55.803 0.038 0.000 0.862 218 Q CB -1.687 27.061 28.738 0.016 0.000 0.905 218 Q HN 0.452 nan 8.270 nan 0.000 0.429 219 T N -0.639 113.901 114.554 -0.022 0.000 3.077 219 T HA 0.000 4.350 4.350 -0.001 0.000 0.269 219 T C 0.862 175.512 174.700 -0.085 0.000 1.146 219 T CA 0.187 62.253 62.100 -0.055 0.000 1.091 219 T CB -0.199 68.626 68.868 -0.071 0.000 0.892 219 T HN -0.041 nan 8.240 nan 0.000 0.533 220 I N 1.839 122.363 120.570 -0.076 0.000 2.472 220 I HA 0.463 4.632 4.170 -0.001 0.000 0.290 220 I C 1.824 177.878 176.117 -0.105 0.000 1.016 220 I CA -0.513 60.720 61.300 -0.112 0.000 1.348 220 I CB 0.605 38.544 38.000 -0.101 0.000 1.417 220 I HN 0.134 nan 8.210 nan 0.000 0.521 221 G N 5.486 114.218 108.800 -0.113 0.000 2.545 221 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.217 221 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.217 221 G C 0.282 175.100 174.900 -0.138 0.000 1.218 221 G CA 0.740 45.781 45.100 -0.099 0.000 0.787 221 G HN 0.584 nan 8.290 nan 0.000 0.571 222 K N -1.073 119.200 120.400 -0.212 0.000 2.498 222 K HA 0.591 4.910 4.320 -0.001 0.000 0.254 222 K C -1.968 174.326 176.600 -0.510 0.000 0.933 222 K CA -0.841 55.211 56.287 -0.393 0.000 0.806 222 K CB 2.782 34.974 32.500 -0.514 0.000 1.301 222 K HN 0.108 nan 8.250 nan 0.000 0.432 223 L N 2.623 123.523 121.223 -0.538 0.000 2.333 223 L HA 0.468 4.808 4.340 -0.001 0.000 0.280 223 L C -0.874 175.695 176.870 -0.502 0.000 1.004 223 L CA -0.109 54.481 54.840 -0.416 0.000 0.820 223 L CB 0.840 42.766 42.059 -0.222 0.000 1.247 223 L HN 0.708 nan 8.230 nan 0.000 0.416 224 F N 3.109 123.035 119.950 -0.039 0.000 2.514 224 F HA 0.598 5.125 4.527 -0.001 0.000 0.281 224 F C 0.906 176.679 175.800 -0.045 0.000 1.060 224 F CA 0.280 58.258 58.000 -0.036 0.000 1.397 224 F CB -0.020 38.964 39.000 -0.026 0.000 1.129 224 F HN 0.530 nan 8.300 nan 0.000 0.620 225 A N 0.637 123.529 122.820 0.119 0.000 2.427 225 A HA 0.684 5.003 4.320 -0.001 0.000 0.298 225 A C -2.010 175.573 177.584 -0.002 0.000 1.036 225 A CA -0.449 51.618 52.037 0.050 0.000 0.701 225 A CB 1.358 20.393 19.000 0.058 0.000 1.250 225 A HN 0.067 nan 8.150 nan 0.000 0.412 226 L N 2.769 123.971 121.223 -0.035 0.000 2.385 226 L HA 0.710 5.049 4.340 -0.001 0.000 0.273 226 L C -1.365 175.492 176.870 -0.021 0.000 0.990 226 L CA -0.489 54.317 54.840 -0.057 0.000 0.821 226 L CB 1.628 43.589 42.059 -0.164 0.000 1.279 226 L HN 0.620 nan 8.230 nan 0.000 0.412 227 L N 6.871 128.099 121.223 0.007 0.000 2.318 227 L HA 0.453 4.792 4.340 -0.001 0.000 0.277 227 L C -0.435 176.464 176.870 0.048 0.000 1.008 227 L CA -0.351 54.504 54.840 0.025 0.000 0.846 227 L CB 1.389 43.462 42.059 0.023 0.000 1.220 227 L HN 0.559 nan 8.230 nan 0.000 0.423 228 L N 3.525 124.782 121.223 0.058 0.000 3.030 228 L HA 0.306 4.645 4.340 -0.001 0.000 0.252 228 L C -0.105 176.814 176.870 0.082 0.000 1.316 228 L CA -0.233 54.661 54.840 0.091 0.000 0.975 228 L CB 0.089 42.221 42.059 0.122 0.000 1.357 228 L HN 0.594 nan 8.230 nan 0.000 0.534 229 N N 1.370 120.106 118.700 0.060 0.000 2.530 229 N HA 0.037 4.777 4.740 -0.001 0.000 0.277 229 N C 0.475 176.011 175.510 0.042 0.000 1.168 229 N CA -0.020 53.061 53.050 0.053 0.000 0.979 229 N CB 0.804 39.312 38.487 0.035 0.000 1.141 229 N HN 0.307 nan 8.380 nan 0.000 0.459 230 N N -0.189 118.536 118.700 0.041 0.000 2.725 230 N HA -0.289 4.451 4.740 -0.001 0.000 0.251 230 N C -0.614 174.912 175.510 0.025 0.000 1.031 230 N CA 0.334 53.398 53.050 0.024 0.000 0.720 230 N CB -0.475 38.010 38.487 -0.004 0.000 0.930 230 N HN 0.644 nan 8.380 nan 0.000 0.543 231 A N 0.778 123.627 122.820 0.047 0.000 2.503 231 A HA 0.170 4.489 4.320 -0.001 0.000 0.263 231 A C 0.867 178.475 177.584 0.040 0.000 1.258 231 A CA 0.686 52.751 52.037 0.047 0.000 0.936 231 A CB 0.379 19.430 19.000 0.085 0.000 1.070 231 A HN 0.625 nan 8.150 nan 0.000 0.522 232 Q N -1.376 118.447 119.800 0.038 0.000 2.493 232 Q HA -0.172 4.167 4.340 -0.001 0.000 0.260 232 Q C -0.737 175.287 176.000 0.040 0.000 0.905 232 Q CA 0.241 56.062 55.803 0.029 0.000 1.140 232 Q CB -1.769 26.974 28.738 0.008 0.000 1.435 232 Q HN 0.443 nan 8.270 nan 0.000 0.581 233 L N 1.890 123.155 121.223 0.070 0.000 2.456 233 L HA 0.179 4.518 4.340 -0.001 0.000 0.272 233 L C 0.884 177.787 176.870 0.055 0.000 1.189 233 L CA 0.796 55.687 54.840 0.086 0.000 0.846 233 L CB 0.269 42.406 42.059 0.129 0.000 1.111 233 L HN 0.305 nan 8.230 nan 0.000 0.475 234 N N 2.509 121.230 118.700 0.035 0.000 2.653 234 N HA 0.584 5.323 4.740 -0.001 0.000 0.294 234 N C -2.468 173.024 175.510 -0.029 0.000 1.305 234 N CA -1.726 51.321 53.050 -0.005 0.000 0.827 234 N CB 0.180 38.648 38.487 -0.031 0.000 1.415 234 N HN 0.112 nan 8.380 nan 0.000 0.546 235 P HA -0.126 nan 4.420 nan 0.000 0.215 235 P C 0.681 177.945 177.300 -0.061 0.000 1.157 235 P CA 1.635 64.666 63.100 -0.115 0.000 0.868 235 P CB -0.062 31.543 31.700 -0.160 0.000 0.788 236 H N -1.486 117.514 119.070 -0.116 0.000 2.293 236 H HA -0.118 4.438 4.556 -0.001 0.000 0.300 236 H C 1.837 177.064 175.328 -0.167 0.000 1.082 236 H CA 0.532 56.493 56.048 -0.144 0.000 1.308 236 H CB -0.601 29.109 29.762 -0.087 0.000 1.375 236 H HN -0.031 nan 8.280 nan 0.000 0.495 237 L N 0.667 121.929 121.223 0.065 0.000 2.079 237 L HA -0.159 4.181 4.340 -0.001 0.000 0.210 237 L C 2.258 179.164 176.870 0.059 0.000 1.081 237 L CA 1.706 56.602 54.840 0.093 0.000 0.752 237 L CB -0.838 41.309 42.059 0.147 0.000 0.896 237 L HN 0.222 nan 8.230 nan 0.000 0.433 238 T N -1.094 113.450 114.554 -0.017 0.000 2.788 238 T HA -0.211 4.138 4.350 -0.001 0.000 0.268 238 T C 1.778 176.316 174.700 -0.270 0.000 1.044 238 T CA 1.434 63.475 62.100 -0.098 0.000 1.139 238 T CB -0.054 68.756 68.868 -0.097 0.000 0.867 238 T HN 0.424 nan 8.240 nan 0.000 0.454 239 E N 0.816 120.792 120.200 -0.374 0.000 2.051 239 E HA -0.153 4.196 4.350 -0.001 0.000 0.192 239 E C 2.285 178.244 176.600 -1.068 0.000 0.991 239 E CA 1.023 57.043 56.400 -0.634 0.000 0.799 239 E CB -0.024 29.343 29.700 -0.554 0.000 0.748 239 E HN 0.340 nan 8.360 nan 0.000 0.449 240 K N 0.389 120.266 120.400 -0.872 0.000 2.211 240 K HA -0.146 4.173 4.320 -0.001 0.000 0.203 240 K C 2.273 178.701 176.600 -0.288 0.000 1.050 240 K CA 0.582 56.426 56.287 -0.738 0.000 0.945 240 K CB -0.048 32.282 32.500 -0.284 0.000 0.732 240 K HN 0.102 nan 8.250 nan 0.000 0.451 241 L N 1.074 122.111 121.223 -0.310 0.000 2.017 241 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 241 L C 2.027 178.778 176.870 -0.198 0.000 1.073 241 L CA 1.768 56.333 54.840 -0.458 0.000 0.745 241 L CB -0.689 41.046 42.059 -0.541 0.000 0.894 241 L HN 0.205 nan 8.230 nan 0.000 0.432 242 C N -1.144 118.063 119.300 -0.155 0.000 2.435 242 C HA -0.120 4.339 4.460 -0.001 0.000 0.279 242 C C 2.392 177.499 174.990 0.194 0.000 1.321 242 C CA -0.038 58.986 59.018 0.011 0.000 1.752 242 C CB -1.409 26.358 27.740 0.044 0.000 1.959 242 C HN 0.758 nan 8.230 nan 0.000 0.500 243 W N 1.408 122.733 121.300 0.042 0.000 2.333 243 W HA -0.075 4.585 4.660 -0.001 0.000 0.316 243 W C 2.213 178.775 176.519 0.072 0.000 1.215 243 W CA 0.902 58.289 57.345 0.070 0.000 1.278 243 W CB -1.543 27.947 29.460 0.050 0.000 1.154 243 W HN 0.349 nan 8.180 nan 0.000 0.486 244 E N 0.117 120.507 120.200 0.316 0.000 2.396 244 E HA -0.112 4.237 4.350 -0.001 0.000 0.200 244 E C 2.147 178.909 176.600 0.271 0.000 1.023 244 E CA 0.849 57.408 56.400 0.266 0.000 0.857 244 E CB -0.544 29.312 29.700 0.260 0.000 0.775 244 E HN 0.378 nan 8.360 nan 0.000 0.525 245 L N 0.309 121.643 121.223 0.184 0.000 2.477 245 L HA 0.058 4.397 4.340 -0.001 0.000 0.220 245 L C 0.824 177.761 176.870 0.110 0.000 1.106 245 L CA -0.139 54.745 54.840 0.074 0.000 0.851 245 L CB 0.101 42.127 42.059 -0.054 0.000 0.994 245 L HN -0.183 nan 8.230 nan 0.000 0.462 246 S N 1.185 116.996 115.700 0.186 0.000 2.571 246 S HA -0.126 4.344 4.470 -0.001 0.000 0.298 246 S C 0.785 175.464 174.600 0.133 0.000 1.280 246 S CA 0.329 58.668 58.200 0.233 0.000 1.052 246 S CB -0.000 63.372 63.200 0.286 0.000 0.799 246 S HN 0.531 nan 8.310 nan 0.000 0.501 247 N N 0.321 119.109 118.700 0.146 0.000 2.756 247 N HA -0.179 4.560 4.740 -0.001 0.000 0.248 247 N C -0.447 175.082 175.510 0.033 0.000 1.062 247 N CA 1.197 54.287 53.050 0.067 0.000 0.696 247 N CB -1.220 37.258 38.487 -0.015 0.000 0.946 247 N HN 0.930 nan 8.380 nan 0.000 0.548 248 T N -4.162 110.412 114.554 0.033 0.000 2.843 248 T HA 0.592 4.941 4.350 -0.001 0.000 0.302 248 T C 0.547 175.236 174.700 -0.018 0.000 1.232 248 T CA -0.131 61.961 62.100 -0.015 0.000 1.009 248 T CB 1.012 69.860 68.868 -0.034 0.000 1.254 248 T HN 0.372 nan 8.240 nan 0.000 0.504 249 S N 0.910 116.567 115.700 -0.072 0.000 2.685 249 S HA 0.278 4.747 4.470 -0.001 0.000 0.240 249 S C 0.592 175.210 174.600 0.029 0.000 0.967 249 S CA -0.740 57.450 58.200 -0.017 0.000 1.009 249 S CB -1.093 62.071 63.200 -0.059 0.000 0.776 249 S HN 0.789 nan 8.310 nan 0.000 0.467 250 I N 1.116 121.680 120.570 -0.011 0.000 2.696 250 I HA 0.082 4.251 4.170 -0.001 0.000 0.284 250 I C 0.772 176.928 176.117 0.065 0.000 1.129 250 I CA 0.154 61.458 61.300 0.008 0.000 1.410 250 I CB 0.881 38.841 38.000 -0.066 0.000 1.399 250 I HN 0.274 nan 8.210 nan 0.000 0.579 251 Q N 3.611 123.464 119.800 0.088 0.000 2.506 251 Q HA 0.235 4.575 4.340 -0.001 0.000 0.239 251 Q C -0.454 175.579 176.000 0.056 0.000 0.782 251 Q CA -0.193 55.657 55.803 0.079 0.000 0.972 251 Q CB 0.416 29.216 28.738 0.103 0.000 1.304 251 Q HN 0.586 nan 8.270 nan 0.000 0.534 252 N N 1.486 120.216 118.700 0.051 0.000 2.437 252 N HA 0.397 5.136 4.740 -0.001 0.000 0.259 252 N C -1.680 173.834 175.510 0.007 0.000 0.983 252 N CA -0.159 52.908 53.050 0.030 0.000 0.937 252 N CB 1.345 39.842 38.487 0.017 0.000 1.122 252 N HN 0.031 nan 8.380 nan 0.000 0.499 253 L N 1.632 122.858 121.223 0.005 0.000 2.349 253 L HA 0.604 4.944 4.340 -0.001 0.000 0.278 253 L C -0.615 176.265 176.870 0.016 0.000 0.996 253 L CA -0.345 54.491 54.840 -0.007 0.000 0.825 253 L CB 1.717 43.768 42.059 -0.013 0.000 1.243 253 L HN 0.381 nan 8.230 nan 0.000 0.412 254 S N 4.883 120.596 115.700 0.021 0.000 2.498 254 S HA 0.698 5.168 4.470 -0.001 0.000 0.317 254 S C -0.352 174.284 174.600 0.061 0.000 1.090 254 S CA -0.406 57.820 58.200 0.043 0.000 1.089 254 S CB 0.700 63.921 63.200 0.034 0.000 0.997 254 S HN 0.624 nan 8.310 nan 0.000 0.470 255 L N 4.150 125.426 121.223 0.089 0.000 3.288 255 L HA 0.499 4.839 4.340 -0.001 0.000 0.293 255 L C 0.701 177.646 176.870 0.125 0.000 1.294 255 L CA -0.095 54.812 54.840 0.111 0.000 1.006 255 L CB 0.361 42.505 42.059 0.141 0.000 1.407 255 L HN 0.696 nan 8.230 nan 0.000 0.592 256 A N -0.402 122.490 122.820 0.120 0.000 2.386 256 A HA 0.347 4.666 4.320 -0.001 0.000 0.248 256 A C 0.967 178.632 177.584 0.135 0.000 1.082 256 A CA 0.005 52.135 52.037 0.153 0.000 0.789 256 A CB 0.047 19.146 19.000 0.166 0.000 1.025 256 A HN 0.488 nan 8.150 nan 0.000 0.490 257 N N 0.531 119.339 118.700 0.179 0.000 2.727 257 N HA -0.132 4.608 4.740 -0.001 0.000 0.251 257 N C -0.464 175.103 175.510 0.095 0.000 1.040 257 N CA 0.964 54.092 53.050 0.130 0.000 0.712 257 N CB -0.891 37.615 38.487 0.033 0.000 0.912 257 N HN 0.785 nan 8.380 nan 0.000 0.545 258 N N -0.021 118.745 118.700 0.110 0.000 3.201 258 N HA 0.298 5.038 4.740 -0.001 0.000 0.344 258 N C -0.136 175.422 175.510 0.081 0.000 1.465 258 N CA -0.356 52.746 53.050 0.086 0.000 0.731 258 N CB 0.278 38.821 38.487 0.093 0.000 1.677 258 N HN 0.051 nan 8.380 nan 0.000 0.631 259 Q N 1.011 120.848 119.800 0.062 0.000 2.640 259 Q HA 0.349 4.688 4.340 -0.001 0.000 0.389 259 Q C -0.857 175.165 176.000 0.037 0.000 1.012 259 Q CA -0.122 55.708 55.803 0.046 0.000 1.060 259 Q CB -0.044 28.709 28.738 0.024 0.000 1.332 259 Q HN 0.218 nan 8.270 nan 0.000 0.418 260 L N 0.681 121.940 121.223 0.060 0.000 2.397 260 L HA 0.248 4.587 4.340 -0.001 0.000 0.263 260 L C 0.072 176.972 176.870 0.050 0.000 1.136 260 L CA 0.438 55.307 54.840 0.049 0.000 1.019 260 L CB 0.034 42.145 42.059 0.088 0.000 1.352 260 L HN 0.491 nan 8.230 nan 0.000 0.420 261 L N 2.777 124.016 121.223 0.026 0.000 2.291 261 L HA 0.226 4.565 4.340 -0.001 0.000 0.214 261 L C 0.911 177.813 176.870 0.053 0.000 1.120 261 L CA 0.662 55.527 54.840 0.042 0.000 0.799 261 L CB -0.431 41.639 42.059 0.017 0.000 0.925 261 L HN 0.706 nan 8.230 nan 0.000 0.446 262 A N -0.741 122.089 122.820 0.018 0.000 2.612 262 A HA 0.637 4.956 4.320 -0.001 0.000 0.293 262 A C -0.592 176.976 177.584 -0.027 0.000 1.075 262 A CA -0.333 51.712 52.037 0.013 0.000 0.680 262 A CB 1.298 20.308 19.000 0.016 0.000 1.279 262 A HN 0.015 nan 8.150 nan 0.000 0.411 263 T N -1.001 113.530 114.554 -0.039 0.000 2.876 263 T HA 0.825 5.174 4.350 -0.001 0.000 0.289 263 T C -0.091 174.552 174.700 -0.096 0.000 1.014 263 T CA -0.327 61.721 62.100 -0.087 0.000 0.986 263 T CB 1.526 70.359 68.868 -0.058 0.000 1.021 263 T HN 0.868 nan 8.240 nan 0.000 0.458 264 S N 0.654 116.286 115.700 -0.113 0.000 2.798 264 S HA 0.435 4.905 4.470 -0.001 0.000 0.312 264 S C 0.987 175.556 174.600 -0.051 0.000 1.122 264 S CA -0.999 57.161 58.200 -0.066 0.000 0.949 264 S CB 1.801 64.981 63.200 -0.035 0.000 1.235 264 S HN 0.894 nan 8.310 nan 0.000 0.552 265 E N 0.935 121.139 120.200 0.006 0.000 2.216 265 E HA -0.105 4.245 4.350 -0.001 0.000 0.192 265 E C 1.837 178.516 176.600 0.131 0.000 0.988 265 E CA 1.021 57.474 56.400 0.089 0.000 0.834 265 E CB -0.009 29.754 29.700 0.105 0.000 0.772 265 E HN 0.618 nan 8.360 nan 0.000 0.479 266 S N -0.520 115.214 115.700 0.057 0.000 2.461 266 S HA -0.090 4.380 4.470 -0.001 0.000 0.228 266 S C 1.894 176.466 174.600 -0.046 0.000 1.005 266 S CA 1.246 59.473 58.200 0.046 0.000 0.942 266 S CB -0.325 62.916 63.200 0.069 0.000 0.776 266 S HN 0.151 nan 8.310 nan 0.000 0.514 267 T N 1.599 116.047 114.554 -0.176 0.000 2.624 267 T HA -0.089 4.261 4.350 -0.001 0.000 0.268 267 T C 0.645 174.970 174.700 -0.626 0.000 1.041 267 T CA 1.600 63.413 62.100 -0.480 0.000 1.159 267 T CB -0.581 67.868 68.868 -0.699 0.000 0.863 267 T HN 0.547 nan 8.240 nan 0.000 0.434 268 F N 1.346 121.296 119.950 -0.000 0.000 2.750 268 F HA 0.336 4.862 4.527 -0.001 0.000 0.297 268 F C 2.038 177.847 175.800 0.015 0.000 1.138 268 F CA -0.812 57.205 58.000 0.029 0.000 1.346 268 F CB -0.442 38.604 39.000 0.075 0.000 0.965 268 F HN 0.144 nan 8.300 nan 0.000 0.514 269 S N -0.797 114.913 115.700 0.017 0.000 2.387 269 S HA -0.062 4.407 4.470 -0.001 0.000 0.226 269 S C 2.357 176.828 174.600 -0.216 0.000 1.026 269 S CA 0.933 58.935 58.200 -0.330 0.000 0.972 269 S CB -0.952 62.035 63.200 -0.355 0.000 0.814 269 S HN 0.385 nan 8.310 nan 0.000 0.477 270 G N 1.017 109.906 108.800 0.148 0.000 2.586 270 G HA2 0.012 3.971 3.960 -0.001 0.000 0.215 270 G HA3 0.012 3.971 3.960 -0.001 0.000 0.215 270 G C 1.002 176.042 174.900 0.234 0.000 1.128 270 G CA 0.428 45.732 45.100 0.340 0.000 0.774 270 G HN 0.443 nan 8.290 nan 0.000 0.543 271 L N 0.393 121.693 121.223 0.128 0.000 2.567 271 L HA 0.195 4.534 4.340 -0.001 0.000 0.225 271 L C 2.587 179.491 176.870 0.056 0.000 1.119 271 L CA 0.738 55.654 54.840 0.127 0.000 0.871 271 L CB 0.036 42.192 42.059 0.161 0.000 1.036 271 L HN 0.423 nan 8.230 nan 0.000 0.459 272 K N -1.475 118.863 120.400 -0.103 0.000 2.360 272 K HA -0.184 4.135 4.320 -0.001 0.000 0.201 272 K C 0.614 177.055 176.600 -0.265 0.000 1.046 272 K CA 1.001 57.158 56.287 -0.216 0.000 0.945 272 K CB -0.143 32.066 32.500 -0.486 0.000 0.750 272 K HN 0.239 nan 8.250 nan 0.000 0.464 273 W N 3.274 124.601 121.300 0.044 0.000 2.987 273 W HA 0.183 4.842 4.660 -0.001 0.000 0.441 273 W C -0.215 176.322 176.519 0.031 0.000 0.853 273 W CA -0.088 57.275 57.345 0.031 0.000 2.222 273 W CB -0.505 28.963 29.460 0.013 0.000 1.139 273 W HN 0.118 nan 8.180 nan 0.000 0.819 274 T N -2.767 111.887 114.554 0.167 0.000 2.821 274 T HA 0.279 4.629 4.350 -0.001 0.000 0.306 274 T C -0.212 174.533 174.700 0.075 0.000 1.313 274 T CA -0.729 61.440 62.100 0.115 0.000 1.012 274 T CB 1.894 70.818 68.868 0.094 0.000 1.298 274 T HN -0.107 nan 8.240 nan 0.000 0.502 275 N N 1.738 120.475 118.700 0.062 0.000 2.920 275 N HA 0.203 4.943 4.740 -0.001 0.000 0.310 275 N C -0.317 175.211 175.510 0.030 0.000 1.384 275 N CA -0.350 52.724 53.050 0.040 0.000 1.083 275 N CB 0.158 38.670 38.487 0.043 0.000 1.389 275 N HN 0.537 nan 8.380 nan 0.000 0.521 276 L N 0.384 121.624 121.223 0.028 0.000 2.485 276 L HA 0.045 4.385 4.340 -0.001 0.000 0.275 276 L C 1.051 177.920 176.870 -0.002 0.000 1.207 276 L CA 1.060 55.913 54.840 0.021 0.000 0.855 276 L CB 0.982 43.053 42.059 0.020 0.000 1.114 276 L HN 0.164 nan 8.230 nan 0.000 