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 3egd_1_A DATA FIRST_RESID 3 DATA SEQUENCE TYLEFIQQNE ERDGVRFSWN VWPSSRLEAT RMVVPVAALF TPLKERPDLP DATA SEQUENCE PIQYEPVLCS RTTCRAVLNP LCQVDYRAKL WACNFCYQRN QFPPSYAGIS DATA SEQUENCE ELNQPAELLP QFSSIEYVVL RGPQMPLIFL YVVDTCMEDE DLQALKESMQ DATA SEQUENCE MSLSLLPPTA LVGLITFGRM VQVHELGCEG ISKSYVFRGT KDLSAKQLQE DATA SEQUENCE MLGXXXXXXX XXXXXXXXXX PPPSNRFLQP VQKIDMNLTD LLGELQRDPW DATA SEQUENCE PVPQGKRPLR SSGVALSIAV GLLECTFPNT GARIMMFIGG PATQGPGMVV DATA SEQUENCE GDELKTPIRS WHDIDKDNAK YVKKGTKHFE ALANRAATTG HVIDIYACAL DATA SEQUENCE DQTGLLEMKC CPNLTGGYMV MGDSFNTSLF KQTFQRVFTK DMHGQFKMGF DATA SEQUENCE GGTLEIKTSR EIKISGAIGP CVSLNSKGPC VSENEIGTGG TCQWKICGLS DATA SEQUENCE PTTTLAIYFE VVXXXXXXXX XGGRGAIQFV TQYQHSSGQR RIRVTTIARN DATA SEQUENCE WADAQTQIQN IAASFDQEAA AILMARLAIY RAETEXXXDV LRWLDRQLIR DATA SEQUENCE LCQKFGEYHK DDPSSFRFSE TFSLYPQFMF HLRRSSFLQV FNNSPDESSY DATA SEQUENCE YRHHFMRQDL TQSLIMIQPI LYAYSFSGPP EPVLLDSSSI LADRILLMDT DATA SEQUENCE FFQILIYHGE TIAQWRKSGY QDMPEYENFR HLLQAPVDDA QEILHSRFPM DATA SEQUENCE PRYIDTEHGG SQARFLLSKV NXXXXXXXXX XXXXXXXXXX XXXDVSLQVF DATA SEQUENCE MDHLKKLAVS SA 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.650 174.700 -0.083 0.000 1.109 3 T CA 0.000 62.000 62.100 -0.167 0.000 1.349 3 T CB 0.000 68.837 68.868 -0.051 0.000 0.612 4 Y N 1.757 122.078 120.300 0.035 0.000 2.315 4 Y HA -0.089 4.458 4.550 -0.005 0.000 0.288 4 Y C 2.216 178.181 175.900 0.109 0.000 1.154 4 Y CA 0.838 58.963 58.100 0.041 0.000 1.229 4 Y CB -0.091 38.368 38.460 -0.002 0.000 0.980 4 Y HN 0.523 nan 8.280 nan 0.000 0.540 5 L N -0.283 121.057 121.223 0.195 0.000 2.068 5 L HA -0.159 4.178 4.340 -0.005 0.000 0.204 5 L C 2.171 179.108 176.870 0.112 0.000 1.076 5 L CA 1.227 56.146 54.840 0.131 0.000 0.753 5 L CB -0.418 41.690 42.059 0.082 0.000 0.910 5 L HN 0.229 nan 8.230 nan 0.000 0.439 6 E N -0.333 119.923 120.200 0.093 0.000 2.160 6 E HA -0.265 4.082 4.350 -0.005 0.000 0.195 6 E C 1.950 178.604 176.600 0.090 0.000 0.991 6 E CA 1.337 57.776 56.400 0.065 0.000 0.810 6 E CB -0.159 29.567 29.700 0.044 0.000 0.742 6 E HN 0.381 nan 8.360 nan 0.000 0.466 7 F N 1.585 121.541 119.950 0.010 0.000 2.060 7 F HA -0.200 4.324 4.527 -0.005 0.000 0.295 7 F C 2.087 177.899 175.800 0.019 0.000 1.120 7 F CA 1.166 59.176 58.000 0.017 0.000 1.205 7 F CB -0.004 39.025 39.000 0.047 0.000 0.986 7 F HN -0.106 nan 8.300 nan 0.000 0.470 8 I N 0.737 121.421 120.570 0.190 0.000 2.151 8 I HA -0.333 3.834 4.170 -0.005 0.000 0.243 8 I C 2.268 178.357 176.117 -0.047 0.000 1.080 8 I CA 1.621 62.961 61.300 0.067 0.000 1.339 8 I CB -1.598 36.459 38.000 0.094 0.000 1.039 8 I HN 0.398 nan 8.210 nan 0.000 0.409 9 Q N 0.367 120.152 119.800 -0.026 0.000 1.967 9 Q HA -0.234 4.103 4.340 -0.005 0.000 0.202 9 Q C 2.222 178.174 176.000 -0.080 0.000 0.985 9 Q CA 1.478 57.255 55.803 -0.044 0.000 0.839 9 Q CB -0.319 28.408 28.738 -0.018 0.000 0.906 9 Q HN 0.587 nan 8.270 nan 0.000 0.423 10 Q N 0.568 120.308 119.800 -0.099 0.000 2.181 10 Q HA -0.179 4.158 4.340 -0.005 0.000 0.205 10 Q C 1.619 177.525 176.000 -0.157 0.000 0.980 10 Q CA 1.435 57.170 55.803 -0.114 0.000 0.862 10 Q CB -0.198 28.473 28.738 -0.111 0.000 0.905 10 Q HN 0.377 nan 8.270 nan 0.000 0.429 11 N N 0.410 118.958 118.700 -0.254 0.000 2.270 11 N HA -0.145 4.592 4.740 -0.005 0.000 0.181 11 N C 1.529 176.970 175.510 -0.114 0.000 1.016 11 N CA 0.877 53.783 53.050 -0.240 0.000 0.870 11 N CB 0.075 38.320 38.487 -0.403 0.000 0.979 11 N HN 0.284 nan 8.380 nan 0.000 0.431 12 E N 0.927 121.068 120.200 -0.099 0.000 2.152 12 E HA -0.150 4.197 4.350 -0.005 0.000 0.192 12 E C 1.263 177.820 176.600 -0.072 0.000 0.983 12 E CA 0.857 57.212 56.400 -0.075 0.000 0.818 12 E CB 0.159 29.812 29.700 -0.078 0.000 0.758 12 E HN 0.408 nan 8.360 nan 0.000 0.467 13 E N 0.238 120.397 120.200 -0.069 0.000 2.046 13 E HA -0.142 4.205 4.350 -0.005 0.000 0.190 13 E C 2.244 178.819 176.600 -0.042 0.000 0.982 13 E CA 0.651 57.018 56.400 -0.055 0.000 0.800 13 E CB -0.022 29.649 29.700 -0.047 0.000 0.756 13 E HN 0.108 nan 8.360 nan 0.000 0.449 14 R N 0.678 121.155 120.500 -0.039 0.000 2.057 14 R HA -0.101 4.236 4.340 -0.005 0.000 0.229 14 R C 0.711 177.015 176.300 0.007 0.000 1.136 14 R CA 1.511 57.604 56.100 -0.011 0.000 0.952 14 R CB 0.231 30.523 30.300 -0.012 0.000 0.848 14 R HN 0.067 nan 8.270 nan 0.000 0.430 15 D N -0.924 119.480 120.400 0.006 0.000 2.402 15 D HA 0.120 4.757 4.640 -0.005 0.000 0.216 15 D C 0.223 176.542 176.300 0.032 0.000 1.128 15 D CA 0.560 54.590 54.000 0.050 0.000 0.833 15 D CB 0.868 41.723 40.800 0.092 0.000 0.971 15 D HN 0.495 nan 8.370 nan 0.000 0.503 16 G N 1.598 110.376 108.800 -0.035 0.000 2.421 16 G HA2 -0.235 3.722 3.960 -0.005 0.000 0.300 16 G HA3 -0.235 3.722 3.960 -0.005 0.000 0.300 16 G C 0.068 174.917 174.900 -0.084 0.000 0.974 16 G CA 0.695 45.735 45.100 -0.100 0.000 1.062 16 G HN 0.349 nan 8.290 nan 0.000 0.514 17 V N -0.353 119.543 119.914 -0.030 0.000 3.007 17 V HA 0.898 5.015 4.120 -0.005 0.000 0.311 17 V C -0.328 175.751 176.094 -0.026 0.000 1.120 17 V CA -1.248 61.033 62.300 -0.031 0.000 0.980 17 V CB 2.094 33.949 31.823 0.053 0.000 1.033 17 V HN 0.427 nan 8.190 nan 0.000 0.429 18 R N 4.729 125.163 120.500 -0.110 0.000 2.631 18 R HA 0.388 4.725 4.340 -0.005 0.000 0.289 18 R C -1.706 174.544 176.300 -0.084 0.000 1.303 18 R CA -0.342 55.732 56.100 -0.042 0.000 0.989 18 R CB 1.514 31.753 30.300 -0.100 0.000 1.208 18 R HN 0.560 nan 8.270 nan 0.000 0.461 19 F N 0.493 120.462 119.950 0.032 0.000 2.380 19 F HA 0.071 4.595 4.527 -0.005 0.000 0.325 19 F C 2.024 177.809 175.800 -0.025 0.000 1.136 19 F CA 0.122 58.176 58.000 0.089 0.000 1.171 19 F CB 1.248 40.406 39.000 0.262 0.000 1.230 19 F HN 0.467 nan 8.300 nan 0.000 0.554 20 S N -0.403 115.392 115.700 0.157 0.000 2.428 20 S HA -0.053 4.414 4.470 -0.005 0.000 0.230 20 S C -0.437 173.953 174.600 -0.350 0.000 1.014 20 S CA 0.301 58.384 58.200 -0.195 0.000 0.957 20 S CB -0.339 62.809 63.200 -0.086 0.000 0.784 20 S HN 0.552 nan 8.310 nan 0.000 0.499 21 W N 0.558 122.038 121.300 0.301 0.000 3.259 21 W HA 0.566 5.223 4.660 -0.005 0.000 0.331 21 W C 0.044 176.730 176.519 0.279 0.000 1.144 21 W CA -0.911 56.606 57.345 0.285 0.000 1.227 21 W CB 1.048 30.726 29.460 0.363 0.000 1.371 21 W HN -0.186 nan 8.180 nan 0.000 0.491 22 N N 1.014 119.865 118.700 0.251 0.000 2.280 22 N HA 0.098 4.835 4.740 -0.005 0.000 0.192 22 N C -0.564 174.684 175.510 -0.436 0.000 1.109 22 N CA 0.397 53.391 53.050 -0.092 0.000 0.855 22 N CB 1.168 39.648 38.487 -0.012 0.000 0.974 22 N HN 0.070 nan 8.380 nan 0.000 0.482 23 V N 1.542 121.338 119.914 -0.196 0.000 2.540 23 V HA 0.370 4.487 4.120 -0.005 0.000 0.302 23 V C -0.930 175.185 176.094 0.035 0.000 1.035 23 V CA -0.811 61.338 62.300 -0.251 0.000 0.873 23 V CB 2.174 33.940 31.823 -0.094 0.000 0.992 23 V HN 0.077 nan 8.190 nan 0.000 0.428 24 W N 4.491 125.776 121.300 -0.025 0.000 2.639 24 W HA 0.497 5.154 4.660 -0.004 0.000 0.347 24 W C -2.357 174.276 176.519 0.190 0.000 1.067 24 W CA -3.145 54.230 57.345 0.050 0.000 1.218 24 W CB 0.788 30.236 29.460 -0.020 0.000 1.393 24 W HN 0.268 nan 8.180 nan 0.000 0.557 25 P HA -0.017 nan 4.420 nan 0.000 0.264 25 P C 0.512 177.992 177.300 0.301 0.000 1.193 25 P CA 0.459 63.700 63.100 0.235 0.000 0.763 25 P CB 0.836 32.610 31.700 0.124 0.000 0.810 26 S N 0.740 116.537 115.700 0.162 0.000 2.554 26 S HA 0.178 4.645 4.470 -0.005 0.000 0.226 26 S C 0.510 175.059 174.600 -0.086 0.000 0.980 26 S CA -0.308 57.884 58.200 -0.014 0.000 0.939 26 S CB -0.395 62.814 63.200 0.014 0.000 0.832 26 S HN 0.574 nan 8.310 nan 0.000 0.486 27 S N 0.522 116.208 115.700 -0.023 0.000 2.536 27 S HA 0.546 5.013 4.470 -0.005 0.000 0.287 27 S C 0.302 174.894 174.600 -0.013 0.000 1.101 27 S CA -0.983 57.198 58.200 -0.032 0.000 0.950 27 S CB 2.064 65.253 63.200 -0.018 0.000 1.056 27 S HN 0.231 nan 8.310 nan 0.000 0.481 28 R N 1.148 121.636 120.500 -0.019 0.000 2.159 28 R HA -0.000 4.337 4.340 -0.005 0.000 0.237 28 R C 1.211 177.516 176.300 0.008 0.000 1.131 28 R CA 1.417 57.515 56.100 -0.002 0.000 0.982 28 R CB -0.600 29.696 30.300 -0.007 0.000 0.868 28 R HN 0.848 nan 8.270 nan 0.000 0.453 29 L N -0.246 120.979 121.223 0.002 0.000 2.109 29 L HA -0.053 4.284 4.340 -0.005 0.000 0.207 29 L C 2.215 179.089 176.870 0.008 0.000 1.086 29 L CA 1.003 55.846 54.840 0.005 0.000 0.760 29 L CB -0.245 41.813 42.059 -0.003 0.000 0.910 29 L HN 0.148 nan 8.230 nan 0.000 0.437 30 E N 0.224 120.429 120.200 0.007 0.000 2.190 30 E HA -0.004 4.343 4.350 -0.005 0.000 0.191 30 E C 2.162 178.771 176.600 0.014 0.000 0.978 30 E CA 0.938 57.341 56.400 0.005 0.000 0.839 30 E CB 0.035 29.737 29.700 0.003 0.000 0.787 30 E HN 0.309 nan 8.360 nan 0.000 0.473 31 A N -0.265 122.573 122.820 0.030 0.000 1.883 31 A HA -0.185 4.132 4.320 -0.005 0.000 0.217 31 A C 2.332 179.948 177.584 0.054 0.000 1.186 31 A CA 2.157 54.221 52.037 0.046 0.000 0.624 31 A CB -1.019 18.017 19.000 0.060 0.000 0.822 31 A HN 0.308 nan 8.150 nan 0.000 0.444 32 T N -0.327 114.257 114.554 0.050 0.000 2.962 32 T HA -0.041 4.306 4.350 -0.005 0.000 0.270 32 T C 1.500 176.241 174.700 0.068 0.000 1.088 32 T CA 1.034 63.171 62.100 0.061 0.000 1.127 32 T CB -0.163 68.734 68.868 0.048 0.000 0.883 32 T HN 0.450 nan 8.240 nan 0.000 0.493 33 R N 0.252 120.783 120.500 0.052 0.000 2.480 33 R HA 0.308 4.646 4.340 -0.005 0.000 0.277 33 R C -0.216 176.131 176.300 0.077 0.000 1.008 33 R CA -0.265 55.868 56.100 0.056 0.000 1.090 33 R CB -0.157 30.157 30.300 0.024 0.000 1.234 33 R HN 0.247 nan 8.270 nan 0.000 0.549 34 M N 1.152 120.806 119.600 0.090 0.000 2.266 34 M HA 0.020 4.497 4.480 -0.005 0.000 0.340 34 M C 1.078 177.510 176.300 0.220 0.000 1.486 34 M CA -0.039 55.328 55.300 0.111 0.000 1.209 34 M CB 0.992 33.641 32.600 0.082 0.000 1.714 34 M HN -0.148 nan 8.290 nan 0.000 0.459 35 V N 4.503 124.589 119.914 0.287 0.000 2.343 35 V HA -0.117 4.000 4.120 -0.005 0.000 0.247 35 V C 0.598 176.901 176.094 0.349 0.000 1.051 35 V CA 0.987 63.468 62.300 0.301 0.000 1.036 35 V CB -0.426 31.596 31.823 0.332 0.000 0.654 35 V HN 0.621 nan 8.190 nan 0.000 0.451 36 V N 2.581 122.791 119.914 0.494 0.000 2.417 36 V HA 0.359 4.476 4.120 -0.005 0.000 0.291 36 V C -2.225 174.246 176.094 0.628 0.000 1.024 36 V CA -1.883 60.737 62.300 0.533 0.000 0.861 36 V CB 1.706 33.843 31.823 0.522 0.000 0.985 36 V HN 0.267 nan 8.190 nan 0.000 0.436 37 P HA 0.047 nan 4.420 nan 0.000 0.267 37 P C -0.241 177.352 177.300 0.489 0.000 1.200 37 P CA 0.073 63.443 63.100 0.449 0.000 0.772 37 P CB 0.865 32.834 31.700 0.449 0.000 0.855 38 V N 2.619 122.777 119.914 0.407 0.000 2.409 38 V HA 0.280 4.397 4.120 -0.005 0.000 0.270 38 V C 0.962 177.283 176.094 0.379 0.000 1.019 38 V CA 0.841 63.391 62.300 0.415 0.000 1.066 38 V CB -0.795 31.077 31.823 0.082 0.000 1.021 38 V HN 0.830 nan 8.190 nan 0.000 0.476 39 A N 4.792 127.800 122.820 0.314 0.000 2.532 39 A HA 1.032 5.349 4.320 -0.005 0.000 0.290 39 A C -0.498 177.041 177.584 -0.075 0.000 1.143 39 A CA -0.233 51.810 52.037 0.010 0.000 0.728 39 A CB 2.065 20.809 19.000 -0.426 0.000 1.317 39 A HN 1.289 nan 8.150 nan 0.000 0.414 40 A N -0.153 122.480 122.820 -0.311 0.000 2.475 40 A HA 0.695 5.012 4.320 -0.005 0.000 0.301 40 A C -1.830 175.514 177.584 -0.401 0.000 1.059 40 A CA -0.421 51.286 52.037 -0.550 0.000 0.710 40 A CB 1.244 19.677 19.000 -0.945 0.000 1.288 40 A HN 1.012 nan 8.150 nan 0.000 0.408 41 L N 2.107 123.118 121.223 -0.354 0.000 2.264 41 L HA 0.533 4.870 4.340 -0.005 0.000 0.287 41 L C -1.047 175.683 176.870 -0.232 0.000 1.039 41 L CA -0.319 54.350 54.840 -0.284 0.000 0.829 41 L CB 0.323 42.221 42.059 -0.268 0.000 1.211 41 L HN 0.595 nan 8.230 nan 0.000 0.427 42 F N 3.078 122.775 119.950 -0.422 0.000 2.427 42 F HA 0.512 5.035 4.527 -0.006 0.000 0.346 42 F C 0.219 175.793 175.800 -0.376 0.000 1.120 42 F CA -0.478 57.232 58.000 -0.485 0.000 1.033 42 F CB 1.472 40.079 39.000 -0.656 0.000 1.126 42 F HN 0.360 nan 8.300 nan 0.000 0.462 43 T N 9.048 123.046 114.554 -0.926 0.000 3.253 43 T HA 0.196 4.543 4.350 -0.005 0.000 0.391 43 T C -1.680 172.382 174.700 -1.064 0.000 1.527 43 T CA -1.013 60.600 62.100 -0.812 0.000 1.268 43 T CB 0.757 69.353 68.868 -0.454 0.000 1.126 43 T HN 0.439 nan 8.240 nan 0.000 0.620 44 P HA -0.105 nan 4.420 nan 0.000 0.218 44 P C 0.510 177.557 177.300 -0.421 0.000 1.147 44 P CA 1.159 63.694 63.100 -0.942 0.000 0.827 44 P CB 0.283 31.655 31.700 -0.547 0.000 0.778 45 L N -1.669 119.315 121.223 -0.398 0.000 3.255 45 L HA 0.314 4.651 4.340 -0.005 0.000 0.293 45 L C 0.812 177.553 176.870 -0.215 0.000 1.302 45 L CA -0.689 53.990 54.840 -0.268 0.000 0.977 45 L CB 0.175 42.035 42.059 -0.333 0.000 1.390 45 L HN -0.158 nan 8.230 nan 0.000 0.588 46 K N 1.638 121.903 120.400 -0.225 0.000 2.436 46 K HA 0.101 4.418 4.320 -0.005 0.000 0.275 46 K C 0.096 176.632 176.600 -0.107 0.000 0.999 46 K CA 0.115 56.299 56.287 -0.171 0.000 0.980 46 K CB 0.760 33.155 32.500 -0.176 0.000 0.919 46 K HN 0.194 nan 8.250 nan 0.000 0.484 47 E N 2.668 122.817 120.200 -0.084 0.000 2.318 47 E HA 0.250 4.597 4.350 -0.005 0.000 0.265 47 E C -0.114 176.461 176.600 -0.042 0.000 1.069 47 E CA -0.406 55.964 56.400 -0.051 0.000 0.893 47 E CB 1.353 31.029 29.700 -0.039 0.000 1.076 47 E HN 0.615 nan 8.360 nan 0.000 0.414 48 R N 0.458 120.942 120.500 -0.028 0.000 3.619 48 R HA 0.326 4.663 4.340 -0.005 0.000 0.259 48 R C -2.309 173.984 176.300 -0.012 0.000 1.069 48 R CA -0.940 55.147 56.100 -0.022 0.000 0.900 48 R CB -0.562 29.725 30.300 -0.022 0.000 1.600 48 R HN 0.272 nan 8.270 nan 0.000 0.410 49 P HA 0.100 nan 4.420 nan 0.000 0.271 49 P C -1.009 176.293 177.300 0.003 0.000 1.535 49 P CA 0.371 63.473 63.100 0.003 0.000 0.820 49 P CB -0.387 31.322 31.700 0.015 0.000 1.606 50 D N -0.764 119.633 120.400 -0.006 0.000 2.739 50 D HA -0.135 4.502 4.640 -0.005 0.000 0.240 50 D C 0.179 176.459 176.300 -0.033 0.000 1.114 50 D CA 0.418 54.413 54.000 -0.009 0.000 0.695 50 D CB -1.616 39.185 40.800 0.002 0.000 1.078 50 D HN 0.378 nan 8.370 nan 0.000 0.434 51 L N 0.924 122.107 121.223 -0.066 0.000 2.514 51 L HA 0.088 4.425 4.340 -0.005 0.000 0.280 51 L C -0.989 175.761 176.870 -0.201 0.000 1.223 51 L CA -0.720 54.026 54.840 -0.158 0.000 0.864 51 L CB -0.070 41.861 42.059 -0.214 0.000 1.118 51 L HN -0.065 nan 8.230 nan 0.000 0.494 52 P HA 0.185 nan 4.420 nan 0.000 0.282 52 P C -2.513 174.607 177.300 -0.300 0.000 1.274 52 P CA -1.282 61.678 63.100 -0.233 0.000 0.770 52 P CB 0.389 31.977 31.700 -0.187 0.000 0.867 53 P HA 0.188 nan 4.420 nan 0.000 0.271 53 P C -0.197 176.935 177.300 -0.280 0.000 1.216 53 P CA -0.089 62.861 63.100 -0.250 0.000 0.771 53 P CB 0.811 32.398 31.700 -0.189 0.000 0.864 54 I N 3.803 124.145 120.570 -0.380 0.000 2.301 54 I HA 0.139 4.306 4.170 -0.005 0.000 0.292 54 I C 1.515 177.436 176.117 -0.327 0.000 1.046 54 I CA 0.027 61.033 61.300 -0.490 0.000 1.282 54 I CB 0.587 38.111 38.000 -0.793 0.000 1.409 54 I HN 0.425 nan 8.210 nan 0.000 0.484 55 Q N 4.962 124.619 119.800 -0.238 0.000 2.320 55 Q HA 0.016 4.353 4.340 -0.005 0.000 0.201 55 Q C -0.714 175.292 176.000 0.010 0.000 0.910 55 Q CA 0.227 55.977 55.803 -0.088 0.000 0.946 55 Q CB 0.294 29.008 28.738 -0.039 0.000 1.062 55 Q HN 0.658 nan 8.270 nan 0.000 0.503 56 Y N -1.876 118.500 120.300 0.127 0.000 2.420 56 Y HA 0.567 5.114 4.550 -0.005 0.000 0.334 56 Y C -0.145 175.861 175.900 0.176 0.000 1.094 56 Y CA -2.441 55.746 58.100 0.146 0.000 1.126 56 Y CB 0.505 39.070 38.460 0.174 0.000 1.217 56 Y HN -0.242 nan 8.280 nan 0.000 0.462 57 E N 4.820 125.230 120.200 0.349 0.000 2.534 57 E HA -0.012 4.335 4.350 -0.005 0.000 0.264 57 E C -1.617 175.089 176.600 0.177 0.000 0.981 57 E CA -1.162 55.334 56.400 0.159 0.000 0.948 57 E CB 0.554 30.309 29.700 0.091 0.000 0.934 57 E HN 0.579 nan 8.360 nan 0.000 0.459 58 P HA -0.149 nan 4.420 nan 0.000 0.218 58 P C -0.511 176.671 177.300 -0.197 0.000 1.148 58 P CA 0.872 63.505 63.100 -0.779 0.000 0.822 58 P CB 0.182 31.035 31.700 -1.413 0.000 0.784 59 V N -1.571 118.247 119.914 -0.160 0.000 3.316 59 V HA -0.159 3.958 4.120 -0.005 0.000 0.442 59 V C 0.148 176.180 176.094 -0.103 0.000 0.680 59 V CA 0.006 62.194 62.300 -0.187 0.000 1.944 59 V CB -1.922 29.681 31.823 -0.366 0.000 2.411 59 V HN 0.047 nan 8.190 nan 0.000 0.490 60 L N 3.177 124.403 121.223 0.005 0.000 2.416 60 L HA 0.615 4.952 4.340 -0.005 0.000 0.262 60 L C 0.935 177.980 176.870 0.291 0.000 1.093 60 L CA -0.240 54.663 54.840 0.105 0.000 0.801 60 L CB 1.510 43.587 42.059 0.030 0.000 1.191 60 L HN 0.755 nan 8.230 nan 0.000 0.459 61 C N 1.069 120.548 119.300 0.298 0.000 2.657 61 C HA 0.257 4.714 4.460 -0.005 0.000 0.404 61 C C 1.094 176.074 174.990 -0.016 0.000 1.291 61 C CA -0.729 58.367 59.018 0.131 0.000 2.218 61 C CB 0.413 28.191 27.740 0.064 0.000 2.687 61 C HN 0.832 nan 8.230 nan 0.000 0.634 62 S N 4.676 120.291 115.700 -0.142 0.000 3.170 62 S HA 0.454 4.921 4.470 -0.005 0.000 0.257 62 S C -0.332 174.208 174.600 -0.101 0.000 1.284 62 S CA -0.474 57.660 58.200 -0.109 0.000 0.973 62 S CB -0.256 62.859 63.200 -0.141 0.000 1.330 62 S HN 0.899 nan 8.310 nan 0.000 0.493 63 R N 1.895 122.358 120.500 -0.062 0.000 3.172 63 R HA 0.144 4.481 4.340 -0.005 0.000 0.259 63 R C 0.472 176.754 176.300 -0.030 0.000 1.618 63 R CA 0.097 56.169 56.100 -0.047 0.000 1.047 63 R CB -0.418 29.855 30.300 -0.044 0.000 1.438 63 R HN 0.463 nan 8.270 nan 0.000 0.427 64 T N 0.484 115.021 114.554 -0.028 0.000 2.453 64 T HA -0.400 3.947 4.350 -0.005 0.000 0.218 64 T C 1.689 176.375 174.700 -0.022 0.000 1.437 64 T CA 3.033 65.119 62.100 -0.023 0.000 1.049 64 T CB -0.808 68.047 68.868 -0.021 0.000 0.804 64 T HN 0.800 nan 8.240 nan 0.000 0.463 65 T N -0.560 113.983 114.554 -0.019 0.000 2.777 65 T HA -0.121 4.226 4.350 -0.005 0.000 0.266 65 T C 2.249 176.935 174.700 -0.023 0.000 1.040 65 T CA 1.398 63.487 62.100 -0.018 0.000 1.141 65 T CB -1.200 67.663 68.868 -0.008 0.000 0.868 65 T HN 0.629 nan 8.240 nan 0.000 0.444 66 C N 1.504 120.794 119.300 -0.017 0.000 3.688 66 C HA 0.273 4.730 4.460 -0.005 0.000 0.294 66 C C 1.752 176.718 174.990 -0.040 0.000 1.278 66 C CA 0.592 59.595 59.018 -0.024 0.000 1.778 66 C CB -1.094 26.651 27.740 0.007 0.000 2.148 66 C HN 0.749 nan 8.230 nan 0.000 0.473 67 R N -0.147 120.342 120.500 -0.017 0.000 3.525 67 R HA -0.181 4.156 4.340 -0.005 0.000 0.276 67 R C 0.120 176.421 176.300 0.001 0.000 1.116 67 R CA 0.202 56.301 56.100 -0.003 0.000 0.745 67 R CB -1.924 28.365 30.300 -0.017 0.000 1.185 67 R HN 0.745 nan 8.270 nan 0.000 0.454 68 A N 0.214 123.042 122.820 0.012 0.000 2.366 68 A HA 0.451 4.768 4.320 -0.005 0.000 0.249 68 A C 0.728 178.388 177.584 0.125 0.000 1.084 68 A CA -0.262 51.771 52.037 -0.006 0.000 0.794 68 A CB 0.664 19.655 19.000 -0.015 0.000 1.034 68 A HN 0.104 nan 8.150 nan 0.000 0.491 69 V N 2.248 122.221 119.914 0.098 0.000 2.546 69 V HA 0.191 4.308 4.120 -0.005 0.000 0.284 69 V C 0.438 176.598 176.094 0.111 0.000 1.050 69 V CA -0.522 61.832 62.300 0.090 0.000 0.981 69 V CB 1.054 32.919 31.823 0.070 0.000 0.990 69 V HN 0.828 nan 8.190 nan 0.000 0.474 70 L N 5.892 127.060 121.223 -0.091 0.000 2.601 70 L HA 0.146 4.483 4.340 -0.005 0.000 0.277 70 L C 0.117 176.996 176.870 0.015 0.000 1.219 70 L CA 0.934 55.589 54.840 -0.309 0.000 0.915 70 L CB -0.380 41.250 42.059 -0.714 0.000 1.160 70 L HN 1.036 nan 8.230 nan 0.000 0.494 71 N N 2.771 121.521 118.700 0.084 0.000 2.902 71 N HA 0.611 5.348 4.740 -0.005 0.000 0.268 71 N C -2.637 172.952 175.510 0.131 0.000 1.450 71 N CA -1.505 51.635 53.050 0.150 0.000 0.819 71 N CB 0.915 39.522 38.487 0.200 0.000 1.540 71 N HN 0.134 nan 8.380 nan 0.000 0.545 72 P HA 0.004 nan 4.420 nan 0.000 0.219 72 P C 0.819 178.168 177.300 0.081 0.000 1.146 72 P CA 1.027 64.186 63.100 0.099 0.000 0.808 72 P CB 0.184 31.933 31.700 0.083 0.000 0.779 73 L N -2.213 119.052 121.223 0.070 0.000 2.395 73 L HA -0.024 4.313 4.340 -0.005 0.000 0.218 73 L C 0.836 177.733 176.870 0.045 0.000 1.130 73 L CA 0.061 54.916 54.840 0.026 0.000 0.826 73 L CB -0.663 41.371 42.059 -0.041 0.000 0.941 73 L HN -0.046 nan 8.230 nan 0.000 0.451 74 C N 1.036 120.402 119.300 0.110 0.000 2.662 74 C HA 0.078 4.535 4.460 -0.005 0.000 0.420 74 C C 0.809 175.906 174.990 0.177 0.000 1.314 74 C CA -0.690 58.434 59.018 0.177 0.000 1.963 74 C CB 0.008 27.924 27.740 0.294 0.000 2.686 74 C HN 0.356 nan 8.230 nan 0.000 0.609 75 Q N 1.979 121.885 119.800 0.176 0.000 2.337 75 Q HA 0.430 4.767 4.340 -0.005 0.000 0.255 75 Q C -0.459 175.682 176.000 0.235 0.000 0.997 75 Q CA -0.188 55.717 55.803 0.171 0.000 0.925 75 Q CB 0.793 29.607 28.738 0.126 0.000 1.212 75 Q HN 0.577 nan 8.270 nan 0.000 0.436 76 V N 1.726 121.794 119.914 0.257 0.000 2.834 76 V HA 0.309 4.426 4.120 -0.005 0.000 0.313 76 V C -0.294 175.965 176.094 0.274 0.000 1.060 76 V CA -0.595 61.879 62.300 0.290 0.000 0.989 76 V CB 1.912 33.886 31.823 0.252 0.000 1.041 76 V HN 0.710 nan 8.190 nan 0.000 0.459 77 D N 0.036 120.580 120.400 0.241 0.000 2.364 77 D HA 0.297 4.934 4.640 -0.005 0.000 0.251 77 D C 0.099 176.520 176.300 0.202 0.000 1.282 77 D CA -0.422 53.724 54.000 0.243 0.000 0.927 77 D CB 0.512 41.422 40.800 0.184 0.000 1.267 77 D HN 0.377 nan 8.370 nan 0.000 0.531 78 Y N 1.412 121.774 120.300 0.104 0.000 2.365 78 Y HA -0.104 4.444 4.550 -0.005 0.000 0.287 78 Y C 2.452 178.382 175.900 0.050 0.000 1.162 78 Y CA 1.057 59.186 58.100 0.049 0.000 1.260 78 Y CB -0.186 38.278 38.460 0.007 0.000 0.976 78 Y HN 0.377 nan 8.280 nan 0.000 0.548 79 R N 0.169 120.790 120.500 0.202 0.000 2.075 79 R HA 0.033 4.370 4.340 -0.005 0.000 0.226 79 R C 1.779 178.144 176.300 0.109 0.000 1.114 79 R CA 1.068 57.247 56.100 0.131 0.000 0.972 79 R CB -0.232 30.133 30.300 0.108 0.000 0.869 79 R HN 0.197 nan 8.270 nan 0.000 0.437 80 A N 0.790 123.682 122.820 0.120 0.000 2.379 80 A HA 0.171 4.488 4.320 -0.005 0.000 0.236 80 A C -0.265 177.407 177.584 0.146 0.000 1.272 80 A CA -0.274 51.830 52.037 0.111 0.000 0.886 80 A CB 0.268 19.326 19.000 0.097 0.000 0.962 80 A HN 0.228 nan 8.150 nan 0.000 0.504 81 K N -0.409 120.093 120.400 0.169 0.000 3.177 81 K HA -0.187 4.130 4.320 -0.005 0.000 0.266 81 K C -0.543 