0.485 277 T N 2.720 117.280 114.554 0.010 0.000 3.019 277 T HA 0.079 4.429 4.350 -0.001 0.000 0.247 277 T C 0.225 174.946 174.700 0.035 0.000 0.992 277 T CA 0.172 62.270 62.100 -0.003 0.000 1.036 277 T CB 0.555 69.443 68.868 0.033 0.000 1.063 277 T HN 0.569 nan 8.240 nan 0.000 0.476 278 Q N 0.788 120.643 119.800 0.091 0.000 2.337 278 Q HA 0.645 4.985 4.340 -0.001 0.000 0.270 278 Q C -2.182 173.853 176.000 0.057 0.000 1.043 278 Q CA -0.780 55.112 55.803 0.148 0.000 0.794 278 Q CB 1.838 30.681 28.738 0.174 0.000 1.281 278 Q HN 0.162 nan 8.270 nan 0.000 0.446 279 L N 3.306 124.556 121.223 0.045 0.000 2.438 279 L HA 0.527 4.866 4.340 -0.001 0.000 0.270 279 L C -1.871 175.026 176.870 0.044 0.000 0.972 279 L CA -0.312 54.535 54.840 0.013 0.000 0.831 279 L CB 2.053 44.080 42.059 -0.055 0.000 1.273 279 L HN 0.603 nan 8.230 nan 0.000 0.405 280 D N 4.765 125.200 120.400 0.058 0.000 2.303 280 D HA 0.413 5.052 4.640 -0.001 0.000 0.236 280 D C -0.117 176.250 176.300 0.112 0.000 1.068 280 D CA -0.054 53.999 54.000 0.088 0.000 0.830 280 D CB 1.390 42.240 40.800 0.084 0.000 1.109 280 D HN 0.678 nan 8.370 nan 0.000 0.496 281 L N 2.524 123.827 121.223 0.132 0.000 3.333 281 L HA 0.101 4.441 4.340 -0.001 0.000 0.299 281 L C 0.807 177.769 176.870 0.154 0.000 1.256 281 L CA -0.260 54.675 54.840 0.159 0.000 1.037 281 L CB 0.379 42.550 42.059 0.187 0.000 1.423 281 L HN 0.266 nan 8.230 nan 0.000 0.605 282 S N -1.565 114.228 115.700 0.156 0.000 2.596 282 S HA 0.150 4.619 4.470 -0.001 0.000 0.260 282 S C 0.391 175.121 174.600 0.216 0.000 1.336 282 S CA -0.167 58.117 58.200 0.139 0.000 0.993 282 S CB 0.091 63.397 63.200 0.176 0.000 0.923 282 S HN 0.316 nan 8.310 nan 0.000 0.567 283 Y N -0.245 120.161 120.300 0.177 0.000 3.108 283 Y HA -0.199 4.350 4.550 -0.001 0.000 0.208 283 Y C 0.954 176.913 175.900 0.098 0.000 1.245 283 Y CA 0.554 58.730 58.100 0.126 0.000 1.171 283 Y CB -2.277 36.211 38.460 0.047 0.000 1.331 283 Y HN 0.728 nan 8.280 nan 0.000 0.534 284 N N 0.042 118.853 118.700 0.184 0.000 2.159 284 N HA 0.072 4.811 4.740 -0.001 0.000 0.217 284 N C 0.159 175.741 175.510 0.118 0.000 1.223 284 N CA 0.559 53.697 53.050 0.146 0.000 0.896 284 N CB 0.310 38.880 38.487 0.138 0.000 1.064 284 N HN 0.625 nan 8.380 nan 0.000 0.518 285 N N 0.516 119.287 118.700 0.118 0.000 2.776 285 N HA -0.190 4.550 4.740 -0.001 0.000 0.250 285 N C -0.745 174.827 175.510 0.104 0.000 1.112 285 N CA -0.017 53.095 53.050 0.104 0.000 0.733 285 N CB -0.917 37.624 38.487 0.090 0.000 1.097 285 N HN 0.089 nan 8.380 nan 0.000 0.558 286 L N 1.209 122.490 121.223 0.095 0.000 2.615 286 L HA -0.034 4.306 4.340 -0.001 0.000 0.271 286 L C 1.559 178.495 176.870 0.109 0.000 1.183 286 L CA 1.031 55.928 54.840 0.094 0.000 0.933 286 L CB 0.314 42.421 42.059 0.079 0.000 1.199 286 L HN 0.195 nan 8.230 nan 0.000 0.487 287 H N 3.073 122.157 119.070 0.023 0.000 2.439 287 H HA 0.131 4.687 4.556 -0.001 0.000 0.299 287 H C -0.669 174.673 175.328 0.024 0.000 1.033 287 H CA 0.675 56.738 56.048 0.024 0.000 1.348 287 H CB 0.907 30.681 29.762 0.020 0.000 1.449 287 H HN 0.733 nan 8.280 nan 0.000 0.544 288 D N 1.110 121.514 120.400 0.007 0.000 2.686 288 D HA 0.168 4.807 4.640 -0.001 0.000 0.249 288 D C -0.629 175.653 176.300 -0.029 0.000 1.260 288 D CA -0.566 53.400 54.000 -0.056 0.000 0.910 288 D CB 2.180 42.977 40.800 -0.005 0.000 1.323 288 D HN -0.117 nan 8.370 nan 0.000 0.561 289 V N 1.946 121.828 119.914 -0.053 0.000 2.427 289 V HA 0.443 4.562 4.120 -0.001 0.000 0.268 289 V C 1.484 177.527 176.094 -0.085 0.000 1.046 289 V CA -0.175 62.086 62.300 -0.066 0.000 0.970 289 V CB 0.885 32.666 31.823 -0.071 0.000 1.001 289 V HN 0.696 nan 8.190 nan 0.000 0.476 290 G N 4.214 112.961 108.800 -0.089 0.000 2.667 290 G HA2 0.066 4.025 3.960 -0.001 0.000 0.250 290 G HA3 0.066 4.025 3.960 -0.001 0.000 0.250 290 G C 0.108 174.961 174.900 -0.078 0.000 1.212 290 G CA -0.618 44.440 45.100 -0.071 0.000 0.874 290 G HN 0.689 nan 8.290 nan 0.000 0.561 291 N N 0.263 118.930 118.700 -0.055 0.000 2.431 291 N HA 0.309 5.048 4.740 -0.001 0.000 0.265 291 N C 1.092 176.576 175.510 -0.044 0.000 1.184 291 N CA 1.098 54.119 53.050 -0.048 0.000 0.943 291 N CB 1.081 39.539 38.487 -0.047 0.000 1.080 291 N HN 1.074 nan 8.380 nan 0.000 0.477 292 G N 1.402 110.195 108.800 -0.011 0.000 2.160 292 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.244 292 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.244 292 G C 0.825 175.731 174.900 0.010 0.000 1.022 292 G CA 0.415 45.534 45.100 0.032 0.000 0.741 292 G HN 0.521 nan 8.290 nan 0.000 0.508 293 S N -0.843 114.791 115.700 -0.109 0.000 2.507 293 S HA 0.109 4.578 4.470 -0.001 0.000 0.235 293 S C 1.121 175.586 174.600 -0.225 0.000 0.988 293 S CA 1.187 59.251 58.200 -0.228 0.000 0.944 293 S CB -0.148 62.783 63.200 -0.449 0.000 0.762 293 S HN 0.481 nan 8.310 nan 0.000 0.526 294 F N 1.163 121.215 119.950 0.171 0.000 2.764 294 F HA 0.289 4.815 4.527 -0.001 0.000 0.310 294 F C 1.562 177.377 175.800 0.025 0.000 1.124 294 F CA -0.747 57.327 58.000 0.122 0.000 1.252 294 F CB -0.185 38.873 39.000 0.096 0.000 1.010 294 F HN 0.065 nan 8.300 nan 0.000 0.518 295 S N -1.543 114.209 115.700 0.088 0.000 2.555 295 S HA -0.126 4.344 4.470 -0.001 0.000 0.230 295 S C 0.898 175.261 174.600 -0.394 0.000 0.978 295 S CA 0.742 58.830 58.200 -0.186 0.000 0.934 295 S CB -0.680 62.392 63.200 -0.213 0.000 0.766 295 S HN 0.493 nan 8.310 nan 0.000 0.533 296 Y N 0.866 121.191 120.300 0.041 0.000 2.607 296 Y HA 0.480 5.030 4.550 -0.001 0.000 0.266 296 Y C 0.468 176.362 175.900 -0.010 0.000 1.178 296 Y CA -0.421 57.667 58.100 -0.019 0.000 1.226 296 Y CB 0.098 38.535 38.460 -0.037 0.000 1.144 296 Y HN 0.161 nan 8.280 nan 0.000 0.528 297 L N 3.062 124.349 121.223 0.107 0.000 2.959 297 L HA 0.269 4.608 4.340 -0.001 0.000 0.236 297 L C -1.749 175.098 176.870 -0.039 0.000 1.296 297 L CA -1.043 53.823 54.840 0.045 0.000 1.047 297 L CB 0.412 42.511 42.059 0.067 0.000 1.395 297 L HN -0.046 nan 8.230 nan 0.000 0.492 298 P HA 0.014 nan 4.420 nan 0.000 0.245 298 P C 1.039 178.273 177.300 -0.110 0.000 1.212 298 P CA 0.531 63.569 63.100 -0.104 0.000 0.774 298 P CB 0.738 32.375 31.700 -0.105 0.000 0.999 299 S N -1.049 114.598 115.700 -0.088 0.000 2.523 299 S HA 0.214 4.683 4.470 -0.001 0.000 0.217 299 S C 0.761 175.285 174.600 -0.126 0.000 0.996 299 S CA -0.400 57.740 58.200 -0.100 0.000 0.921 299 S CB -0.164 63.002 63.200 -0.056 0.000 0.829 299 S HN 0.102 nan 8.310 nan 0.000 0.495 300 L N 2.208 123.357 121.223 -0.125 0.000 2.453 300 L HA 0.199 4.538 4.340 -0.001 0.000 0.272 300 L C 1.179 177.908 176.870 -0.235 0.000 1.182 300 L CA 0.312 55.060 54.840 -0.152 0.000 0.858 300 L CB 0.695 42.672 42.059 -0.137 0.000 1.120 300 L HN 0.248 nan 8.230 nan 0.000 0.474 301 R N 2.536 122.822 120.500 -0.356 0.000 2.243 301 R HA 0.132 4.471 4.340 -0.001 0.000 0.193 301 R C -0.782 175.143 176.300 -0.626 0.000 0.933 301 R CA 0.144 55.887 56.100 -0.596 0.000 1.105 301 R CB 0.358 30.081 30.300 -0.962 0.000 1.169 301 R HN 0.389 nan 8.270 nan 0.000 0.599 302 Y N 0.959 121.254 120.300 -0.008 0.000 2.341 302 Y HA 0.530 5.080 4.550 -0.001 0.000 0.338 302 Y C -0.655 175.261 175.900 0.027 0.000 0.965 302 Y CA -1.404 56.720 58.100 0.040 0.000 1.108 302 Y CB 1.616 40.027 38.460 -0.083 0.000 1.180 302 Y HN -0.147 nan 8.280 nan 0.000 0.458 303 L N 2.843 124.195 121.223 0.215 0.000 2.409 303 L HA 0.679 5.019 4.340 -0.001 0.000 0.272 303 L C -0.683 176.298 176.870 0.184 0.000 0.980 303 L CA -0.421 54.471 54.840 0.086 0.000 0.826 303 L CB 2.130 44.123 42.059 -0.110 0.000 1.268 303 L HN 0.573 nan 8.230 nan 0.000 0.407 304 S N 5.071 120.865 115.700 0.158 0.000 2.498 304 S HA 0.583 5.052 4.470 -0.001 0.000 0.317 304 S C -0.305 174.366 174.600 0.119 0.000 1.090 304 S CA -0.483 57.822 58.200 0.176 0.000 1.089 304 S CB 0.841 64.157 63.200 0.193 0.000 0.997 304 S HN 0.608 nan 8.310 nan 0.000 0.470 305 L N 4.198 125.470 121.223 0.083 0.000 3.066 305 L HA 0.457 4.796 4.340 -0.001 0.000 0.265 305 L C 0.525 177.379 176.870 -0.026 0.000 1.232 305 L CA 0.201 55.072 54.840 0.051 0.000 1.031 305 L CB -0.312 41.782 42.059 0.059 0.000 1.379 305 L HN 0.745 nan 8.230 nan 0.000 0.563 306 E N -0.587 119.609 120.200 -0.008 0.000 2.404 306 E HA 0.072 4.421 4.350 -0.001 0.000 0.261 306 E C -0.635 175.858 176.600 -0.178 0.000 1.074 306 E CA -0.265 56.059 56.400 -0.126 0.000 0.917 306 E CB 0.188 29.918 29.700 0.051 0.000 0.965 306 E HN 0.096 nan 8.360 nan 0.000 0.433 307 Y N 0.190 120.299 120.300 -0.319 0.000 2.994 307 Y HA -0.275 4.275 4.550 -0.001 0.000 0.168 307 Y C -0.014 175.747 175.900 -0.233 0.000 1.648 307 Y CA 0.231 58.084 58.100 -0.411 0.000 0.924 307 Y CB -1.648 36.145 38.460 -1.112 0.000 1.415 307 Y HN 0.515 nan 8.280 nan 0.000 0.391 308 N N 0.221 118.869 118.700 -0.086 0.000 3.418 308 N HA 0.384 5.124 4.740 -0.001 0.000 0.316 308 N C -0.239 175.268 175.510 -0.005 0.000 1.601 308 N CA -0.911 52.128 53.050 -0.018 0.000 0.805 308 N CB 0.867 39.334 38.487 -0.034 0.000 1.873 308 N HN 0.301 nan 8.380 nan 0.000 0.615 309 N N 0.825 119.545 118.700 0.032 0.000 2.571 309 N HA 0.207 4.946 4.740 -0.001 0.000 0.298 309 N C -0.577 174.968 175.510 0.058 0.000 1.671 309 N CA -0.147 52.961 53.050 0.097 0.000 0.900 309 N CB 1.200 39.806 38.487 0.197 0.000 1.365 309 N HN 0.396 nan 8.380 nan 0.000 0.493 310 I N 1.692 122.233 120.570 -0.049 0.000 2.741 310 I HA -0.105 4.064 4.170 -0.001 0.000 0.288 310 I C 1.704 177.883 176.117 0.102 0.000 1.192 310 I CA 0.802 62.066 61.300 -0.061 0.000 1.426 310 I CB 0.789 38.668 38.000 -0.202 0.000 1.367 310 I HN 0.231 nan 8.210 nan 0.000 0.563 311 Q N 6.961 126.665 119.800 -0.160 0.000 2.107 311 Q HA 0.104 4.443 4.340 -0.001 0.000 0.195 311 Q C 0.296 176.298 176.000 0.004 0.000 0.964 311 Q CA 1.626 57.347 55.803 -0.136 0.000 0.833 311 Q CB 0.446 28.934 28.738 -0.417 0.000 0.910 311 Q HN 0.608 nan 8.270 nan 0.000 0.465 312 R N -0.560 119.936 120.500 -0.007 0.000 2.744 312 R HA 0.607 4.946 4.340 -0.001 0.000 0.279 312 R C -1.313 175.015 176.300 0.046 0.000 0.977 312 R CA -0.626 55.483 56.100 0.015 0.000 0.906 312 R CB 1.779 32.063 30.300 -0.027 0.000 1.197 312 R HN 0.109 nan 8.270 nan 0.000 0.463 313 L N 2.009 123.252 121.223 0.033 0.000 2.376 313 L HA 0.440 4.780 4.340 -0.001 0.000 0.275 313 L C -0.174 176.658 176.870 -0.064 0.000 0.987 313 L CA -0.561 54.261 54.840 -0.030 0.000 0.828 313 L CB 2.003 44.072 42.059 0.015 0.000 1.249 313 L HN 0.759 nan 8.230 nan 0.000 0.409 314 S N 3.292 118.951 115.700 -0.069 0.000 2.718 314 S HA 0.565 5.035 4.470 -0.001 0.000 0.300 314 S C -1.965 172.642 174.600 0.011 0.000 1.117 314 S CA -1.372 56.812 58.200 -0.027 0.000 1.002 314 S CB 1.778 64.972 63.200 -0.011 0.000 1.092 314 S HN 0.473 nan 8.310 nan 0.000 0.542 315 P HA 0.004 nan 4.420 nan 0.000 0.236 315 P C 0.608 178.090 177.300 0.304 0.000 1.172 315 P CA 0.722 63.908 63.100 0.144 0.000 0.759 315 P CB 0.049 31.816 31.700 0.111 0.000 0.843 316 R N -0.786 119.839 120.500 0.208 0.000 2.437 316 R HA 0.257 4.596 4.340 -0.001 0.000 0.257 316 R C 2.051 178.449 176.300 0.163 0.000 0.927 316 R CA 0.371 56.615 56.100 0.240 0.000 1.078 316 R CB -0.916 29.429 30.300 0.076 0.000 1.161 316 R HN -0.088 nan 8.270 nan 0.000 0.529 317 S N -0.294 115.432 115.700 0.042 0.000 2.368 317 S HA -0.050 4.420 4.470 -0.001 0.000 0.225 317 S C 0.559 175.084 174.600 -0.125 0.000 1.030 317 S CA 1.155 59.238 58.200 -0.194 0.000 0.999 317 S CB -0.120 62.763 63.200 -0.527 0.000 0.844 317 S HN 0.335 nan 8.310 nan 0.000 0.459 318 F N -0.129 120.041 119.950 0.368 0.000 2.772 318 F HA 0.341 4.868 4.527 -0.001 0.000 0.302 318 F C 0.109 176.047 175.800 0.231 0.000 1.136 318 F CA -1.029 57.186 58.000 0.359 0.000 1.322 318 F CB 0.058 39.247 39.000 0.314 0.000 0.967 318 F HN 0.077 nan 8.300 nan 0.000 0.513 319 Y N 1.525 121.837 120.300 0.019 0.000 2.729 319 Y HA 0.317 4.866 4.550 -0.001 0.000 0.331 319 Y C 1.117 176.853 175.900 -0.273 0.000 1.208 319 Y CA 0.975 58.734 58.100 -0.568 0.000 1.521 319 Y CB 0.334 38.466 38.460 -0.546 0.000 1.233 319 Y HN 0.404 nan 8.280 nan 0.000 0.539 320 G N 4.076 112.385 108.800 -0.819 0.000 2.316 320 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.203 320 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.203 320 G C 0.031 174.781 174.900 -0.250 0.000 0.999 320 G CA -0.055 44.711 45.100 -0.557 0.000 0.649 320 G HN 0.623 nan 8.290 nan 0.000 0.489 321 L N 3.376 124.533 121.223 -0.110 0.000 2.583 321 L HA 0.341 4.681 4.340 -0.001 0.000 0.239 321 L C 1.889 178.739 176.870 -0.033 0.000 1.347 321 L CA 0.422 55.226 54.840 -0.060 0.000 1.246 321 L CB 0.436 42.474 42.059 -0.035 0.000 1.496 321 L HN 0.366 nan 8.230 nan 0.000 0.413 322 S N -1.969 113.686 115.700 -0.074 0.000 2.593 322 S HA -0.012 4.458 4.470 -0.001 0.000 0.217 322 S C 1.244 175.804 174.600 -0.066 0.000 0.966 322 S CA -0.037 58.155 58.200 -0.013 0.000 0.914 322 S CB 0.002 63.172 63.200 -0.051 0.000 0.776 322 S HN 0.615 nan 8.310 nan 0.000 0.523 323 N N 0.327 118.931 118.700 -0.161 0.000 2.177 323 N HA 0.243 4.982 4.740 -0.001 0.000 0.218 323 N C -0.397 174.970 175.510 -0.238 0.000 1.182 323 N CA -0.148 52.707 53.050 -0.324 0.000 0.882 323 N CB 0.324 38.620 38.487 -0.318 0.000 1.052 323 N HN 0.309 nan 8.380 nan 0.000 0.519 324 L N 1.337 122.484 121.223 -0.127 0.000 2.461 324 L HA 0.123 4.463 4.340 -0.001 0.000 0.272 324 L C 1.302 178.143 176.870 -0.048 0.000 1.197 324 L CA 0.634 55.402 54.840 -0.120 0.000 0.836 324 L CB 0.756 42.745 42.059 -0.115 0.000 1.105 324 L HN -0.026 nan 8.230 nan 0.000 0.477 325 R N 2.103 122.566 120.500 -0.063 0.000 2.350 325 R HA 0.175 4.515 4.340 -0.001 0.000 0.199 325 R C -1.036 175.363 176.300 0.165 0.000 0.876 325 R CA -0.120 56.006 56.100 0.044 0.000 1.062 325 R CB 0.345 30.642 30.300 -0.004 0.000 1.263 325 R HN 0.588 nan 8.270 nan 0.000 0.641 326 Y N 0.902 121.228 120.300 0.043 0.000 2.361 326 Y HA 0.592 5.142 4.550 -0.001 0.000 0.337 326 Y C -1.784 174.185 175.900 0.116 0.000 0.965 326 Y CA -1.689 56.522 58.100 0.185 0.000 1.091 326 Y CB 1.433 40.044 38.460 0.253 0.000 1.182 326 Y HN -0.127 nan 8.280 nan 0.000 0.450 327 L N 5.790 126.830 121.223 -0.304 0.000 2.441 327 L HA 0.598 4.937 4.340 -0.001 0.000 0.270 327 L C -1.338 175.293 176.870 -0.398 0.000 0.973 327 L CA -0.190 54.491 54.840 -0.265 0.000 0.842 327 L CB 1.971 43.878 42.059 -0.253 0.000 1.239 327 L HN 0.600 nan 8.230 nan 0.000 0.406 328 S N 5.351 120.915 115.700 -0.226 0.000 2.456 328 S HA 0.613 5.083 4.470 -0.001 0.000 0.316 328 S C 0.009 174.580 174.600 -0.048 0.000 1.089 328 S CA -0.518 57.606 58.200 -0.127 0.000 1.101 328 S CB 0.613 63.857 63.200 0.074 0.000 0.995 328 S HN 0.725 nan 8.310 nan 0.000 0.468 329 L N 4.248 125.434 121.223 -0.063 0.000 3.066 329 L HA 0.379 4.719 4.340 -0.001 0.000 0.265 329 L C 0.672 177.489 176.870 -0.088 0.000 1.232 329 L CA -0.250 54.555 54.840 -0.059 0.000 1.031 329 L CB 0.189 42.279 42.059 0.052 0.000 1.379 329 L HN 0.587 nan 8.230 nan 0.000 0.563 330 K N 1.531 121.866 120.400 -0.108 0.000 2.436 330 K HA -0.055 4.265 4.320 -0.001 0.000 0.282 330 K C 0.727 177.135 176.600 -0.320 0.000 1.044 330 K CA -0.000 56.193 56.287 -0.156 0.000 1.028 330 K CB 0.280 32.708 32.500 -0.121 0.000 0.919 330 K HN 0.064 nan 8.250 nan 0.000 0.474 331 R N 2.242 122.593 120.500 -0.248 0.000 3.875 331 R HA -0.241 4.098 4.340 -0.001 0.000 0.321 331 R C 0.316 176.436 176.300 -0.299 0.000 1.196 331 R CA 1.192 57.106 56.100 -0.311 0.000 0.868 331 R CB -1.957 27.961 30.300 -0.636 0.000 1.333 331 R HN 0.752 nan 8.270 nan 0.000 0.522 332 A N -1.174 121.487 122.820 -0.265 0.000 2.251 332 A HA 0.287 4.607 4.320 -0.001 0.000 0.209 332 A C 0.368 177.688 177.584 -0.440 0.000 1.187 332 A CA 0.374 52.200 52.037 -0.353 0.000 0.823 332 A CB -0.009 18.747 19.000 -0.406 0.000 0.846 332 A HN 0.196 nan 8.150 nan 0.000 0.486 333 F N -1.099 118.836 119.950 -0.026 0.000 2.461 333 F HA 0.389 4.915 4.527 -0.001 0.000 0.337 333 F C 1.140 176.950 175.800 0.016 0.000 1.079 333 F CA -0.674 57.327 58.000 0.002 0.000 1.032 333 F CB 0.287 39.294 39.000 0.012 0.000 1.327 333 F HN -0.262 nan 8.300 nan 0.000 0.491 334 T N 1.985 116.720 114.554 0.302 0.000 2.871 334 T HA 0.073 4.423 4.350 -0.001 0.000 0.296 334 T C 0.319 175.112 174.700 0.155 0.000 0.998 334 T CA -0.021 62.191 62.100 0.186 0.000 1.162 334 T CB 0.028 68.989 68.868 0.155 0.000 0.947 334 T HN 0.356 nan 8.240 nan 0.000 0.536 335 K N 2.550 123.022 120.400 0.121 0.000 2.462 335 K HA 0.119 4.438 4.320 -0.001 0.000 0.257 335 K C 1.742 178.397 176.600 0.092 0.000 1.062 335 K CA -0.365 55.983 56.287 0.100 0.000 0.923 335 K CB 0.234 32.787 32.500 0.089 0.000 1.210 335 K HN 0.459 nan 8.250 nan 0.000 0.502 336 Q N 0.427 120.276 119.800 0.082 0.000 2.062 336 Q HA -0.019 4.320 4.340 -0.001 0.000 0.196 336 Q C -0.220 175.819 176.000 0.064 0.000 0.967 336 Q CA 0.818 56.666 55.803 0.075 0.000 0.832 336 Q CB -0.203 28.578 28.738 0.071 0.000 0.899 336 Q HN 0.717 nan 8.270 nan 0.000 0.442 337 S N -1.145 114.591 115.700 0.061 0.000 3.423 337 S HA -0.156 4.314 4.470 -0.001 0.000 0.847 337 S C 0.815 175.442 174.600 0.044 0.000 1.172 337 S CA 0.190 58.420 58.200 0.051 0.000 0.998 337 S CB -0.972 62.255 63.200 0.046 0.000 0.656 337 S HN 0.771 nan 8.310 nan 0.000 0.293 338 V N 0.868 120.805 119.914 0.038 0.000 2.343 338 V HA 0.015 4.134 4.120 -0.001 0.000 0.247 338 V C 2.264 178.375 176.094 0.029 0.000 1.051 338 V CA 2.677 64.997 62.300 0.033 0.000 1.036 338 V CB -1.641 30.199 31.823 0.029 0.000 0.654 338 V HN 1.990 nan 8.190 nan 0.000 0.451 339 S N 0.264 115.980 115.700 0.026 0.000 2.650 339 S HA 0.290 4.759 4.470 -0.001 0.000 0.182 339 S C 0.817 175.432 174.600 0.024 0.000 0.832 339 S CA -0.020 58.193 58.200 0.023 0.000 0.860 339 S CB -0.791 62.420 63.200 0.018 0.000 0.818 339 S HN 0.454 nan 8.310 nan 0.000 0.600 340 L N 2.230 123.465 121.223 0.021 0.000 2.483 340 L HA 0.393 4.732 4.340 -0.001 0.000 0.276 340 L C 0.484 177.370 176.870 0.028 0.000 1.213 340 L CA -0.205 54.646 54.840 0.019 0.000 0.843 340 L CB 0.698 42.763 42.059 0.009 0.000 1.107 340 L HN 0.607 nan 8.230 nan 0.000 0.487 341 A N 2.924 125.764 122.820 0.033 0.000 3.056 341 A HA 0.318 4.638 4.320 -0.001 0.000 0.274 341 A C 0.229 177.847 177.584 0.055 0.000 1.661 341 A CA -0.415 51.657 52.037 0.059 0.000 1.363 341 A CB -0.659 18.385 19.000 0.073 0.000 1.139 341 A HN 0.641 nan 8.150 nan 0.000 0.598 342 S N 1.544 117.263 115.700 0.030 0.000 2.499 342 S HA 0.637 5.107 4.470 -0.001 0.000 0.279 342 S C -0.407 174.205 174.600 0.020 0.000 1.219 342 S CA -0.618 57.558 58.200 -0.039 0.000 1.062 342 S CB 0.496 63.688 63.200 -0.013 0.000 0.978 342 S HN 0.856 nan 8.310 nan 0.000 0.489 343 H N -0.266 118.820 119.070 0.027 0.000 2.865 343 H HA 0.720 5.275 4.556 -0.001 0.000 0.362 343 H C -3.261 172.057 175.328 -0.017 0.000 1.114 343 H CA -2.227 53.826 56.048 0.008 0.000 1.208 343 H CB 0.731 30.491 29.762 -0.003 0.000 1.727 343 H HN 0.360 nan 8.280 nan 0.000 0.534 344 P HA 0.098 nan 4.420 nan 0.000 0.271 344 P C -0.898 176.392 177.300 -0.016 0.000 1.244 344 P CA -0.432 62.657 63.100 -0.018 0.000 0.793 344 P CB 0.726 32.285 31.700 -0.234 0.000 0.984 345 N N 0.298 118.962 118.700 -0.060 0.000 2.664 345 N HA 0.333 5.072 4.740 -0.001 0.000 0.257 345 N C -0.443 175.012 175.510 -0.091 0.000 1.108 345 N CA -0.523 52.503 53.050 -0.040 0.000 0.822 345 N CB 0.446 38.938 38.487 0.008 0.000 1.199 345 N HN 0.409 nan 8.380 nan 0.000 0.529 346 I N -0.852 119.620 120.570 -0.163 0.000 2.395 346 I HA 0.540 4.709 4.170 -0.001 0.000 0.289 346 I C -0.638 175.412 176.117 -0.112 0.000 1.023 346 I CA -0.563 60.659 61.300 -0.130 0.000 1.350 346 I CB 0.681 38.591 38.000 -0.151 0.000 1.409 346 I HN 0.312 nan 8.210 nan 0.000 0.507 347 D N 4.750 125.093 120.400 -0.095 0.000 2.326 347 D HA 0.286 4.925 4.640 -0.001 0.000 0.248 347 D C -0.789 175.451 176.300 -0.098 0.000 1.001 347 D CA -0.697 53.255 54.000 -0.079 0.000 0.961 347 D CB 0.750 41.531 40.800 -0.031 0.000 1.183 347 D HN 0.493 nan 8.370 nan 0.000 0.502 348 D N 0.317 120.653 120.400 -0.107 0.000 2.629 348 D HA -0.091 4.548 4.640 -0.001 0.000 0.228 348 D C 0.135 176.411 176.300 -0.040 0.000 1.127 348 D CA 0.781 54.651 54.000 -0.216 0.000 0.855 348 D CB 0.178 40.814 40.800 -0.273 0.000 1.180 348 D HN 0.493 nan 8.370 nan 0.000 0.484 349 F N -0.412 119.489 119.950 -0.081 0.000 2.502 349 F HA -0.330 4.196 4.527 -0.001 0.000 0.480 349 F C 2.180 177.915 175.800 -0.109 0.000 0.543 349 F CA 0.843 58.789 58.000 -0.090 0.000 1.350 349 F CB -2.047 36.885 39.000 -0.113 0.000 1.999 349 F HN 0.312 nan 8.300 nan 0.000 0.267 350 S N -0.430 115.244 115.700 -0.042 0.000 2.434 350 S HA -0.239 4.231 4.470 -0.001 0.000 0.243 350 S C 1.175 175.742 174.600 -0.055 0.000 1.045 350 S CA 2.024 60.127 58.200 -0.161 0.000 1.019 350 S CB -0.516 62.429 63.200 -0.426 0.000 0.811 350 S HN 0.465 nan 8.310 nan 0.000 0.485 351 F N 1.500 121.606 119.950 0.261 0.000 2.647 351 F HA 0.231 4.758 4.527 -0.001 0.000 0.300 351 F C 1.964 177.838 175.800 0.124 0.000 1.106 351 F CA -0.829 57.312 58.000 0.235 0.000 1.313 351 F CB -0.545 38.549 39.000 0.157 0.000 1.007 351 F HN 0.229 nan 8.300 nan 0.000 0.536 352 Q N -0.458 119.405 119.800 0.106 0.000 2.291 352 Q HA -0.193 4.147 4.340 -0.001 0.000 0.206 352 Q C 0.997 176.903 176.000 -0.157 0.000 0.976 352 Q CA 1.868 57.608 55.803 -0.105 0.000 0.875 352 Q CB -0.590 27.943 28.738 -0.341 0.000 0.927 352 Q HN 0.626 nan 8.270 nan 0.000 0.450 353 W N 1.066 122.503 121.300 0.228 0.000 2.737 353 W HA 0.246 4.905 4.660 -0.001 0.000 0.262 353 W C 0.330 176.923 176.519 0.123 0.000 1.282 353 W CA -0.684 56.753 57.345 0.154 0.000 1.386 353 W CB 0.285 29.830 29.460 0.142 0.000 1.099 353 W HN -0.072 nan 8.180 nan 0.000 0.621 354 L N 3.277 124.701 121.223 0.335 0.000 2.376 354 L HA 0.060 4.399 4.340 -0.001 0.000 0.250 354 L C 1.141 178.106 176.870 0.159 0.000 1.335 354 L CA 0.251 55.209 54.840 0.196 0.000 1.214 354 L CB -0.550 41.580 42.059 0.117 0.000 1.395 354 L HN -0.044 nan 8.230 nan 0.000 0.424 355 K N -1.553 118.959 120.400 0.187 0.000 2.387 355 K HA 0.019 4.339 4.320 -0.001 0.000 0.198 355 K C 0.662 177.317 176.600 0.091 0.000 1.022 355 K CA 0.535 56.897 56.287 0.125 0.000 1.128 355 K CB -0.125 32.443 32.500 0.114 0.000 0.853 355 K HN 0.311 nan 8.250 nan 0.000 0.523 356 Y N -0.247 120.063 120.300 0.018 0.000 2.563 356 Y HA 0.340 4.889 4.550 -0.001 0.000 0.250 356 Y C -0.083 175.816 175.900 -0.002 0.000 1.126 356 Y CA -1.087 57.015 58.100 0.003 0.000 1.231 356 Y CB 0.852 39.307 38.460 -0.009 0.000 1.288 356 Y HN 0.036 nan 8.280 nan 0.000 0.537 357 L N 2.269 123.572 121.223 0.132 0.000 2.525 357 L HA -0.001 4.338 4.340 -0.001 0.000 0.278 357 L C 1.122 178.026 176.870 0.057 0.000 1.218 357 L CA 1.036 55.915 54.840 0.064 0.000 0.878 357 L CB 0.556 42.608 42.059 -0.012 0.000 1.127 357 L HN 0.379 nan 8.230 nan 0.000 0.492 358 E N 3.580 123.845 120.200 0.109 0.000 2.508 358 E HA 0.017 4.366 4.350 -0.001 0.000 0.217 358 E C -0.661 176.088 176.600 0.248 0.000 0.896 358 E CA -0.181 56.303 56.400 0.140 0.000 1.118 358 E CB 0.353 30.173 29.700 0.200 0.000 1.133 358 E HN 0.508 nan 8.360 nan 0.000 0.526 359 Y N 1.157 121.498 120.300 0.069 0.000 2.391 359 Y HA 0.521 5.070 4.550 -0.001 0.000 0.341 359 Y C -1.683 174.108 175.900 -0.182 0.000 0.965 359 Y CA -1.461 56.651 58.100 0.020 0.000 1.067 359 Y CB 1.881 40.374 38.460 0.055 0.000 1.199 359 Y HN 0.023 nan 8.280 nan 0.000 0.450 360 L N 7.614 128.333 121.223 -0.840 0.000 2.518 360 L HA 0.443 4.782 4.340 -0.001 0.000 0.262 360 L C -1.856 174.576 176.870 -0.730 0.000 0.982 360 L CA -0.368 54.067 54.840 -0.676 0.000 0.873 360 L CB 1.176 42.945 42.059 -0.484 0.000 1.198 360 L HN 0.768 nan 8.230 nan 0.000 0.427 361 N N 5.829 124.130 118.700 -0.665 0.000 2.419 361 N HA 0.372 5.111 4.740 -0.001 0.000 0.264 361 N C -0.487 174.914 175.510 -0.181 0.000 1.031 361 N CA -0.139 52.684 53.050 -0.378 0.000 0.951 361 N CB 1.090 39.473 38.487 -0.173 0.000 1.101 361 N HN 0.765 nan 8.380 nan 0.000 0.488 362 M N 1.827 121.353 119.600 -0.123 0.000 2.911 362 M HA 0.164 4.643 4.480 -0.001 0.000 0.381 362 M C -0.854 175.409 176.300 -0.061 0.000 1.287 362 M CA -0.608 54.671 55.300 -0.036 0.000 0.858 362 M CB 0.353 32.964 32.600 0.018 0.000 1.385 362 M HN 0.254 nan 8.290 nan 0.000 0.504 363 D N 1.664 122.024 120.400 -0.067 0.000 2.382 363 D HA 0.068 4.707 4.640 -0.001 0.000 0.240 363 D C 0.093 176.358 176.300 -0.058 0.000 1.146 363 D CA 0.962 54.925 54.000 -0.061 0.000 0.897 363 D CB 0.462 41.240 40.800 -0.037 0.000 1.197 363 D HN 0.196 nan 8.370 nan 0.000 0.432 364 D N 1.102 121.472 120.400 -0.049 0.000 2.848 364 D HA -0.156 4.483 4.640 -0.001 0.000 0.245 364 D C -0.686 175.606 176.300 -0.014 0.000 1.122 364 D CA 0.710 54.690 54.000 -0.032 0.000 0.769 364 D CB -0.917 39.855 40.800 -0.047 0.000 1.025 364 D HN 0.340 nan 8.370 nan 0.000 0.423 365 N N -0.170 118.528 118.700 -0.004 0.000 2.825 365 N HA 0.288 5.027 4.740 -0.001 0.000 0.253 365 N C -0.209 175.312 175.510 0.018 0.000 1.426 365 N CA -0.649 52.430 53.050 0.049 0.000 0.851 365 N CB 0.848 39.399 38.487 0.108 0.000 1.470 365 N HN -0.068 nan 8.380 nan 0.000 0.517 366 N N 0.160 118.885 118.700 0.042 0.000 2.401 366 N HA 0.272 5.012 4.740 -0.001 0.000 0.264 366 N C -0.438 175.088 175.510 0.025 0.000 1.238 366 N CA -0.231 52.850 53.050 0.050 0.000 0.889 366 N CB 0.461 39.003 38.487 0.093 0.000 1.196 366 N HN 0.384 nan 8.380 nan 0.000 0.511 367 I N 1.081 121.625 120.570 -0.044 0.000 2.710 367 I HA 0.039 4.208 4.170 -0.001 0.000 0.286 367 I C -1.217 174.967 176.117 0.111 0.000 1.181 367 I CA -1.962 59.319 61.300 -0.032 0.000 1.430 367 I CB 0.260 38.228 38.000 -0.053 0.000 1.367 367 I HN 0.004 nan 8.210 nan 0.000 0.577 368 P HA -0.066 nan 4.420 nan 0.000 0.215 368 P C 0.228 177.556 177.300 0.046 0.000 1.157 368 P CA 1.186 64.266 63.100 -0.033 0.000 0.859 368 P CB 0.349 31.919 31.700 -0.216 0.000 0.786 369 S N -4.066 111.655 115.700 0.035 0.000 2.654 369 S HA 0.315 4.784 4.470 -0.001 0.000 0.267 369 S C -0.639 173.838 174.600 -0.205 0.000 1.151 369 S CA -0.441 57.610 58.200 -0.248 0.000 0.873 369 S CB 0.067 63.085 63.200 -0.304 0.000 1.181 369 S HN 0.128 nan 8.310 nan 0.000 0.489 370 T N -0.347 113.969 114.554 -0.397 0.000 2.847 370 T HA 0.687 5.036 4.350 -0.001 0.000 0.279 370 T C -0.445 174.114 174.700 -0.236 0.000 0.984 370 T CA -0.616 61.334 62.100 -0.251 0.000 0.988 370 T CB 0.562 69.278 68.868 -0.253 0.000 1.040 370 T HN 0.765 nan 8.240 nan 0.000 0.528 371 K N 0.470 120.729 120.400 -0.235 0.000 2.328 371 K HA 0.406 4.726 4.320 -0.001 0.000 0.246 371 K C 1.229 177.683 176.600 -0.243 0.000 0.955 371 K CA -0.653 55.500 56.287 -0.223 0.000 0.817 371 K CB 1.761 34.136 32.500 -0.209 0.000 1.208 371 K HN 0.756 nan 8.250 nan 0.000 0.432 372 S N 0.737 116.303 115.700 -0.224 0.000 2.559 372 S HA -0.137 4.332 4.470 -0.001 0.000 0.250 372 S C 0.572 175.006 174.600 -0.277 0.000 0.977 372 S CA 1.162 59.219 58.200 -0.237 0.000 0.958 372 S CB -0.269 62.816 63.200 -0.192 0.000 0.751 372 S HN 0.603 nan 8.310 nan 0.000 0.534 373 N N -0.697 117.804 118.700 -0.333 0.000 2.286 373 N HA 0.142 4.882 4.740 -0.001 0.000 0.245 373 N C 0.097 175.326 175.510 -0.469 0.000 1.363 373 N CA 0.254 53.025 53.050 -0.466 0.000 0.822 373 N CB 0.691 38.724 38.487 -0.756 0.000 1.345 373 N HN 0.265 nan 8.380 nan 0.000 0.494 374 T N -0.439 113.890 114.554 -0.376 0.000 2.788 374 T HA 0.004 4.354 4.350 -0.001 0.000 0.268 374 T C 0.975 175.453 174.700 -0.371 0.000 1.044 374 T CA 1.219 63.051 62.100 -0.448 0.000 1.139 374 T CB -0.055 68.423 68.868 -0.650 0.000 0.867 374 T HN 0.176 nan 8.240 nan 0.000 0.454 375 F N 0.672 120.638 119.950 0.027 0.000 2.678 375 F HA 0.313 4.839 4.527 -0.001 0.000 0.305 375 F C 1.232 177.047 175.800 0.026 0.000 1.090 375 F CA -0.639 57.397 58.000 0.060 0.000 1.272 375 F CB -0.546 38.453 39.000 -0.002 0.000 1.060 375 F HN -0.170 nan 8.300 nan 0.000 0.576 376 T N 0.432 115.033 114.554 0.078 0.000 2.933 376 T HA 0.310 4.659 4.350 -0.001 0.000 0.306 376 T C 1.275 176.057 174.700 0.137 0.000 1.045 376 T CA 1.687 63.821 62.100 0.057 0.000 1.143 376 T CB 0.258 69.069 68.868 -0.095 0.000 1.003 376 T HN 0.682 nan 8.240 nan 0.000 0.540 377 G N 2.721 111.598 108.800 0.129 0.000 2.258 377 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.233 377 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.233 377 G C 0.379 175.338 174.900 0.099 0.000 1.006 377 G CA -0.332 44.832 45.100 0.107 0.000 0.620 377 G HN 0.687 nan 8.290 nan 0.000 0.511 378 L N 2.701 123.989 121.223 0.108 0.000 2.388 378 L HA 0.287 4.627 4.340 -0.001 0.000 0.252 378 L C 1.941 178.824 176.870 0.021 0.000 1.357 378 L CA 0.193 55.064 54.840 0.052 0.000 1.214 378 L CB 0.379 42.444 42.059 0.010 0.000 1.392 378 L HN 0.345 nan 8.230 nan 0.000 0.432 379 V N -2.742 117.183 119.914 0.018 0.000 3.577 379 V HA 0.135 4.255 4.120 -0.001 0.000 0.294 379 V C 1.122 177.190 176.094 -0.043 0.000 1.317 379 V CA 0.439 62.738 62.300 -0.002 0.000 1.169 379 V CB 0.157 31.974 31.823 -0.010 0.000 1.011 379 V HN 0.599 nan 8.190 nan 0.000 0.426 380 S N -0.202 115.466 115.700 -0.053 0.000 2.900 380 S HA 0.436 4.905 4.470 -0.001 0.000 0.253 380 S C 0.304 174.867 174.600 -0.061 0.000 1.029 380 S CA -0.437 57.721 58.200 -0.070 0.000 1.096 380 S CB 0.288 63.433 63.200 -0.091 0.000 1.067 380 S HN 0.454 nan 8.310 nan 0.000 0.610 381 L N 2.380 123.558 121.223 -0.075 0.000 2.525 381 L HA 0.122 4.461 4.340 -0.001 0.000 0.278 381 L C 0.938 177.703 176.870 -0.175 0.000 1.218 381 L CA 0.740 55.511 54.840 -0.115 0.000 0.878 381 L CB 0.677 42.641 42.059 -0.158 0.000 1.127 381 L HN 0.235 nan 8.230 nan 0.000 0.492 382 K N 3.251 123.504 120.400 -0.245 0.000 2.485 382 K HA 0.122 4.441 4.320 -0.001 0.000 0.200 382 K C -0.901 175.278 176.600 -0.702 0.000 1.344 382 K CA 0.190 56.135 56.287 -0.570 0.000 0.948 382 K CB 0.642 32.610 32.500 -0.887 0.000 1.454 382 K HN 0.350 nan 8.250 nan 0.000 0.502 383 Y N 1.604 121.866 120.300 -0.063 0.000 2.328 383 Y HA 0.437 4.987 4.550 -0.001 0.000 0.333 383 Y C -0.692 175.047 175.900 -0.269 0.000 0.958 383 Y CA -1.248 56.802 58.100 -0.084 0.000 1.167 383 Y CB 1.334 39.861 38.460 0.111 0.000 1.151 383 Y HN -0.125 nan 8.280 nan 0.000 0.470 384 L N 3.234 124.355 121.223 -0.170 0.000 2.343 384 L HA 0.599 4.939 4.340 -0.001 0.000 0.278 384 L C -0.469 176.272 176.870 -0.215 0.000 0.996 384 L CA -0.394 54.269 54.840 -0.295 0.000 0.831 384 L CB 1.596 43.440 42.059 -0.359 0.000 1.232 384 L HN 0.554 nan 8.230 nan 0.000 0.413 385 S N 5.401 120.954 115.700 -0.246 0.000 2.451 385 S HA 0.701 5.170 4.470 -0.001 0.000 0.301 385 S C -0.156 174.381 174.600 -0.105 0.000 1.116 385 S CA -0.469 57.646 58.200 -0.141 0.000 1.093 385 S CB 0.527 63.644 63.200 -0.139 0.000 1.017 385 S HN 0.688 nan 8.310 nan 0.000 0.482 386 L N 3.738 124.937 121.223 -0.041 0.000 3.320 386 L HA 0.292 4.631 4.340 -0.001 0.000 0.331 386 L C 0.244 177.104 176.870 -0.017 0.000 1.306 386 L CA -0.230 54.591 54.840 -0.031 0.000 0.892 386 L CB 0.939 43.063 42.059 0.110 0.000 1.337 386 L HN 0.578 nan 8.230 nan 0.000 0.604 387 S N 1.314 117.002 115.700 -0.020 0.000 2.505 387 S HA 0.177 4.646 4.470 -0.001 0.000 0.276 387 S C 0.692 175.276 174.600 -0.027 0.000 1.274 387 S CA 0.139 58.339 58.200 0.000 0.000 1.053 387 S CB 0.246 63.448 63.200 0.003 0.000 0.919 387 S HN 0.466 nan 8.310 nan 0.000 0.490 388 K N 3.134 123.526 120.400 -0.013 0.000 3.244 388 K HA -0.151 4.169 4.320 -0.001 0.000 0.270 388 K C 0.137 176.701 176.600 -0.059 0.000 1.016 388 K CA 1.182 57.456 56.287 -0.023 0.000 0.754 388 K CB -1.660 30.832 32.500 -0.014 0.000 1.326 388 K HN 0.742 nan 8.250 nan 0.000 0.465 389 T N -0.245 114.227 114.554 -0.137 0.000 2.999 389 T HA 0.231 4.580 4.350 -0.001 0.000 0.247 389 T C 0.129 174.586 174.700 -0.405 0.000 1.012 389 T CA 0.427 62.315 62.100 -0.354 0.000 1.048 389 T CB 0.060 68.538 68.868 -0.650 0.000 1.020 389 T HN 0.217 nan 8.240 nan 0.000 0.478 390 F N 1.444 121.433 119.950 0.064 0.000 2.523 390 F HA 0.501 5.027 4.527 -0.001 0.000 0.329 390 F C 1.566 177.405 175.800 0.066 0.000 1.061 390 F CA -0.909 57.122 58.000 0.051 0.000 0.967 390 F CB 1.553 40.585 39.000 0.053 0.000 1.218 390 F HN -0.062 nan 8.300 nan 0.000 0.480 391 T N -4.547 110.165 114.554 0.263 0.000 2.989 391 T HA 0.092 4.442 4.350 -0.001 0.000 0.250 391 T C 0.787 175.562 174.700 0.125 0.000 0.981 391 T CA 0.326 62.532 62.100 0.176 0.000 0.980 391 T CB 0.003 68.935 68.868 0.107 0.000 1.133 391 T HN 0.358 nan 8.240 nan 0.000 0.489 392 S N 0.424 116.172 115.700 0.080 0.000 2.457 392 S HA 0.575 5.044 4.470 -0.001 0.000 0.237 392 S C 0.299 174.882 174.600 -0.029 0.000 1.213 392 S CA -0.687 57.518 58.200 0.008 0.000 1.218 392 S CB -0.390 62.784 63.200 -0.043 0.000 0.922 392 S HN 0.477 nan 8.310 nan 0.000 0.488 393 L N 0.868 122.091 121.223 -0.001 0.000 3.058 393 L HA 0.426 4.765 4.340 -0.001 0.000 0.179 393 L C 1.328 178.173 176.870 -0.041 0.000 1.400 393 L CA 0.628 55.423 54.840 -0.075 0.000 1.241 393 L CB -0.054 41.951 42.059 -0.089 0.000 1.515 393 L HN 0.432 nan 8.230 nan 0.000 0.724 394 Q N -1.426 118.383 119.800 0.014 0.000 3.374 394 Q HA -0.210 4.130 4.340 -0.001 0.000 0.194 394 Q C -0.459 175.533 176.000 -0.013 0.000 2.268 394 Q CA 1.822 57.640 55.803 0.024 0.000 0.784 394 Q CB -1.238 27.507 28.738 0.012 0.000 0.709 394 Q HN 0.556 nan 8.270 nan 0.000 0.836 395 T N 0.820 115.342 114.554 -0.054 0.000 2.841 395 T HA 0.660 5.010 4.350 -0.001 0.000 0.285 395 T C -0.527 174.102 174.700 -0.118 0.000 0.991 395 T CA -0.625 61.430 62.100 -0.075 0.000 0.966 395 T CB 1.046 69.866 68.868 -0.080 0.000 0.962 395 T HN 0.138 nan 8.240 nan 0.000 0.438 396 L N 3.638 124.792 121.223 -0.115 0.000 2.312 396 L HA 0.686 5.026 4.340 -0.001 0.000 0.281 396 L C 0.964 177.720 176.870 -0.191 0.000 1.070 396 L CA -0.728 54.003 54.840 -0.182 0.000 0.805 396 L CB 1.264 43.242 42.059 -0.135 0.000 1.174 396 L HN 0.753 nan 8.230 nan 0.000 0.434 397 T N -2.383 112.039 114.554 -0.219 0.000 2.907 397 T HA 0.191 4.541 4.350 -0.001 0.000 0.290 397 T C 0.803 175.430 174.700 -0.121 0.000 1.066 397 T CA -0.878 61.126 62.100 -0.160 0.000 1.012 397 T CB 1.351 70.140 68.868 -0.132 0.000 1.184 397 T HN 0.629 nan 8.240 nan 0.000 0.522 398 N N 0.438 119.102 118.700 -0.059 0.000 2.651 398 N HA -0.114 4.625 4.740 -0.001 0.000 0.193 398 N C 0.452 176.109 175.510 0.245 0.000 1.149 398 N CA 0.682 53.755 53.050 0.039 0.000 0.933 398 N CB -0.242 38.246 38.487 0.002 0.000 0.974 398 N HN 0.732 nan 8.380 nan 0.000 0.448 399 E N -1.146 119.107 120.200 0.089 0.000 2.676 399 E HA 0.094 4.444 4.350 -0.001 0.000 0.225 399 E C 0.749 177.252 176.600 -0.162 0.000 0.944 399 E CA 0.117 56.531 56.400 0.023 0.000 1.156 399 E CB 0.116 29.789 29.700 -0.045 0.000 1.117 399 E HN 0.272 nan 8.360 nan 0.000 0.523 400 T N 0.689 115.091 114.554 -0.253 0.000 2.746 400 T HA -0.073 4.277 4.350 -0.001 0.000 0.267 400 T C 1.046 175.360 174.700 -0.643 0.000 1.039 400 T CA 1.099 62.870 62.100 -0.549 0.000 1.142 400 T CB -0.174 68.189 68.868 -0.842 0.000 0.866 400 T HN 0.051 nan 8.240 nan 0.000 0.444 401 F N 0.256 120.200 119.950 -0.010 0.000 2.641 401 F HA 0.393 4.919 4.527 -0.001 0.000 0.302 401 F C 1.703 177.325 175.800 -0.296 0.000 1.098 401 F CA -1.170 56.834 58.000 0.007 0.000 1.318 401 F CB -0.606 38.496 39.000 0.169 0.000 1.035 401 F HN -0.085 nan 8.300 nan 0.000 0.551 402 V N 0.377 119.914 119.914 -0.628 0.000 2.688 402 V HA -0.271 3.848 4.120 -0.001 0.000 0.256 402 V C 2.008 177.711 176.094 -0.653 0.000 1.084 402 V CA 2.456 63.971 62.300 -1.308 0.000 1.103 402 V CB -0.534 30.514 31.823 -1.292 0.000 0.688 402 V HN 0.485 nan 8.190 nan 0.000 0.480 403 S N -0.571 114.962 115.700 -0.278 0.000 2.547 403 S HA 0.021 4.490 4.470 -0.001 0.000 0.235 403 S C 1.383 175.994 174.600 0.017 0.000 0.980 403 S CA 1.001 59.139 58.200 -0.102 0.000 0.941 403 S CB -0.253 62.946 63.200 -0.001 0.000 0.763 403 S HN 0.587 nan 8.310 nan 0.000 0.532 404 L N 0.462 121.689 121.223 0.007 0.000 2.728 404 L HA 0.427 4.766 4.340 -0.001 0.000 0.238 404 L C 2.243 179.106 176.870 -0.011 0.000 1.143 404 L CA 0.204 55.058 54.840 0.024 0.000 0.937 404 L CB -0.205 41.871 42.059 0.028 0.000 1.225 404 L HN 0.305 nan 8.230 nan 0.000 0.507 405 A N -0.549 122.189 122.820 -0.135 0.000 2.084 405 A HA -0.196 4.123 4.320 -0.001 0.000 0.221 405 A C 1.504 178.936 177.584 -0.254 0.000 1.161 405 A CA 1.429 53.384 52.037 -0.137 0.000 0.653 405 A CB -0.505 18.304 19.000 -0.319 0.000 0.802 405 A HN 0.460 nan 8.150 nan 0.000 0.457 406 H N -0.592 118.506 119.070 0.048 0.000 2.469 406 H HA 0.327 4.883 4.556 -0.001 0.000 0.286 406 H C -0.613 174.720 175.328 0.008 0.000 1.106 406 H CA -0.076 55.992 56.048 0.032 0.000 1.055 406 H CB 0.187 29.962 29.762 0.022 0.000 1.618 406 H HN 0.305 nan 8.280 nan 0.000 0.559 407 S N 2.948 118.689 115.700 0.069 0.000 2.454 407 S HA 0.231 4.701 4.470 -0.001 0.000 0.306 407 S C -2.301 172.287 174.600 -0.020 0.000 1.100 407 S CA -1.269 56.934 58.200 0.006 0.000 1.087 407 S CB 2.363 65.536 63.200 -0.044 0.000 1.019 407 S HN 0.136 nan 8.310 nan 0.000 0.480 408 P HA 0.114 nan 4.420 nan 0.000 0.231 408 P C -0.590 176.634 177.300 -0.128 0.000 1.756 408 P CA -0.030 63.029 63.100 -0.067 0.000 0.990 408 P CB -0.207 31.450 31.700 -0.072 0.000 1.973 409 L N 1.648 122.794 121.223 -0.128 0.000 2.380 409 L HA 0.066 4.405 4.340 -0.001 0.000 0.273 409 L C 1.306 178.064 176.870 -0.187 0.000 1.138 409 L CA -0.341 54.386 54.840 -0.189 0.000 0.832 409 L CB 0.963 42.923 42.059 -0.165 0.000 1.124 409 L HN 0.093 nan 8.230 nan 0.000 0.454 410 L N 2.026 123.092 121.223 -0.262 0.000 2.685 410 L HA 0.230 4.570 4.340 -0.001 0.000 0.235 410 L C 0.529 177.313 176.870 -0.144 0.000 1.070 410 L CA 0.786 55.501 54.840 -0.208 0.000 0.888 410 L CB 0.476 42.369 42.059 -0.276 0.000 1.203 410 L HN 0.485 nan 8.230 nan 0.000 0.499 411 T N 0.769 115.230 114.554 -0.155 0.000 2.848 411 T HA 0.625 4.974 4.350 -0.001 0.000 0.285 411 T C -1.425 173.221 174.700 -0.090 0.000 0.995 411 T CA -0.225 61.844 62.100 -0.051 0.000 0.970 411 T CB 2.328 71.263 68.868 0.112 0.000 0.976 411 T HN -0.187 nan 8.240 nan 0.000 0.441 412 L N 4.235 125.403 121.223 -0.091 0.000 2.446 412 L HA 0.547 4.886 4.340 -0.001 0.000 0.268 412 L C -0.892 175.943 176.870 -0.057 0.000 0.975 412 L CA -0.569 54.201 54.840 -0.117 0.000 0.848 412 L CB 1.416 43.363 42.059 -0.186 0.000 1.225 412 L HN 0.489 nan 8.230 nan 0.000 0.410 413 N N 5.205 123.888 118.700 -0.030 0.000 2.438 413 N HA 0.414 5.153 4.740 -0.001 0.000 0.282 413 N C -0.353 175.198 175.510 0.067 0.000 1.037 413 N CA -0.133 52.925 53.050 0.013 0.000 0.942 413 N CB 1.378 39.866 38.487 0.002 0.000 1.136 413 N HN 0.806 nan 8.380 nan 0.000 0.481 414 L N 1.910 123.202 121.223 0.115 0.000 3.429 414 L HA 0.107 4.446 4.340 -0.001 0.000 0.311 414 L C 0.595 177.567 176.870 0.169 0.000 1.274 414 L CA -0.278 54.674 54.840 0.187 0.000 1.037 414 L CB 0.460 42.676 42.059 0.262 0.000 1.433 414 L HN 0.531 nan 8.230 nan 0.000 0.614 415 T N -1.639 112.992 114.554 0.129 0.000 2.937 415 T HA 0.092 4.441 4.350 -0.001 0.000 0.316 415 T C 0.625 175.367 174.700 0.070 0.000 1.079 415 T CA -0.079 62.091 62.100 0.118 0.000 1.131 415 T CB 0.484 69.411 68.868 0.099 0.000 1.000 415 T HN 0.333 nan 8.240 nan 0.000 0.549 416 K N 1.455 121.876 120.400 0.036 0.000 3.162 416 K HA -0.150 4.169 4.320 -0.001 0.000 0.268 416 K C 0.024 176.560 176.600 -0.107 0.000 1.062 416 K CA 0.605 56.853 56.287 -0.064 0.000 0.769 416 K CB -1.514 30.956 32.500 -0.050 0.000 1.274 416 K HN 0.637 nan 8.250 nan 0.000 0.478 417 N N -0.035 118.640 118.700 -0.042 0.000 2.171 417 N HA 0.060 4.799 4.740 -0.001 0.000 0.212 417 N C -0.519 175.030 175.510 0.064 0.000 1.184 417 N CA 0.109 53.187 53.050 0.045 0.000 0.888 417 N CB 0.254 38.874 38.487 0.222 0.000 1.038 417 N HN 0.454 nan 8.380 nan 0.000 0.517 418 H N -0.291 118.845 119.070 0.109 0.000 2.903 418 H HA -0.111 4.444 4.556 -0.001 0.000 0.285 418 H C -0.284 175.086 175.328 0.070 0.000 1.231 418 H CA 0.230 56.326 56.048 0.081 0.000 1.135 418 H CB -1.804 27.998 29.762 0.067 0.000 1.328 418 H HN 0.242 nan 8.280 nan 0.000 0.388 419 I N 0.849 121.514 120.570 0.158 0.000 2.529 419 I HA 0.019 4.188 4.170 -0.001 0.000 0.284 419 I C 1.428 177.596 176.117 0.086 0.000 1.082 419 I CA 0.973 62.344 61.300 0.118 0.000 1.406 419 I CB 1.261 39.341 38.000 0.133 0.000 1.405 419 I HN 0.385 nan 8.210 nan 0.000 0.548 420 S N 4.103 119.830 115.700 0.045 0.000 2.554 420 S HA 0.210 4.679 4.470 -0.001 0.000 0.227 420 S C 0.402 174.981 174.600 -0.034 0.000 1.050 420 S CA -0.297 57.906 58.200 0.006 0.000 0.927 420 S CB 0.516 63.716 63.200 -0.001 0.000 0.859 420 S HN 0.654 nan 8.310 nan 0.000 0.494 421 K N 0.767 121.149 120.400 -0.030 0.000 2.468 421 K HA 0.609 4.928 4.320 -0.001 0.000 0.252 421 K C -1.935 174.632 176.600 -0.054 0.000 0.932 421 K CA -0.675 55.576 56.287 -0.059 0.000 0.794 421 K CB 1.834 34.293 32.500 -0.069 0.000 1.241 421 K HN 0.233 nan 8.250 nan 0.000 0.428 422 I N 2.847 123.372 120.570 -0.075 0.000 2.404 422 I HA 0.405 4.574 4.170 -0.001 0.000 0.293 422 I C -0.048 175.977 176.117 -0.152 0.000 0.992 422 I CA -0.832 60.412 61.300 -0.093 0.000 1.149 422 I CB 1.911 39.880 38.000 -0.053 0.000 1.315 422 I HN 0.612 nan 8.210 nan 0.000 0.446 423 A N 4.458 127.180 122.820 -0.163 0.000 2.295 423 A HA 0.478 4.797 4.320 -0.001 0.000 0.318 423 A C -0.093 177.383 177.584 -0.180 0.000 1.134 423 A CA -0.658 51.284 52.037 -0.159 0.000 0.827 423 A CB 0.267 19.189 19.000 -0.130 0.000 1.136 423 A HN 0.742 nan 8.150 nan 0.000 0.493 424 N N 0.686 119.289 118.700 -0.161 0.000 1.939 424 N HA 0.142 4.881 4.740 -0.001 0.000 0.301 424 N C 1.151 176.574 175.510 -0.144 0.000 1.353 424 N CA 2.128 55.090 53.050 -0.148 0.000 0.851 424 N CB -0.064 38.353 38.487 -0.115 0.000 1.153 424 N HN 1.465 nan 8.380 nan 0.000 0.496 425 G N 1.101 109.814 108.800 -0.146 0.000 2.157 425 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.248 425 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.248 425 G C 1.231 176.014 174.900 -0.194 0.000 0.979 425 G CA 0.516 45.521 45.100 -0.159 0.000 0.650 425 G HN 0.557 nan 8.290 nan 0.000 0.529 426 T N 0.239 114.655 114.554 -0.230 0.000 2.680 426 T HA -0.170 4.180 4.350 -0.001 0.000 0.268 426 T C 1.639 176.113 174.700 -0.375 0.000 1.033 426 T CA 2.028 63.900 62.100 -0.380 0.000 1.152 426 T CB -0.282 68.161 68.868 -0.707 0.000 0.859 426 T HN 0.432 nan 8.240 nan 0.000 0.452 427 F N 0.915 120.930 119.950 0.108 0.000 2.664 427 F HA 0.248 4.774 4.527 -0.001 0.000 0.303 427 F C 2.259 178.043 175.800 -0.027 0.000 1.092 427 F CA -0.322 57.757 58.000 0.131 0.000 1.305 427 F CB -0.478 38.628 39.000 0.177 0.000 1.054 427 F HN 0.096 nan 8.300 nan 0.000 0.565 428 S N -1.061 114.549 115.700 -0.151 0.000 2.440 428 S HA -0.259 4.210 4.470 -0.001 0.000 0.240 428 S C 1.554 175.949 174.600 -0.343 0.000 1.014 428 S CA 1.092 59.108 58.200 -0.307 0.000 0.980 428 S CB -0.966 61.917 63.200 -0.529 0.000 0.775 428 S HN 0.596 nan 8.310 nan 0.000 0.499 429 W N 0.921 122.277 121.300 0.094 0.000 2.418 429 W HA 0.284 4.943 4.660 -0.001 0.000 0.292 429 W C 0.576 177.127 176.519 0.053 0.000 1.213 429 W CA -0.474 56.905 57.345 0.056 0.000 1.283 429 W CB -0.321 29.176 29.460 0.061 0.000 1.119 429 W HN 0.190 nan 8.180 nan 0.000 0.542 430 L N 1.940 123.313 121.223 0.250 0.000 2.796 430 L HA 0.300 4.639 4.340 -0.001 0.000 0.235 430 L C 1.810 178.729 176.870 0.082 0.000 1.344 430 L CA -0.124 54.803 54.840 0.146 0.000 1.245 430 L CB -1.254 40.878 42.059 0.121 0.000 1.556 430 L HN 0.148 nan 8.230 nan 0.000 0.423 431 G N -0.066 108.777 108.800 0.073 0.000 2.537 431 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.220 431 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.220 431 G C 1.101 176.014 174.900 0.021 0.000 1.111 431 G CA 0.375 45.500 45.100 0.042 0.000 0.748 431 G HN 0.536 nan 8.290 nan 0.000 0.564 432 Q N -0.826 118.979 119.800 0.007 0.000 2.141 432 Q HA 0.317 4.656 4.340 -0.001 0.000 0.248 432 Q C -0.492 175.483 176.000 -0.042 0.000 0.834 432 Q CA -0.599 55.193 55.803 -0.018 0.000 1.096 432 Q CB 0.631 29.352 28.738 -0.028 0.000 1.189 432 Q HN 0.281 nan 8.270 nan 0.000 0.471 433 L N 0.602 121.804 121.223 -0.036 0.000 2.417 433 L HA 0.134 4.474 4.340 -0.001 0.000 0.268 433 L C 1.044 177.886 176.870 -0.046 0.000 1.158 433 L CA 0.761 55.563 54.840 -0.063 0.000 0.819 433 L CB 0.542 42.554 42.059 -0.077 0.000 1.112 433 L HN 0.089 nan 8.230 nan 0.000 0.458 434 R N 2.875 123.350 120.500 -0.041 0.000 2.383 434 R HA 0.321 4.661 4.340 -0.001 0.000 0.205 434 R C -0.685 175.670 176.300 0.090 0.000 0.875 434 R CA -0.154 55.961 56.100 0.024 0.000 1.039 434 R CB 0.505 30.789 30.300 -0.026 0.000 1.267 434 R HN 0.340 nan 8.270 nan 0.000 0.635 435 I N 1.674 122.264 120.570 0.034 0.000 2.433 435 I HA 0.288 4.457 4.170 -0.001 0.000 0.292 435 I C -1.021 175.066 176.117 -0.051 0.000 1.001 435 I CA -0.953 60.370 61.300 0.038 0.000 1.119 435 I CB 1.863 39.902 38.000 0.066 0.000 1.289 435 I HN -0.132 nan 8.210 nan 0.000 0.438 436 L N 6.484 127.656 121.223 -0.084 0.000 2.381 436 L HA 0.627 4.966 4.340 -0.001 0.000 0.274 436 L C -1.321 175.524 176.870 -0.041 0.000 0.988 436 L CA -0.177 54.583 54.840 -0.133 0.000 0.824 436 L CB 1.578 43.477 42.059 -0.268 0.000 1.263 436 L HN 0.486 nan 8.230 nan 0.000 0.410 437 D N 4.877 125.283 120.400 0.011 0.000 2.440 437 D HA 0.349 4.989 4.640 -0.001 0.000 0.252 437 D C -0.420 175.993 176.300 0.188 0.000 1.180 437 D CA -0.066 53.999 54.000 0.109 0.000 0.894 437 D CB 0.846 41.657 40.800 0.018 0.000 1.111 437 D HN 0.607 nan 8.370 nan 0.000 0.544 438 L N 2.713 124.089 121.223 0.256 0.000 3.110 438 L HA 0.444 4.783 4.340 -0.001 0.000 0.266 438 L C 1.346 178.367 176.870 0.251 0.000 1.257 438 L CA -0.614 54.373 54.840 0.246 0.000 1.038 438 L CB 1.022 43.235 42.059 0.257 0.000 1.395 438 L HN 0.291 nan 8.230 nan 0.000 0.566 439 G N -0.596 108.437 108.800 0.388 0.000 2.621 439 G HA2 0.408 4.367 3.960 -0.001 0.000 0.271 439 G HA3 0.408 4.367 3.960 -0.001 0.000 0.271 439 G C 0.529 175.599 174.900 0.284 0.000 1.236 439 G CA -0.599 44.700 45.100 0.332 0.000 0.958 439 G HN 0.275 nan 8.290 nan 0.000 0.512 440 L N -0.217 121.175 121.223 0.282 0.000 3.660 440 L HA -0.196 4.143 4.340 -0.001 0.000 0.440 440 L C 0.376 177.315 176.870 0.114 0.000 1.262 440 L CA 0.128 55.078 54.840 0.182 0.000 0.837 440 L CB -1.650 40.485 42.059 0.127 0.000 1.689 440 L HN 0.532 nan 8.230 nan 0.000 0.890 441 N N -0.395 118.381 118.700 0.127 0.000 3.283 441 N HA 0.446 5.186 4.740 -0.001 0.000 0.338 441 N C -0.136 175.439 175.510 0.108 0.000 1.517 441 N CA -0.632 52.479 53.050 0.102 0.000 0.733 441 N CB 1.155 39.715 38.487 0.122 0.000 1.797 441 N HN 0.105 nan 8.380 nan 0.000 0.637 442 E N 0.607 120.870 120.200 0.106 0.000 3.167 442 E HA 0.383 4.733 4.350 -0.001 0.000 0.210 442 E C -0.578 176.043 176.600 0.035 0.000 1.004 442 E CA -0.172 56.281 56.400 0.088 0.000 1.256 442 E CB 0.053 29.823 29.700 0.118 0.000 1.193 442 E HN 0.378 nan 8.360 nan 0.000 0.448 443 I N 1.473 122.059 120.570 0.027 0.000 2.692 443 I HA 0.050 4.219 4.170 -0.001 0.000 0.284 443 I C 0.465 176.497 176.117 -0.141 0.000 1.159 443 I CA 0.642 61.926 61.300 -0.026 0.000 1.423 443 I CB 0.645 38.654 38.000 0.015 0.000 1.380 443 I HN 0.179 nan 8.210 nan 0.000 0.580 444 E N 7.542 127.591 120.200 -0.252 0.000 2.542 444 E HA 0.330 4.680 4.350 -0.001 0.000 0.298 444 E C -1.235 175.000 176.600 -0.609 0.000 0.980 444 E CA -0.476 55.569 56.400 -0.592 0.000 0.792 444 E CB 0.933 30.382 29.700 -0.417 0.000 1.463 444 E HN 0.716 nan 8.360 nan 0.000 0.389 445 Q N 2.694 122.098 119.800 -0.660 0.000 2.919 445 Q HA 0.348 4.687 4.340 -0.001 0.000 0.323 445 Q C -1.586 174.372 176.000 -0.070 0.000 0.829 445 Q CA -1.272 54.362 55.803 -0.282 0.000 0.803 445 Q CB 0.699 29.335 28.738 -0.171 0.000 1.423 445 Q HN 0.167 nan 8.270 nan 0.000 0.478 446 K N 1.354 121.754 120.400 -0.001 0.000 2.185 446 K HA 0.446 4.765 4.320 -0.001 0.000 0.269 446 K C -0.515 176.044 176.600 -0.069 0.000 0.987 446 K CA -0.559 55.740 56.287 0.019 0.000 0.865 446 K CB 1.314 33.830 32.500 0.027 0.000 1.090 446 K HN 0.635 nan 8.250 nan 0.000 0.450 447 L N 3.492 124.663 121.223 -0.087 0.000 2.334 447 L HA 0.033 4.372 4.340 -0.001 0.000 0.286 447 L C 1.578 178.345 176.870 -0.173 0.000 1.108 447 L CA -0.131 54.603 54.840 -0.177 0.000 0.875 447 L CB 0.867 42.807 42.059 -0.200 0.000 1.246 447 L HN 0.918 nan 8.230 nan 0.000 0.439 448 S N 1.504 117.104 115.700 -0.167 0.000 2.447 448 S HA -0.043 4.427 4.470 -0.001 0.000 0.233 448 S C 1.429 175.946 174.600 -0.138 0.000 1.006 448 S CA 0.856 58.977 58.200 -0.131 0.000 0.957 448 S CB 0.176 63.307 63.200 -0.115 0.000 0.773 448 S HN 0.947 nan 8.310 nan 0.000 0.507 449 G N 0.286 108.966 108.800 -0.200 0.000 2.238 449 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.217 449 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.217 449 G C 0.844 175.667 174.900 -0.128 0.000 0.996 449 G CA 0.279 45.304 45.100 -0.126 0.000 0.632 449 G HN 0.435 nan 8.290 nan 0.000 0.503 450 Q N 0.610 120.301 119.800 -0.181 0.000 2.435 450 Q HA 0.008 4.347 4.340 -0.001 0.000 0.207 450 Q C 2.300 178.171 176.000 -0.216 0.000 0.956 450 Q CA 1.339 57.052 55.803 -0.150 0.000 0.917 450 Q CB -0.031 28.632 28.738 -0.126 0.000 0.997 450 Q HN 0.827 nan 8.270 nan 0.000 0.497 451 E N -0.192 119.738 120.200 -0.450 0.000 2.110 451 E HA -0.204 4.146 4.350 -0.001 0.000 0.193 451 E C 1.462 177.983 176.600 -0.132 0.000 0.988 451 E CA 1.010 57.112 56.400 -0.496 0.000 0.804 451 E CB -0.827 28.272 29.700 -1.002 0.000 0.745 451 E HN 0.559 nan 8.360 nan 0.000 0.458 452 W N 1.713 123.095 121.300 0.136 0.000 2.905 452 W HA 0.159 4.819 4.660 -0.001 