176.348 176.600 0.486 0.000 0.937 81 K CA 0.896 57.355 56.287 0.286 0.000 0.702 81 K CB -2.252 30.384 32.500 0.227 0.000 1.365 81 K HN 0.593 nan 8.250 nan 0.000 0.466 82 L N -0.064 121.397 121.223 0.396 0.000 2.371 82 L HA 0.671 5.008 4.340 -0.005 0.000 0.262 82 L C -0.120 176.934 176.870 0.307 0.000 1.006 82 L CA -1.031 53.947 54.840 0.231 0.000 0.818 82 L CB 2.070 44.180 42.059 0.084 0.000 1.354 82 L HN 0.270 nan 8.230 nan 0.000 0.415 83 W N 1.226 122.430 121.300 -0.159 0.000 3.032 83 W HA 0.831 5.488 4.660 -0.006 0.000 0.335 83 W C -1.476 174.993 176.519 -0.085 0.000 1.154 83 W CA -1.521 55.763 57.345 -0.102 0.000 1.204 83 W CB 1.503 30.844 29.460 -0.197 0.000 1.416 83 W HN 0.553 nan 8.180 nan 0.000 0.521 84 A N 2.779 125.662 122.820 0.104 0.000 2.288 84 A HA 0.495 4.812 4.320 -0.005 0.000 0.320 84 A C -0.315 177.293 177.584 0.041 0.000 1.217 84 A CA -0.477 51.535 52.037 -0.041 0.000 0.840 84 A CB 0.601 19.622 19.000 0.035 0.000 1.179 84 A HN 0.856 nan 8.150 nan 0.000 0.504 85 C N 4.345 123.576 119.300 -0.116 0.000 2.648 85 C HA 0.137 4.594 4.460 -0.005 0.000 0.415 85 C C 1.621 176.590 174.990 -0.036 0.000 1.366 85 C CA -0.058 58.992 59.018 0.053 0.000 1.756 85 C CB -0.785 26.944 27.740 -0.018 0.000 2.549 85 C HN 0.897 nan 8.230 nan 0.000 0.597 86 N N 3.693 122.376 118.700 -0.029 0.000 2.521 86 N HA -0.069 4.668 4.740 -0.005 0.000 0.188 86 N C 0.835 176.033 175.510 -0.520 0.000 1.146 86 N CA 0.920 53.782 53.050 -0.312 0.000 0.893 86 N CB -0.156 38.152 38.487 -0.299 0.000 0.975 86 N HN 0.783 nan 8.380 nan 0.000 0.451 87 F N 0.592 120.447 119.950 -0.159 0.000 2.453 87 F HA 0.162 4.686 4.527 -0.004 0.000 0.284 87 F C 2.180 177.924 175.800 -0.093 0.000 1.065 87 F CA 0.195 58.133 58.000 -0.104 0.000 1.411 87 F CB 0.097 39.089 39.000 -0.013 0.000 1.131 87 F HN 0.248 nan 8.300 nan 0.000 0.582 88 C N -2.911 116.462 119.300 0.121 0.000 3.243 88 C HA 0.380 4.837 4.460 -0.005 0.000 0.286 88 C C 0.638 175.786 174.990 0.265 0.000 1.373 88 C CA -0.714 58.415 59.018 0.184 0.000 1.749 88 C CB -1.592 26.225 27.740 0.128 0.000 2.313 88 C HN 0.647 nan 8.230 nan 0.000 0.644 89 Y N -0.491 119.824 120.300 0.026 0.000 4.893 89 Y HA -0.284 4.263 4.550 -0.005 0.000 0.257 89 Y C 0.958 176.816 175.900 -0.069 0.000 0.958 89 Y CA 1.417 59.509 58.100 -0.013 0.000 1.897 89 Y CB -2.057 36.399 38.460 -0.007 0.000 1.352 89 Y HN 0.620 nan 8.280 nan 0.000 0.499 90 Q N 2.688 122.500 119.800 0.021 0.000 2.283 90 Q HA 0.101 4.438 4.340 -0.005 0.000 0.301 90 Q C 0.031 175.883 176.000 -0.247 0.000 1.063 90 Q CA 0.331 56.073 55.803 -0.101 0.000 0.952 90 Q CB 0.567 29.222 28.738 -0.138 0.000 1.166 90 Q HN 0.141 nan 8.270 nan 0.000 0.381 91 R N 4.296 124.662 120.500 -0.224 0.000 2.390 91 R HA 0.353 4.690 4.340 -0.005 0.000 0.291 91 R C -0.489 175.526 176.300 -0.475 0.000 1.070 91 R CA -0.295 55.623 56.100 -0.304 0.000 1.014 91 R CB 0.499 30.703 30.300 -0.160 0.000 1.007 91 R HN 0.735 nan 8.270 nan 0.000 0.466 92 N N 1.853 120.083 118.700 -0.783 0.000 2.240 92 N HA 0.130 4.867 4.740 -0.005 0.000 0.302 92 N C -0.786 174.384 175.510 -0.568 0.000 1.106 92 N CA -0.677 51.840 53.050 -0.888 0.000 0.778 92 N CB 2.672 40.092 38.487 -1.778 0.000 1.431 92 N HN 0.416 nan 8.380 nan 0.000 0.479 93 Q N 1.140 120.773 119.800 -0.278 0.000 2.230 93 Q HA 0.344 4.681 4.340 -0.005 0.000 0.248 93 Q C -0.944 175.030 176.000 -0.043 0.000 0.915 93 Q CA -0.419 55.332 55.803 -0.086 0.000 0.900 93 Q CB 0.838 29.562 28.738 -0.023 0.000 1.229 93 Q HN 0.383 nan 8.270 nan 0.000 0.439 94 F N 3.375 123.417 119.950 0.154 0.000 2.382 94 F HA 0.318 4.842 4.527 -0.005 0.000 0.331 94 F C -1.483 174.332 175.800 0.025 0.000 1.121 94 F CA -1.452 56.606 58.000 0.097 0.000 1.183 94 F CB 0.598 39.656 39.000 0.096 0.000 1.207 94 F HN 0.490 nan 8.300 nan 0.000 0.555 95 P HA 0.051 nan 4.420 nan 0.000 0.272 95 P C -2.234 175.161 177.300 0.158 0.000 1.223 95 P CA -1.228 61.914 63.100 0.069 0.000 0.784 95 P CB 0.517 32.187 31.700 -0.050 0.000 0.923 96 P HA -0.219 nan 4.420 nan 0.000 0.216 96 P C 1.519 178.894 177.300 0.125 0.000 1.154 96 P CA 1.950 65.116 63.100 0.110 0.000 0.865 96 P CB -0.461 31.284 31.700 0.075 0.000 0.789 97 S N -2.402 113.389 115.700 0.150 0.000 2.500 97 S HA -0.143 4.324 4.470 -0.005 0.000 0.239 97 S C 1.482 176.161 174.600 0.131 0.000 0.989 97 S CA 0.537 58.816 58.200 0.132 0.000 0.951 97 S CB -1.224 62.062 63.200 0.143 0.000 0.759 97 S HN 0.072 nan 8.310 nan 0.000 0.523 98 Y N 1.089 121.359 120.300 -0.051 0.000 2.468 98 Y HA 0.604 5.151 4.550 -0.005 0.000 0.268 98 Y C 2.221 178.044 175.900 -0.128 0.000 1.177 98 Y CA -0.887 57.141 58.100 -0.121 0.000 1.265 98 Y CB -0.577 37.845 38.460 -0.064 0.000 1.103 98 Y HN 0.368 nan 8.280 nan 0.000 0.522 99 A N -0.133 122.726 122.820 0.065 0.000 1.933 99 A HA -0.119 4.198 4.320 -0.005 0.000 0.218 99 A C 2.471 180.038 177.584 -0.028 0.000 1.175 99 A CA 1.723 53.777 52.037 0.029 0.000 0.628 99 A CB -1.070 17.956 19.000 0.043 0.000 0.814 99 A HN 0.444 nan 8.150 nan 0.000 0.444 100 G N -0.899 107.866 108.800 -0.058 0.000 2.776 100 G HA2 0.200 4.157 3.960 -0.005 0.000 0.209 100 G HA3 0.200 4.157 3.960 -0.005 0.000 0.209 100 G C 0.585 175.429 174.900 -0.094 0.000 1.145 100 G CA -0.185 44.876 45.100 -0.065 0.000 0.791 100 G HN 0.515 nan 8.290 nan 0.000 0.530 101 I N 2.119 122.596 120.570 -0.155 0.000 2.919 101 I HA 0.071 4.238 4.170 -0.005 0.000 0.303 101 I C 0.380 176.485 176.117 -0.021 0.000 1.221 101 I CA 0.638 61.820 61.300 -0.196 0.000 1.444 101 I CB 0.558 38.291 38.000 -0.445 0.000 1.331 101 I HN 0.250 nan 8.210 nan 0.000 0.572 102 S N 5.095 120.863 115.700 0.112 0.000 2.547 102 S HA 0.304 4.771 4.470 -0.005 0.000 0.270 102 S C 0.266 174.937 174.600 0.118 0.000 1.150 102 S CA -0.963 57.344 58.200 0.178 0.000 0.850 102 S CB 1.657 64.878 63.200 0.036 0.000 1.118 102 S HN 0.649 nan 8.310 nan 0.000 0.461 103 E N 0.798 120.892 120.200 -0.178 0.000 2.118 103 E HA -0.070 4.277 4.350 -0.005 0.000 0.195 103 E C 1.076 177.520 176.600 -0.259 0.000 0.992 103 E CA 1.259 57.328 56.400 -0.552 0.000 0.804 103 E CB -0.249 29.179 29.700 -0.453 0.000 0.741 103 E HN 0.657 nan 8.360 nan 0.000 0.458 104 L N 0.553 121.696 121.223 -0.134 0.000 2.645 104 L HA 0.103 4.440 4.340 -0.005 0.000 0.234 104 L C -0.123 176.713 176.870 -0.056 0.000 1.165 104 L CA -0.016 54.771 54.840 -0.088 0.000 0.944 104 L CB -0.081 41.939 42.059 -0.065 0.000 1.149 104 L HN -0.060 nan 8.230 nan 0.000 0.446 105 N N 0.712 119.386 118.700 -0.044 0.000 3.570 105 N HA 0.039 4.776 4.740 -0.005 0.000 0.193 105 N C -1.184 174.327 175.510 0.002 0.000 1.465 105 N CA -0.297 52.738 53.050 -0.024 0.000 0.791 105 N CB 0.689 39.159 38.487 -0.029 0.000 1.677 105 N HN 0.197 nan 8.380 nan 0.000 0.678 106 Q N 0.857 120.676 119.800 0.031 0.000 2.351 106 Q HA 0.722 5.059 4.340 -0.005 0.000 0.273 106 Q C -2.537 173.486 176.000 0.040 0.000 1.077 106 Q CA -1.801 54.065 55.803 0.104 0.000 0.843 106 Q CB 1.833 30.741 28.738 0.285 0.000 1.367 106 Q HN 0.110 nan 8.270 nan 0.000 0.449 107 P HA -0.075 nan 4.420 nan 0.000 0.260 107 P C 0.165 177.565 177.300 0.166 0.000 1.172 107 P CA 0.600 63.718 63.100 0.030 0.000 0.760 107 P CB 0.752 32.483 31.700 0.051 0.000 0.773 108 A N 5.079 128.049 122.820 0.250 0.000 1.917 108 A HA -0.234 4.083 4.320 -0.005 0.000 0.219 108 A C 1.895 179.726 177.584 0.411 0.000 1.182 108 A CA 1.856 54.130 52.037 0.395 0.000 0.633 108 A CB -0.959 18.355 19.000 0.523 0.000 0.819 108 A HN 0.698 nan 8.150 nan 0.000 0.448 109 E N 0.503 120.909 120.200 0.344 0.000 2.455 109 E HA -0.152 4.195 4.350 -0.005 0.000 0.202 109 E C 1.539 178.272 176.600 0.221 0.000 1.045 109 E CA 1.104 57.676 56.400 0.288 0.000 0.872 109 E CB -0.478 29.417 29.700 0.326 0.000 0.792 109 E HN 0.693 nan 8.360 nan 0.000 0.542 110 L N 0.361 121.697 121.223 0.188 0.000 2.416 110 L HA 0.194 4.531 4.340 -0.005 0.000 0.216 110 L C 1.247 178.170 176.870 0.089 0.000 1.098 110 L CA -0.058 54.866 54.840 0.140 0.000 0.840 110 L CB -0.023 42.129 42.059 0.156 0.000 0.981 110 L HN 0.021 nan 8.230 nan 0.000 0.462 111 L N 0.822 122.068 121.223 0.038 0.000 2.426 111 L HA 0.094 4.431 4.340 -0.005 0.000 0.271 111 L C -1.385 175.449 176.870 -0.061 0.000 1.169 111 L CA -1.464 53.326 54.840 -0.083 0.000 0.836 111 L CB 0.038 41.915 42.059 -0.303 0.000 1.112 111 L HN -0.213 nan 8.230 nan 0.000 0.465 112 P HA -0.127 nan 4.420 nan 0.000 0.225 112 P C 0.992 178.276 177.300 -0.027 0.000 1.148 112 P CA 1.048 64.135 63.100 -0.022 0.000 0.779 112 P CB 0.221 31.905 31.700 -0.026 0.000 0.780 113 Q N -1.760 117.964 119.800 -0.128 0.000 2.311 113 Q HA 0.024 4.361 4.340 -0.005 0.000 0.203 113 Q C 1.012 177.126 176.000 0.190 0.000 0.954 113 Q CA 0.839 56.589 55.803 -0.088 0.000 0.885 113 Q CB -0.234 28.320 28.738 -0.306 0.000 0.963 113 Q HN 0.383 nan 8.270 nan 0.000 0.471 114 F N 1.360 121.315 119.950 0.009 0.000 2.730 114 F HA 0.178 4.702 4.527 -0.005 0.000 0.295 114 F C 0.550 176.365 175.800 0.026 0.000 1.143 114 F CA -1.119 56.884 58.000 0.005 0.000 1.367 114 F CB 0.504 39.502 39.000 -0.004 0.000 0.970 114 F HN -0.063 nan 8.300 nan 0.000 0.514 115 S N -0.227 115.597 115.700 0.207 0.000 2.562 115 S HA 0.231 4.698 4.470 -0.005 0.000 0.281 115 S C 0.319 175.014 174.600 0.158 0.000 1.333 115 S CA -0.505 57.792 58.200 0.162 0.000 1.052 115 S CB 1.282 64.553 63.200 0.118 0.000 0.884 115 S HN 0.271 nan 8.310 nan 0.000 0.506 116 S N 0.856 116.650 115.700 0.156 0.000 3.179 116 S HA -0.092 4.375 4.470 -0.005 0.000 0.739 116 S C -0.759 173.869 174.600 0.048 0.000 0.754 116 S CA 0.392 58.666 58.200 0.123 0.000 1.436 116 S CB -1.351 61.912 63.200 0.105 0.000 1.035 116 S HN 1.328 nan 8.310 nan 0.000 0.743 117 I N 2.403 122.968 120.570 -0.008 0.000 2.984 117 I HA 0.673 4.840 4.170 -0.005 0.000 0.303 117 I C -0.933 175.059 176.117 -0.208 0.000 1.381 117 I CA -0.354 60.829 61.300 -0.195 0.000 0.988 117 I CB 2.119 39.943 38.000 -0.294 0.000 1.307 117 I HN 0.593 nan 8.210 nan 0.000 0.460 118 E N 3.784 123.798 120.200 -0.309 0.000 2.222 118 E HA 0.541 4.888 4.350 -0.005 0.000 0.267 118 E C -1.921 174.488 176.600 -0.318 0.000 0.884 118 E CA -0.465 55.825 56.400 -0.183 0.000 0.764 118 E CB 1.330 30.989 29.700 -0.068 0.000 1.169 118 E HN 0.492 nan 8.360 nan 0.000 0.413 119 Y N 1.168 121.411 120.300 -0.095 0.000 2.549 119 Y HA 0.548 5.095 4.550 -0.005 0.000 0.339 119 Y C -0.334 175.485 175.900 -0.136 0.000 1.053 119 Y CA -0.948 57.065 58.100 -0.145 0.000 1.105 119 Y CB 1.800 40.191 38.460 -0.116 0.000 1.258 119 Y HN 0.193 nan 8.280 nan 0.000 0.478 120 V N 2.445 122.375 119.914 0.027 0.000 2.604 120 V HA 0.505 4.622 4.120 -0.005 0.000 0.305 120 V C -0.854 175.227 176.094 -0.020 0.000 1.043 120 V CA -0.943 61.332 62.300 -0.042 0.000 0.888 120 V CB 1.764 33.535 31.823 -0.087 0.000 0.995 120 V HN 0.516 nan 8.190 nan 0.000 0.429 121 V N 6.283 126.177 119.914 -0.034 0.000 2.384 121 V HA 0.540 4.657 4.120 -0.005 0.000 0.287 121 V C -0.423 175.659 176.094 -0.021 0.000 1.020 121 V CA -0.418 61.870 62.300 -0.020 0.000 0.850 121 V CB 1.496 33.305 31.823 -0.023 0.000 0.987 121 V HN 0.644 nan 8.190 nan 0.000 0.436 122 L N 5.671 126.889 121.223 -0.008 0.000 2.372 122 L HA 0.682 5.019 4.340 -0.005 0.000 0.274 122 L C 0.517 177.390 176.870 0.004 0.000 0.988 122 L CA -0.205 54.631 54.840 -0.007 0.000 0.833 122 L CB 1.769 43.822 42.059 -0.009 0.000 1.236 122 L HN 0.739 nan 8.230 nan 0.000 0.410 123 R N 1.744 122.247 120.500 0.004 0.000 2.273 123 R HA 0.155 4.492 4.340 -0.005 0.000 0.117 123 R C 0.080 176.386 176.300 0.010 0.000 0.876 123 R CA 0.320 56.425 56.100 0.009 0.000 2.412 123 R CB 0.712 31.018 30.300 0.010 0.000 1.475 123 R HN 0.714 nan 8.270 nan 0.000 0.504 124 G N 2.470 111.275 108.800 0.009 0.000 2.461 124 G HA2 0.549 4.506 3.960 -0.005 0.000 0.323 124 G HA3 0.549 4.506 3.960 -0.005 0.000 0.323 124 G C -2.460 172.448 174.900 0.013 0.000 1.229 124 G CA -1.084 44.023 45.100 0.012 0.000 0.941 124 G HN 0.014 nan 8.290 nan 0.000 0.477 125 P HA 0.015 nan 4.420 nan 0.000 0.262 125 P C -0.256 177.055 177.300 0.018 0.000 1.182 125 P CA 0.227 63.337 63.100 0.017 0.000 0.761 125 P CB 0.878 32.591 31.700 0.022 0.000 0.795 126 Q N 1.888 121.696 119.800 0.014 0.000 2.337 126 Q HA 0.221 4.558 4.340 -0.005 0.000 0.270 126 Q C 0.365 176.373 176.000 0.012 0.000 1.002 126 Q CA -0.012 55.799 55.803 0.013 0.000 0.888 126 Q CB 0.440 29.185 28.738 0.011 0.000 1.222 126 Q HN 0.436 nan 8.270 nan 0.000 0.400 127 M N 4.317 123.921 119.600 0.006 0.000 2.216 127 M HA 0.293 4.770 4.480 -0.005 0.000 0.356 127 M C -2.038 174.233 176.300 -0.049 0.000 1.205 127 M CA -1.943 53.350 55.300 -0.011 0.000 1.122 127 M CB 0.734 33.330 32.600 -0.006 0.000 1.571 127 M HN 0.473 nan 8.290 nan 0.000 0.464 128 P HA 0.232 nan 4.420 nan 0.000 0.274 128 P C -0.678 176.527 177.300 -0.158 0.000 1.231 128 P CA -0.343 62.708 63.100 -0.082 0.000 0.790 128 P CB 0.755 32.411 31.700 -0.074 0.000 0.951 129 L N 2.093 123.249 121.223 -0.111 0.000 2.464 129 L HA 0.298 4.635 4.340 -0.005 0.000 0.264 129 L C 0.737 177.468 176.870 -0.231 0.000 1.199 129 L CA -0.209 54.479 54.840 -0.252 0.000 0.818 129 L CB -0.106 41.901 42.059 -0.087 0.000 1.102 129 L HN 0.287 nan 8.230 nan 0.000 0.473 130 I N 1.304 121.593 120.570 -0.468 0.000 2.466 130 I HA 0.339 4.506 4.170 -0.005 0.000 0.289 130 I C -1.081 174.771 176.117 -0.442 0.000 1.026 130 I CA -0.247 60.855 61.300 -0.330 0.000 1.078 130 I CB 1.713 39.479 38.000 -0.390 0.000 1.249 130 I HN 0.245 nan 8.210 nan 0.000 0.429 131 F N 6.635 126.584 119.950 -0.001 0.000 2.493 131 F HA 0.543 5.068 4.527 -0.004 0.000 0.329 131 F C -0.529 175.335 175.800 0.107 0.000 1.126 131 F CA -0.795 57.235 58.000 0.050 0.000 0.937 131 F CB 1.849 40.915 39.000 0.110 0.000 1.146 131 F HN 0.192 nan 8.300 nan 0.000 0.442 132 L N 5.218 126.564 121.223 0.205 0.000 2.342 132 L HA 0.528 4.865 4.340 -0.005 0.000 0.276 132 L C -1.545 175.496 176.870 0.285 0.000 0.997 132 L CA -0.845 54.149 54.840 0.257 0.000 0.838 132 L CB 0.274 42.429 42.059 0.160 0.000 1.224 132 L HN 0.381 nan 8.230 nan 0.000 0.416 133 Y N 4.094 124.577 120.300 0.304 0.000 2.304 133 Y HA 0.518 5.064 4.550 -0.005 0.000 0.328 133 Y C 0.236 176.325 175.900 0.315 0.000 1.123 133 Y CA -0.483 57.835 58.100 0.363 0.000 1.218 133 Y CB 1.396 39.981 38.460 0.208 0.000 1.207 133 Y HN 0.279 nan 8.280 nan 0.000 0.495 134 V N 4.746 124.989 119.914 0.547 0.000 2.380 134 V HA 0.260 4.377 4.120 -0.005 0.000 0.272 134 V C -0.740 175.681 176.094 0.545 0.000 1.011 134 V CA -0.852 61.736 62.300 0.480 0.000 0.826 134 V CB 0.738 32.803 31.823 0.403 0.000 1.040 134 V HN 0.524 nan 8.190 nan 0.000 0.441 135 V N 2.483 122.591 119.914 0.324 0.000 2.407 135 V HA 0.383 4.500 4.120 -0.005 0.000 0.278 135 V C 0.153 176.043 176.094 -0.339 0.000 1.037 135 V CA -0.475 61.858 62.300 0.054 0.000 0.900 135 V CB 1.757 33.501 31.823 -0.132 0.000 0.983 135 V HN 0.808 nan 8.190 nan 0.000 0.459 136 D N 3.410 123.484 120.400 -0.542 0.000 2.345 136 D HA 0.238 4.875 4.640 -0.005 0.000 0.247 136 D C 0.988 176.982 176.300 -0.510 0.000 1.108 136 D CA 0.276 53.642 54.000 -1.057 0.000 0.894 136 D CB 1.836 42.349 40.800 -0.478 0.000 1.203 136 D HN 0.744 nan 8.370 nan 0.000 0.430 137 T N -0.852 113.451 114.554 -0.418 0.000 3.043 137 T HA 0.133 4.480 4.350 -0.005 0.000 0.272 137 T C 0.584 175.227 174.700 -0.095 0.000 0.990 137 T CA -0.341 61.644 62.100 -0.191 0.000 0.897 137 T CB -0.809 67.989 68.868 -0.116 0.000 1.111 137 T HN 0.346 nan 8.240 nan 0.000 0.529 138 C N 4.377 123.625 119.300 -0.086 0.000 2.615 138 C HA 0.766 5.223 4.460 -0.005 0.000 0.503 138 C C 0.426 175.417 174.990 0.002 0.000 1.039 138 C CA -0.966 58.049 59.018 -0.005 0.000 1.226 138 C CB -2.499 25.263 27.740 0.037 0.000 1.447 138 C HN 0.792 nan 8.230 nan 0.000 0.572 139 M N -1.036 118.562 119.600 -0.003 0.000 3.008 139 M HA 0.622 5.099 4.480 -0.005 0.000 0.271 139 M C -1.157 175.146 176.300 0.005 0.000 1.265 139 M CA -0.619 54.688 55.300 0.013 0.000 0.817 139 M CB 1.047 33.670 32.600 0.039 0.000 1.638 139 M HN -0.092 nan 8.290 nan 0.000 0.479 140 E N 1.229 121.435 120.200 0.011 0.000 2.392 140 E HA 0.076 4.423 4.350 -0.005 0.000 0.259 140 E C -0.213 176.386 176.600 -0.002 0.000 1.108 140 E CA 0.136 56.538 56.400 0.004 0.000 0.916 140 E CB 0.776 30.479 29.700 0.005 0.000 0.989 140 E HN 0.652 nan 8.360 nan 0.000 0.432 141 D N 1.414 121.810 120.400 -0.007 0.000 2.104 141 D HA -0.159 4.478 4.640 -0.005 0.000 0.194 141 D C 1.524 177.817 176.300 -0.012 0.000 0.994 141 D CA 1.433 55.424 54.000 -0.015 0.000 0.830 141 D CB 0.144 40.935 40.800 -0.015 0.000 0.959 141 D HN 0.486 nan 8.370 nan 0.000 0.452 142 E N -0.103 120.096 120.200 -0.001 0.000 2.106 142 E HA -0.142 4.205 4.350 -0.005 0.000 0.192 142 E C 1.324 177.936 176.600 0.020 0.000 0.984 142 E CA 0.833 57.237 56.400 0.007 0.000 0.806 142 E CB 0.137 29.844 29.700 0.011 0.000 0.750 142 E HN 0.226 nan 8.360 nan 0.000 0.458 143 D N 0.208 120.626 120.400 0.031 0.000 2.149 143 D HA -0.118 4.519 4.640 -0.005 0.000 0.201 143 D C 1.813 178.139 176.300 0.044 0.000 0.972 143 D CA 0.496 54.544 54.000 0.079 0.000 0.835 143 D CB -0.023 40.838 40.800 0.101 0.000 0.966 143 D HN 0.079 nan 8.370 nan 0.000 0.476 144 L N 0.754 121.965 121.223 -0.021 0.000 2.109 144 L HA -0.067 4.270 4.340 -0.005 0.000 0.207 144 L C 2.162 178.961 176.870 -0.118 0.000 1.086 144 L CA 1.569 56.346 54.840 -0.104 0.000 0.760 144 L CB -0.521 41.483 42.059 -0.092 0.000 0.910 144 L HN -0.040 nan 8.230 nan 0.000 0.437 145 Q N -0.866 118.895 119.800 -0.066 0.000 2.084 145 Q HA -0.218 4.119 4.340 -0.005 0.000 0.202 145 Q C 2.126 178.095 176.000 -0.052 0.000 0.978 145 Q CA 1.730 57.498 55.803 -0.060 0.000 0.844 145 Q CB -0.123 28.596 28.738 -0.032 0.000 0.898 145 Q HN 0.643 nan 8.270 nan 0.000 0.426 146 A N 0.881 123.692 122.820 -0.015 0.000 1.883 146 A HA -0.209 4.108 4.320 -0.005 0.000 0.217 146 A C 1.981 179.563 177.584 -0.003 0.000 1.186 146 A CA 1.457 53.518 52.037 0.039 0.000 0.624 146 A CB -0.854 18.214 19.000 0.113 0.000 0.822 146 A HN 0.473 nan 8.150 nan 0.000 0.444 147 L N -0.212 120.914 121.223 -0.162 0.000 2.079 147 L HA -0.155 4.182 4.340 -0.005 0.000 0.210 147 L C 2.137 178.797 176.870 -0.349 0.000 1.081 147 L CA 2.326 56.911 54.840 -0.425 0.000 0.752 147 L CB -0.639 40.939 42.059 -0.801 0.000 0.896 147 L HN 0.379 nan 8.230 nan 0.000 0.433 148 K N -0.501 119.745 120.400 -0.257 0.000 2.057 148 K HA -0.143 4.174 4.320 -0.005 0.000 0.206 148 K C 1.987 178.497 176.600 -0.149 0.000 1.050 148 K CA 1.730 57.882 56.287 -0.225 0.000 0.935 148 K CB -0.168 32.227 32.500 -0.176 0.000 0.715 148 K HN 0.436 nan 8.250 nan 0.000 0.439 149 E N 0.287 120.438 120.200 -0.082 0.000 2.110 149 E HA -0.142 4.205 4.350 -0.005 0.000 0.193 149 E C 2.062 178.667 176.600 0.008 0.000 0.988 149 E CA 1.105 57.485 56.400 -0.032 0.000 0.804 149 E CB 0.031 29.732 29.700 0.000 0.000 0.745 149 E HN 0.143 nan 8.360 nan 0.000 0.458 150 S N 0.573 116.301 115.700 0.047 0.000 2.368 150 S HA -0.128 4.339 4.470 -0.005 0.000 0.225 150 S C 1.943 176.670 174.600 0.212 0.000 1.030 150 S CA 1.116 59.422 58.200 0.177 0.000 0.999 150 S CB -0.064 63.294 63.200 0.264 0.000 0.844 150 S HN 0.245 nan 8.310 nan 0.000 0.459 151 M N 0.792 120.387 119.600 -0.008 0.000 2.288 151 M HA -0.053 4.424 4.480 -0.005 0.000 0.266 151 M C 2.240 178.496 176.300 -0.073 0.000 1.072 151 M CA 1.006 56.311 55.300 0.009 0.000 1.132 151 M CB -0.394 32.026 32.600 -0.299 0.000 1.386 151 M HN 0.293 nan 8.290 nan 0.000 0.432 152 Q N 0.096 119.831 119.800 -0.109 0.000 2.119 152 Q HA -0.129 4.208 4.340 -0.005 0.000 0.201 152 Q C 2.193 178.141 176.000 -0.086 0.000 0.972 152 Q CA 1.228 56.959 55.803 -0.120 0.000 0.847 152 Q CB -0.206 28.470 28.738 -0.105 0.000 0.903 152 Q HN 0.538 nan 8.270 nan 0.000 0.433 153 M N 0.988 120.559 119.600 -0.048 0.000 2.059 153 M HA -0.179 4.298 4.480 -0.005 0.000 0.259 153 M C 2.246 178.454 176.300 -0.153 0.000 1.072 153 M CA 2.365 57.626 55.300 -0.065 0.000 1.117 153 M CB -0.475 32.114 32.600 -0.020 0.000 1.320 153 M HN 0.231 nan 8.290 nan 0.000 0.408 154 S N 1.024 116.602 115.700 -0.203 0.000 2.402 154 S HA -0.196 4.271 4.470 -0.005 0.000 0.233 154 S C 1.865 176.216 174.600 -0.415 0.000 1.030 154 S CA 1.568 59.412 58.200 -0.594 0.000 1.003 154 S CB -1.211 61.610 63.200 -0.633 0.000 0.813 154 S HN 0.596 nan 8.310 nan 0.000 0.477 155 L N 2.747 123.864 121.223 -0.175 0.000 2.141 155 L HA 0.062 4.399 4.340 -0.005 0.000 0.209 155 L C 2.437 179.239 176.870 -0.113 0.000 1.094 155 L CA 1.952 56.720 54.840 -0.120 0.000 0.763 155 L CB -0.930 41.054 42.059 -0.126 0.000 0.908 155 L HN 0.574 nan 8.230 nan 0.000 0.437 156 S N -1.792 113.839 115.700 -0.114 0.000 2.522 156 S HA 0.001 4.468 4.470 -0.005 0.000 0.227 156 S C 1.722 176.279 174.600 -0.072 0.000 0.986 156 S CA 0.536 58.688 58.200 -0.081 0.000 0.929 156 S CB -0.522 62.637 63.200 -0.069 0.000 0.769 156 S HN 0.490 nan 8.310 nan 0.000 0.529 157 L N 0.602 121.767 121.223 -0.096 0.000 2.529 157 L HA 0.353 4.690 4.340 -0.005 0.000 0.223 157 L C 0.631 177.541 176.870 0.066 0.000 1.113 157 L CA -0.008 54.822 54.840 -0.017 0.000 0.861 157 L CB -0.319 41.739 42.059 -0.001 0.000 1.012 157 L HN 0.268 nan 8.230 nan 0.000 0.461 158 L N 0.510 121.736 121.223 0.005 0.000 2.476 158 L HA 0.162 4.499 4.340 -0.005 0.000 0.264 158 L C -2.025 174.835 176.870 -0.017 0.000 1.224 158 L CA -1.617 53.243 54.840 0.035 0.000 0.821 158 L CB -0.304 41.705 42.059 -0.084 0.000 1.101 158 L HN -0.181 nan 8.230 nan 0.000 0.488 159 P HA 0.219 nan 4.420 nan 0.000 0.282 159 P C -2.129 175.179 177.300 0.014 0.000 1.249 159 P CA -1.386 61.701 63.100 -0.021 0.000 0.806 159 P CB 0.525 32.225 31.700 0.001 0.000 0.984 160 P HA -0.214 nan 4.420 nan 0.000 0.216 160 P C 1.196 178.509 177.300 0.023 0.000 1.154 160 P CA 2.004 65.109 63.100 0.008 0.000 0.865 160 P CB -0.530 31.170 31.700 -0.000 0.000 0.789 161 T N -3.833 110.737 114.554 0.026 0.000 3.118 161 T HA 0.279 4.626 4.350 -0.005 0.000 0.260 161 T C 0.932 175.656 174.700 0.040 0.000 1.139 161 T CA 0.103 62.220 62.100 0.028 0.000 1.085 161 T CB -0.757 68.123 68.868 0.020 0.000 0.934 161 T HN 0.077 nan 8.240 nan 0.000 0.518 162 A N 1.776 124.643 122.820 