0.000 0.251 452 W C 1.088 177.662 176.519 0.092 0.000 1.305 452 W CA -0.923 56.505 57.345 0.138 0.000 1.465 452 W CB 0.009 29.530 29.460 0.101 0.000 1.122 452 W HN -0.148 nan 8.180 nan 0.000 0.659 453 R N 1.580 122.203 120.500 0.205 0.000 2.955 453 R HA 0.017 4.356 4.340 -0.001 0.000 0.334 453 R C 1.075 177.424 176.300 0.081 0.000 0.778 453 R CA 1.516 57.672 56.100 0.094 0.000 1.110 453 R CB -0.557 29.743 30.300 -0.000 0.000 0.889 453 R HN 0.366 nan 8.270 nan 0.000 0.396 454 G N 3.404 112.249 108.800 0.074 0.000 2.253 454 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.209 454 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.209 454 G C 0.155 175.097 174.900 0.071 0.000 0.997 454 G CA -0.121 45.002 45.100 0.038 0.000 0.640 454 G HN 0.532 nan 8.290 nan 0.000 0.496 455 L N 1.895 123.189 121.223 0.118 0.000 2.451 455 L HA 0.312 4.651 4.340 -0.001 0.000 0.272 455 L C 1.973 178.872 176.870 0.049 0.000 1.258 455 L CA -0.293 54.595 54.840 0.080 0.000 1.132 455 L CB 0.143 42.248 42.059 0.076 0.000 1.361 455 L HN 0.186 nan 8.230 nan 0.000 0.438 456 R N 0.791 121.313 120.500 0.035 0.000 2.235 456 R HA -0.041 4.298 4.340 -0.001 0.000 0.213 456 R C 0.635 176.947 176.300 0.018 0.000 1.059 456 R CA 0.902 57.018 56.100 0.027 0.000 0.997 456 R CB 0.060 30.372 30.300 0.021 0.000 0.884 456 R HN 0.576 nan 8.270 nan 0.000 0.462 457 N N -0.579 118.129 118.700 0.013 0.000 2.194 457 N HA 0.093 4.833 4.740 -0.001 0.000 0.231 457 N C -0.643 174.882 175.510 0.025 0.000 1.247 457 N CA -0.279 52.779 53.050 0.012 0.000 0.884 457 N CB 0.751 39.237 38.487 -0.002 0.000 1.146 457 N HN -0.007 nan 8.380 nan 0.000 0.516 458 I N 0.712 121.288 120.570 0.009 0.000 2.710 458 I HA -0.017 4.152 4.170 -0.001 0.000 0.286 458 I C 0.638 176.787 176.117 0.054 0.000 1.181 458 I CA 0.334 61.631 61.300 -0.005 0.000 1.430 458 I CB 0.359 38.306 38.000 -0.087 0.000 1.367 458 I HN 0.168 nan 8.210 nan 0.000 0.577 459 F N 6.199 126.084 119.950 -0.109 0.000 2.531 459 F HA 0.406 4.932 4.527 -0.001 0.000 0.273 459 F C 0.381 176.115 175.800 -0.110 0.000 0.960 459 F CA -0.003 57.941 58.000 -0.094 0.000 1.207 459 F CB 0.018 38.976 39.000 -0.070 0.000 1.012 459 F HN 0.500 nan 8.300 nan 0.000 0.738 460 E N 1.750 121.821 120.200 -0.214 0.000 2.248 460 E HA 0.461 4.810 4.350 -0.001 0.000 0.267 460 E C -1.522 174.958 176.600 -0.199 0.000 0.877 460 E CA -0.687 55.505 56.400 -0.346 0.000 0.759 460 E CB 1.997 31.511 29.700 -0.310 0.000 1.182 460 E HN 0.277 nan 8.360 nan 0.000 0.418 461 I N 4.219 124.650 120.570 -0.230 0.000 2.465 461 I HA 0.270 4.439 4.170 -0.001 0.000 0.291 461 I C -1.339 174.749 176.117 -0.048 0.000 1.014 461 I CA -1.014 60.166 61.300 -0.199 0.000 1.093 461 I CB 1.655 39.430 38.000 -0.376 0.000 1.267 461 I HN 0.591 nan 8.210 nan 0.000 0.431 462 Y N 7.012 127.243 120.300 -0.114 0.000 2.334 462 Y HA 0.413 4.962 4.550 -0.001 0.000 0.336 462 Y C -0.251 175.653 175.900 0.006 0.000 0.960 462 Y CA -0.488 57.581 58.100 -0.052 0.000 1.164 462 Y CB 1.042 39.491 38.460 -0.018 0.000 1.155 462 Y HN 0.386 nan 8.280 nan 0.000 0.478 463 L N 4.243 125.319 121.223 -0.246 0.000 3.016 463 L HA 0.260 4.600 4.340 -0.001 0.000 0.267 463 L C 0.558 177.240 176.870 -0.313 0.000 1.182 463 L CA 0.117 54.870 54.840 -0.144 0.000 0.997 463 L CB -0.315 41.758 42.059 0.022 0.000 1.354 463 L HN 0.531 nan 8.230 nan 0.000 0.569 464 S N -0.040 115.218 115.700 -0.736 0.000 2.566 464 S HA 0.149 4.619 4.470 -0.001 0.000 0.280 464 S C -0.059 174.315 174.600 -0.377 0.000 1.343 464 S CA 0.106 57.887 58.200 -0.700 0.000 1.036 464 S CB 0.047 62.660 63.200 -0.978 0.000 0.866 464 S HN 0.325 nan 8.310 nan 0.000 0.526 465 Y N -0.768 119.469 120.300 -0.105 0.000 3.305 465 Y HA -0.229 4.320 4.550 -0.001 0.000 0.209 465 Y C 0.088 175.988 175.900 0.002 0.000 1.354 465 Y CA 0.094 58.180 58.100 -0.023 0.000 1.392 465 Y CB -2.556 35.913 38.460 0.016 0.000 1.446 465 Y HN 0.584 nan 8.280 nan 0.000 0.553 466 N N -0.656 118.078 118.700 0.057 0.000 2.890 466 N HA 0.476 5.215 4.740 -0.001 0.000 0.317 466 N C 0.799 176.348 175.510 0.065 0.000 1.355 466 N CA -0.991 52.099 53.050 0.066 0.000 0.803 466 N CB 0.988 39.501 38.487 0.043 0.000 1.465 466 N HN -0.043 nan 8.380 nan 0.000 0.591 467 K N -0.160 120.273 120.400 0.055 0.000 1.995 467 K HA 0.032 4.352 4.320 -0.001 0.000 0.207 467 K C -0.354 176.342 176.600 0.159 0.000 1.041 467 K CA 1.502 57.839 56.287 0.084 0.000 0.942 467 K CB -0.065 32.465 32.500 0.051 0.000 0.731 467 K HN 0.670 nan 8.250 nan 0.000 0.439 468 Y N -0.948 119.371 120.300 0.032 0.000 2.465 468 Y HA 0.459 5.008 4.550 -0.001 0.000 0.323 468 Y C -2.112 173.805 175.900 0.029 0.000 1.191 468 Y CA -1.540 56.575 58.100 0.025 0.000 1.082 468 Y CB 0.467 38.937 38.460 0.018 0.000 1.334 468 Y HN -0.083 nan 8.280 nan 0.000 0.449 469 L N 5.282 126.729 121.223 0.372 0.000 2.349 469 L HA 0.510 4.849 4.340 -0.001 0.000 0.278 469 L C -0.488 176.555 176.870 0.288 0.000 0.996 469 L CA -0.933 54.058 54.840 0.251 0.000 0.825 469 L CB 2.152 44.304 42.059 0.156 0.000 1.243 469 L HN 0.693 nan 8.230 nan 0.000 0.412 470 Q N 4.217 124.181 119.800 0.274 0.000 2.360 470 Q HA 0.462 4.801 4.340 -0.001 0.000 0.254 470 Q C -0.711 175.326 176.000 0.062 0.000 0.975 470 Q CA -0.380 55.520 55.803 0.161 0.000 0.912 470 Q CB 1.379 30.228 28.738 0.184 0.000 1.212 470 Q HN 0.629 nan 8.270 nan 0.000 0.452 471 L N 1.404 122.644 121.223 0.028 0.000 2.543 471 L HA 0.477 4.816 4.340 -0.001 0.000 0.231 471 L C 0.528 177.366 176.870 -0.053 0.000 1.194 471 L CA -0.228 54.595 54.840 -0.028 0.000 0.823 471 L CB 1.073 43.109 42.059 -0.037 0.000 1.374 471 L HN 0.669 nan 8.230 nan 0.000 0.507 472 S N -2.341 113.308 115.700 -0.085 0.000 2.595 472 S HA 0.080 4.549 4.470 -0.001 0.000 0.270 472 S C 0.253 174.811 174.600 -0.070 0.000 1.145 472 S CA 0.039 58.197 58.200 -0.071 0.000 0.825 472 S CB 1.238 64.397 63.200 -0.069 0.000 1.107 472 S HN 0.698 nan 8.310 nan 0.000 0.461 473 T N 1.296 115.822 114.554 -0.046 0.000 2.737 473 T HA -0.067 4.282 4.350 -0.001 0.000 0.269 473 T C 1.340 176.029 174.700 -0.017 0.000 1.040 473 T CA 2.493 64.575 62.100 -0.029 0.000 1.142 473 T CB -0.701 68.156 68.868 -0.018 0.000 0.861 473 T HN 0.595 nan 8.240 nan 0.000 0.456 474 S N 0.365 116.048 115.700 -0.029 0.000 2.556 474 S HA 0.185 4.654 4.470 -0.001 0.000 0.216 474 S C 2.046 176.615 174.600 -0.051 0.000 0.970 474 S CA 0.263 58.453 58.200 -0.016 0.000 0.912 474 S CB -0.025 63.165 63.200 -0.017 0.000 0.790 474 S HN 0.531 nan 8.310 nan 0.000 0.504 475 S N 1.620 117.233 115.700 -0.145 0.000 2.381 475 S HA -0.153 4.316 4.470 -0.001 0.000 0.230 475 S C 0.673 174.978 174.600 -0.493 0.000 1.052 475 S CA 1.596 59.561 58.200 -0.391 0.000 1.068 475 S CB -0.287 62.542 63.200 -0.618 0.000 0.918 475 S HN 0.643 nan 8.310 nan 0.000 0.448 476 F N 0.090 120.148 119.950 0.180 0.000 2.791 476 F HA 0.572 5.098 4.527 -0.001 0.000 0.308 476 F C 1.511 177.383 175.800 0.120 0.000 1.138 476 F CA -0.624 57.481 58.000 0.175 0.000 1.294 476 F CB -0.483 38.588 39.000 0.118 0.000 0.975 476 F HN 0.099 nan 8.300 nan 0.000 0.512 477 A N 0.223 123.163 122.820 0.200 0.000 1.972 477 A HA -0.078 4.241 4.320 -0.001 0.000 0.219 477 A C 1.924 179.588 177.584 0.133 0.000 1.169 477 A CA 1.402 53.522 52.037 0.138 0.000 0.635 477 A CB -0.580 18.469 19.000 0.082 0.000 0.810 477 A HN 0.453 nan 8.150 nan 0.000 0.446 478 L N -0.140 121.182 121.223 0.165 0.000 2.591 478 L HA 0.086 4.425 4.340 -0.001 0.000 0.228 478 L C 0.582 177.540 176.870 0.146 0.000 1.133 478 L CA 0.129 55.057 54.840 0.146 0.000 0.880 478 L CB 0.205 42.358 42.059 0.155 0.000 1.033 478 L HN 0.326 nan 8.230 nan 0.000 0.450 479 V N -3.795 116.210 119.914 0.151 0.000 2.572 479 V HA 0.305 4.425 4.120 -0.001 0.000 0.274 479 V C -1.581 174.535 176.094 0.037 0.000 1.075 479 V CA -1.068 61.277 62.300 0.074 0.000 1.237 479 V CB 0.107 31.930 31.823 0.000 0.000 1.517 479 V HN -0.048 nan 8.190 nan 0.000 0.616 480 P HA -0.116 nan 4.420 nan 0.000 0.220 480 P C 1.701 179.002 177.300 0.003 0.000 1.148 480 P CA 1.948 65.065 63.100 0.028 0.000 0.803 480 P CB 0.201 31.923 31.700 0.036 0.000 0.782 481 S N -0.893 114.809 115.700 0.004 0.000 2.507 481 S HA -0.033 4.436 4.470 -0.001 0.000 0.235 481 S C 1.179 175.769 174.600 -0.018 0.000 0.988 481 S CA -0.165 58.038 58.200 0.005 0.000 0.944 481 S CB -1.117 62.095 63.200 0.020 0.000 0.762 481 S HN 0.033 nan 8.310 nan 0.000 0.526 482 L N 1.741 122.922 121.223 -0.070 0.000 2.573 482 L HA 0.007 4.346 4.340 -0.001 0.000 0.290 482 L C 1.071 177.832 176.870 -0.181 0.000 1.247 482 L CA 1.169 55.915 54.840 -0.157 0.000 0.876 482 L CB 0.503 42.430 42.059 -0.221 0.000 1.123 482 L HN 0.522 nan 8.230 nan 0.000 0.505 483 Q N 3.224 122.839 119.800 -0.308 0.000 2.384 483 Q HA 0.219 4.558 4.340 -0.001 0.000 0.264 483 Q C -0.277 175.469 176.000 -0.424 0.000 0.825 483 Q CA 0.015 55.620 55.803 -0.330 0.000 0.984 483 Q CB 1.063 29.628 28.738 -0.289 0.000 1.183 483 Q HN 0.594 nan 8.270 nan 0.000 0.537 484 R N 0.920 121.076 120.500 -0.573 0.000 2.534 484 R HA 0.528 4.867 4.340 -0.001 0.000 0.301 484 R C -1.551 174.529 176.300 -0.367 0.000 0.961 484 R CA -0.695 55.139 56.100 -0.443 0.000 0.871 484 R CB 2.105 32.118 30.300 -0.478 0.000 1.170 484 R HN -0.104 nan 8.270 nan 0.000 0.446 485 L N 4.229 125.266 121.223 -0.310 0.000 2.441 485 L HA 0.483 4.822 4.340 -0.001 0.000 0.270 485 L C -1.388 175.345 176.870 -0.228 0.000 0.973 485 L CA -0.665 53.990 54.840 -0.308 0.000 0.842 485 L CB 1.955 43.749 42.059 -0.441 0.000 1.239 485 L HN 0.585 nan 8.230 nan 0.000 0.406 486 M N 6.780 126.283 119.600 -0.162 0.000 2.205 486 M HA 0.462 4.941 4.480 -0.001 0.000 0.344 486 M C -0.829 175.332 176.300 -0.231 0.000 1.085 486 M CA -0.510 54.685 55.300 -0.175 0.000 1.001 486 M CB 1.748 34.277 32.600 -0.119 0.000 1.626 486 M HN 0.380 nan 8.290 nan 0.000 0.442 487 L N 2.822 123.928 121.223 -0.194 0.000 3.083 487 L HA 0.393 4.733 4.340 -0.001 0.000 0.286 487 L C 0.201 176.952 176.870 -0.199 0.000 1.307 487 L CA 0.024 54.773 54.840 -0.153 0.000 0.897 487 L CB -0.253 41.794 42.059 -0.019 0.000 1.306 487 L HN 0.809 nan 8.230 nan 0.000 0.569 488 R N 0.972 121.285 120.500 -0.313 0.000 2.594 488 R HA 0.207 4.547 4.340 -0.001 0.000 0.272 488 R C 0.802 176.850 176.300 -0.420 0.000 1.074 488 R CA -0.222 55.670 56.100 -0.347 0.000 1.105 488 R CB 0.524 30.577 30.300 -0.412 0.000 1.008 488 R HN 0.249 nan 8.270 nan 0.000 0.472 489 R N 2.466 122.794 120.500 -0.287 0.000 3.251 489 R HA -0.153 4.186 4.340 -0.001 0.000 0.249 489 R C 0.050 176.266 176.300 -0.140 0.000 0.949 489 R CA 0.897 56.876 56.100 -0.202 0.000 0.645 489 R CB -1.251 28.920 30.300 -0.214 0.000 1.065 489 R HN 0.569 nan 8.270 nan 0.000 0.452 490 V N -2.916 116.943 119.914 -0.091 0.000 3.612 490 V HA 0.525 4.645 4.120 -0.001 0.000 0.268 490 V C 0.726 176.850 176.094 0.051 0.000 1.365 490 V CA 0.703 62.993 62.300 -0.017 0.000 1.044 490 V CB 0.541 32.355 31.823 -0.015 0.000 0.820 490 V HN 0.897 nan 8.190 nan 0.000 0.444 491 A N 1.165 124.003 122.820 0.030 0.000 1.940 491 A HA -0.093 4.226 4.320 -0.001 0.000 0.245 491 A C -0.435 177.194 177.584 0.076 0.000 1.356 491 A CA 0.509 52.574 52.037 0.047 0.000 0.699 491 A CB -2.123 16.919 19.000 0.070 0.000 1.180 491 A HN 0.621 nan 8.150 nan 0.000 0.272 492 L N 2.136 123.392 121.223 0.055 0.000 2.276 492 L HA 0.456 4.796 4.340 -0.001 0.000 0.286 492 L C 0.655 177.552 176.870 0.044 0.000 1.061 492 L CA -0.445 54.442 54.840 0.080 0.000 0.807 492 L CB 1.300 43.417 42.059 0.097 0.000 1.177 492 L HN 0.643 nan 8.230 nan 0.000 0.429 493 K N 1.808 122.232 120.400 0.040 0.000 2.095 493 K HA 0.242 4.561 4.320 -0.001 0.000 0.252 493 K C 0.184 176.788 176.600 0.006 0.000 0.977 493 K CA -0.594 55.687 56.287 -0.010 0.000 0.900 493 K CB 0.652 33.110 32.500 -0.070 0.000 1.060 493 K HN 0.501 nan 8.250 nan 0.000 0.449 494 N N 0.624 119.319 118.700 -0.007 0.000 2.671 494 N HA -0.187 4.552 4.740 -0.001 0.000 0.261 494 N C -0.341 175.165 175.510 -0.007 0.000 1.053 494 N CA -0.112 52.934 53.050 -0.007 0.000 0.732 494 N CB -0.290 38.189 38.487 -0.014 0.000 0.887 494 N HN 0.243 nan 8.380 nan 0.000 0.546 495 V N -0.180 119.742 119.914 0.012 0.000 3.431 495 V HA -0.016 4.103 4.120 -0.001 0.000 0.253 495 V C 0.703 176.814 176.094 0.028 0.000 1.184 495 V CA 1.195 63.504 62.300 0.015 0.000 1.104 495 V CB 0.346 32.211 31.823 0.070 0.000 0.799 495 V HN 0.550 nan 8.190 nan 0.000 0.462 496 D N 2.785 123.207 120.400 0.037 0.000 2.563 496 D HA 0.253 4.892 4.640 -0.001 0.000 0.222 496 D C -0.156 176.156 176.300 0.020 0.000 1.145 496 D CA -0.065 53.961 54.000 0.044 0.000 1.001 496 D CB 0.239 41.072 40.800 0.054 0.000 1.049 496 D HN 0.585 nan 8.370 nan 0.000 0.515 497 I N -2.495 118.079 120.570 0.006 0.000 2.569 497 I HA 0.524 4.693 4.170 -0.001 0.000 0.290 497 I C -1.108 175.007 176.117 -0.003 0.000 1.088 497 I CA -0.853 60.444 61.300 -0.003 0.000 1.047 497 I CB 2.280 40.269 38.000 -0.019 0.000 1.237 497 I HN -0.157 nan 8.210 nan 0.000 0.421 498 S N 6.108 121.810 115.700 0.003 0.000 2.489 498 S HA 0.639 5.109 4.470 -0.001 0.000 0.291 498 S C -2.093 172.508 174.600 0.002 0.000 1.151 498 S CA -0.869 57.334 58.200 0.005 0.000 1.082 498 S CB 1.192 64.398 63.200 0.011 0.000 1.019 498 S HN 0.662 nan 8.310 nan 0.000 0.492 499 P HA 0.228 nan 4.420 nan 0.000 0.276 499 P C -0.128 177.171 177.300 -0.001 0.000 1.244 499 P CA -0.417 62.688 63.100 0.008 0.000 0.801 499 P CB 0.600 32.308 31.700 0.014 0.000 1.006 500 S N 1.954 117.656 115.700 0.003 0.000 2.558 500 S HA 0.021 4.491 4.470 -0.001 0.000 0.287 500 S C -1.027 173.537 174.600 -0.060 0.000 1.321 500 S CA -0.768 57.415 58.200 -0.029 0.000 1.048 500 S CB -0.191 63.019 63.200 0.016 0.000 0.844 500 S HN 0.360 nan 8.310 nan 0.000 0.512 501 P HA -0.045 nan 4.420 nan 0.000 0.219 501 P C 0.804 178.084 177.300 -0.034 0.000 1.150 501 P CA 1.184 64.184 63.100 -0.167 0.000 0.814 501 P CB -0.161 31.343 31.700 -0.325 0.000 0.787 502 F N 0.114 120.158 119.950 0.157 0.000 2.802 502 F HA 0.128 4.655 4.527 -0.001 0.000 0.300 502 F C 2.457 178.282 175.800 0.041 0.000 1.168 502 F CA -0.134 57.913 58.000 0.077 0.000 1.433 502 F CB -1.287 37.712 39.000 -0.002 0.000 1.115 502 F HN -0.165 nan 8.300 nan 0.000 0.582 503 R N 2.030 122.630 120.500 0.166 0.000 2.091 503 R HA -0.082 4.258 4.340 -0.001 0.000 0.238 503 R C -0.779 175.578 176.300 0.094 0.000 1.136 503 R CA 1.418 57.582 56.100 0.106 0.000 0.959 503 R CB -1.806 28.535 30.300 0.067 0.000 0.856 503 R HN 0.091 nan 8.270 nan 0.000 0.437 504 P HA -0.006 nan 4.420 nan 0.000 0.242 504 P C -0.430 176.912 177.300 0.070 0.000 1.197 504 P CA 0.704 63.857 63.100 0.088 0.000 0.765 504 P CB 0.039 31.802 31.700 0.105 0.000 0.936 505 L N 0.139 121.403 121.223 0.067 0.000 2.536 505 L HA 0.301 4.640 4.340 -0.001 0.000 0.242 505 L C 1.655 178.519 176.870 -0.010 0.000 1.280 505 L CA -0.415 54.431 54.840 0.009 0.000 1.221 505 L CB -0.202 41.831 42.059 -0.043 0.000 1.449 505 L HN -0.134 nan 8.230 nan 0.000 0.405 506 R N 0.040 120.542 120.500 0.003 0.000 2.127 506 R HA -0.094 4.245 4.340 -0.001 0.000 0.238 506 R C 1.066 177.356 176.300 -0.017 0.000 1.134 506 R CA 0.997 57.096 56.100 -0.001 0.000 0.975 506 R CB -0.052 30.253 30.300 0.009 0.000 0.865 506 R HN 0.477 nan 8.270 nan 0.000 0.447 507 N N 0.736 119.419 118.700 -0.028 0.000 2.295 507 N HA 0.039 4.778 4.740 -0.001 0.000 0.221 507 N C -0.512 174.957 175.510 -0.068 0.000 1.129 507 N CA -0.100 52.928 53.050 -0.036 0.000 0.836 507 N CB 0.301 38.778 38.487 -0.017 0.000 1.040 507 N HN 0.049 nan 8.380 nan 0.000 0.494 508 L N 1.196 122.364 121.223 -0.091 0.000 2.410 508 L HA 0.085 4.425 4.340 -0.001 0.000 0.273 508 L C 1.595 178.386 176.870 -0.131 0.000 1.152 508 L CA 0.678 55.431 54.840 -0.144 0.000 0.855 508 L CB 0.919 42.875 42.059 -0.172 0.000 1.129 508 L HN 0.098 nan 8.230 nan 0.000 0.463 509 T N 2.194 116.659 114.554 -0.148 0.000 2.959 509 T HA 0.387 4.736 4.350 -0.001 0.000 0.254 509 T C 0.423 175.051 174.700 -0.121 0.000 1.003 509 T CA -0.031 61.999 62.100 -0.116 0.000 0.950 509 T CB -0.050 68.771 68.868 -0.079 0.000 1.090 509 T HN 0.310 nan 8.240 nan 0.000 0.503 510 I N 1.814 122.286 120.570 -0.162 0.000 2.512 510 I HA 0.531 4.700 4.170 -0.001 0.000 0.287 510 I C -1.725 174.274 176.117 -0.197 0.000 1.069 510 I CA -1.205 60.007 61.300 -0.146 0.000 1.056 510 I CB 2.553 40.480 38.000 -0.123 0.000 1.229 510 I HN 0.044 nan 8.210 nan 0.000 0.429 511 L N 6.747 127.859 121.223 -0.185 0.000 2.454 511 L HA 0.453 4.792 4.340 -0.001 0.000 0.258 511 L C -0.886 175.881 176.870 -0.171 0.000 1.025 511 L CA -0.032 54.654 54.840 -0.257 0.000 0.901 511 L CB 0.891 42.745 42.059 -0.341 0.000 1.210 511 L HN 0.449 nan 8.230 nan 0.000 0.457 512 D N 6.051 126.363 120.400 -0.148 0.000 2.467 512 D HA 0.290 4.930 4.640 -0.001 0.000 0.220 512 D C -1.071 175.157 176.300 -0.121 0.000 1.103 512 D CA -0.235 53.711 54.000 -0.091 0.000 0.886 512 D CB 0.668 41.433 40.800 -0.058 0.000 1.025 512 D HN 0.594 nan 8.370 nan 0.000 0.514 513 L N 1.563 122.721 121.223 -0.108 0.000 2.427 513 L HA 0.623 4.963 4.340 -0.001 0.000 0.264 513 L C -0.906 175.852 176.870 -0.186 0.000 0.989 513 L CA -0.675 54.086 54.840 -0.131 0.000 0.865 513 L CB 1.312 43.318 42.059 -0.088 0.000 1.209 513 L HN 0.167 nan 8.230 nan 0.000 0.430 514 S N 0.959 116.558 115.700 -0.167 0.000 2.667 514 S HA 0.606 5.076 4.470 -0.001 0.000 0.292 514 S C -0.023 174.503 174.600 -0.125 0.000 1.126 514 S CA -0.599 57.501 58.200 -0.166 0.000 0.881 514 S CB 1.590 64.754 63.200 -0.060 0.000 1.132 514 S HN 0.776 nan 8.310 nan 0.000 0.492 515 N N 0.873 119.537 118.700 -0.061 0.000 2.735 515 N HA -0.143 4.597 4.740 -0.001 0.000 0.248 515 N C -0.047 175.418 175.510 -0.074 0.000 1.083 515 N CA 1.038 54.065 53.050 -0.038 0.000 0.703 515 N CB -1.767 36.690 38.487 -0.050 0.000 1.005 515 N HN 0.658 nan 8.380 nan 0.000 0.550 516 N N 0.476 119.112 118.700 -0.106 0.000 2.348 516 N HA 0.042 4.781 4.740 -0.001 0.000 0.183 516 N C -0.722 174.757 175.510 -0.053 0.000 1.094 516 N CA -0.025 52.979 53.050 -0.076 0.000 0.885 516 N CB 0.087 38.522 38.487 -0.087 0.000 1.065 516 N HN 0.340 nan 8.380 nan 0.000 0.472 517 N N 2.443 121.102 118.700 -0.067 0.000 2.601 517 N HA -0.157 4.582 4.740 -0.001 0.000 0.298 517 N C -0.365 175.136 175.510 -0.014 0.000 1.227 517 N CA 0.689 53.718 53.050 -0.034 0.000 0.732 517 N CB -0.672 37.807 38.487 -0.013 0.000 0.964 517 N HN 0.355 nan 8.380 nan 0.000 0.549 518 I N -0.859 119.711 120.570 0.001 0.000 2.428 518 I HA 0.248 4.417 4.170 -0.001 0.000 0.289 518 I C 1.674 177.820 176.117 0.048 0.000 1.019 518 I CA -0.482 60.842 61.300 0.041 0.000 1.351 518 I CB 1.071 39.132 38.000 0.102 0.000 1.412 518 I HN 0.366 nan 8.210 nan 0.000 0.513 519 A N 6.099 128.940 122.820 0.035 0.000 1.873 519 A HA -0.027 4.292 4.320 -0.001 0.000 0.215 519 A C 0.768 178.377 177.584 0.043 0.000 1.186 519 A CA 1.132 53.186 52.037 0.028 0.000 0.616 519 A CB -0.229 18.778 19.000 0.011 0.000 0.823 519 A HN 0.874 nan 8.150 nan 0.000 0.442 520 N N -1.123 117.611 118.700 0.057 0.000 2.397 520 N HA 0.445 5.185 4.740 -0.001 0.000 0.291 520 N C -1.724 173.848 175.510 0.102 0.000 1.065 520 N CA -0.319 52.773 53.050 0.069 0.000 0.884 520 N CB 2.158 40.674 38.487 0.049 0.000 1.551 520 N HN 0.247 nan 8.380 nan 0.000 0.487 521 I N 1.657 122.305 120.570 0.129 0.000 2.464 521 I HA 0.218 4.387 4.170 -0.001 0.000 0.277 521 I C -0.096 176.126 176.117 0.175 0.000 1.040 521 I CA -0.508 60.906 61.300 0.189 0.000 1.153 521 I CB 0.366 38.520 38.000 0.256 0.000 1.274 521 I HN 0.406 nan 8.210 nan 0.000 0.469 522 N N 4.754 123.540 118.700 0.142 0.000 2.479 522 N HA -0.045 4.695 4.740 -0.001 0.000 0.257 522 N C 0.440 176.051 175.510 0.170 0.000 1.232 522 N CA 0.274 53.399 53.050 0.124 0.000 0.920 522 N CB 1.160 39.695 38.487 0.080 0.000 1.105 522 N HN 0.740 nan 8.380 nan 0.000 0.444 523 E N 1.062 121.356 120.200 0.157 0.000 2.502 523 E HA -0.009 4.341 4.350 -0.001 0.000 0.194 523 E C 0.402 177.075 176.600 0.122 0.000 1.062 523 E CA 0.284 56.805 56.400 0.202 0.000 0.867 523 E CB 0.101 29.898 29.700 0.161 0.000 0.888 523 E HN 0.524 nan 8.360 nan 0.000 0.510 524 D N 0.162 120.614 120.400 0.086 0.000 2.269 524 D HA -0.027 4.612 4.640 -0.001 0.000 0.208 524 D C 0.255 176.581 176.300 0.043 0.000 0.963 524 D CA 0.030 54.060 54.000 0.050 0.000 0.864 524 D CB 0.008 40.833 40.800 0.041 0.000 0.936 524 D HN 0.229 nan 8.370 nan 0.000 0.505 525 L N 0.767 122.029 121.223 0.066 0.000 2.573 525 L HA -0.104 4.235 4.340 -0.001 0.000 0.290 525 L C 0.920 177.781 176.870 -0.015 0.000 1.247 525 L CA 0.609 55.492 54.840 0.072 0.000 0.876 525 L CB 0.228 42.359 42.059 0.120 0.000 1.123 525 L HN 0.263 nan 8.230 nan 0.000 0.505 526 L N 0.922 122.178 121.223 0.055 0.000 5.081 526 L HA -0.242 4.098 4.340 -0.001 0.000 0.423 526 L C 0.618 177.462 176.870 -0.043 0.000 1.019 526 L CA 0.798 55.611 54.840 -0.045 0.000 1.223 526 L CB -1.455 40.463 42.059 -0.236 0.000 1.940 526 L HN 0.796 nan 8.230 nan 0.000 0.675 527 E N 0.913 121.107 120.200 -0.009 0.000 2.324 527 E HA 0.338 4.688 4.350 -0.001 0.000 0.271 527 E C 1.377 177.982 176.600 0.008 0.000 1.028 527 E CA 0.907 57.304 56.400 -0.005 0.000 0.890 527 E CB 0.583 30.286 29.700 0.006 0.000 1.004 527 E HN 0.316 nan 8.360 nan 0.000 0.431 528 G N 4.099 112.899 108.800 0.001 0.000 2.195 528 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.246 528 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.246 528 G C 0.389 175.292 174.900 0.005 0.000 0.984 528 G CA 0.132 45.237 45.100 0.009 0.000 0.633 528 G HN 0.552 nan 8.290 nan 0.000 0.525 529 L N 1.572 122.789 121.223 -0.009 0.000 2.416 529 L HA 0.315 4.655 4.340 -0.001 0.000 0.243 529 L C 1.779 178.643 176.870 -0.010 0.000 1.373 529 L CA 0.455 55.281 54.840 -0.023 0.000 1.227 529 L CB 0.366 42.391 42.059 -0.057 0.000 1.428 529 L HN 0.384 nan 8.230 nan 0.000 0.425 530 E N 1.423 121.633 120.200 0.017 0.000 2.204 530 E HA -0.184 4.166 4.350 -0.001 0.000 0.194 530 E C 1.302 177.979 176.600 0.128 0.000 0.989 530 E CA 1.284 57.721 56.400 0.061 0.000 0.824 530 E CB 0.171 29.913 29.700 0.069 0.000 0.756 530 E HN 0.471 nan 8.360 nan 0.000 0.477 531 N N 0.608 119.339 118.700 0.051 0.000 2.383 531 N HA -0.006 4.734 4.740 -0.001 0.000 0.192 531 N C -0.103 175.384 175.510 -0.037 0.000 1.141 531 N CA 0.020 53.069 53.050 -0.003 0.000 0.851 531 N CB 0.146 38.596 38.487 -0.061 0.000 0.976 531 N HN 0.255 nan 8.380 nan 0.000 0.465 532 L N 1.530 122.733 121.223 -0.032 0.000 2.455 532 L HA 0.008 4.347 4.340 -0.001 0.000 0.272 532 L C 0.922 177.737 176.870 -0.091 0.000 1.174 532 L CA 0.951 55.747 54.840 -0.074 0.000 0.869 532 L CB 0.714 42.724 42.059 -0.082 0.000 1.130 532 L HN 0.140 nan 8.230 nan 0.000 0.474 533 E N 4.022 124.155 120.200 -0.112 0.000 2.399 533 E HA 0.266 4.616 4.350 -0.001 0.000 0.206 533 E C -0.307 176.252 176.600 -0.068 0.000 0.812 533 E CA 0.036 56.330 56.400 -0.178 0.000 1.138 533 E CB 0.872 30.481 29.700 -0.151 0.000 1.140 533 E HN 0.518 nan 8.360 nan 0.000 0.536 534 I N 2.332 122.881 120.570 -0.034 0.000 2.406 534 I HA 0.300 4.470 4.170 -0.001 0.000 0.290 534 I C -1.171 174.934 176.117 -0.020 0.000 0.999 534 I CA -0.946 60.354 61.300 -0.000 0.000 1.124 534 I CB 1.826 39.831 38.000 0.009 0.000 1.289 534 I HN -0.025 nan 8.210 nan 0.000 0.441 535 L N 6.468 127.698 121.223 0.012 0.000 2.343 535 L HA 0.560 4.900 4.340 -0.001 0.000 0.278 535 L C -1.366 175.550 176.870 0.077 0.000 0.996 535 L CA -0.053 54.800 54.840 0.021 0.000 0.831 535 L CB 1.333 43.403 42.059 0.019 0.000 1.232 535 L HN 0.374 nan 8.230 nan 0.000 0.413 536 D N 5.218 125.659 120.400 0.069 0.000 2.349 536 D HA 0.307 4.947 4.640 -0.001 0.000 0.232 536 D C -1.098 175.288 176.300 0.143 0.000 1.071 536 D CA 0.503 54.556 54.000 0.088 0.000 0.832 536 D CB 1.279 42.097 40.800 0.031 0.000 1.086 536 D HN 0.436 nan 8.370 nan 0.000 0.504 537 F N 2.537 122.504 119.950 0.027 0.000 2.593 537 F HA 0.188 4.714 4.527 -0.001 0.000 0.336 537 F C -0.383 175.412 175.800 -0.008 0.000 1.491 537 F CA -0.523 57.500 58.000 0.038 0.000 1.114 537 F CB 0.495 39.560 39.000 0.108 0.000 1.468 537 F HN 0.077 nan 8.300 nan 0.000 0.579 538 Q N 0.689 120.476 119.800 -0.023 0.000 2.205 538 Q HA 0.382 4.722 4.340 -0.001 0.000 0.249 538 Q C 0.018 175.958 176.000 -0.100 0.000 0.948 538 Q CA -0.668 55.081 55.803 -0.090 0.000 0.895 538 Q CB 0.541 29.212 28.738 -0.112 0.000 1.249 538 Q HN 0.274 nan 8.270 nan 0.000 0.458 539 H N 0.812 119.856 119.070 -0.043 0.000 2.626 539 H HA -0.180 4.375 4.556 -0.001 0.000 0.317 539 H C -0.711 174.552 175.328 -0.109 0.000 1.140 539 H CA 0.512 56.525 56.048 -0.058 0.000 1.134 539 H CB -1.192 28.540 29.762 -0.049 0.000 1.486 539 H HN 0.627 nan 8.280 nan 0.000 0.417 540 N N 0.663 119.324 118.700 -0.065 0.000 2.416 540 N HA -0.028 4.711 4.740 -0.001 0.000 0.267 540 N C 0.246 175.761 175.510 0.008 0.000 1.294 540 N CA -0.223 52.761 53.050 -0.110 0.000 0.891 540 N CB 0.310 38.522 38.487 -0.459 0.000 1.238 540 N HN 0.343 nan 8.380 nan 0.000 0.508 541 N N 1.493 120.194 118.700 0.003 0.000 2.722 541 N HA -0.211 4.528 4.740 -0.001 0.000 0.274 541 N C 0.753 176.248 175.510 -0.026 0.000 0.987 541 N CA 0.024 53.068 53.050 -0.010 0.000 0.817 541 N CB -0.671 37.816 38.487 0.001 0.000 0.921 541 N HN 0.303 nan 8.380 nan 0.000 0.565 542 L N 0.636 121.812 121.223 -0.078 0.000 2.478 542 L HA 0.296 4.635 4.340 -0.001 0.000 0.223 542 L C 2.095 178.691 176.870 -0.456 0.000 1.140 542 L CA 1.753 56.422 54.840 -0.285 0.000 0.842 542 L CB -0.654 41.117 42.059 -0.481 0.000 0.953 542 L HN 0.448 nan 8.230 nan 0.000 0.452 543 A N -0.100 122.562 122.820 -0.262 0.000 1.877 543 A HA -0.197 4.123 4.320 -0.001 0.000 0.216 543 A C 2.417 180.002 177.584 0.001 0.000 1.186 543 A CA 1.586 53.542 52.037 -0.134 0.000 0.620 543 A CB -0.492 18.476 19.000 -0.054 0.000 0.822 543 A HN 0.458 nan 8.150 nan 0.000 0.443 544 R N -1.160 119.336 120.500 -0.006 0.000 2.132 544 R HA -0.113 4.226 4.340 -0.001 0.000 0.233 544 R C 0.694 177.034 176.300 0.067 0.000 1.125 544 R CA 1.182 57.301 56.100 0.031 0.000 0.914 544 R CB -0.609 29.702 30.300 0.018 0.000 0.845 544 R HN 0.395 nan 8.270 nan 0.000 0.431 545 L N 1.500 122.755 121.223 0.054 0.000 2.505 545 L HA -0.057 4.283 4.340 -0.001 0.000 0.275 545 L C -1.231 175.800 176.870 0.269 0.000 1.264 545 L CA 1.157 56.061 54.840 0.106 0.000 1.148 545 L CB -0.759 41.348 42.059 0.080 0.000 1.377 545 L HN 0.249 nan 8.230 nan 0.000 0.442 556 N N 0.920 119.488 118.700 -0.219 0.000 2.614 556 N HA -0.194 4.545 4.740 -0.001 0.000 0.276 556 N C -0.011 175.555 175.510 0.093 0.000 1.119 556 N CA 0.916 53.911 53.050 -0.091 0.000 0.742 556 N CB -0.898 37.523 38.487 -0.109 0.000 0.900 556 N HN 0.566 nan 8.380 nan 0.000 0.549 557 F N 0.947 120.890 119.950 -0.012 0.000 1.993 557 F HA -0.084 4.442 4.527 -0.001 0.000 0.297 557 F C 1.551 177.344 175.800 -0.013 0.000 1.177 557 F CA 1.245 59.264 58.000 0.033 0.000 1.182 557 F CB -0.305 38.749 39.000 0.090 0.000 0.958 557 F HN 0.382 nan 8.300 nan 0.000 0.496 558 L N 1.965 123.249 121.223 0.101 0.000 2.638 558 L HA -0.008 4.331 4.340 -0.001 0.000 0.273 558 L C 0.890 177.747 176.870 -0.021 0.000 1.147 558 L CA 0.045 54.875 54.840 -0.017 0.000 0.941 558 L CB -0.110 41.967 42.059 0.030 0.000 1.251 558 L HN 0.254 nan 8.230 nan 0.000 0.479 559 K N 2.969 123.346 120.400 -0.038 0.000 2.218 559 K HA 0.189 4.508 4.320 -0.001 0.000 0.222 559 K C 1.402 177.991 176.600 -0.018 0.000 1.030 559 K CA 0.549 56.821 56.287 -0.025 0.000 0.946 559 K CB -0.031 32.454 32.500 -0.025 0.000 1.000 559 K HN 0.647 nan 8.250 nan 0.000 0.461 560 G N 1.871 110.661 108.800 -0.018 0.000 3.959 560 G HA2 0.257 4.216 3.960 -0.001 0.000 0.298 560 G HA3 0.257 4.216 3.960 -0.001 0.000 0.298 560 G C -0.023 174.869 174.900 -0.014 0.000 1.211 560 G CA -0.308 44.787 45.100 -0.009 0.000 1.001 560 G HN 0.026 nan 8.290 nan 0.000 0.561 561 L N 2.167 123.380 121.223 -0.017 0.000 2.480 561 L HA 0.152 4.491 4.340 -0.001 0.000 0.243 561 L C 1.721 178.576 176.870 -0.025 0.000 1.315 561 L CA -0.365 54.463 54.840 -0.020 0.000 1.231 561 L CB 0.349 42.391 42.059 -0.029 0.000 1.444 561 L HN 0.305 nan 8.230 nan 0.000 0.409 562 S N -1.963 113.697 115.700 -0.067 0.000 2.527 562 S HA -0.055 4.415 4.470 -0.001 0.000 0.222 562 S C 1.367 175.834 174.600 -0.221 0.000 0.985 562 S CA 0.192 58.330 58.200 -0.103 0.000 0.921 562 S CB -0.220 62.908 63.200 -0.120 0.000 0.772 562 S HN 0.544 nan 8.310 nan 0.000 0.529 563 H N 0.876 119.929 119.070 -0.028 0.000 2.533 563 H HA 0.354 4.909 4.556 -0.001 0.000 0.271 563 H C 0.372 175.483 175.328 -0.361 0.000 1.000 563 H CA -0.252 55.713 56.048 -0.138 0.000 1.149 563 H CB -0.088 29.594 29.762 -0.134 0.000 1.375 563 H HN 0.362 nan 8.280 nan 0.000 0.582 564 L N 1.408 122.564 121.223 -0.111 0.000 2.584 564 L HA -0.090 4.250 4.340 -0.001 0.000 0.272 564 L C 0.976 177.823 176.870 -0.039 0.000 1.195 564 L CA 0.765 55.542 54.840 -0.105 0.000 0.920 564 L CB 0.408 42.473 42.059 0.010 0.000 1.173 564 L HN 0.386 nan 8.230 nan 0.000 0.489 565 H N 3.346 122.463 119.070 0.079 0.000 2.426 565 H HA 0.181 4.736 4.556 -0.001 0.000 0.286 565 H C -0.059 175.302 175.328 0.055 0.000 0.990 565 H CA -0.440 55.649 56.048 0.069 0.000 1.237 565 H CB 1.038 30.838 29.762 0.064 0.000 1.466 565 H HN 0.507 nan 8.280 nan 0.000 0.525 566 I N 1.635 122.314 120.570 0.181 0.000 2.362 566 I HA 0.328 4.497 4.170 -0.001 0.000 0.289 566 I C -1.586 174.586 176.117 0.092 0.000 0.994 566 I CA -0.885 60.484 61.300 0.115 0.000 1.158 566 I CB 1.451 39.510 38.000 0.098 0.000 1.315 566 I HN 0.022 nan 8.210 nan 0.000 0.451 567 L N 7.752 129.032 121.223 0.095 0.000 2.406 567 L HA 0.613 4.953 4.340 -0.001 0.000 0.270 567 L C -1.687 175.252 176.870 0.114 0.000 0.982 567 L CA -0.151 54.758 54.840 0.115 0.000 0.843 567 L CB 1.223 43.376 42.059 0.156 0.000 1.225 567 L HN 0.724 nan 8.230 nan 0.000 0.412 568 N N 5.339 124.107 118.700 0.113 0.000 2.511 568 N HA 0.412 5.151 4.740 -0.001 0.000 0.249 568 N C -1.087 174.496 175.510 0.121 0.000 0.971 568 N CA -0.308 52.801 53.050 0.099 0.000 0.938 568 N CB 0.899 39.430 38.487 0.074 0.000 1.131 568 N HN 0.768 nan 8.380 nan 0.000 0.505 569 L N 2.165 123.454 121.223 0.110 0.000 3.100 569 L HA 0.351 4.690 4.340 -0.001 0.000 0.259 569 L C 0.554 177.438 176.870 0.022 0.000 1.316 569 L CA -0.348 54.549 54.840 0.094 0.000 0.992 569 L CB 0.130 42.235 42.059 0.076 0.000 1.390 569 L HN 0.496 nan 8.230 nan 0.000 0.550 570 E N 0.179 120.370 120.200 -0.014 0.000 2.313 570 E HA 0.188 4.537 4.350 -0.001 0.000 0.276 570 E C 0.212 176.682 176.600 -0.217 0.000 1.031 570 E CA -0.091 56.261 56.400 -0.079 0.000 0.857 570 E CB 0.772 30.432 29.700 -0.066 0.000 1.040 570 E HN 0.214 nan 8.360 nan 0.000 0.408 571 S N 2.847 118.431 115.700 -0.193 0.000 3.858 571 S HA -0.158 4.311 4.470 -0.001 0.000 0.356 571 S C -0.481 174.026 174.600 -0.156 0.000 1.013 571 S CA 0.900 58.954 58.200 -0.244 0.000 1.083 571 S CB -1.448 61.357 63.200 -0.659 0.000 0.883 571 S HN 0.757 nan 8.310 nan 0.000 0.475 572 N N 0.563 119.203 118.700 -0.099 0.000 2.282 572 N HA 0.425 5.164 4.740 -0.001 0.000 0.240 572 N C 0.912 176.376 175.510 -0.076 0.000 1.182 572 N CA 0.334 53.333 53.050 -0.085 0.000 0.874 572 N CB 1.060 39.475 38.487 -0.119 0.000 1.126 572 N HN 0.629 nan 8.380 nan 0.000 0.516 573 G N 0.747 109.520 108.800 -0.045 0.000 2.321 573 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.287 573 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.287 573 G C -0.254 174.630 174.900 -0.027 0.000 1.018 573 G CA 0.034 45.119 45.100 -0.025 0.000 0.855 573 G HN 0.176 nan 8.290 nan 0.000 0.507 574 L N 0.777 121.978 121.223 -0.038 0.000 2.380 574 L HA 0.514 4.853 4.340 -0.001 0.000 0.273 574 L C 0.973 177.867 176.870 0.039 0.000 1.138 574 L CA 0.656 55.488 54.840 -0.012 0.000 0.832 574 L CB 1.512 43.550 42.059 -0.034 0.000 1.124 574 L HN 0.447 nan 8.230 nan 0.000 0.454 575 D N -0.102 120.339 120.400 0.069 0.000 2.523 575 D HA 0.087 4.726 4.640 -0.001 0.000 0.269 575 D C -0.175 176.166 176.300 0.068 0.000 1.374 575 D CA -0.100 53.937 54.000 0.062 0.000 0.820 575 D CB 0.050 40.875 40.800 0.041 0.000 1.211 575 D HN 0.484 nan 8.370 nan 0.000 0.502 576 E N 1.088 121.347 120.200 0.099 0.000 2.829 576 E HA 0.136 4.485 4.350 -0.001 0.000 0.369 576 E C -0.832 175.820 176.600 0.087 0.000 1.097 576 E CA -0.259 56.180 56.400 0.065 0.000 0.822 576 E CB 1.243 30.963 29.700 0.034 0.000 1.502 576 E HN 0.302 nan 8.360 nan 0.000 0.387 577 I N 2.265 122.909 120.570 0.124 0.000 2.587 577 I HA 0.228 4.397 4.170 -0.001 0.000 0.284 577 I C -1.901 174.165 176.117 -0.085 0.000 1.134 577 I CA -1.160 60.212 61.300 0.120 0.000 1.410 577 I CB 0.425 38.566 38.000 0.235 0.000 1.392 577 I HN 0.183 nan 8.210 nan 0.000 0.545 578 P HA 0.056 nan 4.420 nan 0.000 0.270 578 P C -0.709 176.449 177.300 -0.237 0.000 1.223 578 P CA -0.222 62.708 63.100 -0.284 0.000 0.785 578 P CB 0.743 32.184 31.700 -0.432 0.000 0.923 579 V N -1.509 118.292 119.914 -0.189 0.000 2.408 579 V HA 0.638 4.757 4.120 -0.001 0.000 0.267 579 V C 1.226 177.227 176.094 -0.154 0.000 1.047 579 V CA 0.344 62.553 62.300 -0.151 0.000 0.937 579 V CB -0.146 31.615 31.823 -0.104 0.000 