0.079 0.000 2.462 162 A HA 0.587 4.904 4.320 -0.005 0.000 0.243 162 A C 0.295 177.947 177.584 0.114 0.000 1.076 162 A CA -0.571 51.548 52.037 0.136 0.000 0.773 162 A CB -0.011 19.155 19.000 0.277 0.000 1.010 162 A HN 0.572 nan 8.150 nan 0.000 0.493 163 L N 2.427 123.696 121.223 0.077 0.000 2.357 163 L HA 0.613 4.950 4.340 -0.005 0.000 0.273 163 L C 0.022 176.995 176.870 0.172 0.000 1.080 163 L CA -0.754 54.124 54.840 0.063 0.000 0.803 163 L CB 1.190 43.205 42.059 -0.074 0.000 1.174 163 L HN 0.627 nan 8.230 nan 0.000 0.443 164 V N -1.195 118.831 119.914 0.185 0.000 2.962 164 V HA 1.037 5.154 4.120 -0.005 0.000 0.313 164 V C -0.227 176.017 176.094 0.249 0.000 1.099 164 V CA -0.469 61.992 62.300 0.269 0.000 0.971 164 V CB 1.656 33.630 31.823 0.251 0.000 1.028 164 V HN 0.846 nan 8.190 nan 0.000 0.430 165 G N 1.433 110.421 108.800 0.313 0.000 2.696 165 G HA2 0.698 4.655 3.960 -0.005 0.000 0.295 165 G HA3 0.698 4.655 3.960 -0.005 0.000 0.295 165 G C -2.166 172.923 174.900 0.314 0.000 1.398 165 G CA -0.778 44.499 45.100 0.294 0.000 0.920 165 G HN 1.271 nan 8.290 nan 0.000 0.492 166 L N 0.982 122.361 121.223 0.260 0.000 2.409 166 L HA 0.866 5.203 4.340 -0.005 0.000 0.272 166 L C -1.574 175.446 176.870 0.249 0.000 0.980 166 L CA -0.766 54.184 54.840 0.184 0.000 0.826 166 L CB 1.795 43.823 42.059 -0.052 0.000 1.268 166 L HN 0.386 nan 8.230 nan 0.000 0.407 167 I N 3.564 124.295 120.570 0.267 0.000 2.533 167 I HA 0.677 4.844 4.170 -0.005 0.000 0.290 167 I C -0.169 176.145 176.117 0.327 0.000 1.056 167 I CA 0.037 61.541 61.300 0.339 0.000 1.057 167 I CB 2.465 40.642 38.000 0.294 0.000 1.240 167 I HN 0.770 nan 8.210 nan 0.000 0.423 168 T N 3.016 117.793 114.554 0.372 0.000 2.924 168 T HA 0.919 5.266 4.350 -0.005 0.000 0.291 168 T C -0.646 174.284 174.700 0.383 0.000 1.045 168 T CA -0.715 61.547 62.100 0.270 0.000 1.015 168 T CB 1.959 70.951 68.868 0.207 0.000 1.103 168 T HN 0.403 nan 8.240 nan 0.000 0.496 169 F N -1.820 118.229 119.950 0.164 0.000 2.741 169 F HA 0.908 5.433 4.527 -0.003 0.000 0.313 169 F C 0.115 176.000 175.800 0.142 0.000 1.153 169 F CA -0.501 57.593 58.000 0.158 0.000 0.931 169 F CB 1.171 40.257 39.000 0.143 0.000 1.335 169 F HN 0.998 nan 8.300 nan 0.000 0.460 170 G N 0.900 109.923 108.800 0.372 0.000 3.431 170 G HA2 0.128 4.085 3.960 -0.005 0.000 0.152 170 G HA3 0.128 4.085 3.960 -0.005 0.000 0.152 170 G C 0.164 175.223 174.900 0.265 0.000 1.206 170 G CA 0.009 45.261 45.100 0.254 0.000 1.462 170 G HN 0.853 nan 8.290 nan 0.000 0.729 171 R N -0.724 119.886 120.500 0.183 0.000 2.066 171 R HA 0.265 4.602 4.340 -0.005 0.000 0.224 171 R C 0.975 177.283 176.300 0.012 0.000 1.122 171 R CA 0.839 56.909 56.100 -0.049 0.000 0.974 171 R CB -0.153 29.815 30.300 -0.553 0.000 0.871 171 R HN 0.313 nan 8.270 nan 0.000 0.435 172 M N 0.158 119.849 119.600 0.152 0.000 2.679 172 M HA 0.322 4.799 4.480 -0.005 0.000 0.287 172 M C -0.471 175.990 176.300 0.269 0.000 1.202 172 M CA -0.950 54.464 55.300 0.190 0.000 0.911 172 M CB 1.595 34.346 32.600 0.251 0.000 1.556 172 M HN -0.216 nan 8.290 nan 0.000 0.511 173 V N 1.104 121.187 119.914 0.282 0.000 2.483 173 V HA 0.343 4.460 4.120 -0.005 0.000 0.297 173 V C -0.696 175.616 176.094 0.365 0.000 1.027 173 V CA -0.696 61.797 62.300 0.321 0.000 0.855 173 V CB 1.800 33.759 31.823 0.226 0.000 0.995 173 V HN 0.711 nan 8.190 nan 0.000 0.424 174 Q N 3.496 123.502 119.800 0.344 0.000 2.368 174 Q HA 0.528 4.865 4.340 -0.005 0.000 0.263 174 Q C -1.030 175.183 176.000 0.354 0.000 1.009 174 Q CA -0.565 55.414 55.803 0.292 0.000 0.818 174 Q CB 2.534 31.365 28.738 0.156 0.000 1.239 174 Q HN 0.584 nan 8.270 nan 0.000 0.464 175 V N 4.132 124.262 119.914 0.360 0.000 2.368 175 V HA 0.122 4.239 4.120 -0.005 0.000 0.266 175 V C 0.099 176.463 176.094 0.451 0.000 1.045 175 V CA -0.516 61.988 62.300 0.340 0.000 0.899 175 V CB 0.243 32.127 31.823 0.102 0.000 1.006 175 V HN 0.710 nan 8.190 nan 0.000 0.470 176 H N 3.844 123.136 119.070 0.370 0.000 2.646 176 H HA 0.220 4.773 4.556 -0.005 0.000 0.325 176 H C 0.061 175.653 175.328 0.440 0.000 1.075 176 H CA -0.175 56.090 56.048 0.362 0.000 1.421 176 H CB 1.518 31.413 29.762 0.222 0.000 1.461 176 H HN 0.657 nan 8.280 nan 0.000 0.525 177 E N 4.831 125.280 120.200 0.415 0.000 2.089 177 E HA 0.155 4.502 4.350 -0.005 0.000 0.284 177 E C -0.382 176.282 176.600 0.106 0.000 1.023 177 E CA -0.599 55.867 56.400 0.110 0.000 0.819 177 E CB 0.407 30.104 29.700 -0.006 0.000 1.076 177 E HN 0.439 nan 8.360 nan 0.000 0.396 178 L N 3.748 125.023 121.223 0.088 0.000 2.453 178 L HA 0.179 4.516 4.340 -0.005 0.000 0.272 178 L C 1.221 178.112 176.870 0.035 0.000 1.182 178 L CA 0.440 55.328 54.840 0.079 0.000 0.858 178 L CB 0.341 42.450 42.059 0.083 0.000 1.120 178 L HN 0.932 nan 8.230 nan 0.000 0.474 179 G N 2.249 111.071 108.800 0.037 0.000 2.386 179 G HA2 -0.304 3.653 3.960 -0.005 0.000 0.295 179 G HA3 -0.304 3.653 3.960 -0.005 0.000 0.295 179 G C 0.562 175.469 174.900 0.012 0.000 0.979 179 G CA 0.207 45.319 45.100 0.020 0.000 1.193 179 G HN 0.868 nan 8.290 nan 0.000 0.508 180 C N 1.129 120.439 119.300 0.016 0.000 2.454 180 C HA 0.448 4.905 4.460 -0.005 0.000 0.321 180 C C 1.276 176.269 174.990 0.005 0.000 1.299 180 C CA 0.419 59.441 59.018 0.007 0.000 1.683 180 C CB -2.228 25.518 27.740 0.010 0.000 1.772 180 C HN 1.060 nan 8.230 nan 0.000 0.596 181 E N -1.971 118.232 120.200 0.006 0.000 8.020 181 E HA -0.191 4.156 4.350 -0.005 0.000 0.466 181 E C 0.938 177.538 176.600 0.001 0.000 0.748 181 E CA 0.352 56.754 56.400 0.003 0.000 1.303 181 E CB -1.253 28.447 29.700 0.000 0.000 0.984 181 E HN 0.761 nan 8.360 nan 0.000 0.337 182 G N 2.228 111.028 108.800 -0.001 0.000 2.337 182 G HA2 -0.373 3.584 3.960 -0.005 0.000 0.282 182 G HA3 -0.373 3.584 3.960 -0.005 0.000 0.282 182 G C 0.795 175.693 174.900 -0.003 0.000 1.037 182 G CA 1.477 46.575 45.100 -0.003 0.000 0.677 182 G HN 0.792 nan 8.290 nan 0.000 0.559 183 I N -0.903 119.667 120.570 -0.001 0.000 4.228 183 I HA 0.196 4.363 4.170 -0.005 0.000 0.298 183 I C 0.954 177.074 176.117 0.005 0.000 1.206 183 I CA 1.261 62.559 61.300 -0.003 0.000 1.322 183 I CB 0.449 38.444 38.000 -0.009 0.000 1.411 183 I HN 0.896 nan 8.210 nan 0.000 0.454 184 S N 2.655 118.365 115.700 0.017 0.000 3.551 184 S HA -0.183 4.284 4.470 -0.005 0.000 0.547 184 S C -0.373 174.245 174.600 0.030 0.000 0.699 184 S CA 0.831 59.055 58.200 0.040 0.000 1.399 184 S CB -2.016 61.215 63.200 0.050 0.000 0.922 184 S HN 0.693 nan 8.310 nan 0.000 0.818 185 K N 1.095 121.512 120.400 0.028 0.000 2.185 185 K HA 0.869 5.186 4.320 -0.005 0.000 0.240 185 K C -0.125 176.483 176.600 0.015 0.000 0.983 185 K CA -0.285 55.997 56.287 -0.008 0.000 0.873 185 K CB 1.978 34.456 32.500 -0.035 0.000 1.118 185 K HN 1.094 nan 8.250 nan 0.000 0.441 186 S N -0.161 115.508 115.700 -0.052 0.000 2.607 186 S HA 0.422 4.889 4.470 -0.005 0.000 0.273 186 S C -1.554 173.060 174.600 0.024 0.000 1.148 186 S CA -0.966 57.237 58.200 0.005 0.000 0.833 186 S CB 0.489 63.475 63.200 -0.356 0.000 1.130 186 S HN 0.533 nan 8.310 nan 0.000 0.470 187 Y N 0.708 121.069 120.300 0.101 0.000 2.334 187 Y HA 0.551 5.098 4.550 -0.004 0.000 0.336 187 Y C -0.063 175.841 175.900 0.008 0.000 0.960 187 Y CA -0.912 57.215 58.100 0.045 0.000 1.164 187 Y CB 1.499 40.072 38.460 0.189 0.000 1.155 187 Y HN 0.589 nan 8.280 nan 0.000 0.478 188 V N 4.982 124.843 119.914 -0.088 0.000 2.509 188 V HA 0.416 4.533 4.120 -0.005 0.000 0.284 188 V C -0.554 175.376 176.094 -0.274 0.000 1.047 188 V CA -0.770 61.514 62.300 -0.027 0.000 0.952 188 V CB 0.593 32.410 31.823 -0.011 0.000 0.988 188 V HN 0.468 nan 8.190 nan 0.000 0.469 189 F N 1.845 121.852 119.950 0.094 0.000 2.578 189 F HA 0.585 5.108 4.527 -0.006 0.000 0.311 189 F C 0.416 176.243 175.800 0.045 0.000 1.094 189 F CA -1.016 57.022 58.000 0.063 0.000 0.923 189 F CB 1.747 40.776 39.000 0.049 0.000 1.230 189 F HN 0.284 nan 8.300 nan 0.000 0.450 190 R N 0.544 121.157 120.500 0.189 0.000 2.489 190 R HA 0.304 4.641 4.340 -0.005 0.000 0.287 190 R C 0.926 177.270 176.300 0.073 0.000 1.053 190 R CA 0.138 56.289 56.100 0.085 0.000 1.036 190 R CB 0.378 30.699 30.300 0.035 0.000 0.966 190 R HN 0.951 nan 8.270 nan 0.000 0.432 191 G N 1.119 109.937 108.800 0.030 0.000 3.379 191 G HA2 -0.052 3.905 3.960 -0.005 0.000 0.253 191 G HA3 -0.052 3.905 3.960 -0.005 0.000 0.253 191 G C 0.657 175.529 174.900 -0.047 0.000 1.262 191 G CA 0.025 45.124 45.100 -0.002 0.000 0.959 191 G HN 0.539 nan 8.290 nan 0.000 0.524 192 T N -0.327 114.201 114.554 -0.043 0.000 3.010 192 T HA 0.210 4.557 4.350 -0.005 0.000 0.257 192 T C 0.575 175.238 174.700 -0.062 0.000 1.020 192 T CA 0.051 62.114 62.100 -0.062 0.000 0.938 192 T CB 0.045 68.877 68.868 -0.061 0.000 1.049 192 T HN 0.588 nan 8.240 nan 0.000 0.522 193 K N 0.585 120.956 120.400 -0.049 0.000 2.543 193 K HA 0.519 4.836 4.320 -0.005 0.000 0.255 193 K C -1.808 174.760 176.600 -0.052 0.000 0.934 193 K CA -0.911 55.346 56.287 -0.050 0.000 0.810 193 K CB 1.849 34.336 32.500 -0.021 0.000 1.315 193 K HN -0.259 nan 8.250 nan 0.000 0.433 194 D N 2.150 122.505 120.400 -0.075 0.000 2.358 194 D HA 0.405 5.042 4.640 -0.005 0.000 0.244 194 D C -0.723 175.551 176.300 -0.044 0.000 1.163 194 D CA -0.192 53.766 54.000 -0.070 0.000 0.945 194 D CB 0.830 41.584 40.800 -0.076 0.000 1.152 194 D HN 0.519 nan 8.370 nan 0.000 0.451 195 L N 1.258 122.447 121.223 -0.057 0.000 2.408 195 L HA 0.242 4.579 4.340 -0.005 0.000 0.268 195 L C 1.304 178.138 176.870 -0.060 0.000 0.986 195 L CA -0.715 54.091 54.840 -0.057 0.000 0.820 195 L CB 1.984 43.984 42.059 -0.099 0.000 1.303 195 L HN 0.463 nan 8.230 nan 0.000 0.411 196 S N 2.385 118.059 115.700 -0.043 0.000 2.213 196 S HA 0.176 4.643 4.470 -0.005 0.000 0.164 196 S C 0.924 175.492 174.600 -0.055 0.000 1.370 196 S CA 0.768 58.944 58.200 -0.040 0.000 2.315 196 S CB -0.022 63.162 63.200 -0.028 0.000 0.448 196 S HN 0.785 nan 8.310 nan 0.000 0.350 197 A N -0.306 122.485 122.820 -0.048 0.000 1.806 197 A HA 0.399 4.716 4.320 -0.005 0.000 0.193 197 A C 1.781 179.338 177.584 -0.044 0.000 1.883 197 A CA 0.536 52.540 52.037 -0.054 0.000 1.434 197 A CB -0.699 18.276 19.000 -0.041 0.000 1.505 197 A HN 0.500 nan 8.150 nan 0.000 0.364 198 K N 0.393 120.775 120.400 -0.030 0.000 2.148 198 K HA -0.113 4.204 4.320 -0.005 0.000 0.204 198 K C 1.984 178.576 176.600 -0.013 0.000 1.050 198 K CA 1.740 58.014 56.287 -0.020 0.000 0.942 198 K CB -0.103 32.389 32.500 -0.014 0.000 0.724 198 K HN 0.620 nan 8.250 nan 0.000 0.446 199 Q N 0.375 120.167 119.800 -0.013 0.000 1.965 199 Q HA -0.172 4.165 4.340 -0.005 0.000 0.200 199 Q C 2.116 178.120 176.000 0.008 0.000 0.981 199 Q CA 1.410 57.215 55.803 0.005 0.000 0.834 199 Q CB -0.251 28.490 28.738 0.005 0.000 0.900 199 Q HN 0.187 nan 8.270 nan 0.000 0.426 200 L N 1.393 122.594 121.223 -0.036 0.000 1.997 200 L HA -0.330 4.007 4.340 -0.005 0.000 0.216 200 L C 2.528 179.367 176.870 -0.052 0.000 1.074 200 L CA 2.192 56.984 54.840 -0.080 0.000 0.763 200 L CB -0.837 41.114 42.059 -0.180 0.000 0.890 200 L HN 0.334 nan 8.230 nan 0.000 0.434 201 Q N -0.608 119.160 119.800 -0.052 0.000 2.062 201 Q HA -0.294 4.043 4.340 -0.005 0.000 0.209 201 Q C 1.972 177.971 176.000 -0.001 0.000 0.996 201 Q CA 2.554 58.335 55.803 -0.035 0.000 0.859 201 Q CB -0.265 28.455 28.738 -0.030 0.000 0.920 201 Q HN 0.719 nan 8.270 nan 0.000 0.415 202 E N -0.181 120.027 120.200 0.014 0.000 2.150 202 E HA -0.151 4.196 4.350 -0.005 0.000 0.193 202 E C 2.034 178.671 176.600 0.062 0.000 0.985 202 E CA 1.191 57.612 56.400 0.034 0.000 0.814 202 E CB -0.085 29.634 29.700 0.031 0.000 0.752 202 E HN 0.497 nan 8.360 nan 0.000 0.466 203 M N 0.159 119.809 119.600 0.083 0.000 2.419 203 M HA -0.025 4.452 4.480 -0.005 0.000 0.264 203 M C 1.800 178.185 176.300 0.142 0.000 1.082 203 M CA 0.961 56.347 55.300 0.144 0.000 1.119 203 M CB 0.236 32.983 32.600 0.246 0.000 1.398 203 M HN 0.105 nan 8.290 nan 0.000 0.453 204 L N -0.890 120.359 121.223 0.044 0.000 2.556 204 L HA 0.327 4.664 4.340 -0.005 0.000 0.226 204 L C 0.968 177.873 176.870 0.059 0.000 1.089 204 L CA -0.076 54.719 54.840 -0.074 0.000 0.864 204 L CB -0.048 41.856 42.059 -0.258 0.000 1.067 204 L HN 0.446 nan 8.230 nan 0.000 0.477 224 P HA 0.281 nan 4.420 nan 0.000 0.271 224 P C -2.150 175.201 177.300 0.085 0.000 1.220 224 P CA -0.462 62.672 63.100 0.057 0.000 0.768 224 P CB 0.191 31.916 31.700 0.041 0.000 0.848 225 P HA 0.294 nan 4.420 nan 0.000 0.276 225 P C -0.628 176.830 177.300 0.263 0.000 1.252 225 P CA -0.235 62.995 63.100 0.217 0.000 0.802 225 P CB 1.104 33.010 31.700 0.343 0.000 1.035 226 S N -0.372 115.528 115.700 0.333 0.000 2.688 226 S HA 0.409 4.876 4.470 -0.005 0.000 0.266 226 S C -1.146 173.609 174.600 0.258 0.000 1.061 226 S CA -1.009 57.392 58.200 0.336 0.000 0.844 226 S CB 0.882 64.182 63.200 0.167 0.000 1.103 226 S HN 0.537 nan 8.310 nan 0.000 0.471 227 N N -0.294 118.546 118.700 0.234 0.000 3.167 227 N HA 0.518 5.255 4.740 -0.005 0.000 0.323 227 N C 0.445 175.976 175.510 0.036 0.000 1.478 227 N CA -0.911 52.225 53.050 0.143 0.000 0.753 227 N CB 1.014 39.642 38.487 0.236 0.000 1.721 227 N HN 0.660 nan 8.380 nan 0.000 0.618 228 R N -0.254 120.171 120.500 -0.125 0.000 2.193 228 R HA 0.168 4.505 4.340 -0.005 0.000 0.213 228 R C 0.967 177.024 176.300 -0.405 0.000 1.055 228 R CA 1.087 56.993 56.100 -0.323 0.000 0.995 228 R CB -0.079 29.886 30.300 -0.558 0.000 0.893 228 R HN 0.419 nan 8.270 nan 0.000 0.459 229 F N 0.298 120.315 119.950 0.111 0.000 2.746 229 F HA 0.248 4.772 4.527 -0.004 0.000 0.297 229 F C 0.645 176.537 175.800 0.155 0.000 1.113 229 F CA 0.083 58.161 58.000 0.130 0.000 1.367 229 F CB 0.579 39.640 39.000 0.102 0.000 1.111 229 F HN -0.195 nan 8.300 nan 0.000 0.590 230 L N 1.353 122.751 121.223 0.292 0.000 2.485 230 L HA 0.360 4.697 4.340 -0.005 0.000 0.260 230 L C -0.791 176.187 176.870 0.180 0.000 0.998 230 L CA -0.322 54.671 54.840 0.255 0.000 0.883 230 L CB 1.214 43.473 42.059 0.332 0.000 1.196 230 L HN -0.029 nan 8.230 nan 0.000 0.443 231 Q N 2.599 122.479 119.800 0.133 0.000 2.297 231 Q HA 0.523 4.860 4.340 -0.005 0.000 0.268 231 Q C -2.476 173.571 176.000 0.078 0.000 1.045 231 Q CA -2.074 53.786 55.803 0.094 0.000 0.861 231 Q CB 2.428 31.207 28.738 0.070 0.000 1.344 231 Q HN 0.203 nan 8.270 nan 0.000 0.452 232 P HA -0.079 nan 4.420 nan 0.000 0.266 232 P C 0.449 177.778 177.300 0.048 0.000 1.195 232 P CA 0.136 63.265 63.100 0.049 0.000 0.768 232 P CB 0.647 32.370 31.700 0.037 0.000 0.838 233 V N 3.784 123.727 119.914 0.050 0.000 2.237 233 V HA -0.313 3.804 4.120 -0.005 0.000 0.245 233 V C 2.488 178.592 176.094 0.017 0.000 1.046 233 V CA 2.399 64.720 62.300 0.036 0.000 1.007 233 V CB -1.570 30.272 31.823 0.032 0.000 0.638 233 V HN 0.693 nan 8.190 nan 0.000 0.445 234 Q N 0.810 120.618 119.800 0.014 0.000 2.268 234 Q HA -0.298 4.039 4.340 -0.005 0.000 0.210 234 Q C 1.798 177.802 176.000 0.007 0.000 0.988 234 Q CA 2.175 57.981 55.803 0.006 0.000 0.883 234 Q CB -0.453 28.289 28.738 0.007 0.000 0.911 234 Q HN 0.591 nan 8.270 nan 0.000 0.430 235 K N -0.976 119.432 120.400 0.013 0.000 2.353 235 K HA 0.185 4.502 4.320 -0.005 0.000 0.195 235 K C 0.720 177.327 176.600 0.012 0.000 1.031 235 K CA 0.094 56.389 56.287 0.013 0.000 1.079 235 K CB 0.651 33.162 32.500 0.018 0.000 0.857 235 K HN 0.125 nan 8.250 nan 0.000 0.535 236 I N 0.798 121.376 120.570 0.013 0.000 4.592 236 I HA -0.093 4.074 4.170 -0.005 0.000 0.329 236 I C 0.795 176.910 176.117 -0.003 0.000 1.309 236 I CA 0.214 61.520 61.300 0.011 0.000 1.243 236 I CB 0.701 38.717 38.000 0.027 0.000 1.241 236 I HN 0.030 nan 8.210 nan 0.000 0.434 237 D N 0.992 121.387 120.400 -0.008 0.000 2.170 237 D HA -0.311 4.326 4.640 -0.005 0.000 0.193 237 D C 1.918 178.196 176.300 -0.037 0.000 1.004 237 D CA 2.023 56.007 54.000 -0.026 0.000 0.860 237 D CB -0.578 40.207 40.800 -0.026 0.000 0.931 237 D HN 0.304 nan 8.370 nan 0.000 0.448 238 M N -0.289 119.295 119.600 -0.028 0.000 2.132 238 M HA -0.075 4.402 4.480 -0.005 0.000 0.263 238 M C 1.729 178.010 176.300 -0.032 0.000 1.065 238 M CA 1.347 56.629 55.300 -0.030 0.000 1.122 238 M CB -0.375 32.212 32.600 -0.022 0.000 1.365 238 M HN -0.021 nan 8.290 nan 0.000 0.411 239 N N 0.948 119.635 118.700 -0.022 0.000 2.084 239 N HA -0.109 4.628 4.740 -0.005 0.000 0.190 239 N C 1.662 177.152 175.510 -0.033 0.000 1.030 239 N CA 1.081 54.120 53.050 -0.018 0.000 0.849 239 N CB -0.485 38.000 38.487 -0.003 0.000 1.012 239 N HN 0.261 nan 8.380 nan 0.000 0.423 240 L N 0.297 121.494 121.223 -0.044 0.000 2.046 240 L HA -0.168 4.169 4.340 -0.005 0.000 0.208 240 L C 2.127 178.927 176.870 -0.117 0.000 1.077 240 L CA 1.407 56.198 54.840 -0.082 0.000 0.747 240 L CB -0.607 41.399 42.059 -0.089 0.000 0.896 240 L HN 0.254 nan 8.230 nan 0.000 0.432 241 T N -0.960 113.534 114.554 -0.100 0.000 2.833 241 T HA -0.183 4.164 4.350 -0.005 0.000 0.269 241 T C 1.383 176.028 174.700 -0.092 0.000 1.054 241 T CA 1.669 63.705 62.100 -0.106 0.000 1.135 241 T CB -0.091 68.728 68.868 -0.081 0.000 0.869 241 T HN 0.382 nan 8.240 nan 0.000 0.466 242 D N 0.556 120.913 120.400 -0.071 0.000 2.137 242 D HA 0.046 4.683 4.640 -0.005 0.000 0.202 242 D C 2.177 178.439 176.300 -0.063 0.000 0.970 242 D CA 0.420 54.386 54.000 -0.058 0.000 0.837 242 D CB -0.405 40.372 40.800 -0.038 0.000 0.981 242 D HN 0.327 nan 8.370 nan 0.000 0.475 243 L N 0.794 121.978 121.223 -0.065 0.000 2.012 243 L HA -0.157 4.180 4.340 -0.005 0.000 0.210 243 L C 2.389 179.189 176.870 -0.115 0.000 1.073 243 L CA 0.984 55.784 54.840 -0.067 0.000 0.748 243 L CB -0.235 41.786 42.059 -0.062 0.000 0.891 243 L HN 0.048 nan 8.230 nan 0.000 0.431 244 L N -0.687 120.439 121.223 -0.162 0.000 2.079 244 L HA -0.172 4.165 4.340 -0.005 0.000 0.210 244 L C 2.547 179.325 176.870 -0.154 0.000 1.081 244 L CA 1.276 55.995 54.840 -0.201 0.000 0.752 244 L CB -1.045 40.862 42.059 -0.254 0.000 0.896 244 L HN 0.371 nan 8.230 nan 0.000 0.433 245 G N -0.807 107.922 108.800 -0.118 0.000 2.443 245 G HA2 -0.185 3.772 3.960 -0.005 0.000 0.219 245 G HA3 -0.185 3.772 3.960 -0.005 0.000 0.219 245 G C 1.399 176.254 174.900 -0.075 0.000 1.131 245 G CA 0.269 45.314 45.100 -0.092 0.000 0.775 245 G HN 0.405 nan 8.290 nan 0.000 0.547 246 E N -0.480 119.680 120.200 -0.067 0.000 2.474 246 E HA 0.227 4.574 4.350 -0.005 0.000 0.195 246 E C 0.378 176.950 176.600 -0.048 0.000 1.039 246 E CA -0.534 55.837 56.400 -0.049 0.000 0.881 246 E CB 0.192 29.872 29.700 -0.032 0.000 0.970 246 E HN 0.279 nan 8.360 nan 0.000 0.486 247 L N 2.979 124.161 121.223 -0.069 0.000 2.578 247 L HA -0.102 4.235 4.340 -0.005 0.000 0.279 247 L C 0.491 177.325 176.870 -0.060 0.000 1.227 247 L CA 0.710 55.511 54.840 -0.065 0.000 0.900 247 L CB 0.129 42.120 42.059 -0.113 0.000 1.144 247 L HN 0.158 nan 8.230 nan 0.000 0.496 248 Q N 4.465 124.241 119.800 -0.040 0.000 2.351 248 Q HA 0.520 4.857 4.340 -0.005 0.000 0.273 248 Q C -0.743 175.234 176.000 -0.039 0.000 1.077 248 Q CA -1.210 54.568 55.803 -0.042 0.000 0.843 248 Q CB 1.613 30.330 28.738 -0.036 0.000 1.367 248 Q HN 0.548 nan 8.270 nan 0.000 0.449 249 R N 0.274 120.750 120.500 -0.039 0.000 2.817 249 R HA 0.005 4.342 4.340 -0.005 0.000 0.264 249 R C -0.529 175.766 176.300 -0.008 0.000 1.009 249 R CA -0.428 55.655 56.100 -0.029 0.000 1.133 249 R CB -0.052 30.235 30.300 -0.021 0.000 1.013 249 R HN 0.660 nan 8.270 nan 0.000 0.453 250 D N 2.788 123.202 120.400 0.023 0.000 2.570 250 D HA -0.037 4.600 4.640 -0.005 0.000 0.243 250 D C -1.063 175.260 176.300 0.039 0.000 1.171 250 D CA -1.306 52.747 54.000 0.089 0.000 0.879 250 D CB 0.949 41.852 40.800 0.171 0.000 1.143 250 D HN 0.404 nan 8.370 nan 0.000 0.511 251 P HA -0.153 nan 4.420 nan 0.000 0.219 251 P C -0.004 177.146 177.300 -0.249 0.000 1.146 251 P CA 0.668 63.631 63.100 -0.228 0.000 0.808 251 P CB -0.044 31.420 31.700 -0.393 0.000 0.779 252 W N 2.096 123.403 121.300 0.013 0.000 2.322 252 W HA 0.217 4.875 4.660 -0.005 0.000 0.328 252 W C -1.890 174.635 176.519 0.010 0.000 1.395 252 W CA -1.772 55.582 57.345 0.014 0.000 1.267 252 W CB -1.120 28.353 29.460 0.022 0.000 1.259 252 W HN 0.043 nan 8.180 nan 0.000 0.560 253 P HA 0.148 nan 4.420 nan 0.000 0.274 253 P C -0.824 176.553 177.300 0.128 0.000 1.231 253 P CA -0.407 62.765 63.100 0.119 0.000 0.790 253 P CB 0.755 32.506 31.700 0.085 0.000 0.951 254 V N 4.464 124.428 119.914 0.084 0.000 2.313 254 V HA 0.274 4.391 4.120 -0.005 0.000 0.278 254 V C -1.653 174.471 176.094 0.049 0.000 1.017 254 V CA -1.491 60.850 62.300 0.068 0.000 0.823 254 V CB 0.692 32.549 31.823 0.056 0.000 1.010 254 V HN 0.650 nan 8.190 nan 0.000 0.443 255 P HA 0.124 nan 4.420 nan 0.000 0.270 255 P C -0.393 176.923 177.300 0.027 0.000 1.223 255 P CA -0.490 62.631 63.100 0.036 0.000 0.785 255 P CB 0.639 32.361 31.700 0.035 0.000 0.923 256 Q N 0.501 120.314 119.800 0.022 0.000 2.310 256 Q HA 0.106 4.443 4.340 -0.005 0.000 0.315 256 Q C 1.531 177.541 176.000 0.017 0.000 1.081 256 Q CA 1.654 57.468 55.803 0.018 0.000 0.981 256 Q CB -0.477 28.270 28.738 0.015 0.000 1.184 256 Q HN 0.924 nan 8.270 nan 0.000 0.389 257 G N 1.946 110.755 108.800 0.015 0.000 2.168 257 G HA2 -0.258 3.699 3.960 -0.005 0.000 0.257 257 G HA3 -0.258 3.699 3.960 -0.005 0.000 0.257 257 G C 0.056 174.966 174.900 0.015 0.000 0.997 257 G CA 0.491 45.599 45.100 0.014 0.000 0.708 257 G HN 0.381 nan 8.290 nan 0.000 0.520 258 K N -0.330 120.081 120.400 0.017 0.000 2.281 258 K HA 0.578 4.895 4.320 -0.005 0.000 0.242 258 K C 0.690 177.300 176.600 0.017 0.000 0.971 258 K CA -0.813 55.485 56.287 0.017 0.000 0.834 258 K CB 1.456 33.968 32.500 0.021 0.000 1.181 258 K HN 0.284 nan 8.250 nan 0.000 0.435 259 R N 1.089 121.598 120.500 0.014 0.000 2.596 259 R HA 0.418 4.755 4.340 -0.005 0.000 0.267 259 R C -2.150 174.163 176.300 0.021 0.000 1.026 259 R CA -1.763 54.345 56.100 0.014 0.000 1.087 259 R CB 0.459 30.762 30.300 0.005 0.000 1.132 259 R HN 0.302 nan 8.270 nan 0.000 0.531 260 P HA 0.134 nan 4.420 nan 0.000 0.276 260 P C -0.747 176.574 177.300 0.036 0.000 1.244 260 P CA -0.321 62.806 63.100 0.046 0.000 0.801 260 P CB 0.576 32.312 31.700 0.060 0.000 1.006 261 L N 2.229 123.470 121.223 0.030 0.000 2.278 261 L HA 0.394 4.731 4.340 -0.005 0.000 0.287 261 L C 0.830 177.733 176.870 0.055 0.000 1.072 261 L CA -0.122 54.719 54.840 0.003 0.000 0.819 261 L CB 0.193 42.214 42.059 -0.062 0.000 1.176 261 L HN 0.331 nan 8.230 nan 0.000 0.435 262 R N 1.902 122.451 120.500 0.082 0.000 2.409 262 R HA 0.283 4.620 4.340 -0.005 0.000 0.313 262 R C -0.238 176.151 176.300 0.148 0.000 0.953 262 R CA -0.290 55.927 56.100 0.195 0.000 0.849 262 R CB 1.257 31.686 30.300 0.216 0.000 1.171 262 R HN 0.551 nan 8.270 nan 0.000 0.458 263 S N 1.950 117.745 115.700 0.159 0.000 2.849 263 S HA 0.029 4.496 4.470 -0.005 0.000 0.244 263 S C 1.049 175.507 174.600 -0.238 0.000 1.297 263 S CA -0.349 57.838 58.200 -0.022 0.000 1.241 263 S CB 0.443 63.637 63.200 -0.010 0.000 0.958 263 S HN 0.674 nan 8.310 nan 0.000 0.489 264 S N 2.453 118.043 115.700 -0.184 0.000 2.378 264 S HA -0.205 4.262 4.470 -0.005 0.000 0.229 264 S C 2.340 176.858 174.600 -0.136 0.000 1.052 264 S CA 1.802 59.822 58.200 -0.299 0.000 1.084 264 S CB -0.830 62.425 63.200 0.090 0.000 0.950 264 S HN 0.761 nan 8.310 nan 0.000 0.440 265 G N 0.839 109.663 108.800 0.040 0.000 2.440 265 G HA2 -0.170 3.787 3.960 -0.005 0.000 0.218 265 G HA3 -0.170 3.787 3.960 -0.005 0.000 0.218 265 G C 1.440 176.342 174.900 0.004 0.000 1.154 265 G CA 1.153 46.260 45.100 0.011 0.000 0.767 265 G HN 0.455 nan 8.290 nan 0.000 0.552 266 V N 1.282 121.123 119.914 -0.122 0.000 2.488 266 V HA -0.008 4.109 4.120 -0.005 0.000 0.246 266 V C 3.276 179.288 176.094 -0.136 0.000 1.046 266 V CA 1.689 63.920 62.300 -0.114 0.000 1.053 266 V CB -0.621 31.135 31.823 -0.111 0.000 0.679 266 V HN 0.475 nan 8.190 nan 0.000 0.458 267 A N -0.232 122.445 122.820 -0.238 0.000 1.883 267 A HA -0.220 4.097 4.320 -0.005 0.000 0.217 267 A C 2.286 179.792 177.584 -0.130 0.000 1.186 267 A CA 2.056 53.947 52.037 -0.244 0.000 0.624 267 A CB -0.620 17.964 19.000 -0.694 0.000 0.822 267 A HN 0.458 nan 8.150 nan 0.000 0.444 268 L N 0.435 121.590 121.223 -0.114 0.000 2.083 268 L HA -0.176 4.161 4.340 -0.005 0.000 0.209 268 L C 2.932 179.780 176.870 -0.035 0.000 1.083 268 L CA 1.942 56.777 54.840 -0.010 0.000 0.752 268 L CB -0.352 41.761 42.059 0.090 0.000 0.899 268 L HN 0.644 nan 8.230 nan 0.000 0.433 269 S N -0.459 115.204 115.700 -0.062 0.000 2.402 269 S HA -0.168 4.299 4.470 -0.005 0.000 0.229 269 S C 1.744 176.290 174.600 -0.090 0.000 1.021 269 S CA 0.812 58.968 58.200 -0.073 0.000 0.974 269 S CB -0.493 62.692 63.200 -0.024 0.000 0.800 269 S HN 0.275 nan 8.310 nan 0.000 0.484 270 I N 2.588 123.086 120.570 -0.120 0.000 2.439 270 I HA 0.092 4.259 4.170 -0.005 0.000 0.251 270 I C 2.742 178.786 176.117 -0.121 0.000 1.139 270 I CA 0.494 61.684 61.300 -0.184 0.000 1.438 270 I CB -1.005 36.834 38.000 -0.269 0.000 1.085 270 I HN 0.377 nan 8.210 nan 0.000 0.427 271 A N -0.248 122.543 122.820 -0.047 0.000 1.873 271 A HA -0.111 4.206 4.320 -0.005 0.000 0.215 271 A C 2.470 180.061 177.584 0.013 0.000 1.186 271 A CA 1.682 53.724 52.037 0.007 0.000 0.616 271 A CB -1.018 18.018 19.000 0.061 0.000 0.823 271 A HN 0.195 nan 8.150 nan 0.000 0.442 272 V N 0.034 119.955 119.914 0.011 0.000 2.261 272 V HA -0.194 3.923 4.120 -0.005 0.000 0.246 272 V C 2.854 178.966 176.094 0.031 0.000 1.047 272 V CA 2.081 64.406 62.300 0.041 0.000 1.015 272 V CB -1.471 30.360 31.823 0.013 0.000 0.642 272 V HN 0.610 nan 8.190 nan 0.000 0.446 273 G N -0.097 108.688 108.800 -0.027 0.000 2.446 273 G HA2 -0.299 3.658 3.960 -0.005 0.000 0.217 273 G HA3 -0.299 3.658 3.960 -0.005 0.000 0.217 273 G C 1.585 176.460 174.900 -0.042 0.000 1.168 273 G CA 1.305 46.377 45.100 -0.047 0.000 0.771 273 G HN 0.431 nan 8.290 nan 0.000 0.551 274 L N 0.632 121.814 121.223 -0.067 0.000 1.990 274 L HA -0.065 4.272 4.340 -0.005 0.000 0.213 274 L C 2.741 179.626 176.870 0.025 0.000 1.072 274 L CA 1.654 56.454 54.840 -0.067 0.000 0.755 274 L CB -0.582 41.425 42.059 -0.087 0.000 0.889 274 L HN 0.247 nan 8.230 nan 0.000 0.432 275 L N -0.776 120.494 121.223 0.078 0.000 2.093 275 L HA -0.190 4.147 4.340 -0.005 0.000 0.208 275 L C 2.577 179.607 176.870 0.267 0.000 1.085 275 L CA 1.607 56.549 54.840 0.169 0.000 0.755 275 L CB -0.734 41.348 42.059 0.039 0.000 0.904 275 L HN 0.474 nan 8.230 nan 0.000 0.435 276 E N 0.312 120.623 120.200 0.185 0.000 2.160 276 E HA -0.274 4.073 4.350 -0.005 0.000 0.195 276 E C 2.090 178.712 176.600 0.037 0.000 0.991 276 E CA 1.796 58.254 56.400 0.097 0.000 0.810 276 E CB 0.038 29.756 29.700 0.031 0.000 0.742 276 E HN 0.702 nan 8.360 nan 0.000 0.466 277 C N -0.969 118.337 119.300 0.010 0.000 2.906 277 C HA 0.359 4.816 4.460 -0.005 0.000 0.274 277 C C 2.188 177.130 174.990 -0.081 0.000 1.257 277 C CA 0.348 59.345 59.018 -0.034 0.000 1.695 277 C CB -0.681 27.033 27.740 -0.043 0.000 1.958 277 C HN 0.482 nan 8.230 nan 0.000 0.619 278 T N -3.180 111.321 114.554 -0.089 0.000 3.114 278 T HA 0.388 4.735 4.350 -0.005 0.000 0.240 278 T C 0.160 174.477 174.700 -0.637 0.000 0.983 278 T CA 0.357 62.261 62.100 -0.326 0.000 1.151 278 T CB -0.303 68.452 68.868 -0.188 0.000 0.974 278 T HN 0.323 nan 8.240 nan 0.000 0.442 279 F N 3.708 123.716 119.950 0.097 0.000 2.710 279 F HA 0.468 4.994 4.527 -0.002 0.000 0.345 279 F C -2.777 173.143 175.800 0.200 0.000 1.362 279 F CA -2.366 55.700 58.000 0.111 0.000 1.175 279 F CB 1.529 40.573 39.000 0.075 0.000 1.561 279 F HN 0.019 nan 8.300 nan 0.000 0.593 280 P HA 0.105 nan 4.420 nan 0.000 0.278 280 P C -0.311 177.021 177.300 0.055 0.000 1.238 280 P CA 0.010 63.147 63.100 0.062 0.000 0.794 280 P CB 0.843 32.539 31.700 -0.007 0.000 0.955 281 N N -0.589 118.075 118.700 -0.058 0.000 2.746 281 N HA -0.092 4.645 4.740 -0.005 0.000 0.250 281 N C -0.828 174.732 175.510 0.083 0.000 1.055 281 N CA 1.128 54.177 53.050 -0.002 0.000 0.699 281 N CB -1.887 36.602 38.487 0.004 0.000 0.919 281 N HN 0.540 nan 8.380 nan 0.000 0.548 282 T N -1.411 113.234 114.554 0.152 0.000 2.957 282 T HA 0.435 4.782 4.350 -0.005 0.000 0.336 282 T C 0.574 175.343 174.700 0.115 0.000 1.462 282 T CA -0.265 61.910 62.100 0.126 0.000 1.073 282 T CB 1.886 70.825 68.868 0.119 0.000 1.319 282 T HN 0.316 nan 8.240 nan 0.000 0.485 283 G N 0.864 109.646 108.800 -0.031 0.000 2.202 283 G HA2 0.474 4.431 3.960 -0.005 0.000 0.251 283 G HA3 0.474 4.431 3.960 -0.005 0.000 0.251 283 G C -0.156 174.453 174.900 -0.486 0.000 1.219 283 G CA 0.184 45.135 45.100 -0.250 0.000 0.943 283 G HN 1.054 nan 8.290 nan 0.000 0.465 284 A N 3.325 125.949 122.820 -0.327 0.000 2.520 284 A HA 0.802 5.119 4.320 -0.005 0.000 0.298 284 A C -0.298 177.129 177.584 -0.262 0.000 1.051 284 A CA -0.845 50.917 52.037 -0.459 0.000 0.690 284 A CB 1.591 20.202 19.000 -0.648 0.000 1.281 284 A HN 0.776 nan 8.150 nan 0.000 0.402 285 R N 2.428 122.725 120.500 -0.339 0.000 2.388 285 R HA 0.591 4.928 4.340 -0.005 0.000 0.314 285 R C -1.505 174.769 176.300 -0.044 0.000 0.959 285 R CA -0.462 55.559 56.100 -0.131 0.000 0.851 285 R CB 0.595 30.802 30.300 -0.155 0.000 1.168 285 R HN 0.689 nan 8.270 nan 0.000 0.472 286 I N 6.361 126.936 120.570 0.009 0.000 2.291 286 I HA 0.202 4.369 4.170 -0.005 0.000 0.292 286 I C 0.018 176.202 176.117 0.112 0.000 1.064 286 I CA -0.073 61.266 61.300 0.066 0.000 1.269 286 I CB 1.086 39.123 38.000 0.061 0.000 1.418 286 I HN 0.474 nan 8.210 nan 0.000 0.485 287 M N 7.676 127.378 119.600 0.170 0.000 2.055 287 M HA 0.416 4.893 4.480 -0.005 0.000 0.347 287 M C -0.461 175.928 176.300 0.148 0.000 1.123 287 M CA -0.130 55.288 55.300 0.196 0.000 1.035 287 M CB 1.351 34.123 32.600 0.286 0.000 1.484 287 M HN 0.539 nan 8.290 nan 0.000 0.428 288 M N 3.762 123.409 119.600 0.079 0.000 2.129 288 M HA 0.507 4.984 4.480 -0.005 0.000 0.348 288 M C -1.704 174.634 176.300 0.063 0.000 1.116 288 M CA -0.353 55.057 55.300 0.184 0.000 1.022 288 M CB 0.825 33.541 32.600 0.193 0.000 1.599 288 M HN 0.483 nan 8.290 nan 0.000 0.449 289 F N 5.932 126.050 119.950 0.280 0.000 2.388 289 F HA 0.498 5.022 4.527 -0.005 0.000 0.358 289 F C -0.177 175.753 175.800 0.217 0.000 1.122 289 F CA -0.779 57.339 58.000 0.196 0.000 1.056 289 F CB 0.611 39.514 39.000 -0.161 0.000 1.155 289 F HN 0.325 nan 8.300 nan 0.000 0.461 290 I N 2.006 122.847 120.570 0.452 0.000 2.460 290 I HA 0.388 4.555 4.170 -0.005 0.000 0.298 290 I C 1.014 177.348 176.117 0.361 0.000 0.989 290 I CA -0.293 61.218 61.300 0.353 0.000 1.173 290 I CB 1.685 39.823 38.000 0.230 0.000 1.338 290 I HN 0.757 nan 8.210 nan 0.000 0.456 291 G N 3.123 112.064 108.800 0.235 0.000 3.274 291 G HA2 0.546 4.503 3.960 -0.005 0.000 0.250 291 G HA3 0.546 4.503 3.960 -0.005 0.000 0.250 291 G C 0.299 175.234 174.900 0.058 0.000 1.024 291 G CA 0.232 45.432 45.100 0.166 0.000 0.840 291 G HN 0.901 nan 8.290 nan 0.000 0.522 292 G N -0.215 108.625 108.800 0.067 0.000 2.356 292 G HA2 0.556 4.513 3.960 -0.005 0.000 0.294 292 G HA3 0.556 4.513 3.960 -0.005 0.000 0.294 292 G C -3.420 171.508 174.900 0.047 0.000 1.423 292 G CA -0.732 44.389 45.100 0.034 0.000 0.806 292 G HN -0.006 nan 8.290 nan 0.000 0.527 293 P HA 0.471 nan 4.420 nan 0.000 0.276 293 P C -0.088 177.233 177.300 0.035 0.000 1.244 293 P CA 0.021 63.124 63.100 0.006 0.000 0.801 293 P CB 1.393 33.075 31.700 -0.031 0.000 1.006 294 A N 1.619 124.461 122.820 0.038 0.000 2.404 294 A HA 0.360 4.677 4.320 -0.005 0.000 0.273 294 A C 1.204 178.760 177.584 -0.046 0.000 1.144 294 A CA 0.183 52.248 52.037 0.046 0.000 0.806 294 A CB -0.687 18.378 19.000 0.110 0.000 1.080 294 A HN 0.633 nan 8.150 nan 0.000 0.509 295 T N -0.763 113.760 114.554 -0.052 0.000 3.040 295 T HA 0.262 4.609 4.350 -0.005 0.000 0.266 295 T C 0.395 175.013 174.700 -0.136 0.000 1.005 295 T CA 0.294 62.322 62.100 -0.120 0.000 0.906 295 T CB -0.050 68.778 68.868 -0.067 0.000 1.082 295 T HN 0.669 nan 8.240 nan 0.000 0.531 296 Q N 1.035 120.770 119.800 -0.108 0.000 2.903 296 Q HA 0.432 4.769 4.340 -0.005 0.000 0.342 296 Q C 0.627 176.555 176.000 -0.119 0.000 0.808 296 Q CA -0.601 55.138 55.803 -0.107 0.000 1.004 296 Q CB 0.307 28.997 28.738 -0.079 0.000 1.470 296 Q HN 0.543 nan 8.270 nan 0.000 0.387 297 G N 2.153 110.864 108.800 -0.148 0.000 3.077 297 G HA2 -0.052 3.905 3.960 -0.005 0.000 0.259 297 G HA3 -0.052 3.905 3.960 -0.005 0.000 0.259 297 G C -2.176 172.596 174.900 -0.213 0.000 1.268 297 G CA -0.697 44.292 45.100 -0.185 0.000 0.944 297 G HN 0.363 nan 8.290 nan 0.000 0.632 298 P HA 0.153 nan 4.420 nan 0.000 0.257 298 P C 0.825 177.668 177.300 -0.761 0.000 1.162 298 P CA 1.906 64.628 63.100 -0.630 0.000 0.762 298 P CB 0.346 31.512 31.700 -0.890 0.000 0.753 299 G N 2.525 111.060 108.800 -0.441 0.000 2.184 299 G HA2 -0.257 3.700 3.960 -0.005 0.000 0.206 299 G HA3 -0.257 3.700 3.960 -0.005 0.000 0.206 299 G C 0.233 175.224 174.900 0.152 0.000 0.995 299 G CA -0.263 44.802 45.100 -0.058 0.000 0.651 299 G HN 0.562 nan 8.290 nan 0.000 0.511 300 M N 1.258 120.835 119.600 -0.040 0.000 2.260 300 M HA 0.317 4.794 4.480 -0.005 0.000 0.348 300 M C 1.316 177.541 176.300 -0.126 0.000 1.342 300 M CA 0.684 55.903 55.300 -0.135 0.000 1.040 300 M CB 0.961 33.391 32.600 -0.282 0.000 1.810 300 M HN 0.032 nan 8.290 nan 0.000 0.453 301 V N 5.064 124.881 119.914 -0.161 0.000 3.635 301 V HA 0.221 4.338 4.120 -0.005 0.000 0.266 301 V C 0.133 176.150 176.094 -0.130 0.000 1.316 301 V CA 0.060 62.315 62.300 -0.076 0.000 1.060 301 V CB 1.000 32.807 31.823 -0.026 0.000 0.820 301 V HN 0.757 nan 8.190 nan 0.000 0.447 302 V N -1.419 118.280 119.914 -0.358 0.000 3.301 302 V HA 0.796 4.913 4.120 -0.005 0.000 0.291 302 V C -0.540 175.346 176.094 -0.347 0.000 1.549 302 V CA 0.041 62.208 62.300 -0.222 0.000 1.061 302 V CB 1.962 33.764 31.823 -0.036 0.000 1.154 302 V HN 0.237 nan 8.190 nan 0.000 0.466 303 G N 0.410 109.169 108.800 -0.068 0.000 2.488 303 G HA2 0.488 4.445 3.960 -0.005 0.000 0.318 303 G HA3 0.488 4.445 3.960 -0.005 0.000 0.318 303 G C 0.081 174.969 174.900 -0.020 0.000 1.188 303 G CA 0.320 45.398 45.100 -0.037 0.000 0.944 303 G HN 1.022 nan 8.290 nan 0.000 0.495 304 D N -0.876 119.515 120.400 -0.015 0.000 2.378 304 D HA -0.051 4.586 4.640 -0.005 0.000 0.227 304 D C 0.304 176.610 176.300 0.010 0.000 1.012 304 D CA 0.265 54.262 54.000 -0.006 0.000 0.905 304 D CB 0.214 41.009 40.800 -0.008 0.000 0.895 304 D HN 0.197 nan 8.370 nan 0.000 0.532 305 E N 0.850 121.062 120.200 0.020 0.000 2.003 305 E HA 0.104 4.451 4.350 -0.005 0.000 0.279 305 E C 1.271 177.884 176.600 0.022 0.000 1.132 305 E CA -0.185 56.229 56.400 0.023 0.000 0.888 305 E CB 1.249 30.968 29.700 0.031 0.000 1.056 305 E HN 0.327 nan 8.360 nan 0.000 0.399 306 L N 2.741 123.974 121.223 0.016 0.000 2.189 306 L HA -0.282 4.055 4.340 -0.005 0.000 0.214 306 L C 2.128 179.007 176.870 0.015 0.000 1.097 306 L CA 1.383 56.232 54.840 0.014 0.000 0.764 306 L CB -0.357 41.709 42.059 0.011 0.000 0.900 306 L HN 0.385 nan 8.230 nan 0.000 0.436 307 K N -0.658 119.752 120.400 0.017 0.000 2.059 307 K HA -0.130 4.187 4.320 -0.005 0.000 0.212 307 K C 0.796 177.408 176.600 0.020 0.000 1.050 307 K CA 1.288 57.585 56.287 0.017 0.000 0.927 307 K CB -0.607 31.904 32.500 0.018 0.000 0.714 307 K HN 0.238 nan 8.250 nan 0.000 0.447 308 T N 3.844 118.414 114.554 0.026 0.000 2.794 308 T HA 0.166 4.513 4.350 -0.005 0.000 0.296 308 T C -2.157 172.562 174.700 0.031 0.000 0.949 308 T CA -1.391 60.729 62.100 0.033 0.000 1.101 308 T CB 1.370 70.266 68.868 0.048 0.000 0.905 308 T HN 0.100 nan 8.240 nan 0.000 0.516 309 P HA 0.345 nan 4.420 nan 0.000 0.276 309 P C -0.319 176.993 177.300 0.021 0.000 1.252 309 P CA -0.624 62.488 63.100 0.019 0.000 0.802 309 P CB 0.873 32.584 31.700 0.018 0.000 1.035 310 I N 1.716 122.287 120.570 0.002 0.000 2.529 310 I HA 0.097 4.264 4.170 -0.005 0.000 0.284 310 I C 1.673 177.776 176.117 -0.022 0.000 1.082 310 I CA -0.718 60.576 61.300 -0.010 0.000 1.406 310 I CB 0.253 38.228 38.000 -0.040 0.000 1.405 310 I HN 0.378 nan 8.210 nan 0.000 0.548 311 R N 4.872 125.359 120.500 -0.022 0.000 2.678 311 R HA 0.014 4.351 4.340 -0.005 0.000 0.264 311 R C -0.413 175.825 176.300 -0.103 0.000 0.995 311 R CA 0.072 56.146 56.100 -0.043 0.000 1.098 311 R CB -0.262 30.006 30.300 -0.054 0.000 0.949 311 R HN 0.752 nan 8.270 nan 0.000 0.422 312 S N 0.966 116.628 115.700 -0.063 0.000 2.677 312 S HA 0.326 4.793 4.470 -0.005 0.000 0.304 312 S C 0.749 175.305 174.600 -0.073 0.000 1.108 312 S CA -0.975 57.176 58.200 -0.081 0.000 0.944 312 S CB 0.951 64.188 63.200 0.061 0.000 1.127 312 S HN 0.739 nan 8.310 nan 0.000 0.511 313 W N 0.113 121.327 121.300 -0.143 0.000 2.342 313 W HA -0.102 4.555 4.660 -0.005 0.000 0.297 313 W C 2.579 179.051 176.519 -0.079 0.000 1.213 313 W CA 1.288 58.465 57.345 -0.280 0.000 1.251 313 W CB -0.341 28.681 29.460 -0.730 0.000 1.136 313 W HN 0.788 nan 8.180 nan 0.000 0.526 314 H N -0.015 119.275 119.070 0.367 0.000 2.290 314 H HA -0.177 4.376 4.556 -0.005 0.000 0.298 314 H C 1.760 177.221 175.328 0.221 0.000 1.087 314 H CA 1.881 58.150 56.048 0.367 0.000 1.291 314 H CB -0.832 29.089 29.762 0.265 0.000 1.369 314 H HN 0.134 nan 8.280 nan 0.000 0.492 315 D N 0.425 120.990 120.400 0.276 0.000 2.133 315 D HA -0.139 4.498 4.640 -0.005 0.000 0.195 315 D C 2.299 178.679 176.300 0.132 0.000 0.997 315 D CA 0.719 54.811 54.000 0.154 0.000 0.840 315 D CB -0.335 40.517 40.800 0.087 0.000 0.947 315 D HN 0.237 nan 8.370 nan 0.000 0.452 316 I N 1.068 121.723 120.570 0.142 0.000 2.394 316 I HA -0.179 3.988 4.170 -0.005 0.000 0.251 316 I C 1.717 177.941 176.117 0.177 0.000 1.136 316 I CA 1.254 62.636 61.300 0.136 0.000 1.425 316 I CB -0.029 38.063 38.000 0.153 0.000 1.079 316 I HN -0.132 nan 8.210 nan 0.000 0.425 317 D N 0.281 120.825 120.400 0.239 0.000 2.194 317 D HA -0.107 4.530 4.640 -0.005 0.000 0.204 317 D C 1.378 177.777 176.300 0.165 0.000 0.964 317 D CA 0.741 54.878 54.000 0.228 0.000 0.846 317 D CB 0.219 41.220 40.800 0.336 0.000 0.962 317 D HN 0.320 nan 8.370 nan 0.000 0.490 318 K N 1.159 121.654 120.400 0.157 0.000 2.520 318 K HA 0.040 4.357 4.320 -0.005 0.000 0.205 318 K C -0.428 176.215 176.600 0.073 0.000 1.035 318 K CA -0.104 56.245 56.287 0.105 0.000 1.188 318 K CB 0.467 33.027 32.500 0.099 0.000 0.894 318 K HN 0.063 nan 8.250 nan 0.000 0.497 319 D N 1.532 121.976 120.400 0.073 0.000 2.686 319 D HA -0.225 4.412 4.640 -0.005 0.000 0.235 319 D C -0.482 175.834 176.300 0.026 0.000 1.160 319 D CA 0.764 54.791 54.000 0.044 0.000 0.645 319 D CB -1.220 39.599 40.800 0.032 0.000 1.039 319 D HN 0.540 nan 8.370 nan 0.000 0.423 320 N N -0.299 118.422 118.700 0.034 0.000 2.696 320 N HA 0.383 5.120 4.740 -0.005 0.000 0.308 320 N C -0.757 174.756 175.510 0.005 0.000 1.915 320 N CA -0.221 52.839 53.050 0.016 0.000 0.906 320 N CB 0.520 39.027 38.487 0.033 0.000 1.284 320 N HN 0.199 nan 8.380 nan 0.000 0.488 321 A N 1.962 124.773 122.820 -0.016 0.000 3.307 321 A HA 0.121 4.438 4.320 -0.005 0.000 0.289 321 A C 0.814 178.354 177.584 -0.074 0.000 1.138 321 A CA -0.660 51.363 52.037 -0.023 0.000 0.860 321 A CB 0.118 19.120 19.000 0.004 0.000 1.318 321 A HN 0.548 nan 8.150 nan 0.000 0.551 322 K N -0.359 119.922 120.400 -0.198 0.000 2.360 322 K HA -0.166 4.151 4.320 -0.005 0.000 0.201 322 K C 0.675 177.074 176.600 -0.336 0.000 1.046 322 K CA 1.976 58.072 56.287 -0.319 0.000 0.940 322 K CB -0.399 31.810 32.500 -0.485 0.000 0.748 322 K HN 0.675 nan 8.250 nan 0.000 0.465 323 Y N 0.708 121.010 120.300 0.002 0.000 2.479 323 Y HA -0.001 4.545 4.550 -0.006 0.000 0.283 323 Y C 2.434 178.343 175.900 0.015 0.000 1.109 323 Y CA -0.196 57.908 58.100 0.007 0.000 1.239 323 Y CB 0.064 38.528 38.460 0.006 0.000 1.108 323 Y HN -0.214 nan 8.280 nan 0.000 0.548 324 V N 1.226 121.224 119.914 0.140 0.000 2.223 324 V HA -0.472 3.645 4.120 -0.005 0.000 0.253 324 V C 2.185 178.329 176.094 0.084 0.000 1.061 324 V CA 2.430 64.780 62.300 0.082 0.000 1.035 324 V CB -0.673 31.168 31.823 0.029 0.000 0.653 324 V HN 0.391 nan 8.190 nan 0.000 0.454 325 K N -0.581 119.857 120.400 0.063 0.000 2.063 325 K HA -0.247 4.070 4.320 -0.005 0.000 0.208 325 K C 2.321 178.965 176.600 0.073 0.000 1.048 325 K CA 1.818 58.141 56.287 0.060 0.000 0.928 325 K CB -0.260 32.264 32.500 0.039 0.000 0.713 325 K HN 0.397 nan 8.250 nan 0.000 0.442 326 K N 0.206 120.654 120.400 0.080 0.000 2.025 326 K HA -0.105 4.212 4.320 -0.005 0.000 0.207 326 K C 2.221 178.886 176.600 0.107 0.000 1.049 326 K CA 1.397 57.732 56.287 0.080 0.000 0.933 326 K CB -0.188 32.359 32.500 0.079 0.000 0.714 326 K HN 0.240 nan 8.250 nan 0.000 0.438 327 G N -0.173 108.717 108.800 0.150 0.000 2.402 327 G HA2 -0.211 3.746 3.960 -0.005 0.000 0.216 327 G HA3 -0.211 3.746 3.960 -0.005 0.000 0.216 327 G C 1.412 176.484 174.900 0.287 0.000 1.162 327 G CA 1.282 46.506 45.100 0.207 0.000 0.777 327 G HN 0.294 nan 8.290 nan 0.000 0.539 328 T N 0.384 115.063 114.554 0.210 0.000 2.684 328 T HA -0.118 4.229 4.350 -0.005 0.000 0.267 328 T C 2.226 177.026 174.700 0.167 0.000 1.036 328 T CA 1.562 63.777 62.100 0.192 0.000 1.148 328 T CB -0.177 68.756 68.868 0.109 0.000 0.863 328 T HN 0.375 nan 8.240 nan 0.000 0.436 329 K N -0.080 120.391 120.400 0.118 0.000 2.103 329 K HA -0.249 4.068 4.320 -0.005 0.000 0.207 329 K C 2.254 178.894 176.600 0.067 0.000 1.048 329 K CA 1.745 58.080 56.287 0.078 0.000 0.930 329 K CB -0.201 32.335 32.500 0.060 0.000 0.716 329 K HN 0.432 nan 8.250 nan 0.000 0.444 330 H N -0.425 118.614 119.070 -0.053 0.000 2.321 330 H HA -0.110 4.442 4.556 -0.007 0.000 0.300 330 H C 1.467 176.631 175.328 -0.273 0.000 1.087 330 H CA 2.214 58.134 56.048 -0.212 0.000 1.319 330 H CB -0.327 29.209 29.762 -0.375 0.000 1.379 330 H HN 0.197 nan 8.280 nan 0.000 0.501 331 F N 0.425 120.274 119.950 -0.167 0.000 2.456 331 F HA 0.042 4.568 4.527 -0.002 0.000 0.298 331 F C 2.475 178.190 175.800 -0.140 0.000 1.104 331 F CA 0.820 58.685 58.000 -0.225 0.000 1.435 331 F CB 0.027 38.965 39.000 -0.104 0.000 1.078 331 F HN 0.270 nan 8.300 nan 0.000 0.546 332 E N 0.223 120.460 120.200 0.062 0.000 2.107 332 E HA -0.141 4.206 4.350 -0.005 0.000 0.191 332 E C 2.418 179.012 176.600 -0.011 0.000 0.982 332 E CA 0.847 57.270 56.400 0.038 0.000 0.809 332 E CB -0.158 29.570 29.700 0.047 0.000 0.756 332 E HN 0.353 nan 8.360 nan 0.000 0.459 333 A N 1.008 123.796 122.820 -0.053 0.000 1.898 333 A HA -0.142 4.175 4.320 -0.005 0.000 0.216 333 A C 2.142 179.674 177.584 -0.087 0.000 1.181 333 A CA 0.894 52.895 52.037 -0.062 0.000 0.620 333 A CB -0.585 18.377 19.000 -0.064 0.000 0.819 333 A HN 0.139 nan 8.150 nan 0.000 0.442 334 L N -0.717 120.408 121.223 -0.163 0.000 2.012 334 L HA -0.236 4.101 4.340 -0.005 0.000 0.210 334 L C 3.169 180.009 176.870 -0.049 0.000 1.073 334 L CA 1.176 55.931 54.840 -0.142 0.000 0.748 334 L CB -0.679 41.237 42.059 -0.238 0.000 0.891 334 L HN 0.461 nan 8.230 nan 0.000 0.431 335 A N 0.486 123.296 122.820 -0.016 0.000 1.873 335 A HA -0.308 4.009 4.320 -0.005 0.000 0.218 335 A C 1.997 179.584 177.584 0.004 0.000 1.193 335 A CA 2.614 54.659 52.037 0.013 0.000 0.629 335 A CB -0.999 18.020 19.000 0.031 0.000 0.826 335 A HN 0.510 nan 8.150 nan 0.000 0.447 336 N N -1.133 117.565 118.700 -0.004 0.000 2.166 336 N HA -0.129 4.608 4.740 -0.005 0.000 0.186 336 N C 1.971 177.471 175.510 -0.017 0.000 1.019 336 N CA 1.324 54.371 53.050 -0.006 0.000 0.856 336 N CB -0.156 38.327 38.487 -0.006 0.000 0.993 336 N HN 0.490 nan 8.380 nan 0.000 0.426 337 R N 0.347 120.832 120.500 -0.026 0.000 2.070 337 R HA -0.061 4.276 4.340 -0.005 0.000 0.232 337 R C 2.263 178.545 176.300 -0.030 0.000 1.138 337 R CA 1.524 57.605 56.100 -0.032 0.000 0.936 337 R CB -0.382 29.895 30.300 -0.037 0.000 0.839 337 R HN 0.207 nan 8.270 nan 0.000 0.429 338 A N 0.963 123.778 122.820 -0.007 0.000 1.898 338 A HA -0.090 4.227 4.320 -0.005 0.000 0.216 338 A C 2.338 179.918 177.584 -0.007 0.000 1.181 338 A CA 1.640 53.688 52.037 0.018 0.000 0.620 338 A CB -0.700 18.343 19.000 0.072 0.000 0.819 338 A HN 0.432 nan 8.150 nan 0.000 0.442 339 A N -1.026 121.795 122.820 0.001 0.000 1.972 339 A HA -0.079 4.238 4.320 -0.005 0.000 0.219 339 A C 2.251 179.823 177.584 -0.019 0.000 1.169 339 A CA 2.258 54.297 52.037 0.002 0.000 0.635 339 A CB -1.086 17.921 19.000 0.011 0.000 0.810 339 A HN 0.439 nan 8.150 nan 0.000 0.446 340 T N -0.489 114.043 114.554 -0.036 0.000 2.812 340 T HA -0.070 4.277 4.350 -0.005 