0.999 579 V HN 1.016 nan 8.190 nan 0.000 0.472 580 G N 2.904 111.613 108.800 -0.153 0.000 2.367 580 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.181 580 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.181 580 G C 0.500 175.287 174.900 -0.189 0.000 1.000 580 G CA 0.483 45.499 45.100 -0.138 0.000 0.693 580 G HN 1.686 nan 8.290 nan 0.000 0.480 581 V N -2.090 117.628 119.914 -0.327 0.000 2.970 581 V HA 0.347 4.467 4.120 -0.001 0.000 0.260 581 V C 1.804 177.588 176.094 -0.517 0.000 1.100 581 V CA 1.744 63.763 62.300 -0.468 0.000 1.122 581 V CB -0.765 30.669 31.823 -0.649 0.000 0.721 581 V HN 0.265 nan 8.190 nan 0.000 0.483 582 F N 0.450 120.383 119.950 -0.028 0.000 2.654 582 F HA 0.461 4.987 4.527 -0.001 0.000 0.303 582 F C 1.031 176.775 175.800 -0.094 0.000 1.099 582 F CA -1.187 56.803 58.000 -0.018 0.000 1.270 582 F CB -0.000 39.025 39.000 0.042 0.000 1.024 582 F HN 0.005 nan 8.300 nan 0.000 0.548 583 K N 1.753 122.157 120.400 0.006 0.000 2.416 583 K HA 0.055 4.375 4.320 -0.001 0.000 0.283 583 K C 0.464 177.014 176.600 -0.084 0.000 1.037 583 K CA 0.430 56.681 56.287 -0.061 0.000 0.995 583 K CB 0.047 32.517 32.500 -0.049 0.000 0.938 583 K HN 0.214 nan 8.250 nan 0.000 0.475 584 N N 2.397 120.961 118.700 -0.227 0.000 2.925 584 N HA -0.181 4.558 4.740 -0.001 0.000 0.244 584 N C -1.035 174.430 175.510 -0.074 0.000 1.000 584 N CA 0.885 53.865 53.050 -0.117 0.000 0.895 584 N CB -1.357 37.199 38.487 0.114 0.000 1.119 584 N HN 0.539 nan 8.380 nan 0.000 0.569 585 L N 0.397 121.522 121.223 -0.163 0.000 2.407 585 L HA 0.379 4.718 4.340 -0.001 0.000 0.261 585 L C 0.770 177.607 176.870 -0.055 0.000 1.108 585 L CA -0.444 54.387 54.840 -0.015 0.000 0.995 585 L CB -0.351 41.758 42.059 0.082 0.000 1.349 585 L HN -0.127 nan 8.230 nan 0.000 0.423 586 F N 0.240 120.230 119.950 0.066 0.000 2.754 586 F HA 0.074 4.600 4.527 -0.001 0.000 0.297 586 F C 1.834 177.683 175.800 0.082 0.000 1.122 586 F CA 0.498 58.537 58.000 0.065 0.000 1.400 586 F CB 0.300 39.324 39.000 0.040 0.000 1.117 586 F HN 0.442 nan 8.300 nan 0.000 0.587 587 E N 0.052 120.405 120.200 0.255 0.000 2.474 587 E HA 0.122 4.472 4.350 -0.001 0.000 0.195 587 E C 0.318 177.084 176.600 0.276 0.000 1.039 587 E CA -0.131 56.437 56.400 0.280 0.000 0.881 587 E CB 0.310 30.226 29.700 0.360 0.000 0.970 587 E HN 0.241 nan 8.360 nan 0.000 0.486 588 L N 1.743 123.071 121.223 0.176 0.000 2.584 588 L HA -0.062 4.278 4.340 -0.001 0.000 0.272 588 L C 1.140 178.070 176.870 0.099 0.000 1.195 588 L CA 0.218 55.138 54.840 0.133 0.000 0.920 588 L CB 0.414 42.513 42.059 0.067 0.000 1.173 588 L HN -0.073 nan 8.230 nan 0.000 0.489 589 K N 0.833 121.293 120.400 0.100 0.000 2.350 589 K HA 0.171 4.490 4.320 -0.001 0.000 0.196 589 K C 0.152 176.771 176.600 0.032 0.000 1.084 589 K CA 0.264 56.583 56.287 0.052 0.000 0.967 589 K CB 0.665 33.184 32.500 0.033 0.000 0.950 589 K HN 0.417 nan 8.250 nan 0.000 0.512 590 S N 0.062 115.787 115.700 0.042 0.000 2.571 590 S HA 0.620 5.089 4.470 -0.001 0.000 0.284 590 S C -1.386 173.223 174.600 0.016 0.000 1.128 590 S CA -0.715 57.498 58.200 0.021 0.000 0.970 590 S CB 0.559 63.780 63.200 0.034 0.000 1.039 590 S HN 0.079 nan 8.310 nan 0.000 0.485 591 I N 4.306 124.862 120.570 -0.025 0.000 2.447 591 I HA 0.395 4.564 4.170 -0.001 0.000 0.287 591 I C -0.662 175.451 176.117 -0.007 0.000 1.023 591 I CA -0.783 60.498 61.300 -0.031 0.000 1.083 591 I CB 1.909 39.816 38.000 -0.156 0.000 1.245 591 I HN 0.463 nan 8.210 nan 0.000 0.434 592 N N 7.660 126.384 118.700 0.039 0.000 2.564 592 N HA 0.396 5.135 4.740 -0.001 0.000 0.248 592 N C -0.581 174.971 175.510 0.069 0.000 0.986 592 N CA -0.333 52.747 53.050 0.050 0.000 0.921 592 N CB 1.053 39.571 38.487 0.051 0.000 1.136 592 N HN 0.594 nan 8.380 nan 0.000 0.509 593 L N 1.940 123.212 121.223 0.081 0.000 3.062 593 L HA 0.450 4.789 4.340 -0.001 0.000 0.255 593 L C 1.418 178.335 176.870 0.078 0.000 1.274 593 L CA -0.643 54.256 54.840 0.099 0.000 1.047 593 L CB 0.299 42.454 42.059 0.160 0.000 1.402 593 L HN 0.455 nan 8.230 nan 0.000 0.550 594 G N -0.570 108.266 108.800 0.060 0.000 2.716 594 G HA2 0.237 4.196 3.960 -0.001 0.000 0.251 594 G HA3 0.237 4.196 3.960 -0.001 0.000 0.251 594 G C 0.444 175.362 174.900 0.030 0.000 1.224 594 G CA -0.505 44.629 45.100 0.056 0.000 0.891 594 G HN 0.255 nan 8.290 nan 0.000 0.561 595 L N 0.088 121.329 121.223 0.031 0.000 3.762 595 L HA -0.186 4.154 4.340 -0.001 0.000 0.460 595 L C 0.574 177.442 176.870 -0.004 0.000 1.255 595 L CA 0.784 55.629 54.840 0.008 0.000 0.783 595 L CB -1.951 40.104 42.059 -0.007 0.000 1.600 595 L HN 0.660 nan 8.230 nan 0.000 0.862 596 N N -0.354 118.353 118.700 0.012 0.000 3.455 596 N HA 0.470 5.209 4.740 -0.001 0.000 0.358 596 N C 0.251 175.770 175.510 0.016 0.000 1.580 596 N CA -0.690 52.366 53.050 0.009 0.000 0.692 596 N CB 0.621 39.119 38.487 0.019 0.000 1.978 596 N HN 0.146 nan 8.380 nan 0.000 0.651 597 N N 0.585 119.299 118.700 0.023 0.000 2.365 597 N HA 0.276 5.015 4.740 -0.001 0.000 0.257 597 N C -0.534 174.997 175.510 0.035 0.000 1.287 597 N CA -0.005 53.059 53.050 0.023 0.000 0.882 597 N CB 1.030 39.527 38.487 0.018 0.000 1.250 597 N HN 0.354 nan 8.380 nan 0.000 0.507 598 L N 0.654 121.908 121.223 0.052 0.000 2.456 598 L HA 0.117 4.456 4.340 -0.001 0.000 0.272 598 L C 1.314 178.218 176.870 0.057 0.000 1.189 598 L CA 0.245 55.127 54.840 0.069 0.000 0.846 598 L CB 0.457 42.580 42.059 0.107 0.000 1.111 598 L HN 0.133 nan 8.230 nan 0.000 0.475 599 N N 1.517 120.249 118.700 0.053 0.000 3.400 599 N HA 0.061 4.801 4.740 -0.001 0.000 0.246 599 N C -0.203 175.337 175.510 0.050 0.000 1.034 599 N CA 0.212 53.289 53.050 0.045 0.000 1.158 599 N CB 0.658 39.162 38.487 0.029 0.000 1.349 599 N HN 0.394 nan 8.380 nan 0.000 0.865 600 K N 1.513 121.930 120.400 0.028 0.000 2.312 600 K HA 0.275 4.594 4.320 -0.001 0.000 0.287 600 K C -0.824 175.768 176.600 -0.013 0.000 1.062 600 K CA -0.261 56.030 56.287 0.007 0.000 0.934 600 K CB 1.012 33.508 32.500 -0.007 0.000 1.027 600 K HN 0.217 nan 8.250 nan 0.000 0.478 601 L N 3.076 124.274 121.223 -0.042 0.000 2.341 601 L HA 0.319 4.658 4.340 -0.001 0.000 0.278 601 L C 0.255 177.013 176.870 -0.187 0.000 1.005 601 L CA -0.741 54.031 54.840 -0.114 0.000 0.818 601 L CB 1.409 43.377 42.059 -0.151 0.000 1.259 601 L HN 0.515 nan 8.230 nan 0.000 0.418 602 E N 3.487 123.564 120.200 -0.205 0.000 2.344 602 E HA 0.241 4.591 4.350 -0.001 0.000 0.270 602 E C -2.169 174.228 176.600 -0.339 0.000 1.021 602 E CA -1.811 54.455 56.400 -0.224 0.000 0.887 602 E CB 0.621 30.220 29.700 -0.168 0.000 0.997 602 E HN 0.260 nan 8.360 nan 0.000 0.429 603 P HA 0.046 nan 4.420 nan 0.000 0.268 603 P C -0.269 176.562 177.300 -0.782 0.000 1.205 603 P CA 0.219 62.846 63.100 -0.789 0.000 0.771 603 P CB 0.168 31.211 31.700 -1.095 0.000 0.858 604 F N -1.342 118.472 119.950 -0.225 0.000 2.258 604 F HA -0.272 4.254 4.527 -0.001 0.000 0.438 604 F C 1.655 177.326 175.800 -0.216 0.000 0.547 604 F CA 0.120 58.009 58.000 -0.185 0.000 1.725 604 F CB -2.254 36.666 39.000 -0.133 0.000 2.391 604 F HN 0.245 nan 8.300 nan 0.000 0.260 605 I N -1.866 118.564 120.570 -0.233 0.000 2.185 605 I HA -0.261 3.908 4.170 -0.001 0.000 0.246 605 I C 1.610 177.535 176.117 -0.321 0.000 1.088 605 I CA 1.776 62.869 61.300 -0.344 0.000 1.347 605 I CB -0.614 36.994 38.000 -0.653 0.000 1.041 605 I HN 0.065 nan 8.210 nan 0.000 0.415 606 F N 1.403 121.295 119.950 -0.097 0.000 2.798 606 F HA 0.198 4.725 4.527 -0.001 0.000 0.291 606 F C 1.366 177.117 175.800 -0.082 0.000 1.174 606 F CA -0.573 57.344 58.000 -0.138 0.000 1.392 606 F CB -0.918 37.949 39.000 -0.222 0.000 0.966 606 F HN 0.014 nan 8.300 nan 0.000 0.509 607 D N 0.492 120.935 120.400 0.072 0.000 2.178 607 D HA -0.144 4.495 4.640 -0.001 0.000 0.201 607 D C 1.303 177.623 176.300 0.034 0.000 0.980 607 D CA 1.408 55.449 54.000 0.068 0.000 0.842 607 D CB 0.129 40.962 40.800 0.055 0.000 0.948 607 D HN 0.118 nan 8.370 nan 0.000 0.472 608 D N -0.420 119.943 120.400 -0.062 0.000 2.340 608 D HA 0.032 4.671 4.640 -0.001 0.000 0.217 608 D C 0.051 176.266 176.300 -0.142 0.000 1.081 608 D CA 0.148 53.996 54.000 -0.252 0.000 0.842 608 D CB 0.192 40.506 40.800 -0.810 0.000 0.934 608 D HN 0.113 nan 8.370 nan 0.000 0.511 609 Q N -0.168 119.629 119.800 -0.004 0.000 2.901 609 Q HA 0.183 4.522 4.340 -0.001 0.000 0.265 609 Q C 1.060 177.099 176.000 0.064 0.000 1.263 609 Q CA -0.088 55.726 55.803 0.018 0.000 1.088 609 Q CB 0.525 29.250 28.738 -0.022 0.000 1.339 609 Q HN 0.128 nan 8.270 nan 0.000 0.546 610 T N -4.652 109.966 114.554 0.108 0.000 3.037 610 T HA 0.063 4.413 4.350 -0.001 0.000 0.252 610 T C 1.277 176.047 174.700 0.117 0.000 1.073 610 T CA 0.171 62.346 62.100 0.124 0.000 1.091 610 T CB 0.205 69.161 68.868 0.145 0.000 0.935 610 T HN 0.162 nan 8.240 nan 0.000 0.488 611 S N 1.348 117.117 115.700 0.114 0.000 2.701 611 S HA 0.313 4.783 4.470 -0.001 0.000 0.220 611 S C 0.354 174.996 174.600 0.069 0.000 0.954 611 S CA -0.464 57.792 58.200 0.092 0.000 0.936 611 S CB -0.577 62.683 63.200 0.099 0.000 0.777 611 S HN 0.378 nan 8.310 nan 0.000 0.518 612 L N 3.052 124.311 121.223 0.059 0.000 2.513 612 L HA 0.104 4.443 4.340 -0.001 0.000 0.272 612 L C 1.296 178.190 176.870 0.040 0.000 1.187 612 L CA 0.506 55.364 54.840 0.031 0.000 0.895 612 L CB 0.394 42.449 42.059 -0.006 0.000 1.147 612 L HN 0.089 nan 8.230 nan 0.000 0.483 613 R N 1.679 122.195 120.500 0.027 0.000 2.189 613 R HA 0.172 4.511 4.340 -0.001 0.000 0.203 613 R C 0.178 176.487 176.300 0.016 0.000 1.012 613 R CA 0.287 56.402 56.100 0.025 0.000 1.015 613 R CB 0.206 30.517 30.300 0.019 0.000 0.938 613 R HN 0.588 nan 8.270 nan 0.000 0.472 614 S N 0.639 116.342 115.700 0.005 0.000 2.619 614 S HA 0.486 4.955 4.470 -0.001 0.000 0.280 614 S C -1.917 172.671 174.600 -0.020 0.000 1.150 614 S CA -0.754 57.446 58.200 -0.000 0.000 0.978 614 S CB 1.283 64.489 63.200 0.010 0.000 1.041 614 S HN 0.078 nan 8.310 nan 0.000 0.485 615 L N 4.921 126.132 121.223 -0.021 0.000 2.406 615 L HA 0.732 5.071 4.340 -0.001 0.000 0.272 615 L C -1.235 175.642 176.870 0.013 0.000 0.980 615 L CA -0.236 54.585 54.840 -0.031 0.000 0.831 615 L CB 1.839 43.874 42.059 -0.040 0.000 1.253 615 L HN 0.705 nan 8.230 nan 0.000 0.406 616 N N 4.989 123.705 118.700 0.026 0.000 2.491 616 N HA 0.485 5.224 4.740 -0.001 0.000 0.274 616 N C -1.212 174.345 175.510 0.077 0.000 1.023 616 N CA -0.328 52.757 53.050 0.059 0.000 0.902 616 N CB 1.057 39.578 38.487 0.057 0.000 1.267 616 N HN 0.661 nan 8.380 nan 0.000 0.503 617 L N 2.715 124.000 121.223 0.103 0.000 3.255 617 L HA 0.276 4.615 4.340 -0.001 0.000 0.293 617 L C 0.617 177.544 176.870 0.095 0.000 1.302 617 L CA -0.575 54.336 54.840 0.117 0.000 0.977 617 L CB 0.088 42.250 42.059 0.171 0.000 1.390 617 L HN 0.568 nan 8.230 nan 0.000 0.588 618 Q N 0.341 120.195 119.800 0.090 0.000 2.432 618 Q HA 0.090 4.430 4.340 -0.001 0.000 0.264 618 Q C 0.093 176.155 176.000 0.103 0.000 1.035 618 Q CA -0.362 55.496 55.803 0.093 0.000 0.908 618 Q CB 0.441 29.260 28.738 0.135 0.000 1.280 618 Q HN 0.139 nan 8.270 nan 0.000 0.455 619 K N 0.738 121.220 120.400 0.137 0.000 3.244 619 K HA -0.271 4.048 4.320 -0.001 0.000 0.270 619 K C -1.243 175.376 176.600 0.032 0.000 1.016 619 K CA 0.744 57.089 56.287 0.097 0.000 0.754 619 K CB -1.269 31.266 32.500 0.058 0.000 1.326 619 K HN 0.880 nan 8.250 nan 0.000 0.465 620 N N -0.892 117.814 118.700 0.010 0.000 3.178 620 N HA 0.580 5.319 4.740 -0.001 0.000 0.352 620 N C -0.482 175.010 175.510 -0.031 0.000 1.423 620 N CA -0.754 52.299 53.050 0.005 0.000 0.698 620 N CB 0.473 38.979 38.487 0.032 0.000 1.400 620 N HN 0.038 nan 8.380 nan 0.000 0.586 621 L N 0.802 122.012 121.223 -0.021 0.000 3.289 621 L HA 0.479 4.818 4.340 -0.001 0.000 0.291 621 L C -0.839 176.006 176.870 -0.041 0.000 1.279 621 L CA -0.025 54.794 54.840 -0.035 0.000 1.025 621 L CB -0.039 42.017 42.059 -0.005 0.000 1.413 621 L HN 0.422 nan 8.230 nan 0.000 0.593 622 I N -0.654 119.877 120.570 -0.065 0.000 2.588 622 I HA 0.010 4.180 4.170 -0.001 0.000 0.283 622 I C 1.254 177.346 176.117 -0.041 0.000 1.119 622 I CA 0.516 61.806 61.300 -0.017 0.000 1.419 622 I CB 1.151 39.170 38.000 0.031 0.000 1.394 622 I HN 0.124 nan 8.210 nan 0.000 0.562 623 T N 2.948 117.530 114.554 0.045 0.000 2.987 623 T HA 0.119 4.468 4.350 -0.001 0.000 0.248 623 T C 0.490 175.274 174.700 0.139 0.000 0.997 623 T CA 0.290 62.437 62.100 0.078 0.000 1.013 623 T CB 0.387 69.290 68.868 0.058 0.000 1.077 623 T HN 0.540 nan 8.240 nan 0.000 0.483 624 S N 0.385 116.152 115.700 0.112 0.000 2.600 624 S HA 0.681 5.150 4.470 -0.001 0.000 0.300 624 S C -0.909 173.729 174.600 0.063 0.000 1.087 624 S CA -0.573 57.681 58.200 0.091 0.000 0.965 624 S CB 2.334 65.571 63.200 0.062 0.000 1.089 624 S HN 0.015 nan 8.310 nan 0.000 0.496 625 V N 2.557 122.469 119.914 -0.003 0.000 2.554 625 V HA 0.291 4.410 4.120 -0.001 0.000 0.258 625 V C -0.441 175.723 176.094 0.116 0.000 0.919 625 V CA -0.674 61.527 62.300 -0.165 0.000 0.910 625 V CB 0.735 31.981 31.823 -0.962 0.000 1.100 625 V HN 0.688 nan 8.190 nan 0.000 0.491 626 E N 1.733 121.996 120.200 0.105 0.000 2.345 626 E HA 0.247 4.596 4.350 -0.001 0.000 0.259 626 E C 0.901 177.190 176.600 -0.519 0.000 1.117 626 E CA -0.329 56.001 56.400 -0.116 0.000 0.913 626 E CB 1.763 31.368 29.700 -0.158 0.000 1.057 626 E HN 0.417 nan 8.360 nan 0.000 0.432 627 K N 1.036 120.842 120.400 -0.989 0.000 2.166 627 K HA -0.100 4.219 4.320 -0.001 0.000 0.201 627 K C 0.956 177.098 176.600 -0.763 0.000 1.052 627 K CA 1.023 56.372 56.287 -1.564 0.000 0.969 627 K CB 0.091 31.500 32.500 -1.819 0.000 0.761 627 K HN 0.373 nan 8.250 nan 0.000 0.459 628 D N 0.281 120.351 120.400 -0.551 0.000 2.351 628 D HA -0.115 4.524 4.640 -0.001 0.000 0.216 628 D C 1.447 177.427 176.300 -0.533 0.000 0.968 628 D CA 0.728 54.451 54.000 -0.462 0.000 0.899 628 D CB 0.145 40.652 40.800 -0.489 0.000 0.907 628 D HN 0.107 nan 8.370 nan 0.000 0.514 629 V N -1.194 118.415 119.914 -0.508 0.000 2.743 629 V HA 0.128 4.247 4.120 -0.001 0.000 0.237 629 V C 1.552 177.319 176.094 -0.546 0.000 1.113 629 V CA 0.454 62.423 62.300 -0.551 0.000 1.141 629 V CB -0.376 31.055 31.823 -0.654 0.000 0.873 629 V HN 0.028 nan 8.190 nan 0.000 0.486 630 F N 1.296 120.990 119.950 -0.427 0.000 2.776 630 F HA 0.315 4.841 4.527 -0.001 0.000 0.300 630 F C 2.185 177.598 175.800 -0.646 0.000 1.116 630 F CA 0.676 58.317 58.000 -0.597 0.000 1.375 630 F CB -0.705 37.691 39.000 -1.007 0.000 1.109 630 F HN 0.171 nan 8.300 nan 0.000 0.585 631 G N 1.914 110.474 108.800 -0.400 0.000 2.628 631 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.217 631 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.217 631 G C -0.588 174.326 174.900 0.023 0.000 1.240 631 G CA 0.987 46.000 45.100 -0.145 0.000 0.792 631 G HN 0.180 nan 8.290 nan 0.000 0.593 632 P HA -0.112 nan 4.420 nan 0.000 0.214 632 P C -1.077 176.307 177.300 0.141 0.000 1.169 632 P CA 2.769 65.926 63.100 0.094 0.000 0.908 632 P CB -0.866 30.885 31.700 0.085 0.000 0.791 633 P HA -0.150 nan 4.420 nan 0.000 0.216 633 P C 1.277 178.782 177.300 0.341 0.000 1.150 633 P CA 1.361 64.561 63.100 0.168 0.000 0.837 633 P CB -0.653 31.083 31.700 0.061 0.000 0.786 634 F N 0.476 120.469 119.950 0.072 0.000 2.583 634 F HA -0.077 4.449 4.527 -0.001 0.000 0.297 634 F C 2.351 178.310 175.800 0.265 0.000 1.131 634 F CA 0.495 58.548 58.000 0.089 0.000 1.467 634 F CB -1.437 37.399 39.000 -0.273 0.000 1.097 634 F HN 0.060 nan 8.300 nan 0.000 0.586 635 Q N -0.656 119.373 119.800 0.381 0.000 2.224 635 Q HA -0.113 4.226 4.340 -0.001 0.000 0.203 635 Q C 1.022 177.178 176.000 0.261 0.000 0.970 635 Q CA 1.125 57.120 55.803 0.320 0.000 0.865 635 Q CB -0.012 28.864 28.738 0.229 0.000 0.922 635 Q HN 0.268 nan 8.270 nan 0.000 0.445 636 N N -0.786 118.046 118.700 0.220 0.000 2.142 636 N HA 0.091 4.830 4.740 -0.001 0.000 0.233 636 N C -1.059 174.529 175.510 0.130 0.000 1.335 636 N CA -0.136 53.007 53.050 0.154 0.000 0.837 636 N CB 0.847 39.405 38.487 0.118 0.000 1.238 636 N HN 0.065 nan 8.380 nan 0.000 0.501 637 L N 1.848 123.168 121.223 0.161 0.000 2.499 637 L HA 0.112 4.452 4.340 -0.001 0.000 0.273 637 L C 1.228 178.142 176.870 0.074 0.000 1.195 637 L CA 0.869 55.771 54.840 0.103 0.000 0.882 637 L CB 0.217 42.326 42.059 0.083 0.000 1.133 637 L HN 0.143 nan 8.230 nan 0.000 0.483 638 N N 0.952 119.676 118.700 0.040 0.000 2.409 638 N HA 0.021 4.761 4.740 -0.001 0.000 0.174 638 N C -0.265 175.248 175.510 0.005 0.000 1.037 638 N CA 0.073 53.137 53.050 0.022 0.000 0.898 638 N CB 0.390 38.886 38.487 0.016 0.000 1.010 638 N HN 