0.000 0.264 340 T C 1.860 176.509 174.700 -0.085 0.000 1.042 340 T CA 1.787 63.859 62.100 -0.047 0.000 1.140 340 T CB -0.366 68.476 68.868 -0.044 0.000 0.870 340 T HN 0.528 nan 8.240 nan 0.000 0.445 341 T N 0.414 114.879 114.554 -0.148 0.000 3.035 341 T HA 0.274 4.621 4.350 -0.005 0.000 0.268 341 T C 1.508 176.002 174.700 -0.343 0.000 1.109 341 T CA 0.863 62.794 62.100 -0.281 0.000 1.119 341 T CB -0.288 68.320 68.868 -0.433 0.000 0.900 341 T HN 0.595 nan 8.240 nan 0.000 0.503 342 G N 1.583 110.275 108.800 -0.181 0.000 2.165 342 G HA2 -0.185 3.772 3.960 -0.005 0.000 0.226 342 G HA3 -0.185 3.772 3.960 -0.005 0.000 0.226 342 G C -0.290 174.677 174.900 0.112 0.000 1.035 342 G CA -0.461 44.617 45.100 -0.036 0.000 0.744 342 G HN 0.670 nan 8.290 nan 0.000 0.501 343 H N -1.240 117.853 119.070 0.038 0.000 2.492 343 H HA 0.557 5.110 4.556 -0.004 0.000 0.345 343 H C -0.014 175.329 175.328 0.025 0.000 1.136 343 H CA -1.230 54.840 56.048 0.037 0.000 1.202 343 H CB 2.293 32.070 29.762 0.026 0.000 1.524 343 H HN 0.143 nan 8.280 nan 0.000 0.506 344 V N 4.418 124.419 119.914 0.146 0.000 2.539 344 V HA 0.245 4.362 4.120 -0.005 0.000 0.292 344 V C 0.243 176.349 176.094 0.019 0.000 1.045 344 V CA -0.530 61.792 62.300 0.037 0.000 0.945 344 V CB 1.414 33.213 31.823 -0.039 0.000 0.993 344 V HN 0.590 nan 8.190 nan 0.000 0.464 345 I N 3.407 123.972 120.570 -0.008 0.000 2.411 345 I HA 0.403 4.570 4.170 -0.005 0.000 0.284 345 I C -0.946 175.145 176.117 -0.043 0.000 1.012 345 I CA -0.429 60.871 61.300 -0.000 0.000 1.119 345 I CB 1.602 39.612 38.000 0.016 0.000 1.261 345 I HN 0.559 nan 8.210 nan 0.000 0.448 346 D N 7.014 127.397 120.400 -0.029 0.000 2.181 346 D HA 0.509 5.146 4.640 -0.005 0.000 0.248 346 D C -0.351 175.849 176.300 -0.167 0.000 1.020 346 D CA -0.193 53.736 54.000 -0.118 0.000 0.891 346 D CB 2.502 43.283 40.800 -0.030 0.000 1.187 346 D HN 0.129 nan 8.370 nan 0.000 0.443 347 I N 2.315 122.702 120.570 -0.306 0.000 2.410 347 I HA 0.199 4.366 4.170 -0.005 0.000 0.286 347 I C -0.997 174.949 176.117 -0.285 0.000 1.009 347 I CA -0.674 60.504 61.300 -0.203 0.000 1.111 347 I CB 0.691 38.595 38.000 -0.161 0.000 1.262 347 I HN 0.251 nan 8.210 nan 0.000 0.443 348 Y N 4.745 125.012 120.300 -0.054 0.000 2.388 348 Y HA 0.643 5.189 4.550 -0.005 0.000 0.328 348 Y C 0.499 176.483 175.900 0.140 0.000 0.963 348 Y CA -0.765 57.382 58.100 0.079 0.000 1.240 348 Y CB 1.686 40.197 38.460 0.086 0.000 1.118 348 Y HN 0.615 nan 8.280 nan 0.000 0.484 349 A N 2.722 125.623 122.820 0.134 0.000 2.287 349 A HA 0.751 5.068 4.320 -0.005 0.000 0.317 349 A C -1.029 176.399 177.584 -0.260 0.000 1.220 349 A CA -0.507 51.524 52.037 -0.011 0.000 0.835 349 A CB 0.319 19.284 19.000 -0.059 0.000 1.180 349 A HN 0.801 nan 8.150 nan 0.000 0.500 350 C N 2.249 121.215 119.300 -0.557 0.000 2.397 350 C HA 0.946 5.403 4.460 -0.005 0.000 0.325 350 C C 0.246 174.936 174.990 -0.500 0.000 1.201 350 C CA 0.344 58.893 59.018 -0.782 0.000 1.377 350 C CB 0.266 27.001 27.740 -1.675 0.000 2.038 350 C HN 1.458 nan 8.230 nan 0.000 0.457 351 A N 2.894 125.527 122.820 -0.311 0.000 2.550 351 A HA 0.586 4.903 4.320 -0.005 0.000 0.295 351 A C -0.200 177.297 177.584 -0.145 0.000 1.001 351 A CA -0.542 51.383 52.037 -0.188 0.000 0.660 351 A CB 0.145 19.068 19.000 -0.128 0.000 1.308 351 A HN 0.626 nan 8.150 nan 0.000 0.426 352 L N 0.410 121.572 121.223 -0.101 0.000 2.023 352 L HA 0.042 4.379 4.340 -0.005 0.000 0.205 352 L C 0.917 177.741 176.870 -0.076 0.000 1.073 352 L CA 0.844 55.636 54.840 -0.080 0.000 0.745 352 L CB -0.386 41.641 42.059 -0.054 0.000 0.900 352 L HN 0.700 nan 8.230 nan 0.000 0.435 353 D N 0.047 120.408 120.400 -0.066 0.000 2.372 353 D HA 0.060 4.697 4.640 -0.005 0.000 0.243 353 D C 0.252 176.501 176.300 -0.085 0.000 1.297 353 D CA -0.088 53.874 54.000 -0.062 0.000 0.958 353 D CB 0.386 41.159 40.800 -0.045 0.000 1.114 353 D HN 0.147 nan 8.370 nan 0.000 0.496 354 Q N -0.577 119.170 119.800 -0.088 0.000 2.500 354 Q HA 0.147 4.484 4.340 -0.005 0.000 0.215 354 Q C 0.544 176.484 176.000 -0.100 0.000 1.062 354 Q CA 0.096 55.831 55.803 -0.113 0.000 0.996 354 Q CB 0.673 29.333 28.738 -0.129 0.000 1.239 354 Q HN 0.359 nan 8.270 nan 0.000 0.578 355 T N -1.375 113.110 114.554 -0.115 0.000 2.964 355 T HA 0.239 4.586 4.350 -0.005 0.000 0.249 355 T C 0.535 175.174 174.700 -0.102 0.000 1.000 355 T CA 0.533 62.577 62.100 -0.093 0.000 0.992 355 T CB 0.523 69.333 68.868 -0.096 0.000 1.087 355 T HN 0.889 nan 8.240 nan 0.000 0.489 356 G N 1.137 109.854 108.800 -0.138 0.000 2.148 356 G HA2 -0.150 3.807 3.960 -0.005 0.000 0.157 356 G HA3 -0.150 3.807 3.960 -0.005 0.000 0.157 356 G C 0.865 175.634 174.900 -0.219 0.000 1.012 356 G CA 0.114 45.119 45.100 -0.159 0.000 0.677 356 G HN 0.434 nan 8.290 nan 0.000 0.506 357 L N -0.263 120.841 121.223 -0.199 0.000 2.079 357 L HA -0.113 4.224 4.340 -0.005 0.000 0.210 357 L C 2.867 179.627 176.870 -0.183 0.000 1.081 357 L CA 1.827 56.549 54.840 -0.197 0.000 0.752 357 L CB -0.424 41.544 42.059 -0.152 0.000 0.896 357 L HN 0.429 nan 8.230 nan 0.000 0.433 358 L N 0.246 121.362 121.223 -0.178 0.000 2.043 358 L HA -0.236 4.101 4.340 -0.005 0.000 0.212 358 L C 2.182 178.986 176.870 -0.110 0.000 1.075 358 L CA 1.926 56.675 54.840 -0.151 0.000 0.752 358 L CB -0.503 41.414 42.059 -0.238 0.000 0.891 358 L HN 0.162 nan 8.230 nan 0.000 0.432 359 E N -1.131 118.991 120.200 -0.129 0.000 2.285 359 E HA -0.039 4.308 4.350 -0.005 0.000 0.194 359 E C 1.990 178.503 176.600 -0.145 0.000 0.997 359 E CA 1.260 57.627 56.400 -0.055 0.000 0.845 359 E CB -0.174 29.545 29.700 0.031 0.000 0.782 359 E HN 0.552 nan 8.360 nan 0.000 0.491 360 M N 0.265 119.620 119.600 -0.409 0.000 2.492 360 M HA 0.083 4.560 4.480 -0.005 0.000 0.255 360 M C 1.749 177.914 176.300 -0.225 0.000 1.139 360 M CA 0.214 55.171 55.300 -0.571 0.000 1.096 360 M CB 0.048 32.115 32.600 -0.888 0.000 1.360 360 M HN -0.019 nan 8.290 nan 0.000 0.480 361 K N 0.380 120.689 120.400 -0.153 0.000 2.127 361 K HA -0.261 4.056 4.320 -0.005 0.000 0.212 361 K C 1.798 178.386 176.600 -0.021 0.000 1.050 361 K CA 2.143 58.382 56.287 -0.081 0.000 0.929 361 K CB -1.241 31.244 32.500 -0.026 0.000 0.715 361 K HN 0.307 nan 8.250 nan 0.000 0.457 362 C N 1.019 120.324 119.300 0.009 0.000 2.413 362 C HA -0.147 4.310 4.460 -0.005 0.000 0.277 362 C C 3.120 178.127 174.990 0.029 0.000 1.265 362 C CA 0.767 59.808 59.018 0.037 0.000 1.752 362 C CB -1.204 26.569 27.740 0.054 0.000 1.998 362 C HN 0.744 nan 8.230 nan 0.000 0.489 363 C N 1.154 120.465 119.300 0.019 0.000 2.388 363 C HA -0.122 4.335 4.460 -0.005 0.000 0.277 363 C C 0.399 175.386 174.990 -0.004 0.000 1.210 363 C CA 1.974 61.002 59.018 0.017 0.000 1.743 363 C CB -1.989 25.767 27.740 0.026 0.000 2.047 363 C HN 0.573 nan 8.230 nan 0.000 0.458 364 P HA -0.034 nan 4.420 nan 0.000 0.222 364 P C 0.621 177.953 177.300 0.053 0.000 1.153 364 P CA 1.439 64.525 63.100 -0.023 0.000 0.798 364 P CB -0.284 31.355 31.700 -0.101 0.000 0.796 365 N N 0.168 118.912 118.700 0.073 0.000 2.106 365 N HA -0.051 4.686 4.740 -0.005 0.000 0.188 365 N C 2.005 177.535 175.510 0.033 0.000 1.029 365 N CA 0.889 53.992 53.050 0.088 0.000 0.848 365 N CB -1.076 37.472 38.487 0.102 0.000 1.007 365 N HN 0.156 nan 8.380 nan 0.000 0.423 366 L N 0.684 121.926 121.223 0.032 0.000 2.005 366 L HA -0.055 4.282 4.340 -0.005 0.000 0.207 366 L C 1.043 177.917 176.870 0.007 0.000 1.072 366 L CA 0.911 55.767 54.840 0.026 0.000 0.744 366 L CB -0.721 41.357 42.059 0.032 0.000 0.895 366 L HN 0.321 nan 8.230 nan 0.000 0.433 367 T N -2.885 111.668 114.554 -0.001 0.000 2.766 367 T HA 0.191 4.538 4.350 -0.005 0.000 0.295 367 T C 0.830 175.493 174.700 -0.062 0.000 1.024 367 T CA -0.174 61.914 62.100 -0.020 0.000 1.018 367 T CB 1.246 70.106 68.868 -0.012 0.000 1.002 367 T HN 0.249 nan 8.240 nan 0.000 0.532 368 G N -0.149 108.579 108.800 -0.120 0.000 3.562 368 G HA2 0.487 4.444 3.960 -0.005 0.000 0.279 368 G HA3 0.487 4.444 3.960 -0.005 0.000 0.279 368 G C 0.622 175.347 174.900 -0.292 0.000 1.314 368 G CA -0.425 44.558 45.100 -0.195 0.000 1.189 368 G HN 1.041 nan 8.290 nan 0.000 0.562 369 G N -0.528 108.152 108.800 -0.200 0.000 2.636 369 G HA2 0.400 4.357 3.960 -0.005 0.000 0.246 369 G HA3 0.400 4.357 3.960 -0.005 0.000 0.246 369 G C -0.629 174.178 174.900 -0.155 0.000 1.216 369 G CA -0.563 44.389 45.100 -0.246 0.000 0.854 369 G HN 0.317 nan 8.290 nan 0.000 0.572 370 Y N -0.655 119.619 120.300 -0.043 0.000 2.335 370 Y HA 0.461 5.009 4.550 -0.004 0.000 0.323 370 Y C 0.723 176.499 175.900 -0.206 0.000 1.224 370 Y CA -0.678 57.430 58.100 0.012 0.000 1.241 370 Y CB 1.787 40.287 38.460 0.065 0.000 1.235 370 Y HN 0.297 nan 8.280 nan 0.000 0.492 371 M N 3.663 123.270 119.600 0.012 0.000 2.093 371 M HA 0.507 4.984 4.480 -0.005 0.000 0.297 371 M C -2.240 174.176 176.300 0.193 0.000 0.938 371 M CA -0.614 54.559 55.300 -0.212 0.000 0.920 371 M CB 0.850 32.976 32.600 -0.789 0.000 1.517 371 M HN 0.400 nan 8.290 nan 0.000 0.427 372 V N 6.085 126.065 119.914 0.111 0.000 2.495 372 V HA 0.584 4.701 4.120 -0.005 0.000 0.298 372 V C -0.526 175.633 176.094 0.109 0.000 1.031 372 V CA -0.575 61.878 62.300 0.255 0.000 0.871 372 V CB 1.964 34.012 31.823 0.376 0.000 0.988 372 V HN 0.958 nan 8.190 nan 0.000 0.432 373 M N 4.224 123.761 119.600 -0.106 0.000 2.326 373 M HA 0.819 5.296 4.480 -0.005 0.000 0.306 373 M C -0.306 175.818 176.300 -0.293 0.000 1.054 373 M CA -0.110 54.992 55.300 -0.330 0.000 0.922 373 M CB 1.946 34.119 32.600 -0.711 0.000 1.632 373 M HN 0.823 nan 8.290 nan 0.000 0.436 374 G N 2.245 110.902 108.800 -0.238 0.000 2.721 374 G HA2 0.339 4.296 3.960 -0.005 0.000 0.296 374 G HA3 0.339 4.296 3.960 -0.005 0.000 0.296 374 G C -0.746 174.016 174.900 -0.231 0.000 1.383 374 G CA -0.425 44.557 45.100 -0.197 0.000 0.788 374 G HN 0.650 nan 8.290 nan 0.000 0.500 375 D N -0.822 119.472 120.400 -0.176 0.000 2.216 375 D HA 0.152 4.789 4.640 -0.005 0.000 0.208 375 D C 0.869 177.044 176.300 -0.209 0.000 0.960 375 D CA 1.412 55.314 54.000 -0.163 0.000 0.861 375 D CB 0.779 41.521 40.800 -0.097 0.000 0.985 375 D HN 0.306 nan 8.370 nan 0.000 0.493 376 S N -1.485 114.081 115.700 -0.224 0.000 2.537 376 S HA 0.254 4.721 4.470 -0.005 0.000 0.271 376 S C -0.190 174.252 174.600 -0.264 0.000 1.148 376 S CA -0.668 57.383 58.200 -0.248 0.000 0.868 376 S CB 0.321 63.467 63.200 -0.090 0.000 1.115 376 S HN -0.087 nan 8.310 nan 0.000 0.461 377 F N 2.231 122.059 119.950 -0.202 0.000 2.365 377 F HA 0.128 4.652 4.527 -0.005 0.000 0.300 377 F C 1.929 177.749 175.800 0.034 0.000 1.090 377 F CA 0.502 58.290 58.000 -0.353 0.000 1.408 377 F CB 0.055 38.722 39.000 -0.553 0.000 1.060 377 F HN 0.533 nan 8.300 nan 0.000 0.534 378 N N 0.842 119.640 118.700 0.164 0.000 2.843 378 N HA 0.016 4.753 4.740 -0.005 0.000 0.284 378 N C -0.528 175.058 175.510 0.127 0.000 1.274 378 N CA 0.063 53.200 53.050 0.146 0.000 1.045 378 N CB -0.447 38.091 38.487 0.084 0.000 1.370 378 N HN 0.156 nan 8.380 nan 0.000 0.525 379 T N -4.326 110.337 114.554 0.181 0.000 2.903 379 T HA 0.325 4.672 4.350 -0.005 0.000 0.299 379 T C 0.919 175.711 174.700 0.153 0.000 1.093 379 T CA -0.719 61.461 62.100 0.134 0.000 1.002 379 T CB 1.203 70.129 68.868 0.097 0.000 1.127 379 T HN -0.095 nan 8.240 nan 0.000 0.488 380 S N 0.552 116.307 115.700 0.092 0.000 2.383 380 S HA -0.095 4.372 4.470 -0.005 0.000 0.229 380 S C 1.893 176.531 174.600 0.063 0.000 1.030 380 S CA 1.167 59.408 58.200 0.069 0.000 1.002 380 S CB -0.668 62.553 63.200 0.034 0.000 0.829 380 S HN 0.655 nan 8.310 nan 0.000 0.467 381 L N 1.145 122.407 121.223 0.065 0.000 1.978 381 L HA -0.159 4.178 4.340 -0.005 0.000 0.218 381 L C 1.957 178.880 176.870 0.090 0.000 1.075 381 L CA 1.989 56.859 54.840 0.051 0.000 0.767 381 L CB -0.938 41.147 42.059 0.044 0.000 0.890 381 L HN 0.362 nan 8.230 nan 0.000 0.434 382 F N 0.077 120.066 119.950 0.066 0.000 2.060 382 F HA -0.145 4.378 4.527 -0.005 0.000 0.295 382 F C 2.361 178.295 175.800 0.223 0.000 1.120 382 F CA 1.848 59.934 58.000 0.143 0.000 1.205 382 F CB -0.489 38.600 39.000 0.148 0.000 0.986 382 F HN 0.016 nan 8.300 nan 0.000 0.470 383 K N 0.032 120.384 120.400 -0.080 0.000 2.034 383 K HA -0.281 4.036 4.320 -0.005 0.000 0.214 383 K C 2.146 178.693 176.600 -0.088 0.000 1.051 383 K CA 2.343 58.564 56.287 -0.109 0.000 0.931 383 K CB -0.515 32.046 32.500 0.101 0.000 0.715 383 K HN 0.497 nan 8.250 nan 0.000 0.446 384 Q N -0.202 119.585 119.800 -0.023 0.000 2.119 384 Q HA -0.101 4.236 4.340 -0.005 0.000 0.201 384 Q C 2.130 178.141 176.000 0.018 0.000 0.972 384 Q CA 1.520 57.331 55.803 0.014 0.000 0.847 384 Q CB -0.060 28.698 28.738 0.034 0.000 0.903 384 Q HN 0.336 nan 8.270 nan 0.000 0.433 385 T N 0.821 115.364 114.554 -0.019 0.000 2.788 385 T HA -0.137 4.210 4.350 -0.005 0.000 0.268 385 T C 1.299 176.092 174.700 0.155 0.000 1.044 385 T CA 0.871 62.985 62.100 0.024 0.000 1.139 385 T CB -0.269 68.579 68.868 -0.034 0.000 0.867 385 T HN 0.212 nan 8.240 nan 0.000 0.454 386 F N 2.623 122.461 119.950 -0.186 0.000 2.146 386 F HA -0.083 4.440 4.527 -0.006 0.000 0.298 386 F C 2.501 178.390 175.800 0.148 0.000 1.096 386 F CA 1.239 59.186 58.000 -0.090 0.000 1.275 386 F CB -0.508 38.210 39.000 -0.471 0.000 1.008 386 F HN 0.267 nan 8.300 nan 0.000 0.480 387 Q N -0.408 119.375 119.800 -0.028 0.000 2.378 387 Q HA -0.075 4.262 4.340 -0.005 0.000 0.205 387 Q C 1.943 177.977 176.000 0.057 0.000 0.954 387 Q CA 0.678 56.471 55.803 -0.016 0.000 0.901 387 Q CB -0.539 28.200 28.738 0.002 0.000 0.981 387 Q HN 0.346 nan 8.270 nan 0.000 0.483 388 R N 0.718 121.258 120.500 0.067 0.000 2.115 388 R HA -0.046 4.291 4.340 -0.005 0.000 0.230 388 R C 2.200 178.430 176.300 -0.116 0.000 1.111 388 R CA 1.186 57.322 56.100 0.061 0.000 0.976 388 R CB -0.475 29.949 30.300 0.206 0.000 0.870 388 R HN 0.158 nan 8.270 nan 0.000 0.445 389 V N 0.767 120.560 119.914 -0.202 0.000 2.453 389 V HA -0.229 3.888 4.120 -0.005 0.000 0.252 389 V C 1.323 176.934 176.094 -0.805 0.000 1.068 389 V CA 1.704 63.639 62.300 -0.608 0.000 1.070 389 V CB -0.435 31.027 31.823 -0.601 0.000 0.664 389 V HN 0.167 nan 8.190 nan 0.000 0.461 390 F N -0.662 119.097 119.950 -0.318 0.000 2.639 390 F HA 0.238 4.761 4.527 -0.005 0.000 0.300 390 F C 1.230 177.051 175.800 0.035 0.000 1.109 390 F CA -0.378 57.424 58.000 -0.331 0.000 1.335 390 F CB -0.846 37.970 39.000 -0.307 0.000 1.014 390 F HN -0.100 nan 8.300 nan 0.000 0.537 391 T N 1.785 116.375 114.554 0.060 0.000 2.933 391 T HA 0.055 4.402 4.350 -0.005 0.000 0.306 391 T C 0.478 175.292 174.700 0.190 0.000 1.045 391 T CA 0.399 62.558 62.100 0.099 0.000 1.143 391 T CB 0.517 69.387 68.868 0.003 0.000 1.003 391 T HN 0.193 nan 8.240 nan 0.000 0.540 392 K N 1.585 122.086 120.400 0.169 0.000 2.280 392 K HA 0.492 4.809 4.320 -0.005 0.000 0.234 392 K C -0.279 176.371 176.600 0.085 0.000 1.028 392 K CA -1.043 55.336 56.287 0.153 0.000 0.882 392 K CB 0.953 33.515 32.500 0.103 0.000 1.194 392 K HN 0.686 nan 8.250 nan 0.000 0.458 393 D N -0.756 119.695 120.400 0.086 0.000 2.592 393 D HA 0.152 4.789 4.640 -0.005 0.000 0.259 393 D C 0.498 176.816 176.300 0.031 0.000 1.144 393 D CA -0.693 53.346 54.000 0.065 0.000 1.080 393 D CB 0.295 41.157 40.800 0.104 0.000 1.225 393 D HN 0.299 nan 8.370 nan 0.000 0.619 394 M N -0.460 119.131 119.600 -0.015 0.000 2.773 394 M HA -0.076 4.401 4.480 -0.005 0.000 0.247 394 M C 0.469 176.570 176.300 -0.331 0.000 1.047 394 M CA 1.136 56.346 55.300 -0.150 0.000 1.065 394 M CB -0.450 32.038 32.600 -0.187 0.000 1.414 394 M HN 0.335 nan 8.290 nan 0.000 0.548 395 H N -1.593 117.483 119.070 0.010 0.000 2.767 395 H HA 0.317 4.870 4.556 -0.005 0.000 0.260 395 H C 1.226 176.549 175.328 -0.008 0.000 1.172 395 H CA 0.480 56.530 56.048 0.003 0.000 1.048 395 H CB 0.540 30.310 29.762 0.013 0.000 1.697 395 H HN 0.375 nan 8.280 nan 0.000 0.606 396 G N 2.024 110.857 108.800 0.056 0.000 2.249 396 G HA2 -0.282 3.675 3.960 -0.005 0.000 0.273 396 G HA3 -0.282 3.675 3.960 -0.005 0.000 0.273 396 G C -0.012 174.867 174.900 -0.036 0.000 1.036 396 G CA 0.189 45.291 45.100 0.003 0.000 0.824 396 G HN 0.418 nan 8.290 nan 0.000 0.504 397 Q N -0.996 118.826 119.800 0.037 0.000 2.333 397 Q HA 0.537 4.874 4.340 -0.005 0.000 0.267 397 Q C 0.249 176.311 176.000 0.103 0.000 1.012 397 Q CA -0.999 54.813 55.803 0.015 0.000 0.824 397 Q CB 1.559 30.392 28.738 0.159 0.000 1.290 397 Q HN 0.322 nan 8.270 nan 0.000 0.449 398 F N 1.733 121.747 119.950 0.108 0.000 2.635 398 F HA -0.126 4.397 4.527 -0.005 0.000 0.379 398 F C 1.189 176.979 175.800 -0.017 0.000 1.094 398 F CA 0.308 58.349 58.000 0.069 0.000 1.300 398 F CB 0.391 39.478 39.000 0.145 0.000 1.035 398 F HN 0.306 nan 8.300 nan 0.000 0.581 399 K N 5.520 126.015 120.400 0.158 0.000 3.192 399 K HA 0.174 4.491 4.320 -0.005 0.000 0.269 399 K C -0.668 175.860 176.600 -0.120 0.000 1.270 399 K CA 0.062 56.343 56.287 -0.009 0.000 1.249 399 K CB -0.259 32.217 32.500 -0.039 0.000 1.528 399 K HN 0.510 nan 8.250 nan 0.000 0.360 400 M N -2.021 117.500 119.600 -0.131 0.000 2.501 400 M HA 0.552 5.029 4.480 -0.005 0.000 0.293 400 M C -0.280 175.789 176.300 -0.386 0.000 1.192 400 M CA -1.086 54.012 55.300 -0.335 0.000 0.886 400 M CB 2.125 34.469 32.600 -0.426 0.000 1.710 400 M HN 0.012 nan 8.290 nan 0.000 0.457 401 G N 1.487 109.947 108.800 -0.567 0.000 2.498 401 G HA2 0.868 4.825 3.960 -0.005 0.000 0.312 401 G HA3 0.868 4.825 3.960 -0.005 0.000 0.312 401 G C -1.925 172.675 174.900 -0.499 0.000 1.230 401 G CA -0.579 44.325 45.100 -0.325 0.000 0.968 401 G HN 0.581 nan 8.290 nan 0.000 0.481 402 F N -0.683 119.305 119.950 0.062 0.000 2.588 402 F HA 0.600 5.124 4.527 -0.006 0.000 0.314 402 F C 0.861 176.710 175.800 0.083 0.000 1.069 402 F CA -0.194 57.821 58.000 0.025 0.000 0.931 402 F CB 2.423 41.423 39.000 -0.001 0.000 1.260 402 F HN 0.965 nan 8.300 nan 0.000 0.465 403 G N 1.225 110.167 108.800 0.237 0.000 2.338 403 G HA2 -0.069 3.888 3.960 -0.005 0.000 0.296 403 G HA3 -0.069 3.888 3.960 -0.005 0.000 0.296 403 G C 0.342 175.341 174.900 0.164 0.000 1.040 403 G CA -0.042 45.160 45.100 0.170 0.000 1.004 403 G HN 1.230 nan 8.290 nan 0.000 0.509 404 G N -0.185 108.695 108.800 0.133 0.000 2.361 404 G HA2 0.517 4.474 3.960 -0.005 0.000 0.260 404 G HA3 0.517 4.474 3.960 -0.005 0.000 0.260 404 G C 0.133 175.120 174.900 0.145 0.000 1.261 404 G CA 0.481 45.672 45.100 0.151 0.000 0.897 404 G HN 0.533 nan 8.290 nan 0.000 0.499 405 T N 3.329 117.986 114.554 0.170 0.000 2.821 405 T HA 0.297 4.644 4.350 -0.005 0.000 0.307 405 T C -0.289 174.535 174.700 0.208 0.000 1.034 405 T CA -0.332 61.864 62.100 0.161 0.000 0.953 405 T CB 1.120 70.057 68.868 0.115 0.000 0.968 405 T HN 0.412 nan 8.240 nan 0.000 0.462 406 L N 3.670 125.057 121.223 0.274 0.000 2.275 406 L HA 0.614 4.951 4.340 -0.005 0.000 0.288 406 L C -0.105 177.008 176.870 0.405 0.000 1.046 406 L CA -0.033 55.024 54.840 0.361 0.000 0.805 406 L CB 0.826 43.133 42.059 0.412 0.000 1.193 406 L HN 0.583 nan 8.230 nan 0.000 0.426 407 E N 5.084 125.470 120.200 0.309 0.000 2.256 407 E HA 0.488 4.835 4.350 -0.005 0.000 0.268 407 E C -1.561 175.146 176.600 0.179 0.000 0.877 407 E CA -0.625 55.907 56.400 0.220 0.000 0.757 407 E CB 1.615 31.369 29.700 0.089 0.000 1.183 407 E HN 0.691 nan 8.360 nan 0.000 0.418 408 I N 4.067 124.744 120.570 0.179 0.000 2.406 408 I HA 0.335 4.502 4.170 -0.005 0.000 0.290 408 I C -0.376 175.692 176.117 -0.082 0.000 0.999 408 I CA -0.958 60.338 61.300 -0.006 0.000 1.124 408 I CB 1.449 39.470 38.000 0.035 0.000 1.289 408 I HN 0.143 nan 8.210 nan 0.000 0.441 409 K N 4.796 125.057 120.400 -0.232 0.000 2.235 409 K HA 0.558 4.875 4.320 -0.005 0.000 0.266 409 K C -0.263 176.197 176.600 -0.232 0.000 0.980 409 K CA -0.475 55.591 56.287 -0.369 0.000 0.849 409 K CB 1.996 34.014 32.500 -0.804 0.000 1.098 409 K HN 0.761 nan 8.250 nan 0.000 0.445 410 T N -1.828 112.722 114.554 -0.007 0.000 2.916 410 T HA 0.435 4.782 4.350 -0.005 0.000 0.292 410 T C 0.263 175.207 174.700 0.407 0.000 1.055 410 T CA -0.699 61.540 62.100 0.233 0.000 1.009 410 T CB 1.369 70.329 68.868 0.154 0.000 1.118 410 T HN 0.262 nan 8.240 nan 0.000 0.497 411 S N 0.583 116.523 115.700 0.399 0.000 2.580 411 S HA 0.114 4.581 4.470 -0.005 0.000 0.261 411 S C 1.922 176.688 174.600 0.276 0.000 1.366 411 S CA -0.427 57.967 58.200 0.323 0.000 0.996 411 S CB 0.369 63.743 63.200 0.290 0.000 0.902 411 S HN 0.915 nan 8.310 nan 0.000 0.566 412 R N 1.097 121.742 120.500 0.242 0.000 2.120 412 R HA -0.108 4.229 4.340 -0.005 0.000 0.234 412 R C 0.905 177.304 176.300 0.164 0.000 1.123 412 R CA 1.625 57.837 56.100 0.186 0.000 0.975 412 R CB -0.458 29.942 30.300 0.166 0.000 0.866 412 R HN 0.505 nan 8.270 nan 0.000 0.446 413 E N 0.939 121.256 120.200 0.195 0.000 2.478 413 E HA 0.108 4.455 4.350 -0.005 0.000 0.198 413 E C 0.054 176.782 176.600 0.214 0.000 1.046 413 E CA 0.576 57.072 56.400 0.160 0.000 0.870 413 E CB 0.034 29.791 29.700 0.095 0.000 0.818 413 E HN 0.452 nan 8.360 nan 0.000 0.527 414 I N 0.191 120.895 120.570 0.224 0.000 2.603 414 I HA 0.370 4.537 4.170 -0.005 0.000 0.300 414 I C -0.009 176.209 176.117 0.167 0.000 1.017 414 I CA -0.968 60.441 61.300 0.181 0.000 1.098 414 I CB 1.961 40.033 38.000 0.120 0.000 1.279 414 I HN -0.260 nan 8.210 nan 0.000 0.437 415 K N 4.735 125.241 120.400 0.176 0.000 2.443 415 K HA 0.672 4.989 4.320 -0.005 0.000 0.251 415 K C -1.339 175.389 176.600 0.214 0.000 0.972 415 K CA -0.816 55.573 56.287 0.169 0.000 0.833 415 K CB 3.015 35.587 32.500 0.120 0.000 1.317 415 K HN 0.438 nan 8.250 nan 0.000 0.441 416 I N 1.461 122.132 120.570 0.168 0.000 2.336 416 I HA 0.102 4.270 4.170 -0.005 0.000 0.292 416 I C 0.836 176.997 176.117 0.074 0.000 0.991 416 I CA -0.036 61.324 61.300 0.100 0.000 1.227 416 I CB 1.856 39.947 38.000 0.152 0.000 1.366 416 I HN 0.633 nan 8.210 nan 0.000 0.466 417 S N 3.614 119.332 115.700 0.030 0.000 2.371 417 S HA 0.313 4.780 4.470 -0.005 0.000 0.221 417 S C 0.690 175.312 174.600 0.038 0.000 1.036 417 S CA 0.624 58.851 58.200 0.045 0.000 0.965 417 S CB 0.301 63.536 63.200 0.059 0.000 0.845 417 S HN 0.935 nan 8.310 nan 0.000 0.475 418 G N -0.317 108.497 108.800 0.023 0.000 2.321 418 G HA2 0.527 4.484 3.960 -0.005 0.000 0.298 418 G HA3 0.527 4.484 3.960 -0.005 0.000 0.298 418 G C -1.887 172.987 174.900 -0.043 0.000 1.385 418 G CA -0.300 44.822 45.100 0.036 0.000 0.856 418 G HN 0.465 nan 8.290 nan 0.000 0.584 419 A N -0.608 122.130 122.820 -0.137 0.000 2.380 419 A HA 0.935 5.252 4.320 -0.005 0.000 0.315 419 A C -0.713 176.737 177.584 -0.225 0.000 1.101 419 A CA -0.719 51.155 52.037 -0.272 0.000 0.771 419 A CB 1.254 19.826 19.000 -0.713 0.000 1.287 419 A HN 1.008 nan 8.150 nan 0.000 0.436 420 I N 0.791 121.260 120.570 -0.169 0.000 2.499 420 I HA 0.676 4.843 4.170 -0.005 0.000 0.288 420 I C 0.400 176.423 176.117 -0.156 0.000 1.048 420 I CA 0.008 61.195 61.300 -0.188 0.000 1.062 420 I CB 2.245 40.149 38.000 -0.160 0.000 1.238 420 I HN 1.153 nan 8.210 nan 0.000 0.426 421 G N 6.424 115.144 108.800 -0.135 0.000 2.369 421 G HA2 0.082 4.039 3.960 -0.005 0.000 0.295 421 G HA3 0.082 4.039 3.960 -0.005 0.000 0.295 421 G C -3.228 171.606 174.900 -0.111 0.000 1.298 421 G CA -0.911 44.105 45.100 -0.142 0.000 0.940 421 G HN 0.351 nan 8.290 nan 0.000 0.536 422 P HA 0.439 nan 4.420 nan 0.000 0.263 422 P C 0.230 177.489 177.300 -0.068 0.000 1.247 422 P CA 0.832 63.874 63.100 -0.097 0.000 0.876 422 P CB -0.358 31.257 31.700 -0.142 0.000 0.928 423 C N 1.368 120.658 119.300 -0.016 0.000 3.034 423 C HA 0.620 5.077 4.460 -0.005 0.000 0.336 423 C C -1.555 173.493 174.990 0.096 0.000 1.304 423 C CA -0.692 58.351 59.018 0.041 0.000 1.197 423 C CB 0.972 28.740 27.740 0.047 0.000 1.373 423 C HN 0.308 nan 8.230 nan 0.000 0.459 424 V N 1.543 121.545 119.914 0.148 0.000 2.841 424 V HA 0.728 4.845 4.120 -0.005 0.000 0.310 424 V C 0.336 176.525 176.094 0.158 0.000 1.090 424 V CA 0.006 62.386 62.300 0.134 0.000 0.930 424 V CB 1.863 33.726 31.823 0.068 0.000 1.014 424 V HN 1.263 nan 8.190 nan 0.000 0.425 425 S N 3.031 118.789 115.700 0.098 0.000 2.549 425 S HA 0.381 4.848 4.470 -0.005 0.000 0.279 425 S C 0.420 174.953 174.600 -0.110 0.000 1.321 425 S CA -0.341 57.818 58.200 -0.068 0.000 1.054 425 S CB 0.301 63.465 63.200 -0.061 0.000 0.899 425 S HN 0.619 nan 8.310 nan 0.000 0.497 426 L N 3.991 125.086 121.223 -0.212 0.000 2.685 426 L HA 0.261 4.598 4.340 -0.005 0.000 0.233 426 L C 0.887 177.661 176.870 -0.161 0.000 1.173 426 L CA -0.137 54.613 54.840 -0.150 0.000 0.961 426 L CB -0.944 41.026 42.059 -0.148 0.000 1.217 426 L HN 0.883 nan 8.230 nan 0.000 0.478 427 N N 1.124 119.719 118.700 -0.175 0.000 2.702 427 N HA -0.209 4.528 4.740 -0.005 0.000 0.255 427 N C 0.249 175.673 175.510 -0.143 0.000 0.983 427 N CA 0.744 53.709 53.050 -0.142 0.000 0.768 427 N CB -0.403 38.033 38.487 -0.086 0.000 0.918 427 N HN 0.524 nan 8.380 nan 0.000 0.540 428 S N -0.675 114.906 115.700 -0.199 0.000 2.610 428 S HA 0.592 5.059 4.470 -0.005 0.000 0.273 428 S C -0.110 174.404 174.600 -0.142 0.000 1.274 428 S CA -0.555 57.547 58.200 -0.164 0.000 1.023 428 S CB 1.859 64.942 63.200 -0.195 0.000 0.962 428 S HN 0.165 nan 8.310 nan 0.000 0.523 429 K N 0.823 121.164 120.400 -0.099 0.000 2.316 429 K HA 0.834 5.151 4.320 -0.005 0.000 0.251 429 K C 0.037 176.603 176.600 -0.058 0.000 0.934 429 K CA -0.453 55.790 56.287 -0.073 0.000 0.802 429 K CB 1.680 34.149 32.500 -0.052 0.000 1.171 429 K HN 1.050 nan 8.250 nan 0.000 0.426 430 G N 1.190 109.964 108.800 -0.044 0.000 2.506 430 G HA2 0.319 4.276 3.960 -0.005 0.000 0.292 430 G HA3 0.319 4.276 3.960 -0.005 0.000 0.292 430 G C -2.428 172.468 174.900 -0.006 0.000 1.425 430 G CA -0.784 44.300 45.100 -0.027 0.000 0.788 430 G HN 0.258 nan 8.290 nan 0.000 0.490 431 P HA 0.092 nan 4.420 nan 0.000 0.239 431 P C 1.371 178.698 177.300 0.044 0.000 1.184 431 P CA 0.457 63.573 63.100 0.027 0.000 0.760 431 P CB 0.099 31.819 31.700 0.033 0.000 0.884 432 C N -0.649 118.674 119.300 0.039 0.000 2.485 432 C HA 0.085 4.542 4.460 -0.005 0.000 0.277 432 C C 1.384 176.418 174.990 0.073 0.000 1.376 432 C CA -0.081 58.977 59.018 0.066 0.000 1.759 432 C CB -0.614 27.160 27.740 0.055 0.000 1.970 432 C HN 0.043 nan 8.230 nan 0.000 0.509 433 V N 2.096 122.034 119.914 0.040 0.000 2.585 433 V HA 0.210 4.327 4.120 -0.005 0.000 0.296 433 V C 0.490 176.613 176.094 0.048 0.000 1.035 433 V CA 0.569 62.892 62.300 0.037 0.000 1.084 433 V CB 1.070 32.892 31.823 -0.002 0.000 0.953 433 V HN 0.471 nan 8.190 nan 0.000 0.483 434 S N 2.895 118.631 115.700 0.060 0.000 2.713 434 S HA 0.308 4.775 4.470 -0.005 0.000 0.283 434 S C 0.971 175.596 174.600 0.042 0.000 1.161 434 S CA -0.631 57.604 58.200 0.058 0.000 0.999 434 S CB 1.404 64.648 63.200 0.073 0.000 1.039 434 S HN 0.776 nan 8.310 nan 0.000 0.548 435 E N 1.588 121.812 120.200 0.040 0.000 2.076 435 E HA -0.050 4.297 4.350 -0.005 0.000 0.190 435 E C 0.534 177.152 176.600 0.029 0.000 0.979 435 E CA 0.555 56.973 56.400 0.031 0.000 0.807 435 E CB -0.420 29.298 29.700 0.030 0.000 0.761 435 E HN 0.724 nan 8.360 nan 0.000 0.454 436 N N 2.244 120.966 118.700 0.036 0.000 2.402 436 N HA -0.010 4.727 4.740 -0.005 0.000 0.259 436 N C -0.533 174.989 175.510 0.019 0.000 1.167 436 N CA -0.075 52.992 53.050 0.029 0.000 0.949 436 N CB 0.335 38.847 38.487 0.042 0.000 1.212 436 N HN 0.056 nan 8.380 nan 0.000 0.493 437 E N 3.449 123.654 120.200 0.008 0.000 2.227 437 E HA 0.320 4.667 4.350 -0.005 0.000 0.282 437 E C -0.931 175.644 176.600 -0.043 0.000 1.015 437 E CA -0.581 55.818 56.400 -0.000 0.000 0.823 437 E CB 1.087 30.795 29.700 0.013 0.000 1.081 437 E HN 0.324 nan 8.360 nan 0.000 0.396 438 I N 3.111 123.622 120.570 -0.097 0.000 2.509 438 I HA 0.430 4.597 4.170 -0.005 0.000 0.293 438 I C 1.011 176.930 176.117 -0.330 0.000 1.020 438 I CA 0.304 61.458 61.300 -0.244 0.000 1.088 438 I CB 1.556 39.300 38.000 -0.426 0.000 1.267 438 I HN 0.961 nan 8.210 nan 0.000 0.430 439 G N 4.563 113.022 108.800 -0.569 0.000 2.651 439 G HA2 -0.272 3.685 3.960 -0.005 0.000 0.315 439 G HA3 -0.272 3.685 3.960 -0.005 0.000 0.315 439 G C 0.175 174.916 174.900 -0.265 0.000 1.258 439 G CA 0.400 44.956 45.100 -0.907 0.000 1.002 439 G HN 0.606 nan 8.290 nan 0.000 0.551 440 T N 2.220 116.688 114.554 -0.144 0.000 3.162 440 T HA 0.601 4.948 4.350 -0.005 0.000 0.316 440 T C 0.735 175.579 174.700 0.239 0.000 1.182 440 T CA 0.679 62.828 62.100 0.082 0.000 1.015 440 T CB 0.530 69.492 68.868 0.156 0.000 1.089 440 T HN 1.200 nan 8.240 nan 0.000 0.646 441 G N 0.246 109.141 108.800 0.158 0.000 3.262 441 G HA2 0.615 4.572 3.960 -0.005 0.000 0.229 441 G HA3 0.615 4.572 3.960 -0.005 0.000 0.229 441 G C 0.688 175.649 174.900 0.102 0.000 1.280 441 G CA -0.279 44.948 45.100 0.211 0.000 0.951 441 G HN 0.862 nan 8.290 nan 0.000 0.589 442 G N -1.814 107.030 108.800 0.074 0.000 2.153 442 G HA2 0.063 4.020 3.960 -0.005 0.000 0.252 442 G HA3 0.063 4.020 3.960 -0.005 0.000 0.252 442 G C 0.337 175.198 174.900 -0.065 0.000 0.994 442 G CA 1.539 46.645 45.100 0.008 0.000 0.698 442 G HN 1.575 nan 8.290 nan 0.000 0.521 443 T N -2.787 111.692 114.554 -0.125 0.000 2.812 443 T HA 0.513 4.860 4.350 -0.005 0.000 0.294 443 T C 0.686 175.049 174.700 -0.561 0.000 1.159 443 T CA 0.385 62.253 62.100 -0.386 0.000 1.008 443 T CB 1.329 69.814 68.868 -0.639 0.000 1.289 443 T HN 0.452 nan 8.240 nan 0.000 0.514 444 C N 0.936 119.845 119.300 -0.651 0.000 3.336 444 C HA 0.476 4.933 4.460 -0.005 0.000 0.291 444 C C 0.288 174.891 174.990 -0.646 0.000 1.363 444 C CA -0.272 58.452 59.018 -0.490 0.000 1.737 444 C CB -0.637 26.993 27.740 -0.184 0.000 2.274 444 C HN 0.683 nan 8.230 nan 0.000 0.663 445 Q N -0.310 118.917 119.800 -0.955 0.000 2.347 445 Q HA 0.398 4.735 4.340 -0.005 0.000 0.271 445 Q C -1.509 174.072 176.000 -0.697 0.000 1.064 445 Q CA -0.143 55.349 55.803 -0.519 0.000 0.800 445 Q CB 2.212 30.807 28.738 -0.239 0.000 1.304 445 Q HN 0.476 nan 8.270 nan 0.000 0.438 446 W N 1.733 123.047 121.300 0.023 0.000 2.915 446 W HA 0.430 5.088 4.660 -0.004 0.000 0.337 446 W C -0.237 176.296 176.519 0.024 0.000 1.102 446 W CA -0.682 56.674 57.345 0.017 0.000 1.224 446 W CB 2.208 31.679 29.460 0.019 0.000 1.416 446 W HN 0.494 nan 8.180 nan 0.000 0.503 447 K N 1.588 122.107 120.400 0.198 0.000 2.098 447 K HA 0.614 4.931 4.320 -0.005 0.000 0.261 447 K C -0.790 175.882 176.600 0.120 0.000 0.987 447 K CA -0.184 56.180 56.287 0.129 0.000 0.916 447 K CB 0.877 33.419 32.500 0.070 0.000 1.039 447 K HN 0.370 nan 8.250 nan 0.000 0.455 448 I N 4.384 125.000 120.570 0.077 0.000 2.787 448 I HA 0.142 4.309 4.170 -0.005 0.000 0.275 448 I C 0.262 176.374 176.117 -0.010 0.000 1.371 448 I CA -0.439 60.871 61.300 0.017 0.000 0.949 448 I CB 0.653 38.644 38.000 -0.016 0.000 1.407 448 I HN 0.722 nan 8.210 nan 0.000 0.557 449 C N 2.318 121.620 119.300 0.004 0.000 2.391 449 C HA -0.079 4.378 4.460 -0.005 0.000 0.276 449 C C 1.436 176.395 174.990 -0.052 0.000 1.191 449 C CA 1.248 60.278 59.018 0.020 0.000 1.808 449 C CB -1.113 26.647 27.740 0.033 0.000 2.095 449 C HN 0.843 nan 8.230 nan 0.000 0.478 450 G N -0.033 108.670 108.800 -0.163 0.000 2.666 450 G HA2 0.643 4.600 3.960 -0.005 0.000 0.303 450 G HA3 0.643 4.600 3.960 -0.005 0.000 0.303 450 G C -1.314 173.366 174.900 -0.366 0.000 1.412 450 G CA -0.222 44.670 45.100 -0.346 0.000 0.979 450 G HN 0.286 nan 8.290 nan 0.000 0.507 451 L N 0.264 121.222 121.223 -0.443 0.000 2.424 451 L HA 0.941 5.278 4.340 -0.005 0.000 0.258 451 L C 0.039 176.656 176.870 -0.422 0.000 0.995 451 L CA -1.692 52.911 54.840 -0.395 0.000 0.821 451 L CB 1.310 43.155 42.059 -0.356 0.000 1.383 451 L HN 0.658 nan 8.230 nan 0.000 0.410 452 S N -1.117 114.380 115.700 -0.337 0.000 2.704 452 S HA 0.825 5.292 4.470 -0.005 0.000 0.296 452 S C -2.475 171.969 174.600 -0.261 0.000 1.138 452 S CA -1.444 56.588 58.200 -0.280 0.000 0.875 452 S CB 1.818 64.900 63.200 -0.196 0.000 1.151 452 S HN 0.545 nan 8.310 nan 0.000 0.500 453 P HA 0.119 nan 4.420 nan 0.000 0.236 453 P C 0.698 177.882 177.300 -0.193 0.000 1.172 453 P CA 0.882 63.868 63.100 -0.191 0.000 0.759 453 P CB -0.092 31.530 31.700 -0.130 0.000 0.843 454 T N -2.671 111.771 114.554 -0.186 0.000 3.000 454 T HA 0.043 4.390 4.350 -0.005 0.000 0.248 454 T C 0.571 175.141 174.700 -0.217 0.000 1.034 454 T CA 0.311 62.308 62.100 -0.172 0.000 1.060 454 T CB -0.431 68.377 68.868 -0.100 0.000 0.983 454 T HN 0.047 nan 8.240 nan 0.000 0.482 455 T N 3.462 117.875 114.554 -0.235 0.000 2.819 455 T HA 0.075 4.422 4.350 -0.005 0.000 0.282 455 T C -0.101 174.410 174.700 -0.315 0.000 1.013 455 T CA 0.675 62.618 62.100 -0.262 0.000 1.159 455 T CB 0.108 68.809 68.868 -0.277 0.000 1.007 455 T HN 0.089 nan 8.240 nan 0.000 0.514 456 T N 5.629 120.001 114.554 -0.303 0.000 2.864 456 T HA 0.387 4.734 4.350 -0.005 0.000 0.299 456 T C -0.120 174.403 174.700 -0.294 0.000 1.011 456 T CA -0.849 61.054 62.100 -0.328 0.000 0.975 456 T CB 0.635 69.307 68.868 -0.326 0.000 0.962 456 T HN 0.233 nan 8.240 nan 0.000 0.448 457 L N 2.347 123.408 121.223 -0.269 0.000 2.439 457 L HA 0.817 5.154 4.340 -0.005 0.000 0.259 457 L C 0.552 177.287 176.870 -0.225 0.000 1.129 457 L CA -0.626 54.080 54.840 -0.224 0.000 0.803 457 L CB 0.792 42.744 42.059 -0.179 0.000 1.161 457 L HN 0.722 nan 8.230 nan 0.000 0.462 458 A N 2.850 125.531 122.820 -0.232 0.000 2.319 458 A HA 0.705 5.022 4.320 -0.005 0.000 0.310 458 A C -0.766 176.612 177.584 -0.343 0.000 1.152 458 A CA -0.449 51.419 52.037 -0.281 0.000 0.783 458 A CB 0.817 19.717 19.000 -0.165 0.000 1.184 458 A HN 0.426 nan 8.150 nan 0.000 0.474 459 I N 2.816 123.097 120.570 -0.483 0.000 2.382 459 I HA 0.265 4.432 4.170 -0.005 0.000 0.286 459 I C -1.201 174.374 176.117 -0.903 0.000 1.002 459 I CA -0.608 60.327 61.300 -0.609 0.000 1.135 459 I CB 0.665 38.343 38.000 -0.536 0.000 1.288 459 I HN 0.546 nan 8.210 nan 0.000 0.448 460 Y N 6.264 126.212 120.300 -0.586 0.000 2.341 460 Y HA 0.483 5.029 4.550 -0.005 0.000 0.340 460 Y C -0.011 175.576 175.900 -0.522 0.000 0.997 460 Y CA -0.290 57.575 58.100 -0.390 0.000 1.149 460 Y CB 0.771 39.127 38.460 -0.173 0.000 1.171 460 Y HN 0.306 nan 8.280 nan 0.000 0.494 461 F N 0.893 120.885 119.950 0.069 0.000 2.509 461 F HA 0.595 5.119 4.527 -0.005 0.000 0.334 461 F C 0.066 175.891 175.800 0.042 0.000 1.060 461 F CA -1.160 56.854 58.000 0.023 0.000 0.997 461 F CB 1.511 40.458 39.000 -0.088 0.000 1.271 461 F HN 0.315 nan 8.300 nan 0.000 0.488 462 E N 0.167 120.504 120.200 0.229 0.000 2.321 462 E HA 0.456 4.803 4.350 -0.005 0.000 0.278 462 E C -1.921 174.752 176.600 0.123 0.000 0.902 462 E CA -0.630 55.859 56.400 0.150 0.000 0.758 462 E CB 2.522 32.299 29.700 0.129 0.000 1.213 462 E HN 0.381 nan 8.360 nan 0.000 0.426 463 V N 4.824 124.799 119.914 0.103 0.000 2.368 463 V HA 0.221 4.338 4.120 -0.005 0.000 0.266 463 V C 0.104 176.250 176.094 0.088 0.000 1.045 463 V CA -0.155 62.215 62.300 0.118 0.000 0.899 463 V CB 0.817 32.730 31.823 0.149 0.000 1.006 463 V HN 0.435 nan 8.190 nan 0.000 0.470 475 G N -0.204 108.739 108.800 0.239 0.000 2.757 475 G HA2 0.388 4.345 3.960 -0.005 0.000 0.638 475 G HA3 0.388 4.345 3.960 -0.005 0.000 0.638 475 G C -0.243 174.842 174.900 0.309 0.000 1.344 475 G CA 0.257 45.584 45.100 0.377 0.000 0.855 475 G HN 1.649 nan 8.290 nan 0.000 0.537 476 R N -1.875 118.573 120.500 -0.086 0.000 1.527 476 R HA 0.021 4.358 4.340 -0.005 0.000 0.409 476 R C 0.440 176.408 176.300 -0.554 0.000 1.220 476 R CA 0.952 56.829 56.100 -0.370 0.000 0.785 476 R CB -1.664 28.550 30.300 -0.143 0.000 2.676 476 R HN 2.330 nan 8.270 nan 0.000 0.498 477 G N 0.839 109.026 108.800 -1.020 0.000 2.412 477 G HA2 0.817 4.774 3.960 -0.005 0.000 0.318 477 G HA3 0.817 4.774 3.960 -0.005 0.000 0.318 477 G C -0.665 174.104 174.900 -0.217 0.000 1.146 477 G CA 0.189 44.917 45.100 -0.620 0.000 0.882 477 G HN 0.710 nan 8.290 nan 0.000 0.501 478 A N 0.770 123.567 122.820 -0.038 0.000 2.401 478 A HA 0.816 5.133 4.320 -0.005 0.000 0.310 478 A C -1.036 176.648 177.584 0.166 0.000 1.075 478 A CA -0.569 51.448 52.037 -0.033 0.000 0.746 478 A CB 1.450 20.263 19.000 -0.311 0.000 1.277 478 A HN 0.561 nan 8.150 nan 0.000 0.425 479 I N 0.882 121.570 120.570 0.196 0.000 2.607 479 I HA 0.404 4.571 4.170 -0.005 0.000 0.290 479 I C -0.539 175.637 176.117 0.097 0.000 1.129 479 I CA -0.154 61.199 61.300 0.088 0.000 1.042 479 I CB 1.733 39.641 38.000 -0.154 0.000 1.242 479 I HN 0.890 nan 8.210 nan 0.000 0.421 480 Q N 5.059 124.829 119.800 -0.050 0.000 2.325 480 Q HA 0.566 4.903 4.340 -0.005 0.000 0.270 480 Q C -1.947 173.929 176.000 -0.206 0.000 1.020 480 Q CA -0.512 55.284 55.803 -0.012 0.000 0.785 480 Q CB 1.814 30.546 28.738 -0.010 0.000 1.259 480 Q HN 0.435 nan 8.270 nan 0.000 0.452 481 F N 3.056 122.991 119.950 -0.025 0.000 2.385 481 F HA 0.373 4.896 4.527 -0.005 0.000 0.360 481 F C -0.284 175.565 175.800 0.082 0.000 1.122 481 F CA -0.711 57.236 58.000 -0.089 0.000 1.090 481 F CB 1.446 40.131 39.000 -0.525 0.000 1.150 481 F HN 0.198 nan 8.300 nan 0.000 0.472 482 V N 3.177 123.237 119.914 0.244 0.000 2.328 482 V HA 0.411 4.528 4.120 -0.005 0.000 0.278 482 V C -0.244 176.008 176.094 0.263 0.000 1.021 482 V CA -0.502 61.932 62.300 0.223 0.000 0.838 482 V CB 1.419 33.317 31.823 0.126 0.000 0.999 482 V HN 0.761 nan 8.190 nan 0.000 0.447 483 T N 5.601 120.331 114.554 0.293 0.000 2.815 483 T HA 0.458 4.805 4.350 -0.005 0.000 0.289 483 T C -0.442 174.435 174.700 0.296 0.000 1.000 483 T CA -0.506 61.774 62.100 0.300 0.000 0.958 483 T CB 1.113 70.171 68.868 0.318 0.000 0.944 483 T HN 0.651 nan 8.240 nan 0.000 0.442 484 Q N 2.628 122.573 119.800 0.243 0.000 2.282 484 Q HA 0.670 5.007 4.340 -0.005 0.000 0.260 484 Q C -1.105 175.051 176.000 0.259 0.000 0.964 484 Q CA -0.987 54.924 55.803 0.179 0.000 0.880 484 Q CB 1.975 30.774 28.738 0.102 0.000 1.286 484 Q HN 0.848 nan 8.270 nan 0.000 0.445 485 Y N -1.535 118.819 120.300 0.091 0.000 2.689 485 Y HA 0.322 4.869 4.550 -0.006 0.000 0.333 485 Y C -1.514 174.457 175.900 0.120 0.000 1.208 485 Y CA -1.370 56.786 58.100 0.094 0.000 1.055 485 Y CB 1.307 39.809 38.460 0.070 0.000 1.304 485 Y HN 0.513 nan 8.280 nan 0.000 0.455 486 Q N 2.893 122.865 119.800 0.287 0.000 2.296 486 Q HA 0.217 4.554 4.340 -0.005 0.000 0.257 486 Q C -0.796 175.445 176.000 0.402 0.000 0.942 486 Q CA -0.578 55.357 55.803 0.221 0.000 0.939 486 Q CB 0.549 29.419 28.738 0.220 0.000 1.198 486 Q HN 0.824 nan 8.270 nan 0.000 0.429 487 H N 2.328 121.488 119.070 0.150 0.000 2.603 487 H HA 0.101 4.654 4.556 -0.005 0.000 0.370 487 H C 0.380 175.880 175.328 0.288 0.000 1.225 487 H CA 0.489 56.704 56.048 0.278 0.000 1.410 487 H CB 1.448 31.268 29.762 0.097 0.000 1.495 487 H HN 0.850 nan 8.280 nan 0.000 0.602 488 S N 1.352 117.035 115.700 -0.028 0.000 2.383 488 S HA -0.203 4.264 4.470 -0.005 0.000 0.229 488 S C 2.209 176.973 174.600 0.273 0.000 1.030 488 S CA 1.433 59.770 58.200 0.228 0.000 1.002 488 S CB -0.231 63.071 63.200 0.170 0.000 0.829 488 S HN 0.741 nan 8.310 nan 0.000 0.467 489 S N 0.616 116.576 115.700 0.433 0.000 2.474 489 S HA 0.186 4.653 4.470 -0.005 0.000 0.235 489 S C 1.722 176.408 174.600 0.144 0.000 0.997 489 S CA 1.077 59.419 58.200 0.236 0.000 0.949 489 S CB -0.430 62.870 63.200 0.165 0.000 0.766 489 S HN 0.836 nan 8.310 nan 0.000 0.517 490 G N 0.201 109.105 108.800 0.173 0.000 2.232 490 G HA2 -0.219 3.738 3.960 -0.005 0.000 0.226 490 G HA3 -0.219 3.738 3.960 -0.005 0.000 0.226 490 G C -0.078 174.863 174.900 0.069 0.000 0.996 490 G CA -0.073 45.082 45.100 0.091 0.000 0.626 490 G HN 0.590 nan 8.290 nan 0.000 0.509 491 Q N 0.918 120.756 119.800 0.063 0.000 2.395 491 Q HA 0.372 4.709 4.340 -0.005 0.000 0.271 491 Q C 0.346 176.329 176.000 -0.029 0.000 1.026 491 Q CA 0.135 55.933 55.803 -0.008 0.000 0.900 491 Q CB 0.574 29.265 28.738 -0.079 0.000 1.266 491 Q HN 0.401 nan 8.270 nan 0.000 0.430 492 R N 2.458 122.922 120.500 -0.060 0.000 2.265 492 R HA 0.374 4.711 4.340 -0.005 0.000 0.314 492 R C -0.091 176.107 176.300 -0.170 0.000 1.053 492 R CA -0.197 55.844 56.100 -0.098 0.000 0.931 492 R CB 0.875 31.145 30.300 -0.049 0.000 1.024 492 R HN 0.445 nan 8.270 nan 0.000 0.457 493 R N 2.470 122.768 120.500 -0.337 0.000 2.854 493 R HA 0.572 4.909 4.340 -0.005 0.000 0.271 493 R C -0.425 175.743 176.300 -0.219 0.000 0.994 493 R CA -0.937 54.958 56.100 -0.341 0.000 0.945 493 R CB 1.979 31.945 30.300 -0.556 0.000 1.194 493 R HN 0.462 nan 8.270 nan 0.000 0.476 494 I N 1.976 122.538 120.570 -0.014 0.000 2.476 494 I HA 0.334 4.501 4.170 -0.005 0.000 0.281 494 I C -0.425 175.835 176.117 0.239 0.000 1.040 494 I CA -0.721 60.652 61.300 0.123 0.000 1.094 494 I CB 1.851 39.915 38.000 0.106 0.000 1.219 494 I HN 0.255 nan 8.210 nan 0.000 0.450 495 R N 4.422 125.087 120.500 0.276 0.000 2.357 495 R HA 0.682 5.019 4.340 -0.005 0.000 0.296 495 R C -1.185 175.286 176.300 0.284 0.000 1.052 495 R CA -0.210 56.048 56.100 0.263 0.000 0.988 495 R CB 1.304 31.765 30.300 0.269 0.000 1.025 495 R HN 0.389 nan 8.270 nan 0.000 0.469 496 V N 2.962 123.034 119.914 0.264 0.000 2.577 496 V HA 0.465 4.582 4.120 -0.005 0.000 0.303 496 V C -0.760 175.492 176.094 0.264 0.000 1.042 496 V CA -0.710 61.763 62.300 0.288 0.000 0.872 496 V CB 2.238 34.272 31.823 0.351 0.000 0.998 496 V HN 0.818 nan 8.190 nan 0.000 0.423 497 T N 2.758 117.500 114.554 0.313 0.000 2.890 497 T HA 0.447 4.794 4.350 -0.005 0.000 0.295 497 T C -0.287 174.617 174.700 0.341 0.000 0.993 497 T CA -0.405 61.883 62.100 0.313 0.000 0.979 497 T CB 1.434 70.515 68.868 0.354 0.000 0.967 497 T HN 0.642 nan 8.240 nan 0.000 0.441 498 T N 5.502 120.220 114.554 0.274 0.000 2.842 498 T HA 0.514 4.861 4.350 -0.005 0.000 0.308 498 T C 0.356 175.183 174.700 0.212 0.000 1.041 498 T CA -0.755 61.501 62.100 0.260 0.000 0.964 498 T CB 0.225 69.235 68.868 0.238 0.000 0.972 498 T HN 0.569 nan 8.240 nan 0.000 0.460 499 I N 0.383 121.093 120.570 0.235 0.000 2.822 499 I HA 0.993 5.160 4.170 -0.005 0.000 0.312 499 I C -0.601 175.537 176.117 0.035 0.000 1.011 499 I CA -1.584 59.808 61.300 0.152 0.000 1.105 499 I CB 1.143 39.298 38.000 0.258 0.000 1.291 499 I HN 0.623 nan 8.210 nan 0.000 0.474 500 A N 3.962 126.726 122.820 -0.092 0.000 2.488 500 A HA 0.851 5.168 4.320 -0.005 0.000 0.298 500 A C -0.844 176.481 177.584 -0.431 0.000 1.044 500 A CA -0.784 51.112 52.037 -0.235 0.000 0.693 500 A CB 1.694 20.595 19.000 -0.166 0.000 1.272 500 A HN 0.722 nan 8.150 nan 0.000 0.402 501 R N 1.546 121.555 120.500 -0.818 0.000 2.744 501 R HA 0.439 4.776 4.340 -0.005 0.000 0.279 501 R C -1.125 174.575 176.300 -1.000 0.000 0.977 501 R CA -0.964 54.484 56.100 -1.085 0.000 0.906 501 R CB 1.448 30.520 30.300 -2.047 0.000 1.197 501 R HN 0.808 nan 8.270 nan 0.000 0.463 502 N N 1.001 119.286 118.700 -0.691 0.000 2.513 502 N HA 0.057 4.794 4.740 -0.005 0.000 0.268 502 N C -0.399 174.894 175.510 -0.361 0.000 1.180 502 N CA 0.238 53.023 53.050 -0.441 0.000 0.948 502 N CB 0.566 38.907 38.487 -0.244 0.000 1.083 502 N HN 0.310 nan 8.380 nan 0.000 0.455 503 W N 0.872 122.104 121.300 -0.113 0.000 2.253 503 W HA 0.324 4.981 4.660 -0.005 0.000 0.322 503 W C 0.762 177.268 176.519 -0.023 0.000 1.342 503 W CA -0.792 56.545 57.345 -0.012 0.000 1.218 503 W CB 0.570 30.043 29.460 0.022 0.000 1.205 503 W HN 0.422 nan 8.180 nan 0.000 0.551 504 A N 3.910 126.901 122.820 0.286 0.000 2.546 504 A HA -0.008 4.309 4.320 -0.005 0.000 0.243 504 A C 0.087 177.741 177.584 0.116 0.000 1.063 504 A CA -0.253 51.871 52.037 0.145 0.000 0.757 504 A CB 0.003 19.079 19.000 0.126 0.000 0.991 504 A HN 0.570 nan 8.150 nan 0.000 0.503 505 D N 2.699 123.143 120.400 0.073 0.000 2.382 505 D HA 0.244 4.881 4.640 -0.005 0.000 0.259 505 D C 1.487 177.810 176.300 0.038 0.000 1.224 505 D CA 0.930 54.962 54.000 0.052 0.000 0.894 505 D CB 1.261 42.084 40.800 0.037 0.000 1.127 505 D HN 0.633 nan 8.370 nan 0.000 0.487 506 A N 3.842 126.679 122.820 0.028 0.000 1.997 506 A HA -0.245 4.072 4.320 -0.005 0.000 0.221 506 A C 1.535 179.125 177.584 0.010 0.000 1.172 506 A CA 1.385 53.430 52.037 0.014 0.000 0.645 506 A CB -0.219 18.782 19.000 0.001 0.000 0.813 506 A HN 0.614 nan 8.150 nan 0.000 0.454 507 Q N -0.584 119.224 119.800 0.012 0.000 2.239 507 Q HA 0.099 4.436 4.340 -0.005 0.000 0.219 507 Q C -0.083 175.924 176.000 0.012 0.000 0.901 507 Q CA 0.828 56.636 55.803 0.009 0.000 0.949 507 Q CB -0.055 28.687 28.738 0.008 0.000 1.038 507 Q HN 0.767 nan 8.270 nan 0.000 0.458 508 T N -5.196 109.367 