0.520 nan 8.380 nan 0.000 0.445 639 S N 0.579 116.281 115.700 0.003 0.000 2.603 639 S HA 0.504 4.973 4.470 -0.001 0.000 0.274 639 S C -2.099 172.493 174.600 -0.013 0.000 1.168 639 S CA -0.705 57.491 58.200 -0.006 0.000 0.963 639 S CB 1.126 64.329 63.200 0.004 0.000 1.078 639 S HN 0.100 nan 8.310 nan 0.000 0.477 640 L N 3.946 125.160 121.223 -0.015 0.000 2.408 640 L HA 0.824 5.163 4.340 -0.001 0.000 0.268 640 L C -1.659 175.250 176.870 0.066 0.000 0.986 640 L CA -0.147 54.686 54.840 -0.012 0.000 0.820 640 L CB 2.114 44.120 42.059 -0.088 0.000 1.303 640 L HN 0.693 nan 8.230 nan 0.000 0.411 641 D N 4.998 125.458 120.400 0.100 0.000 2.575 641 D HA 0.393 5.033 4.640 -0.001 0.000 0.250 641 D C -0.640 175.757 176.300 0.162 0.000 1.279 641 D CA 0.037 54.128 54.000 0.152 0.000 0.925 641 D CB 1.311 42.173 40.800 0.102 0.000 1.261 641 D HN 0.726 nan 8.370 nan 0.000 0.567 642 M N 3.917 123.663 119.600 0.243 0.000 3.340 642 M HA 0.152 4.631 4.480 -0.001 0.000 0.471 642 M C -0.393 175.911 176.300 0.008 0.000 1.550 642 M CA -0.476 54.958 55.300 0.224 0.000 0.754 642 M CB 0.346 33.166 32.600 0.367 0.000 1.485 642 M HN 0.283 nan 8.290 nan 0.000 0.530 643 R N -0.632 119.579 120.500 -0.482 0.000 2.541 643 R HA 0.527 4.867 4.340 -0.001 0.000 0.263 643 R C -0.560 175.370 176.300 -0.617 0.000 1.112 643 R CA -0.340 55.089 56.100 -1.120 0.000 1.170 643 R CB 0.119 29.503 30.300 -1.526 0.000 1.167 643 R HN 0.145 nan 8.270 nan 0.000 0.582 644 F N -2.072 117.685 119.950 -0.321 0.000 3.071 644 F HA -0.229 4.298 4.527 -0.001 0.000 0.295 644 F C -0.991 174.629 175.800 -0.300 0.000 0.919 644 F CA 0.521 58.367 58.000 -0.256 0.000 1.050 644 F CB -2.332 36.550 39.000 -0.197 0.000 1.040 644 F HN 0.685 nan 8.300 nan 0.000 0.692 645 N N -0.097 118.359 118.700 -0.406 0.000 2.258 645 N HA 0.506 5.246 4.740 -0.001 0.000 0.299 645 N C -2.609 172.458 175.510 -0.738 0.000 1.047 645 N CA -1.946 50.731 53.050 -0.621 0.000 0.814 645 N CB 1.803 39.772 38.487 -0.862 0.000 1.413 645 N HN -0.305 nan 8.380 nan 0.000 0.478 646 P HA 0.039 nan 4.420 nan 0.000 0.237 646 P C -0.792 176.440 177.300 -0.114 0.000 1.701 646 P CA 0.013 63.015 63.100 -0.163 0.000 0.955 646 P CB -0.626 31.042 31.700 -0.052 0.000 1.937 647 F N 0.871 120.861 119.950 0.067 0.000 2.612 647 F HA -0.047 4.480 4.527 -0.000 0.000 0.389 647 F C 1.405 177.239 175.800 0.058 0.000 1.055 647 F CA 0.157 58.195 58.000 0.064 0.000 1.232 647 F CB -0.211 38.844 39.000 0.091 0.000 1.044 647 F HN 0.073 nan 8.300 nan 0.000 0.560 648 D N 3.142 123.672 120.400 0.217 0.000 2.352 648 D HA 0.073 4.712 4.640 -0.001 0.000 0.245 648 D C -0.563 175.738 176.300 0.003 0.000 1.224 648 D CA -0.317 53.756 54.000 0.121 0.000 0.879 648 D CB 0.401 41.255 40.800 0.091 0.000 1.057 648 D HN 0.504 nan 8.370 nan 0.000 0.491 649 c N 4.740 123.306 118.600 -0.058 0.000 3.329 649 c HA 0.243 4.813 4.570 -0.001 0.000 0.537 649 c C 0.525 174.454 174.090 -0.269 0.000 1.034 649 c CA -0.097 56.004 56.329 -0.379 0.000 1.086 649 c CB -2.361 39.901 42.510 -0.414 0.000 1.392 649 c HN 0.592 nan 8.230 nan 0.000 0.612 650 T N -2.257 112.159 114.554 -0.230 0.000 2.900 650 T HA 0.218 4.567 4.350 -0.001 0.000 0.295 650 T C 0.817 175.508 174.700 -0.015 0.000 1.044 650 T CA -0.647 61.457 62.100 0.007 0.000 0.995 650 T CB 1.015 69.931 68.868 0.081 0.000 1.072 650 T HN 0.281 nan 8.240 nan 0.000 0.473 651 c N 0.987 119.703 118.600 0.193 0.000 2.403 651 c HA -0.081 4.488 4.570 -0.001 0.000 0.279 651 c C 2.585 176.738 174.090 0.104 0.000 1.269 651 c CA 1.525 57.962 56.329 0.180 0.000 1.774 651 c CB -1.252 41.395 42.510 0.228 0.000 1.993 651 c HN 1.097 nan 8.230 nan 0.000 0.496 652 E N -0.155 120.094 120.200 0.082 0.000 2.150 652 E HA -0.140 4.209 4.350 -0.001 0.000 0.193 652 E C 1.956 178.586 176.600 0.050 0.000 0.985 652 E CA 1.372 57.809 56.400 0.062 0.000 0.814 652 E CB 0.100 29.831 29.700 0.053 0.000 0.752 652 E HN 0.638 nan 8.360 nan 0.000 0.466 653 S N -0.180 115.537 115.700 0.028 0.000 2.499 653 S HA 0.094 4.564 4.470 -0.001 0.000 0.225 653 S C 1.748 176.373 174.600 0.042 0.000 1.050 653 S CA 0.440 58.659 58.200 0.031 0.000 0.928 653 S CB 0.361 63.577 63.200 0.027 0.000 0.803 653 S HN 0.488 nan 8.310 nan 0.000 0.506 654 I N -0.863 119.690 120.570 -0.028 0.000 4.557 654 I HA 0.337 4.506 4.170 -0.001 0.000 0.333 654 I C 1.815 177.958 176.117 0.044 0.000 1.332 654 I CA 0.287 61.590 61.300 0.005 0.000 1.240 654 I CB -0.054 37.846 38.000 -0.166 0.000 1.312 654 I HN 0.175 nan 8.210 nan 0.000 0.457 655 S N 2.216 117.958 115.700 0.071 0.000 2.359 655 S HA -0.297 4.172 4.470 -0.001 0.000 0.223 655 S C 1.849 176.566 174.600 0.196 0.000 1.039 655 S CA 1.933 60.227 58.200 0.157 0.000 1.042 655 S CB -1.027 62.292 63.200 0.198 0.000 0.915 655 S HN 0.782 nan 8.310 nan 0.000 0.439 656 W N 1.148 122.512 121.300 0.106 0.000 2.335 656 W HA -0.070 4.589 4.660 -0.001 0.000 0.311 656 W C 1.940 178.597 176.519 0.230 0.000 1.213 656 W CA 1.408 58.834 57.345 0.136 0.000 1.274 656 W CB -0.864 28.648 29.460 0.087 0.000 1.148 656 W HN 0.333 nan 8.180 nan 0.000 0.498 657 F N 0.950 120.885 119.950 -0.026 0.000 2.046 657 F HA -0.235 4.291 4.527 -0.001 0.000 0.297 657 F C 2.247 177.936 175.800 -0.185 0.000 1.123 657 F CA 2.417 60.271 58.000 -0.243 0.000 1.199 657 F CB -1.208 37.741 39.000 -0.086 0.000 0.972 657 F HN -0.214 nan 8.300 nan 0.000 0.474 658 V N 1.056 120.853 119.914 -0.195 0.000 2.469 658 V HA -0.346 3.773 4.120 -0.001 0.000 0.251 658 V C 2.302 178.271 176.094 -0.207 0.000 1.064 658 V CA 2.052 64.182 62.300 -0.284 0.000 1.066 658 V CB -0.939 30.816 31.823 -0.113 0.000 0.667 658 V HN 0.371 nan 8.190 nan 0.000 0.461 659 N N -0.959 117.664 118.700 -0.128 0.000 2.106 659 N HA -0.204 4.536 4.740 -0.001 0.000 0.188 659 N C 1.484 176.885 175.510 -0.181 0.000 1.029 659 N CA 1.754 54.733 53.050 -0.118 0.000 0.848 659 N CB -0.467 37.993 38.487 -0.045 0.000 1.007 659 N HN 0.728 nan 8.380 nan 0.000 0.423 660 W N 2.352 123.377 121.300 -0.459 0.000 2.338 660 W HA -0.059 4.601 4.660 0.000 0.000 0.304 660 W C 1.750 178.054 176.519 -0.358 0.000 1.212 660 W CA 0.943 58.021 57.345 -0.445 0.000 1.264 660 W CB -0.157 28.881 29.460 -0.703 0.000 1.142 660 W HN -0.088 nan 8.180 nan 0.000 0.512 661 I N 1.118 121.500 120.570 -0.313 0.000 2.264 661 I HA -0.303 3.866 4.170 -0.001 0.000 0.248 661 I C 2.014 177.805 176.117 -0.544 0.000 1.111 661 I CA 1.723 62.694 61.300 -0.547 0.000 1.382 661 I CB -1.780 35.890 38.000 -0.550 0.000 1.060 661 I HN 0.153 nan 8.210 nan 0.000 0.418 662 N N 1.327 119.782 118.700 -0.410 0.000 2.331 662 N HA -0.192 4.547 4.740 -0.001 0.000 0.180 662 N C 1.447 176.734 175.510 -0.371 0.000 1.019 662 N CA 0.990 53.838 53.050 -0.336 0.000 0.881 662 N CB 0.080 38.430 38.487 -0.228 0.000 0.972 662 N HN 0.549 nan 8.380 nan 0.000 0.435 663 Q N -1.619 117.915 119.800 -0.443 0.000 2.159 663 Q HA 0.282 4.621 4.340 -0.001 0.000 0.217 663 Q C -0.008 175.645 176.000 -0.579 0.000 0.818 663 Q CA -0.277 55.272 55.803 -0.423 0.000 1.008 663 Q CB -0.062 28.514 28.738 -0.271 0.000 1.148 663 Q HN -0.055 nan 8.270 nan 0.000 0.491 664 T N -0.692 113.388 114.554 -0.791 0.000 2.943 664 T HA 0.255 4.604 4.350 -0.001 0.000 0.284 664 T C 0.097 174.384 174.700 -0.687 0.000 1.015 664 T CA -0.529 61.073 62.100 -0.829 0.000 1.042 664 T CB 0.684 68.704 68.868 -1.413 0.000 1.055 664 T HN 0.361 nan 8.240 nan 0.000 0.500 665 H N 1.909 120.801 119.070 -0.296 0.000 2.539 665 H HA 0.194 4.749 4.556 -0.002 0.000 0.269 665 H C 0.784 175.999 175.328 -0.188 0.000 0.980 665 H CA 0.101 56.026 56.048 -0.204 0.000 1.152 665 H CB 0.045 29.732 29.762 -0.125 0.000 1.407 665 H HN 0.524 nan 8.280 nan 0.000 0.564 666 T N 1.584 116.037 114.554 -0.169 0.000 2.906 666 T HA -0.083 4.266 4.350 -0.001 0.000 0.320 666 T C 0.890 175.514 174.700 -0.128 0.000 1.088 666 T CA -0.102 61.935 62.100 -0.105 0.000 1.120 666 T CB 0.942 69.759 68.868 -0.085 0.000 1.000 666 T HN 0.277 nan 8.240 nan 0.000 0.550 667 N N 2.845 121.502 118.700 -0.072 0.000 2.401 667 N HA 0.126 4.865 4.740 -0.001 0.000 0.255 667 N C -0.924 174.535 175.510 -0.084 0.000 1.110 667 N CA -0.244 52.761 53.050 -0.075 0.000 0.949 667 N CB 0.190 38.653 38.487 -0.039 0.000 1.110 667 N HN 0.366 nan 8.380 nan 0.000 0.490 668 I N 1.999 122.489 120.570 -0.132 0.000 2.382 668 I HA 0.151 4.320 4.170 -0.001 0.000 0.286 668 I C 0.777 176.824 176.117 -0.117 0.000 1.002 668 I CA -0.740 60.472 61.300 -0.146 0.000 1.135 668 I CB 0.608 38.428 38.000 -0.301 0.000 1.288 668 I HN 0.297 nan 8.210 nan 0.000 0.448 669 S N 4.627 120.309 115.700 -0.029 0.000 2.646 669 S HA 0.312 4.781 4.470 -0.001 0.000 0.276 669 S C 0.422 175.041 174.600 0.031 0.000 1.222 669 S CA -0.186 58.008 58.200 -0.011 0.000 1.014 669 S CB 0.810 64.020 63.200 0.016 0.000 0.991 669 S HN 0.678 nan 8.310 nan 0.000 0.533 670 E N 0.292 120.475 120.200 -0.029 0.000 2.403 670 E HA -0.224 4.126 4.350 -0.001 0.000 0.241 670 E C 0.494 177.104 176.600 0.016 0.000 1.201 670 E CA 0.514 56.867 56.400 -0.077 0.000 0.721 670 E CB -1.688 27.919 29.700 -0.155 0.000 1.245 670 E HN 0.561 nan 8.360 nan 0.000 0.392 671 L N 0.798 121.977 121.223 -0.073 0.000 2.042 671 L HA -0.154 4.185 4.340 -0.001 0.000 0.210 671 L C 2.292 179.119 176.870 -0.072 0.000 1.076 671 L CA 2.667 57.403 54.840 -0.174 0.000 0.749 671 L CB -0.560 41.305 42.059 -0.324 0.000 0.893 671 L HN 0.317 nan 8.230 nan 0.000 0.432 672 S N -2.498 113.142 115.700 -0.101 0.000 2.522 672 S HA -0.070 4.400 4.470 -0.001 0.000 0.227 672 S C 1.511 176.075 174.600 -0.060 0.000 0.986 672 S CA 1.255 59.395 58.200 -0.100 0.000 0.929 672 S CB -0.451 62.683 63.200 -0.110 0.000 0.769 672 S HN 0.751 nan 8.310 nan 0.000 0.529 673 T N -3.450 111.077 114.554 -0.045 0.000 2.966 673 T HA 0.308 4.657 4.350 -0.001 0.000 0.254 673 T C 0.689 175.518 174.700 0.216 0.000 0.961 673 T CA -0.224 61.871 62.100 -0.007 0.000 0.915 673 T CB -0.224 68.561 68.868 -0.138 0.000 1.186 673 T HN 0.367 nan 8.240 nan 0.000 0.505 674 H N 0.104 119.180 119.070 0.010 0.000 2.512 674 H HA 0.437 4.993 4.556 -0.001 0.000 0.276 674 H C -1.265 173.853 175.328 -0.351 0.000 1.126 674 H CA -1.534 54.399 56.048 -0.193 0.000 1.060 674 H CB -0.174 29.319 29.762 -0.448 0.000 1.646 674 H HN 0.393 nan 8.280 nan 0.000 0.571 675 Y N 1.106 121.436 120.300 0.050 0.000 2.805 675 Y HA 0.369 4.919 4.550 -0.000 0.000 0.339 675 Y C -0.233 175.762 175.900 0.159 0.000 1.012 675 Y CA -0.406 57.785 58.100 0.152 0.000 1.262 675 Y CB 0.786 39.253 38.460 0.012 0.000 1.100 675 Y HN -0.039 nan 8.280 nan 0.000 0.559 676 L N 1.184 122.581 121.223 0.291 0.000 2.330 676 L HA 0.575 4.914 4.340 -0.001 0.000 0.271 676 L C -0.244 176.813 176.870 0.312 0.000 1.013 676 L CA -0.955 54.018 54.840 0.221 0.000 0.816 676 L CB 1.715 43.836 42.059 0.103 0.000 1.287 676 L HN 0.438 nan 8.230 nan 0.000 0.435 677 c N 1.056 119.828 118.600 0.287 0.000 2.601 677 c HA 0.099 4.669 4.570 -0.001 0.000 0.409 677 c C 1.463 175.694 174.090 0.235 0.000 1.293 677 c CA -0.096 56.416 56.329 0.305 0.000 2.101 677 c CB 0.515 43.232 42.510 0.344 0.000 2.639 677 c HN 0.963 nan 8.230 nan 0.000 0.592 678 N N 0.105 118.948 118.700 0.238 0.000 2.564 678 N HA 0.052 4.791 4.740 -0.001 0.000 0.202 678 N C 0.377 176.106 175.510 0.366 0.000 1.052 678 N CA 0.619 53.824 53.050 0.258 0.000 0.872 678 N CB 0.410 38.999 38.487 0.170 0.000 1.303 678 N HN 0.821 nan 8.380 nan 0.000 0.440 679 T N -1.793 112.936 114.554 0.291 0.000 2.930 679 T HA 0.655 5.005 4.350 -0.001 0.000 0.290 679 T C -2.888 172.002 174.700 0.316 0.000 1.052 679 T CA -2.101 60.176 62.100 0.296 0.000 1.017 679 T CB 2.193 71.188 68.868 0.211 0.000 1.137 679 T HN -0.166 nan 8.240 nan 0.000 0.511 680 P HA 0.369 nan 4.420 nan 0.000 0.282 680 P C 0.700 178.250 177.300 0.418 0.000 1.287 680 P CA -0.416 62.884 63.100 0.333 0.000 0.792 680 P CB 0.272 32.133 31.700 0.270 0.000 1.163 681 H N -0.335 118.843 119.070 0.180 0.000 2.277 681 H HA -0.269 4.286 4.556 -0.001 0.000 0.281 681 H C 1.678 177.115 175.328 0.181 0.000 1.125 681 H CA 2.445 58.572 56.048 0.132 0.000 1.165 681 H CB -1.493 28.315 29.762 0.078 0.000 1.364 681 H HN 0.578 nan 8.280 nan 0.000 0.489 682 H N -0.835 118.331 119.070 0.160 0.000 2.567 682 H HA -0.076 4.480 4.556 -0.001 0.000 0.276 682 H C 0.523 175.695 175.328 -0.260 0.000 1.016 682 H CA 0.887 56.876 56.048 -0.097 0.000 1.186 682 H CB -0.204 29.407 29.762 -0.251 0.000 1.351 682 H HN 0.378 nan 8.280 nan 0.000 0.605 683 Y N -1.872 118.511 120.300 0.138 0.000 2.588 683 Y HA 0.110 4.660 4.550 -0.001 0.000 0.247 683 Y C -0.331 175.724 175.900 0.259 0.000 1.157 683 Y CA -0.781 57.381 58.100 0.103 0.000 1.215 683 Y CB -0.227 38.333 38.460 0.166 0.000 1.245 683 Y HN 0.050 nan 8.280 nan 0.000 0.534 684 Y N 1.672 122.113 120.300 0.235 0.000 2.802 684 Y HA 0.296 4.846 4.550 -0.001 0.000 0.351 684 Y C 1.346 177.363 175.900 0.196 0.000 1.237 684 Y CA 1.070 59.286 58.100 0.193 0.000 1.599 684 Y CB -0.142 38.389 38.460 0.118 0.000 1.214 684 Y HN 0.440 nan 8.280 nan 0.000 0.520 685 G N 4.529 113.329 108.800 -0.001 0.000 2.176 685 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.253 685 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.253 685 G C 0.039 175.040 174.900 0.168 0.000 0.979 685 G CA -0.095 44.997 45.100 -0.013 0.000 0.641 685 G HN 0.652 nan 8.290 nan 0.000 0.530 686 F N 3.044 123.064 119.950 0.116 0.000 2.538 686 F HA 0.526 5.053 4.527 -0.001 0.000 0.371 686 F C -1.706 174.187 175.800 0.154 0.000 1.087 686 F CA -2.247 55.843 58.000 0.150 0.000 1.250 686 F CB 0.814 39.977 39.000 0.271 0.000 1.110 686 F HN -0.077 nan 8.300 nan 0.000 0.570 687 P HA -0.040 nan 4.420 nan 0.000 0.262 687 P C 0.643 177.804 177.300 -0.231 0.000 1.199 687 P CA 0.227 63.167 63.100 -0.265 0.000 0.763 687 P CB 0.598 32.083 31.700 -0.360 0.000 0.790 688 L N 5.711 126.911 121.223 -0.038 0.000 1.997 688 L HA -0.273 4.066 4.340 -0.001 0.000 0.216 688 L C 2.285 179.096 176.870 -0.099 0.000 1.074 688 L CA 2.128 56.939 54.840 -0.049 0.000 0.763 688 L CB -0.787 41.176 42.059 -0.159 0.000 0.890 688 L HN 0.367 nan 8.230 nan 0.000 0.434 689 K N -0.891 119.399 120.400 -0.183 0.000 2.281 689 K HA -0.179 4.141 4.320 -0.001 0.000 0.203 689 K C 1.597 178.132 176.600 -0.109 0.000 1.046 689 K CA 1.593 57.762 56.287 -0.197 0.000 0.938 689 K CB -0.547 31.810 32.500 -0.238 0.000 0.737 689 K HN 0.410 nan 8.250 nan 0.000 0.458 690 L N 0.764 121.915 121.223 -0.120 0.000 2.612 690 L HA 0.180 4.520 4.340 -0.001 0.000 0.230 690 L C 0.370 177.385 176.870 0.241 0.000 1.140 690 L CA -0.469 54.340 54.840 -0.051 0.000 0.896 690 L CB -0.308 41.573 42.059 -0.298 0.000 1.065 690 L HN 0.133 nan 8.230 nan 0.000 0.447 691 F N 3.486 123.509 119.950 0.122 0.000 2.471 691 F HA 0.070 4.597 4.527 -0.001 0.000 0.365 691 F C 0.820 176.682 175.800 0.103 0.000 1.095 691 F CA -1.425 56.698 58.000 0.205 0.000 1.174 691 F CB 0.326 39.365 39.000 0.065 0.000 1.105 691 F HN 0.134 nan 8.300 nan 0.000 0.535 692 D N 3.246 123.487 120.400 -0.264 0.000 2.424 692 D HA 0.036 4.676 4.640 -0.001 0.000 0.244 692 D C 0.659 176.820 176.300 -0.231 0.000 1.134 692 D CA 0.150 54.035 54.000 -0.192 0.000 0.881 692 D CB 1.257 41.951 40.800 -0.177 0.000 1.191 692 D HN 0.653 nan 8.370 nan 0.000 0.445 693 T N -2.134 112.420 114.554 0.001 0.000 2.954 693 T HA -0.019 4.331 4.350 -0.001 0.000 0.252 693 T C 1.788 176.524 174.700 0.059 0.000 0.983 693 T CA 0.387 62.550 62.100 0.106 0.000 0.941 693 T CB -0.300 68.669 68.868 0.168 0.000 1.141 693 T HN 0.401 nan 8.240 nan 0.000 0.500 694 S N 2.450 118.164 115.700 0.022 0.000 2.378 694 S HA -0.145 4.325 4.470 -0.001 0.000 0.229 694 S C 1.651 176.266 174.600 0.025 0.000 1.052 694 S CA 1.500 59.713 58.200 0.021 0.000 1.084 694 S CB -1.152 62.050 63.200 0.005 0.000 0.950 694 S HN 0.456 nan 8.310 nan 0.000 0.440 695 S N 0.351 116.057 115.700 0.009 0.000 4.183 695 S HA 0.406 4.875 4.470 -0.001 0.000 0.195 695 S C -0.692 173.930 174.600 0.036 0.000 1.421 695 S CA -0.698 57.510 58.200 0.014 0.000 0.920 695 S CB -1.386 61.812 63.200 -0.004 0.000 1.525 695 S HN 0.542 nan 8.310 nan 0.000 0.447 696 c N 5.376 124.008 118.600 0.054 0.000 3.233 696 c HA 0.597 5.166 4.570 -0.001 0.000 0.299 696 c C -0.491 173.643 174.090 0.072 0.000 1.060 696 c CA -0.856 55.520 56.329 0.078 0.000 1.382 696 c CB -0.930 41.649 42.510 0.116 0.000 1.828 696 c HN 0.919 nan 8.230 nan 0.000 0.530 697 K N 0.000 120.436 120.400 0.060 0.000 2.780 697 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 697 K CA 0.000 56.319 56.287 0.053 0.000 0.838 697 K CB 0.000 32.531 32.500 0.052 0.000 1.064 697 K HN 0.000 nan 8.250 nan 0.000 0.543