114.554 0.016 0.000 4.326 508 T HA -0.030 4.317 4.350 -0.005 0.000 0.311 508 T C 1.058 175.774 174.700 0.026 0.000 0.899 508 T CA -0.474 61.638 62.100 0.020 0.000 0.760 508 T CB -0.110 68.773 68.868 0.025 0.000 1.075 508 T HN 0.038 nan 8.240 nan 0.000 0.708 509 Q N 0.983 120.798 119.800 0.026 0.000 2.114 509 Q HA -0.273 4.064 4.340 -0.005 0.000 0.218 509 Q C 1.729 177.752 176.000 0.038 0.000 1.064 509 Q CA 2.664 58.486 55.803 0.033 0.000 0.926 509 Q CB -0.505 28.247 28.738 0.023 0.000 1.067 509 Q HN 0.583 nan 8.270 nan 0.000 0.439 510 I N 0.472 121.058 120.570 0.028 0.000 2.394 510 I HA -0.244 3.923 4.170 -0.005 0.000 0.251 510 I C 2.336 178.515 176.117 0.102 0.000 1.136 510 I CA 1.370 62.699 61.300 0.049 0.000 1.425 510 I CB -0.419 37.572 38.000 -0.016 0.000 1.079 510 I HN 0.212 nan 8.210 nan 0.000 0.425 511 Q N 0.326 120.168 119.800 0.070 0.000 2.083 511 Q HA -0.119 4.218 4.340 -0.005 0.000 0.198 511 Q C 1.947 177.997 176.000 0.084 0.000 0.969 511 Q CA 1.234 57.087 55.803 0.082 0.000 0.838 511 Q CB -0.292 28.477 28.738 0.052 0.000 0.900 511 Q HN 0.527 nan 8.270 nan 0.000 0.436 512 N N 0.779 119.515 118.700 0.060 0.000 2.188 512 N HA -0.083 4.654 4.740 -0.005 0.000 0.184 512 N C 1.841 177.372 175.510 0.036 0.000 1.018 512 N CA 1.049 54.118 53.050 0.032 0.000 0.858 512 N CB -0.026 38.476 38.487 0.025 0.000 0.989 512 N HN 0.261 nan 8.380 nan 0.000 0.426 513 I N 1.264 121.883 120.570 0.083 0.000 2.202 513 I HA -0.174 3.993 4.170 -0.005 0.000 0.242 513 I C 2.297 178.586 176.117 0.286 0.000 1.091 513 I CA 0.823 62.193 61.300 0.116 0.000 1.368 513 I CB -0.275 37.727 38.000 0.004 0.000 1.058 513 I HN 0.032 nan 8.210 nan 0.000 0.410 514 A N 0.575 123.601 122.820 0.344 0.000 2.070 514 A HA -0.054 4.263 4.320 -0.005 0.000 0.220 514 A C 2.414 180.218 177.584 0.366 0.000 1.159 514 A CA 1.609 53.957 52.037 0.518 0.000 0.656 514 A CB -0.575 18.769 19.000 0.573 0.000 0.800 514 A HN 0.442 nan 8.150 nan 0.000 0.453 515 A N 0.038 122.928 122.820 0.118 0.000 2.072 515 A HA 0.080 4.397 4.320 -0.005 0.000 0.216 515 A C 2.196 179.548 177.584 -0.387 0.000 1.156 515 A CA 1.517 53.454 52.037 -0.167 0.000 0.701 515 A CB -0.542 18.258 19.000 -0.333 0.000 0.816 515 A HN 0.904 nan 8.150 nan 0.000 0.458 516 S N -1.370 114.240 115.700 -0.150 0.000 2.593 516 S HA 0.199 4.666 4.470 -0.005 0.000 0.217 516 S C 0.257 174.890 174.600 0.055 0.000 0.966 516 S CA -0.520 57.618 58.200 -0.104 0.000 0.914 516 S CB -0.628 62.567 63.200 -0.008 0.000 0.776 516 S HN 0.277 nan 8.310 nan 0.000 0.523 517 F N 3.595 123.424 119.950 -0.202 0.000 2.529 517 F HA 0.321 4.845 4.527 -0.005 0.000 0.365 517 F C 0.287 175.757 175.800 -0.550 0.000 1.102 517 F CA -0.777 56.826 58.000 -0.661 0.000 1.271 517 F CB 0.559 38.808 39.000 -1.251 0.000 1.120 517 F HN 0.068 nan 8.300 nan 0.000 0.579 518 D N 5.797 125.555 120.400 -1.070 0.000 2.485 518 D HA 0.089 4.726 4.640 -0.005 0.000 0.256 518 D C 0.918 176.541 176.300 -1.129 0.000 1.141 518 D CA -0.207 53.339 54.000 -0.757 0.000 0.942 518 D CB 0.715 41.272 40.800 -0.405 0.000 1.003 518 D HN 0.774 nan 8.370 nan 0.000 0.507 519 Q N 1.840 120.993 119.800 -1.077 0.000 2.096 519 Q HA -0.255 4.082 4.340 -0.005 0.000 0.208 519 Q C 1.054 176.949 176.000 -0.174 0.000 0.993 519 Q CA 1.471 56.880 55.803 -0.656 0.000 0.862 519 Q CB -0.184 28.507 28.738 -0.078 0.000 0.915 519 Q HN 0.467 nan 8.270 nan 0.000 0.416 520 E N 1.489 121.628 120.200 -0.102 0.000 2.023 520 E HA -0.210 4.137 4.350 -0.005 0.000 0.196 520 E C 2.269 178.737 176.600 -0.220 0.000 1.003 520 E CA 1.106 57.429 56.400 -0.128 0.000 0.809 520 E CB -0.344 29.282 29.700 -0.123 0.000 0.755 520 E HN 0.518 nan 8.360 nan 0.000 0.449 521 A N 1.630 124.297 122.820 -0.255 0.000 1.917 521 A HA -0.209 4.108 4.320 -0.005 0.000 0.219 521 A C 2.425 179.881 177.584 -0.213 0.000 1.182 521 A CA 2.046 53.939 52.037 -0.240 0.000 0.633 521 A CB -0.791 18.070 19.000 -0.231 0.000 0.819 521 A HN 0.314 nan 8.150 nan 0.000 0.448 522 A N -0.318 122.326 122.820 -0.294 0.000 1.898 522 A HA 0.186 4.503 4.320 -0.005 0.000 0.216 522 A C 2.521 180.193 177.584 0.147 0.000 1.181 522 A CA 2.039 54.005 52.037 -0.118 0.000 0.620 522 A CB -1.046 17.764 19.000 -0.316 0.000 0.819 522 A HN 1.109 nan 8.150 nan 0.000 0.442 523 A N 0.069 122.967 122.820 0.131 0.000 1.883 523 A HA -0.129 4.188 4.320 -0.005 0.000 0.217 523 A C 2.014 179.611 177.584 0.021 0.000 1.186 523 A CA 1.820 53.884 52.037 0.045 0.000 0.624 523 A CB -0.507 18.429 19.000 -0.106 0.000 0.822 523 A HN 0.402 nan 8.150 nan 0.000 0.444 524 I N -0.359 120.183 120.570 -0.046 0.000 2.353 524 I HA -0.148 4.019 4.170 -0.005 0.000 0.248 524 I C 2.410 178.544 176.117 0.029 0.000 1.119 524 I CA 1.071 62.357 61.300 -0.023 0.000 1.417 524 I CB -1.211 36.678 38.000 -0.186 0.000 1.078 524 I HN 0.284 nan 8.210 nan 0.000 0.421 525 L N -0.667 120.570 121.223 0.024 0.000 2.109 525 L HA -0.176 4.161 4.340 -0.005 0.000 0.207 525 L C 2.540 179.593 176.870 0.304 0.000 1.086 525 L CA 0.889 55.789 54.840 0.101 0.000 0.760 525 L CB -0.388 41.668 42.059 -0.005 0.000 0.910 525 L HN 0.155 nan 8.230 nan 0.000 0.437 526 M N -0.672 119.108 119.600 0.301 0.000 2.200 526 M HA -0.061 4.416 4.480 -0.005 0.000 0.265 526 M C 2.563 179.087 176.300 0.373 0.000 1.066 526 M CA 1.658 57.202 55.300 0.408 0.000 1.127 526 M CB -1.290 31.527 32.600 0.363 0.000 1.379 526 M HN 0.247 nan 8.290 nan 0.000 0.420 527 A N -0.175 122.798 122.820 0.255 0.000 1.902 527 A HA -0.179 4.138 4.320 -0.005 0.000 0.217 527 A C 2.342 180.085 177.584 0.266 0.000 1.181 527 A CA 1.722 53.884 52.037 0.210 0.000 0.623 527 A CB -0.560 18.544 19.000 0.174 0.000 0.818 527 A HN 0.334 nan 8.150 nan 0.000 0.443 528 R N -0.230 120.449 120.500 0.299 0.000 2.083 528 R HA -0.073 4.264 4.340 -0.005 0.000 0.237 528 R C 2.015 178.440 176.300 0.208 0.000 1.137 528 R CA 1.705 57.956 56.100 0.252 0.000 0.951 528 R CB -0.691 29.711 30.300 0.170 0.000 0.851 528 R HN 0.565 nan 8.270 nan 0.000 0.434 529 L N -0.702 120.644 121.223 0.204 0.000 2.046 529 L HA -0.153 4.184 4.340 -0.005 0.000 0.208 529 L C 2.452 179.365 176.870 0.071 0.000 1.077 529 L CA 1.370 56.255 54.840 0.076 0.000 0.747 529 L CB -0.592 41.482 42.059 0.024 0.000 0.896 529 L HN 0.321 nan 8.230 nan 0.000 0.432 530 A N 0.189 123.129 122.820 0.200 0.000 1.877 530 A HA -0.190 4.127 4.320 -0.005 0.000 0.216 530 A C 2.063 179.705 177.584 0.097 0.000 1.186 530 A CA 1.617 53.763 52.037 0.181 0.000 0.620 530 A CB -0.546 18.632 19.000 0.297 0.000 0.822 530 A HN 0.264 nan 8.150 nan 0.000 0.443 531 I N -1.730 118.908 120.570 0.113 0.000 2.286 531 I HA -0.190 3.977 4.170 -0.005 0.000 0.248 531 I C 2.263 178.436 176.117 0.093 0.000 1.115 531 I CA 1.056 62.411 61.300 0.093 0.000 1.392 531 I CB -0.858 37.203 38.000 0.101 0.000 1.065 531 I HN 0.526 nan 8.210 nan 0.000 0.418 532 Y N 1.622 121.922 120.300 -0.001 0.000 2.181 532 Y HA -0.192 4.354 4.550 -0.006 0.000 0.288 532 Y C 2.578 178.443 175.900 -0.060 0.000 1.146 532 Y CA 1.648 59.727 58.100 -0.034 0.000 1.164 532 Y CB -0.209 38.205 38.460 -0.076 0.000 0.982 532 Y HN 0.036 nan 8.280 nan 0.000 0.515 533 R N -0.482 119.917 120.500 -0.169 0.000 2.193 533 R HA 0.016 4.353 4.340 -0.005 0.000 0.213 533 R C 2.370 178.556 176.300 -0.190 0.000 1.055 533 R CA 0.712 56.660 56.100 -0.253 0.000 0.995 533 R CB -0.292 29.887 30.300 -0.203 0.000 0.893 533 R HN 0.402 nan 8.270 nan 0.000 0.459 534 A N 1.127 123.878 122.820 -0.115 0.000 1.855 534 A HA -0.126 4.191 4.320 -0.005 0.000 0.213 534 A C 1.736 179.262 177.584 -0.096 0.000 1.195 534 A CA 0.897 52.884 52.037 -0.084 0.000 0.610 534 A CB -0.220 18.753 19.000 -0.045 0.000 0.837 534 A HN 0.216 nan 8.150 nan 0.000 0.444 535 E N -0.729 119.418 120.200 -0.088 0.000 2.526 535 E HA -0.011 4.336 4.350 -0.005 0.000 0.198 535 E C -0.218 176.302 176.600 -0.133 0.000 1.091 535 E CA 0.738 57.104 56.400 -0.056 0.000 0.880 535 E CB 0.022 29.724 29.700 0.003 0.000 0.873 535 E HN 0.496 nan 8.360 nan 0.000 0.527 536 T N 0.487 114.906 114.554 -0.225 0.000 3.541 536 T HA -0.019 4.328 4.350 -0.005 0.000 0.309 536 T C -0.269 174.314 174.700 -0.195 0.000 0.973 536 T CA -0.420 61.517 62.100 -0.272 0.000 0.993 536 T CB 0.204 68.725 68.868 -0.579 0.000 1.206 536 T HN 0.302 nan 8.240 nan 0.000 0.489 542 V N 2.480 122.452 119.914 0.096 0.000 2.599 542 V HA -0.001 4.116 4.120 -0.005 0.000 0.245 542 V C 2.480 178.709 176.094 0.225 0.000 1.046 542 V CA 0.784 63.176 62.300 0.153 0.000 1.065 542 V CB -0.296 31.583 31.823 0.093 0.000 0.703 542 V HN 0.570 nan 8.190 nan 0.000 0.464 543 L N -0.436 120.873 121.223 0.144 0.000 2.131 543 L HA -0.187 4.150 4.340 -0.005 0.000 0.210 543 L C 2.730 179.682 176.870 0.137 0.000 1.092 543 L CA 1.426 56.342 54.840 0.128 0.000 0.759 543 L CB -0.460 41.645 42.059 0.077 0.000 0.903 543 L HN 0.250 nan 8.230 nan 0.000 0.435 544 R N -0.755 119.830 120.500 0.142 0.000 2.081 544 R HA -0.225 4.112 4.340 -0.005 0.000 0.235 544 R C 1.965 178.362 176.300 0.162 0.000 1.131 544 R CA 1.942 58.118 56.100 0.127 0.000 0.960 544 R CB -0.585 29.786 30.300 0.118 0.000 0.856 544 R HN 0.442 nan 8.270 nan 0.000 0.436 545 W N 0.088 121.423 121.300 0.060 0.000 2.358 545 W HA -0.156 4.502 4.660 -0.004 0.000 0.303 545 W C 1.456 178.036 176.519 0.101 0.000 1.208 545 W CA 0.894 58.284 57.345 0.075 0.000 1.274 545 W CB -0.386 29.116 29.460 0.070 0.000 1.138 545 W HN 0.063 nan 8.180 nan 0.000 0.515 546 L N 1.228 122.464 121.223 0.022 0.000 2.079 546 L HA -0.220 4.117 4.340 -0.005 0.000 0.210 546 L C 1.903 178.686 176.870 -0.146 0.000 1.081 546 L CA 2.234 56.965 54.840 -0.182 0.000 0.752 546 L CB -1.149 40.963 42.059 0.088 0.000 0.896 546 L HN -0.047 nan 8.230 nan 0.000 0.433 547 D N -1.003 119.374 120.400 -0.038 0.000 2.103 547 D HA -0.111 4.526 4.640 -0.005 0.000 0.199 547 D C 2.293 178.556 176.300 -0.063 0.000 0.978 547 D CA 0.912 54.907 54.000 -0.010 0.000 0.829 547 D CB -0.095 40.715 40.800 0.016 0.000 0.981 547 D HN 0.271 nan 8.370 nan 0.000 0.464 548 R N 0.416 120.865 120.500 -0.085 0.000 2.127 548 R HA -0.092 4.245 4.340 -0.005 0.000 0.238 548 R C 2.164 178.407 176.300 -0.095 0.000 1.134 548 R CA 0.938 56.994 56.100 -0.074 0.000 0.975 548 R CB -0.007 30.274 30.300 -0.033 0.000 0.865 548 R HN 0.195 nan 8.270 nan 0.000 0.447 549 Q N 0.209 119.889 119.800 -0.200 0.000 2.123 549 Q HA -0.042 4.295 4.340 -0.005 0.000 0.196 549 Q C 2.157 178.170 176.000 0.023 0.000 0.958 549 Q CA 0.726 56.444 55.803 -0.143 0.000 0.841 549 Q CB -0.358 28.156 28.738 -0.373 0.000 0.915 549 Q HN 0.221 nan 8.270 nan 0.000 0.455 550 L N 0.878 122.140 121.223 0.065 0.000 2.042 550 L HA -0.131 4.206 4.340 -0.005 0.000 0.210 550 L C 2.001 178.953 176.870 0.137 0.000 1.076 550 L CA 1.554 56.532 54.840 0.230 0.000 0.749 550 L CB -0.601 41.599 42.059 0.235 0.000 0.893 550 L HN 0.112 nan 8.230 nan 0.000 0.432 551 I N -0.855 119.723 120.570 0.014 0.000 2.252 551 I HA -0.246 3.921 4.170 -0.005 0.000 0.245 551 I C 2.558 178.669 176.117 -0.011 0.000 1.102 551 I CA 1.048 62.310 61.300 -0.062 0.000 1.385 551 I CB -0.343 37.590 38.000 -0.111 0.000 1.064 551 I HN 0.211 nan 8.210 nan 0.000 0.414 552 R N 0.140 120.657 120.500 0.028 0.000 2.193 552 R HA -0.148 4.189 4.340 -0.005 0.000 0.229 552 R C 2.156 178.540 176.300 0.141 0.000 1.110 552 R CA 0.992 57.129 56.100 0.062 0.000 0.988 552 R CB -0.232 30.108 30.300 0.067 0.000 0.871 552 R HN 0.268 nan 8.270 nan 0.000 0.458 553 L N -0.185 121.155 121.223 0.196 0.000 2.162 553 L HA -0.072 4.265 4.340 -0.005 0.000 0.205 553 L C 1.982 179.122 176.870 0.450 0.000 1.086 553 L CA 1.456 56.488 54.840 0.321 0.000 0.778 553 L CB -0.232 41.941 42.059 0.189 0.000 0.928 553 L HN 0.113 nan 8.230 nan 0.000 0.446 554 C N -0.411 119.118 119.300 0.381 0.000 2.425 554 C HA -0.143 4.314 4.460 -0.005 0.000 0.277 554 C C 2.652 177.783 174.990 0.236 0.000 1.280 554 C CA 0.855 60.089 59.018 0.359 0.000 1.744 554 C CB -0.907 26.683 27.740 -0.250 0.000 1.989 554 C HN 0.603 nan 8.230 nan 0.000 0.491 555 Q N 0.434 120.279 119.800 0.076 0.000 2.172 555 Q HA -0.145 4.192 4.340 -0.005 0.000 0.200 555 Q C 2.128 178.223 176.000 0.158 0.000 0.964 555 Q CA 1.021 56.880 55.803 0.093 0.000 0.855 555 Q CB -0.118 28.634 28.738 0.023 0.000 0.918 555 Q HN 0.653 nan 8.270 nan 0.000 0.444 556 K N -0.156 120.247 120.400 0.005 0.000 2.262 556 K HA 0.009 4.326 4.320 -0.005 0.000 0.200 556 K C 0.681 176.867 176.600 -0.689 0.000 1.049 556 K CA 0.690 56.757 56.287 -0.368 0.000 0.979 556 K CB 0.392 32.549 32.500 -0.571 0.000 0.773 556 K HN 0.078 nan 8.250 nan 0.000 0.474 557 F N -0.624 119.328 119.950 0.002 0.000 2.767 557 F HA 0.330 4.854 4.527 -0.005 0.000 0.323 557 F C 1.099 176.874 175.800 -0.042 0.000 1.091 557 F CA -0.596 57.270 58.000 -0.223 0.000 1.192 557 F CB 0.618 39.088 39.000 -0.883 0.000 1.056 557 F HN -0.069 nan 8.300 nan 0.000 0.571 558 G N 0.101 109.141 108.800 0.400 0.000 2.557 558 G HA2 0.480 4.437 3.960 -0.005 0.000 0.292 558 G HA3 0.480 4.437 3.960 -0.005 0.000 0.292 558 G C -0.567 174.353 174.900 0.033 0.000 1.237 558 G CA -0.275 44.886 45.100 0.101 0.000 0.978 558 G HN -0.097 nan 8.290 nan 0.000 0.498 559 E N -0.564 119.491 120.200 -0.243 0.000 2.199 559 E HA 0.544 4.891 4.350 -0.005 0.000 0.269 559 E C -1.248 175.343 176.600 -0.014 0.000 0.899 559 E CA -0.355 55.955 56.400 -0.150 0.000 0.772 559 E CB 2.048 31.622 29.700 -0.210 0.000 1.155 559 E HN 0.607 nan 8.360 nan 0.000 0.408 560 Y N -1.570 118.593 120.300 -0.230 0.000 2.786 560 Y HA 0.322 4.869 4.550 -0.005 0.000 0.365 560 Y C -1.303 174.497 175.900 -0.168 0.000 1.171 560 Y CA -1.202 56.777 58.100 -0.203 0.000 1.214 560 Y CB 0.657 39.139 38.460 0.036 0.000 1.411 560 Y HN 0.317 nan 8.280 nan 0.000 0.485 561 H N 1.887 121.022 119.070 0.108 0.000 2.488 561 H HA 0.386 4.939 4.556 -0.005 0.000 0.322 561 H C -0.545 174.876 175.328 0.156 0.000 1.078 561 H CA -1.031 55.037 56.048 0.033 0.000 1.260 561 H CB 1.706 31.484 29.762 0.027 0.000 1.425 561 H HN 0.556 nan 8.280 nan 0.000 0.471 562 K N 2.030 122.571 120.400 0.236 0.000 2.518 562 K HA -0.121 4.197 4.320 -0.005 0.000 0.276 562 K C 0.258 176.955 176.600 0.162 0.000 0.974 562 K CA 0.504 56.932 56.287 0.235 0.000 0.986 562 K CB 0.381 32.968 32.500 0.144 0.000 0.901 562 K HN 0.700 nan 8.250 nan 0.000 0.497 563 D N 0.734 121.206 120.400 0.120 0.000 3.077 563 D HA -0.190 4.447 4.640 -0.005 0.000 0.217 563 D C -0.450 175.893 176.300 0.072 0.000 1.162 563 D CA 1.310 55.351 54.000 0.068 0.000 0.943 563 D CB -0.567 40.263 40.800 0.050 0.000 1.122 563 D HN 0.604 nan 8.370 nan 0.000 0.413 564 D N -0.695 119.773 120.400 0.113 0.000 2.408 564 D HA 0.286 4.923 4.640 -0.005 0.000 0.261 564 D C -1.826 174.529 176.300 0.092 0.000 1.190 564 D CA -2.092 51.973 54.000 0.108 0.000 0.910 564 D CB 1.621 42.523 40.800 0.169 0.000 1.097 564 D HN -0.164 nan 8.370 nan 0.000 0.522 565 P HA -0.127 nan 4.420 nan 0.000 0.214 565 P C 1.302 178.626 177.300 0.041 0.000 1.163 565 P CA 0.942 64.046 63.100 0.006 0.000 0.889 565 P CB 0.311 31.996 31.700 -0.024 0.000 0.790 566 S N -0.765 114.960 115.700 0.042 0.000 2.493 566 S HA -0.119 4.348 4.470 -0.005 0.000 0.243 566 S C 1.892 176.522 174.600 0.050 0.000 0.991 566 S CA 1.442 59.668 58.200 0.042 0.000 0.957 566 S CB -0.932 62.291 63.200 0.037 0.000 0.756 566 S HN 0.330 nan 8.310 nan 0.000 0.521 567 S N 0.062 115.802 115.700 0.066 0.000 2.478 567 S HA 0.147 4.614 4.470 -0.005 0.000 0.222 567 S C 0.463 175.060 174.600 -0.006 0.000 1.008 567 S CA -0.411 57.793 58.200 0.006 0.000 0.928 567 S CB -0.440 62.733 63.200 -0.046 0.000 0.781 567 S HN 0.339 nan 8.310 nan 0.000 0.518 568 F N 4.064 123.969 119.950 -0.075 0.000 2.607 568 F HA 0.387 4.911 4.527 -0.005 0.000 0.374 568 F C 0.595 176.314 175.800 -0.134 0.000 1.104 568 F CA -0.033 57.892 58.000 -0.124 0.000 1.296 568 F CB 0.388 39.243 39.000 -0.242 0.000 1.085 568 F HN 0.210 nan 8.300 nan 0.000 0.584 569 R N 4.732 124.590 120.500 -1.070 0.000 2.716 569 R HA 0.543 4.880 4.340 -0.005 0.000 0.271 569 R C -1.906 173.915 176.300 -0.798 0.000 1.028 569 R CA -0.975 54.743 56.100 -0.637 0.000 0.883 569 R CB 1.545 31.681 30.300 -0.275 0.000 1.250 569 R HN 0.590 nan 8.270 nan 0.000 0.465 570 F N 0.054 119.817 119.950 -0.312 0.000 2.576 570 F HA 0.450 4.974 4.527 -0.005 0.000 0.313 570 F C 0.200 175.992 175.800 -0.014 0.000 1.078 570 F CA -1.155 56.752 58.000 -0.155 0.000 0.921 570 F CB 2.846 41.883 39.000 0.062 0.000 1.232 570 F HN 0.509 nan 8.300 nan 0.000 0.459 571 S N 0.853 116.719 115.700 0.277 0.000 2.598 571 S HA -0.084 4.383 4.470 -0.005 0.000 0.256 571 S C 1.024 175.759 174.600 0.225 0.000 1.350 571 S CA -0.380 57.951 58.200 0.218 0.000 0.984 571 S CB 0.799 64.160 63.200 0.268 0.000 0.930 571 S HN 0.808 nan 8.310 nan 0.000 0.577 572 E N -0.022 120.278 120.200 0.167 0.000 2.478 572 E HA -0.087 4.260 4.350 -0.005 0.000 0.198 572 E C 0.895 177.569 176.600 0.123 0.000 1.046 572 E CA 0.700 57.178 56.400 0.131 0.000 0.870 572 E CB -0.080 29.680 29.700 0.101 0.000 0.818 572 E HN 0.618 nan 8.360 nan 0.000 0.527 573 T N -0.516 114.140 114.554 0.169 0.000 3.043 573 T HA 0.019 4.366 4.350 -0.005 0.000 0.263 573 T C 0.459 175.103 174.700 -0.094 0.000 1.094 573 T CA 0.589 62.730 62.100 0.068 0.000 1.127 573 T CB 0.045 68.989 68.868 0.127 0.000 0.905 573 T HN 0.186 nan 8.240 nan 0.000 0.490 574 F N 0.263 120.160 119.950 -0.087 0.000 2.834 574 F HA 0.203 4.727 4.527 -0.005 0.000 0.332 574 F C 2.338 178.052 175.800 -0.144 0.000 1.056 574 F CA -0.203 57.627 58.000 -0.284 0.000 1.178 574 F CB -0.338 38.010 39.000 -1.086 0.000 1.037 574 F HN 0.027 nan 8.300 nan 0.000 0.580 575 S N 0.839 116.680 115.700 0.236 0.000 2.413 575 S HA -0.239 4.229 4.470 -0.005 0.000 0.237 575 S C 1.737 176.459 174.600 0.202 0.000 1.044 575 S CA 1.512 59.905 58.200 0.320 0.000 1.024 575 S CB -0.894 62.442 63.200 0.226 0.000 0.829 575 S HN 0.476 nan 8.310 nan 0.000 0.475 576 L N -0.942 120.307 121.223 0.042 0.000 2.509 576 L HA 0.201 4.538 4.340 -0.005 0.000 0.222 576 L C 2.302 179.005 176.870 -0.279 0.000 1.123 576 L CA 0.429 55.120 54.840 -0.248 0.000 0.856 576 L CB -0.501 41.245 42.059 -0.521 0.000 0.985 576 L HN 0.228 nan 8.230 nan 0.000 0.456 577 Y N 2.096 122.398 120.300 0.004 0.000 2.128 577 Y HA -0.184 4.363 4.550 -0.005 0.000 0.284 577 Y C -0.403 175.660 175.900 0.271 0.000 1.154 577 Y CA 1.926 60.150 58.100 0.206 0.000 1.149 577 Y CB -1.176 37.449 38.460 0.276 0.000 0.976 577 Y HN 0.128 nan 8.280 nan 0.000 0.505 578 P HA -0.231 nan 4.420 nan 0.000 0.215 578 P C 1.383 178.879 177.300 0.327 0.000 1.157 578 P CA 2.290 65.637 63.100 0.412 0.000 0.868 578 P CB -0.186 31.770 31.700 0.426 0.000 0.788 579 Q N -0.997 118.909 119.800 0.178 0.000 2.096 579 Q HA -0.178 4.159 4.340 -0.005 0.000 0.204 579 Q C 2.027 178.186 176.000 0.264 0.000 0.982 579 Q CA 1.567 57.453 55.803 0.139 0.000 0.850 579 Q CB -0.617 28.122 28.738 0.001 0.000 0.901 579 Q HN 0.223 nan 8.270 nan 0.000 0.422 580 F N -0.593 119.440 119.950 0.138 0.000 2.134 580 F HA -0.256 4.268 4.527 -0.005 0.000 0.299 580 F C 2.376 178.170 175.800 -0.010 0.000 1.097 580 F CA 0.252 58.289 58.000 0.063 0.000 1.264 580 F CB -0.053 38.914 39.000 -0.055 0.000 1.001 580 F HN 0.243 nan 8.300 nan 0.000 0.479 581 M N -0.128 119.540 119.600 0.113 0.000 2.117 581 M HA -0.182 4.295 4.480 -0.005 0.000 0.262 581 M C 1.956 178.238 176.300 -0.030 0.000 1.065 581 M CA 1.404 56.717 55.300 0.021 0.000 1.114 581 M CB -1.137 31.506 32.600 0.072 0.000 1.361 581 M HN 0.164 nan 8.290 nan 0.000 0.408 582 F N 0.609 120.389 119.950 -0.283 0.000 2.011 582 F HA -0.339 4.185 4.527 -0.005 0.000 0.296 582 F C 2.527 178.077 175.800 -0.417 0.000 1.144 582 F CA 2.227 59.784 58.000 -0.738 0.000 1.185 582 F CB -0.991 37.554 39.000 -0.758 0.000 0.961 582 F HN 0.292 nan 8.300 nan 0.000 0.485 583 H N -0.087 118.870 119.070 -0.188 0.000 2.390 583 H HA -0.178 4.375 4.556 -0.005 0.000 0.298 583 H C 2.241 177.455 175.328 -0.191 0.000 1.106 583 H CA 1.929 57.847 56.048 -0.216 0.000 1.297 583 H CB -0.848 28.944 29.762 0.051 0.000 1.375 583 H HN 0.400 nan 8.280 nan 0.000 0.509 584 L N 2.121 123.348 121.223 0.006 0.000 2.141 584 L HA -0.145 4.192 4.340 -0.005 0.000 0.209 584 L C 2.509 179.341 176.870 -0.064 0.000 1.094 584 L CA 1.514 56.344 54.840 -0.016 0.000 0.763 584 L CB -0.326 41.722 42.059 -0.019 0.000 0.908 584 L HN 0.185 nan 8.230 nan 0.000 0.437 585 R N 0.051 120.461 120.500 -0.149 0.000 2.275 585 R HA -0.028 4.309 4.340 -0.005 0.000 0.199 585 R C 1.657 177.841 176.300 -0.193 0.000 0.989 585 R CA 1.017 57.032 56.100 -0.141 0.000 1.016 585 R CB -0.412 29.806 30.300 -0.137 0.000 0.918 585 R HN 0.537 nan 8.270 nan 0.000 0.473 586 R N 0.880 121.207 120.500 -0.287 0.000 2.335 586 R HA 0.163 4.500 4.340 -0.005 0.000 0.210 586 R C 0.463 176.660 176.300 -0.172 0.000 0.892 586 R CA 0.246 56.182 56.100 -0.273 0.000 1.048 586 R CB 0.169 30.195 30.300 -0.457 0.000 1.067 586 R HN 0.133 nan 8.270 nan 0.000 0.524 587 S N 0.487 116.113 115.700 -0.123 0.000 2.580 587 S HA -0.024 4.443 4.470 -0.005 0.000 0.266 587 S C 1.011 175.493 174.600 -0.197 0.000 1.354 587 S CA -0.139 57.992 58.200 -0.115 0.000 1.008 587 S CB 1.628 64.851 63.200 0.040 0.000 0.898 587 S HN 0.172 nan 8.310 nan 0.000 0.555 588 S N 0.448 115.912 115.700 -0.394 0.000 2.537 588 S HA 0.010 4.477 4.470 -0.005 0.000 0.240 588 S C 0.896 175.256 174.600 -0.400 0.000 0.981 588 S CA 0.642 58.598 58.200 -0.406 0.000 0.948 588 S CB -0.950 61.918 63.200 -0.554 0.000 0.759 588 S HN 0.651 nan 8.310 nan 0.000 0.531 589 F N 0.302 120.170 119.950 -0.137 0.000 2.367 589 F HA 0.234 4.758 4.527 -0.005 0.000 0.298 589 F C 1.607 177.339 175.800 -0.114 0.000 1.094 589 F CA 0.583 58.508 58.000 -0.126 0.000 1.409 589 F CB 0.049 38.899 39.000 -0.250 0.000 1.064 589 F HN 0.181 nan 8.300 nan 0.000 0.528 590 L N -1.287 119.954 121.223 0.030 0.000 2.781 590 L HA 0.192 4.529 4.340 -0.005 0.000 0.245 590 L C 0.255 177.082 176.870 -0.071 0.000 1.118 590 L CA 0.114 54.942 54.840 -0.019 0.000 0.918 590 L CB 0.144 42.208 42.059 0.009 0.000 1.246 590 L HN -0.141 nan 8.230 nan 0.000 0.526 591 Q N 1.159 120.909 119.800 -0.084 0.000 2.842 591 Q HA 0.128 4.465 4.340 -0.005 0.000 0.323 591 Q C 1.398 177.333 176.000 -0.108 0.000 1.111 591 Q CA -0.057 55.710 55.803 -0.060 0.000 1.047 591 Q CB 0.815 29.526 28.738 -0.046 0.000 1.280 591 Q HN 0.231 nan 8.270 nan 0.000 0.475 592 V N -2.293 117.445 119.914 -0.294 0.000 2.453 592 V HA -0.164 3.953 4.120 -0.005 0.000 0.252 592 V C 0.999 176.802 176.094 -0.485 0.000 1.068 592 V CA 1.203 63.161 62.300 -0.570 0.000 1.070 592 V CB -0.904 30.041 31.823 -1.462 0.000 0.664 592 V HN 0.191 nan 8.190 nan 0.000 0.461 593 F N 1.313 121.089 119.950 -0.289 0.000 2.485 593 F HA 0.360 4.884 4.527 -0.005 0.000 0.327 593 F C 1.624 177.397 175.800 -0.044 0.000 1.203 593 F CA 0.653 58.562 58.000 -0.152 0.000 1.295 593 F CB -0.315 38.562 39.000 -0.204 0.000 1.191 593 F HN 0.139 nan 8.300 nan 0.000 0.588 594 N N -0.213 118.593 118.700 0.177 0.000 2.965 594 N HA -0.247 4.490 4.740 -0.005 0.000 0.232 594 N C -0.883 174.691 175.510 0.107 0.000 0.913 594 N CA 0.668 53.790 53.050 0.121 0.000 0.981 594 N CB -1.124 37.414 38.487 0.084 0.000 1.077 594 N HN 0.564 nan 8.380 nan 0.000 0.589 595 N N -0.109 118.670 118.700 0.131 0.000 2.284 595 N HA 0.299 5.036 4.740 -0.005 0.000 0.289 595 N C -0.522 175.082 175.510 0.157 0.000 1.179 595 N CA -0.181 52.953 53.050 0.139 0.000 0.774 595 N CB 1.918 40.503 38.487 0.164 0.000 1.548 595 N HN 0.157 nan 8.380 nan 0.000 0.473 596 S N 0.292 116.009 115.700 0.029 0.000 2.601 596 S HA 0.393 4.860 4.470 -0.005 0.000 0.271 596 S C -1.880 172.557 174.600 -0.272 0.000 1.305 596 S CA -0.876 57.251 58.200 -0.122 0.000 1.022 596 S CB 1.976 65.090 63.200 -0.144 0.000 0.940 596 S HN 0.284 nan 8.310 nan 0.000 0.525 597 P HA -0.098 nan 4.420 nan 0.000 0.216 597 P C 0.631 177.689 177.300 -0.404 0.000 1.150 597 P CA 1.237 63.692 63.100 -1.075 0.000 0.843 597 P CB -0.004 30.876 31.700 -1.367 0.000 0.787 598 D N -0.670 119.541 120.400 -0.316 0.000 2.117 598 D HA -0.143 4.494 4.640 -0.005 0.000 0.197 598 D C 1.871 178.064 176.300 -0.177 0.000 0.987 598 D CA 1.056 54.927 54.000 -0.214 0.000 0.829 598 D CB -0.503 40.170 40.800 -0.211 0.000 0.961 598 D HN 0.330 nan 8.370 nan 0.000 0.460 599 E N 0.326 120.392 120.200 -0.222 0.000 2.110 599 E HA -0.090 4.257 4.350 -0.005 0.000 0.193 599 E C 2.078 178.441 176.600 -0.395 0.000 0.988 599 E CA 0.852 57.023 56.400 -0.382 0.000 0.804 599 E CB -0.007 29.489 29.700 -0.340 0.000 0.745 599 E HN 0.109 nan 8.360 nan 0.000 0.458 600 S N 0.774 116.450 115.700 -0.039 0.000 2.387 600 S HA -0.074 4.393 4.470 -0.005 0.000 0.226 600 S C 2.181 176.883 174.600 0.170 0.000 1.026 600 S CA 0.798 59.098 58.200 0.168 0.000 0.972 600 S CB 0.006 63.471 63.200 0.442 0.000 0.814 600 S HN 0.128 nan 8.310 nan 0.000 0.477 601 S N 0.506 116.273 115.700 0.112 0.000 2.387 601 S HA -0.035 4.432 4.470 -0.005 0.000 0.226 601 S C 1.590 176.276 174.600 0.143 0.000 1.026 601 S CA 0.776 59.047 58.200 0.119 0.000 0.972 601 S CB -0.381 62.840 63.200 0.034 0.000 0.814 601 S HN 0.634 nan 8.310 nan 0.000 0.477 602 Y N 1.371 121.635 120.300 -0.061 0.000 2.163 602 Y HA -0.182 4.365 4.550 -0.005 0.000 0.288 602 Y C 1.899 177.939 175.900 0.234 0.000 1.136 602 Y CA 1.251 59.349 58.100 -0.004 0.000 1.147 602 Y CB -0.708 37.635 38.460 -0.195 0.000 0.987 602 Y HN 0.294 nan 8.280 nan 0.000 0.509 603 Y N 0.015 120.368 120.300 0.089 0.000 2.097 603 Y HA -0.311 4.236 4.550 -0.005 0.000 0.282 603 Y C 2.708 178.847 175.900 0.399 0.000 1.152 603 Y CA 1.419 59.499 58.100 -0.033 0.000 1.136 603 Y CB -0.339 37.942 38.460 -0.298 0.000 0.975 603 Y HN -0.004 nan 8.280 nan 0.000 0.498 604 R N -0.842 119.981 120.500 0.538 0.000 2.105 604 R HA -0.225 4.112 4.340 -0.005 0.000 0.239 604 R C 2.006 178.509 176.300 0.337 0.000 1.135 604 R CA 1.679 58.065 56.100 0.476 0.000 0.967 604 R CB -0.682 29.821 30.300 0.338 0.000 0.861 604 R HN 0.455 nan 8.270 nan 0.000 0.442 605 H N 0.616 119.769 119.070 0.138 0.000 2.252 605 H HA -0.190 4.363 4.556 -0.005 0.000 0.292 605 H C 1.912 177.193 175.328 -0.078 0.000 1.082 605 H CA 2.169 58.191 56.048 -0.043 0.000 1.229 605 H CB -0.252 29.385 29.762 -0.208 0.000 1.353 605 H HN 0.269 nan 8.280 nan 0.000 0.488 606 H N -1.503 117.632 119.070 0.109 0.000 2.489 606 H HA -0.119 4.434 4.556 -0.004 0.000 0.293 606 H C 1.876 177.216 175.328 0.020 0.000 1.066 606 H CA 1.227 57.311 56.048 0.061 0.000 1.305 606 H CB -0.346 29.597 29.762 0.302 0.000 1.386 606 H HN 0.439 nan 8.280 nan 0.000 0.551 607 F N 0.643 120.653 119.950 0.101 0.000 2.615 607 F HA -0.005 4.519 4.527 -0.005 0.000 0.297 607 F C 1.889 177.582 175.800 -0.178 0.000 1.124 607 F CA 0.458 58.403 58.000 -0.091 0.000 1.451 607 F CB 0.188 39.055 39.000 -0.221 0.000 1.103 607 F HN -0.050 nan 8.300 nan 0.000 0.569 608 M N -0.415 119.100 119.600 -0.141 0.000 2.495 608 M HA 0.155 4.632 4.480 -0.005 0.000 0.237 608 M C 1.159 177.288 176.300 -0.286 0.000 1.131 608 M CA 0.685 55.859 55.300 -0.209 0.000 1.032 608 M CB -0.277 32.288 32.600 -0.059 0.000 1.513 608 M HN 0.188 nan 8.290 nan 0.000 0.488 609 R N -1.000 119.307 120.500 -0.322 0.000 2.310 609 R HA 0.162 4.499 4.340 -0.005 0.000 0.199 609 R C 0.593 176.709 176.300 -0.307 0.000 0.891 609 R CA -0.161 55.760 56.100 -0.299 0.000 1.060 609 R CB 0.386 30.516 30.300 -0.284 0.000 1.188 609 R HN 0.207 nan 8.270 nan 0.000 0.607 610 Q N 2.138 121.724 119.800 -0.356 0.000 2.432 610 Q HA -0.025 4.312 4.340 -0.005 0.000 0.264 610 Q C -0.283 175.479 176.000 -0.397 0.000 1.035 610 Q CA 0.540 56.112 55.803 -0.385 0.000 0.908 610 Q CB 0.438 28.875 28.738 -0.502 0.000 1.280 610 Q HN 0.224 nan 8.270 nan 0.000 0.455 611 D N 0.024 120.225 120.400 -0.331 0.000 2.414 611 D HA -0.034 4.603 4.640 -0.005 0.000 0.259 611 D C 1.096 177.207 176.300 -0.315 0.000 1.269 611 D CA -0.495 53.324 54.000 -0.301 0.000 1.028 611 D CB 0.448 41.103 40.800 -0.240 0.000 1.093 611 D HN 0.419 nan 8.370 nan 0.000 0.545 612 L N -0.143 120.919 121.223 -0.268 0.000 1.955 612 L HA -0.186 4.151 4.340 -0.005 0.000 0.213 612 L C 2.532 179.262 176.870 -0.233 0.000 1.072 612 L CA 3.262 57.948 54.840 -0.257 0.000 0.755 612 L CB -1.266 40.666 42.059 -0.211 0.000 0.888 612 L HN 0.785 nan 8.230 nan 0.000 0.432 613 T N -2.159 112.287 114.554 -0.181 0.000 2.653 613 T HA -0.291 4.056 4.350 -0.005 0.000 0.268 613 T C 1.952 176.558 174.700 -0.156 0.000 1.035 613 T CA 1.880 63.895 62.100 -0.142 0.000 1.154 613 T CB -0.438 68.374 68.868 -0.094 0.000 0.862 613 T HN 0.491 nan 8.240 nan 0.000 0.441 614 Q N 0.883 120.560 119.800 -0.205 0.000 2.084 614 Q HA 0.005 4.342 4.340 -0.005 0.000 0.202 614 Q C 2.884 178.687 176.000 -0.329 0.000 0.978 614 Q CA 1.726 57.359 55.803 -0.283 0.000 0.844 614 Q CB -1.059 27.416 28.738 -0.439 0.000 0.898 614 Q HN 0.634 nan 8.270 nan 0.000 0.426 615 S N 1.083 116.579 115.700 -0.340 0.000 2.365 615 S HA -0.125 4.342 4.470 -0.005 0.000 0.225 615 S C 2.079 176.628 174.600 -0.085 0.000 1.039 615 S CA 0.993 59.028 58.200 -0.276 0.000 1.033 615 S CB -0.371 62.547 63.200 -0.470 0.000 0.887 615 S HN 0.294 nan 8.310 nan 0.000 0.447 616 L N 0.855 121.974 121.223 -0.174 0.000 2.013 616 L HA -0.172 4.165 4.340 -0.005 0.000 0.212 616 L C 2.237 179.048 176.870 -0.098 0.000 1.073 616 L CA 1.346 56.062 54.840 -0.208 0.000 0.753 616 L CB -0.627 41.276 42.059 -0.261 0.000 0.890 616 L HN 0.326 nan 8.230 nan 0.000 0.432 617 I N -0.972 119.567 120.570 -0.053 0.000 2.226 617 I HA -0.345 3.822 4.170 -0.005 0.000 0.245 617 I C 2.637 178.795 176.117 0.067 0.000 1.100 617 I CA 1.380 62.690 61.300 0.016 0.000 1.374 617 I CB -0.204 37.826 38.000 0.050 0.000 1.057 617 I HN 0.279 nan 8.210 nan 0.000 0.413 618 M N 0.002 119.656 119.600 0.089 0.000 2.080 618 M HA -0.239 4.238 4.480 -0.005 0.000 0.260 618 M C 2.290 178.759 176.300 0.282 0.000 1.068 618 M CA 1.837 57.291 55.300 0.255 0.000 1.109 618 M CB -0.225 32.609 32.600 0.390 0.000 1.342 618 M HN 0.172 nan 8.290 nan 0.000 0.405 619 I N -0.628 120.049 120.570 0.178 0.000 2.252 619 I HA -0.176 3.991 4.170 -0.005 0.000 0.245 619 I C 1.369 177.511 176.117 0.042 0.000 1.102 619 I CA 1.342 62.711 61.300 0.116 0.000 1.385 619 I CB -0.673 37.326 38.000 -0.002 0.000 1.064 619 I HN 0.398 nan 8.210 nan 0.000 0.414 620 Q N 1.109 120.898 119.800 -0.019 0.000 2.932 620 Q HA 0.283 4.620 4.340 -0.005 0.000 0.248 620 Q C -2.447 173.506 176.000 -0.078 0.000 0.982 620 Q CA -1.913 53.805 55.803 -0.141 0.000 0.730 620 Q CB 1.403 30.105 28.738 -0.060 0.000 1.249 620 Q HN 0.002 nan 8.270 nan 0.000 0.476 621 P HA -0.113 nan 4.420 nan 0.000 0.264 621 P C -0.512 176.793 177.300 0.009 0.000 1.173 621 P CA 0.885 63.992 63.100 0.011 0.000 0.761 621 P CB 0.544 32.256 31.700 0.020 0.000 0.794 622 I N 2.742 123.346 120.570 0.057 0.000 2.612 622 I HA 0.294 4.461 4.170 -0.005 0.000 0.295 622 I C 0.251 176.422 176.117 0.090 0.000 1.011 622 I CA -0.365 60.976 61.300 0.068 0.000 1.326 622 I CB 0.615 38.704 38.000 0.148 0.000 1.427 622 I HN 0.168 nan 8.210 nan 0.000 0.537 623 L N 5.986 127.223 121.223 0.023 0.000 2.441 623 L HA 0.455 4.792 4.340 -0.005 0.000 0.270 623 L C -1.565 175.290 176.870 -0.025 0.000 0.973 623 L CA -0.150 54.724 54.840 0.057 0.000 0.842 623 L CB 1.101 43.171 42.059 0.019 0.000 1.239 623 L HN 0.275 nan 8.230 nan 0.000 0.406 624 Y N 3.061 123.384 120.300 0.038 0.000 2.409 624 Y HA 0.813 5.359 4.550 -0.005 0.000 0.339 624 Y C 0.364 176.261 175.900 -0.006 0.000 1.033 624 Y CA -0.399 57.681 58.100 -0.033 0.000 1.094 624 Y CB 2.156 40.572 38.460 -0.073 0.000 1.210 624 Y HN 0.705 nan 8.280 nan 0.000 0.456 625 A N 2.767 125.582 122.820 -0.008 0.000 2.350 625 A HA 0.820 5.137 4.320 -0.005 0.000 0.324 625 A C -2.049 175.453 177.584 -0.135 0.000 1.118 625 A CA -0.608 51.456 52.037 0.045 0.000 0.783 625 A CB 0.546 19.563 19.000 0.028 0.000 1.236 625 A HN 0.657 nan 8.150 nan 0.000 0.457 626 Y N 0.836 121.155 120.300 0.031 0.000 2.361 626 Y HA 0.623 5.170 4.550 -0.005 0.000 0.337 626 Y C 0.438 176.310 175.900 -0.046 0.000 0.965 626 Y CA -0.394 57.702 58.100 -0.006 0.000 1.091 626 Y CB 2.384 40.824 38.460 -0.034 0.000 1.182 626 Y HN 0.898 nan 8.280 nan 0.000 0.450 627 S N 0.788 116.526 115.700 0.064 0.000 2.565 627 S HA 0.472 4.939 4.470 -0.005 0.000 0.269 627 S C -0.148 174.443 174.600 -0.015 0.000 1.153 627 S CA -0.939 57.263 58.200 0.002 0.000 0.835 627 S CB 0.436 63.688 63.200 0.085 0.000 1.122 627 S HN 0.355 nan 8.310 nan 0.000 0.462 628 F N 2.170 122.145 119.950 0.042 0.000 2.120 628 F HA -0.068 4.456 4.527 -0.005 0.000 0.300 628 F C 2.159 177.971 175.800 0.019 0.000 1.095 628 F CA 1.477 59.497 58.000 0.033 0.000 1.249 628 F CB -0.583 38.430 39.000 0.021 0.000 0.995 628 F HN 0.729 nan 8.300 nan 0.000 0.480 629 S N 0.521 116.351 115.700 0.217 0.000 3.900 629 S HA 0.522 4.989 4.470 -0.005 0.000 0.248 629 S C 0.369 175.010 174.600 0.070 0.000 1.310 629 S CA -0.006 58.265 58.200 0.118 0.000 0.915 629 S CB -0.636 62.620 63.200 0.094 0.000 1.588 629 S HN 0.766 nan 8.310 nan 0.000 0.472 630 G N 2.748 111.581 108.800 0.055 0.000 2.570 630 G HA2 0.050 4.007 3.960 -0.005 0.000 0.686 630 G HA3 0.050 4.007 3.960 -0.005 0.000 0.686 630 G C -3.210 171.699 174.900 0.015 0.000 1.257 630 G CA -0.793 44.323 45.100 0.027 0.000 0.846 630 G HN 0.548 nan 8.290 nan 0.000 0.627 631 P HA 0.475 nan 4.420 nan 0.000 0.278 631 P C -2.679 174.592 177.300 -0.049 0.000 1.266 631 P CA -1.357 61.743 63.100 -0.000 0.000 0.807 631 P CB 0.066 31.772 31.700 0.009 0.000 1.094 632 P HA 0.127 nan 4.420 nan 0.000 0.264 632 P C -0.608 176.616 177.300 -0.125 0.000 1.183 632 P CA 0.885 63.790 63.100 -0.326 0.000 0.763 632 P CB 0.179 31.565 31.700 -0.523 0.000 0.807 633 E N 3.948 124.070 120.200 -0.130 0.000 2.308 633 E HA 0.352 4.699 4.350 -0.005 0.000 0.275 633 E C -2.606 173.860 176.600 -0.224 0.000 0.890 633 E CA -2.343 54.000 56.400 -0.096 0.000 0.754 633 E CB 1.504 31.156 29.700 -0.081 0.000 1.207 633 E HN 0.255 nan 8.360 nan 0.000 0.426 634 P HA 0.043 nan 4.420 nan 0.000 0.269 634 P C -1.038 176.088 177.300 -0.291 0.000 1.215 634 P CA -0.277 62.432 63.100 -0.652 0.000 0.780 634 P CB 0.552 31.867 31.700 -0.641 0.000 0.898 635 V N -0.955 118.826 119.914 -0.221 0.000 3.087 635 V HA 0.405 4.522 4.120 -0.005 0.000 0.306 635 V C -0.629 175.426 176.094 -0.065 0.000 1.187 635 V CA -1.365 60.872 62.300 -0.104 0.000 0.999 635 V CB 1.399 33.187 31.823 -0.058 0.000 1.049 635 V HN 0.118 nan 8.190 nan 0.000 0.431 636 L N 2.286 123.491 121.223 -0.029 0.000 2.543 636 L HA 0.118 4.455 4.340 -0.005 0.000 0.285 636 L C 0.753 177.637 176.870 0.023 0.000 1.236 636 L CA 0.385 55.228 54.840 0.005 0.000 0.871 636 L CB -0.191 41.878 42.059 0.018 0.000 1.121 636 L HN 0.718 nan 8.230 nan 0.000 0.501 637 L N 4.005 125.261 121.223 0.056 0.000 2.511 637 L HA 0.098 4.435 4.340 -0.005 0.000 0.239 637 L C 0.013 176.952 176.870 0.115 0.000 1.400 637 L CA 0.243 55.128 54.840 0.074 0.000 1.226 637 L CB -0.618 41.483 42.059 0.071 0.000 1.475 637 L HN 0.625 nan 8.230 nan 0.000 0.428 638 D N -1.203 119.237 120.400 0.067 0.000 2.527 638 D HA 0.164 4.801 4.640 -0.005 0.000 0.233 638 D C 0.789 177.107 176.300 0.030 0.000 1.063 638 D CA -0.380 53.656 54.000 0.059 0.000 0.880 638 D CB 2.302 43.127 40.800 0.041 0.000 1.457 638 D HN 0.064 nan 8.370 nan 0.000 0.475 639 S N 0.657 116.373 115.700 0.027 0.000 2.400 639 S HA -0.195 4.272 4.470 -0.005 0.000 0.232 639 S C 1.944 176.547 174.600 0.005 0.000 1.025 639 S CA 1.581 59.786 58.200 0.008 0.000 0.993 639 S CB -0.240 62.969 63.200 0.015 0.000 0.808 639 S HN 0.644 nan 8.310 nan 0.000 0.478 640 S N 1.886 117.593 115.700 0.012 0.000 2.419 640 S HA -0.081 4.386 4.470 -0.005 0.000 0.235 640 S C 1.713 176.320 174.600 0.012 0.000 1.019 640 S CA 1.258 59.465 58.200 0.012 0.000 0.982 640 S CB -0.586 62.622 63.200 0.012 0.000 0.789 640 S HN 0.406 nan 8.310 nan 0.000 0.490 641 S N 1.488 117.194 115.700 0.010 0.000 2.555 641 S HA 0.272 4.739 4.470 -0.005 0.000 0.230 641 S C 0.620 175.232 174.600 0.020 0.000 0.978 641 S CA 0.218 58.425 58.200 0.013 0.000 0.934 641 S CB -0.512 62.693 63.200 0.008 0.000 0.766 641 S HN 0.572 nan 8.310 nan 0.000 0.533 642 I N 2.941 123.514 120.570 0.006 0.000 2.260 642 I HA 0.204 4.371 4.170 -0.005 0.000 0.297 642 I C -0.232 175.922 176.117 0.062 0.000 1.143 642 I CA -0.067 61.242 61.300 0.015 0.000 1.271 642 I CB -0.142 37.819 38.000 -0.065 0.000 1.461 642 I HN 0.024 nan 8.210 nan 0.000 0.530 643 L N 3.755 125.033 121.223 0.092 0.000 2.400 643 L HA 0.542 4.879 4.340 -0.005 0.000 0.264 643 L C 1.477 178.409 176.870 0.104 0.000 1.061 643 L CA -0.411 54.476 54.840 0.078 0.000 0.799 643 L CB 1.375 43.472 42.059 0.063 0.000 1.240 643 L HN 0.566 nan 8.230 nan 0.000 0.461 644 A N 0.197 123.053 122.820 0.060 0.000 1.975 644 A HA -0.072 4.245 4.320 -0.005 0.000 0.215 644 A C 0.971 178.583 177.584 0.047 0.000 1.170 644 A CA 0.959 53.026 52.037 0.049 0.000 0.656 644 A CB -0.253 18.758 19.000 0.019 0.000 0.821 644 A HN 0.834 nan 8.150 nan 0.000 0.449 645 D N -0.710 119.714 120.400 0.040 0.000 3.071 645 D HA 0.260 4.897 4.640 -0.005 0.000 0.259 645 D C 0.077 176.414 176.300 0.062 0.000 1.331 645 D CA -0.154 53.859 54.000 0.021 0.000 0.861 645 D CB -0.139 40.665 40.800 0.006 0.000 1.059 645 D HN 0.259 nan 8.370 nan 0.000 0.486 646 R N 0.152 120.700 120.500 0.080 0.000 2.626 646 R HA 0.433 4.770 4.340 -0.005 0.000 0.274 646 R C -1.285 175.081 176.300 0.110 0.000 1.031 646 R CA -0.745 55.414 56.100 0.099 0.000 0.898 646 R CB 1.604 31.969 30.300 0.108 0.000 1.222 646 R HN -0.018 nan 8.270 nan 0.000 0.455 647 I N 4.978 125.608 120.570 0.101 0.000 2.354 647 I HA 0.352 4.520 4.170 -0.005 0.000 0.292 647 I C -0.176 176.038 176.117 0.163 0.000 0.989 647 I CA -0.547 60.760 61.300 0.011 0.000 1.188 647 I CB 1.315 39.215 38.000 -0.166 0.000 1.342 647 I HN 0.512 nan 8.210 nan 0.000 0.457 648 L N 6.078 127.390 121.223 0.148 0.000 2.331 648 L HA 0.493 4.830 4.340 -0.005 0.000 0.275 648 L C -0.632 176.338 176.870 0.166 0.000 1.022 648 L CA -0.849 54.121 54.840 0.216 0.000 0.812 648 L CB 2.145 44.317 42.059 0.188 0.000 1.257 648 L HN 0.293 nan 8.230 nan 0.000 0.435 649 L N 4.822 126.206 121.223 0.268 0.000 2.343 649 L HA 0.525 4.862 4.340 -0.005 0.000 0.278 649 L C -0.763 176.224 176.870 0.196 0.000 0.996 649 L CA -0.280 54.687 54.840 0.211 0.000 0.831 649 L CB 1.428 43.683 42.059 0.327 0.000 1.232 649 L HN 0.680 nan 8.230 nan 0.000 0.413 650 M N 4.461 124.129 119.600 0.114 0.000 2.294 650 M HA 0.391 4.868 4.480 -0.005 0.000 0.335 650 M C -1.418 174.926 176.300 0.074 0.000 1.079 650 M CA -0.396 54.963 55.300 0.099 0.000 0.982 650 M CB 1.618 34.257 32.600 0.065 0.000 1.651 650 M HN 0.638 nan 8.290 nan 0.000 0.437 651 D N 3.113 123.566 120.400 0.088 0.000 2.461 651 D HA 0.293 4.930 4.640 -0.005 0.000 0.240 651 D C -1.283 175.054 176.300 0.062 0.000 1.094 651 D CA -0.066 53.971 54.000 0.061 0.000 0.868 651 D CB 1.301 42.147 40.800 0.077 0.000 1.062 651 D HN 0.570 nan 8.370 nan 0.000 0.530 652 T N 5.234 119.816 114.554 0.047 0.000 3.145 652 T HA 0.070 4.417 4.350 -0.005 0.000 0.348 652 T C 1.095 175.837 174.700 0.071 0.000 1.299 652 T CA -0.463 61.691 62.100 0.091 0.000 1.037 652 T CB -0.332 68.589 68.868 0.088 0.000 1.122 652 T HN 0.385 nan 8.240 nan 0.000 0.600 653 F N 3.114 122.992 119.950 -0.120 0.000 2.056 653 F HA -0.416 4.108 4.527 -0.005 0.000 0.274 653 F C 1.115 176.697 175.800 -0.363 0.000 1.061 653 F CA 2.155 59.969 58.000 -0.309 0.000 1.376 653 F CB -0.703 37.976 39.000 -0.535 0.000 0.938 653 F HN 0.628 nan 8.300 nan 0.000 0.486 654 F N 0.055 119.959 119.950 -0.077 0.000 2.325 654 F HA -0.024 4.500 4.527 -0.005 0.000 0.299 654 F C 1.283 176.988 175.800 -0.158 0.000 1.090 654 F CA 1.128 59.056 58.000 -0.120 0.000 1.392 654 F CB -0.545 38.560 39.000 0.175 0.000 1.053 654 F HN 0.219 nan 8.300 nan 0.000 0.521 655 Q N 0.044 119.846 119.800 0.003 0.000 2.359 655 Q HA 0.579 4.916 4.340 -0.005 0.000 0.274 655 Q C -1.372 174.579 176.000 -0.080 0.000 1.074 655 Q CA -0.746 55.012 55.803 -0.075 0.000 0.810 655 Q CB 2.308 30.962 28.738 -0.139 0.000 1.342 655 Q HN 0.186 nan 8.270 nan 0.000 0.427 656 I N 3.314 123.839 120.570 -0.076 0.000 2.330 656 I HA 0.399 4.566 4.170 -0.005 0.000 0.289 656 I C -0.968 175.073 176.117 -0.126 0.000 1.001 656 I CA -0.801 60.480 61.300 -0.031 0.000 1.193 656 I CB 1.561 39.605 38.000 0.074 0.000 1.345 656 I HN 0.579 nan 8.210 nan 0.000 0.461 657 L N 7.785 128.945 121.223 -0.104 0.000 2.356 657 L HA 0.607 4.944 4.340 -0.005 0.000 0.277 657 L C -1.364 175.454 176.870 -0.087 0.000 0.996 657 L CA -0.682 54.065 54.840 -0.155 0.000 0.822 657 L CB 1.670 43.688 42.059 -0.069 0.000 1.256 657 L HN 0.424 nan 8.230 nan 0.000 0.413 658 I N 5.362 125.839 120.570 -0.155 0.000 2.330 658 I HA 0.301 4.468 4.170 -0.005 0.000 0.289 658 I C -0.876 175.190 176.117 -0.084 0.000 1.001 658 I CA -0.137 61.092 61.300 -0.118 0.000 1.193 658 I CB 1.286 39.200 38.000 -0.142 0.000 1.345 658 I HN 0.395 nan 8.210 nan 0.000 0.461 659 Y N 5.970 126.153 120.300 -0.195 0.000 2.377 659 Y HA 0.487 5.034 4.550 -0.005 0.000 0.339 659 Y C -0.476 175.278 175.900 -0.244 0.000 1.011 659 Y CA -0.450 57.578 58.100 -0.120 0.000 1.093 659 Y CB 0.914 39.370 38.460 -0.007 0.000 1.201 659 Y HN 0.480 nan 8.280 nan 0.000 0.455 660 H N 4.826 123.567 119.070 -0.548 0.000 2.595 660 H HA 0.290 4.843 4.556 -0.005 0.000 0.313 660 H C 0.406 175.417 175.328 -0.530 0.000 1.023 660 H CA -0.397 55.432 56.048 -0.365 0.000 1.218 660 H CB 1.056 30.703 29.762 -0.190 0.000 1.403 660 H HN 1.022 nan 8.280 nan 0.000 0.477 661 G N 1.913 110.648 108.800 -0.108 0.000 2.568 661 G HA2 -0.157 3.800 3.960 -0.005 0.000 0.231 661 G HA3 -0.157 3.800 3.960 -0.005 0.000 0.231 661 G C 1.119 176.033 174.900 0.024 0.000 1.261 661 G CA -0.076 45.044 45.100 0.033 0.000 0.855 661 G HN 0.805 nan 8.290 nan 0.000 0.576 662 E N 0.452 120.677 120.200 0.042 0.000 2.068 662 E HA -0.252 4.095 4.350 -0.005 0.000 0.207 662 E C 2.474 179.155 176.600 0.134 0.000 1.032 662 E CA 2.240 58.704 56.400 0.106 0.000 0.839 662 E CB -0.310 29.393 29.700 0.005 0.000 0.758 662 E HN 0.576 nan 8.360 nan 0.000 0.457 663 T N 1.448 116.067 114.554 0.108 0.000 2.570 663 T HA -0.216 4.131 4.350 -0.005 0.000 0.266 663 T C 1.925 176.735 174.700 0.184 0.000 1.071 663 T CA 2.029 64.220 62.100 0.152 0.000 1.172 663 T CB -0.420 68.477 68.868 0.048 0.000 0.864 663 T HN 0.254 nan 8.240 nan 0.000 0.421 664 I N 1.348 121.954 120.570 0.060 0.000 2.657 664 I HA -0.176 3.991 4.170 -0.005 0.000 0.261 664 I C 2.710 178.975 176.117 0.247 0.000 1.212 664 I CA 0.737 62.116 61.300 0.132 0.000 1.453 664 I CB -0.495 37.597 38.000 0.152 0.000 1.092 664 I HN 0.222 nan 8.210 nan 0.000 0.452 665 A N 0.400 123.329 122.820 0.181 0.000 1.929 665 A HA -0.171 4.146 4.320 -0.005 0.000 0.216 665 A C 2.289 179.976 177.584 0.172 0.000 1.176 665 A CA 1.027 53.132 52.037 0.113 0.000 0.628 665 A CB -0.318 18.732 19.000 0.083 0.000 0.816 665 A HN 0.426 nan 8.150 nan 0.000 0.444 666 Q N -1.263 118.691 119.800 0.256 0.000 1.993 666 Q HA -0.226 4.111 4.340 -0.005 0.000 0.202 666 Q C 1.863 178.033 176.000 0.284 0.000 0.984 666 Q CA 1.663 57.605 55.803 0.233 0.000 0.837 666 Q CB -0.377 28.505 28.738 0.240 0.000 0.902 666 Q HN 0.844 nan 8.270 nan 0.000 0.423 667 W N 1.099 122.449 121.300 0.084 0.000 2.336 667 W HA -0.159 4.498 4.660 -0.005 0.000 0.277 667 W C 2.244 178.937 176.519 0.290 0.000 1.211 667 W CA 0.857 58.240 57.345 0.063 0.000 1.187 667 W CB -0.306 28.934 29.460 -0.366 0.000 1.132 667 W HN 0.169 nan 8.180 nan 0.000 0.562 668 R N 0.674 121.444 120.500 0.449 0.000 2.112 668 R HA -0.049 4.288 4.340 -0.005 0.000 0.216 668 R C 2.051 178.444 176.300 0.154 0.000 1.080 668 R CA 1.029 57.294 56.100 0.276 0.000 0.996 668 R CB -0.269 30.054 30.300 0.038 0.000 0.902 668 R HN 0.112 nan 8.270 nan 0.000 0.449 669 K N 0.429 120.900 120.400 0.117 0.000 2.001 669 K HA -0.052 4.265 4.320 -0.005 0.000 0.208 669 K C 1.321 177.937 176.600 0.027 0.000 1.048 669 K CA 1.714 58.034 56.287 0.056 0.000 0.932 669 K CB -0.004 32.524 32.500 0.047 0.000 0.715 669 K HN 0.173 nan 8.250 nan 0.000 0.437 670 S N 0.377 116.086 115.700 0.015 0.000 2.763 670 S HA 0.135 4.602 4.470 -0.005 0.000 0.237 670 S C 0.544 175.062 174.600 -0.137 0.000 0.966 670 S CA -0.164 57.978 58.200 -0.097 0.000 1.017 670 S CB -0.255 62.847 63.200 -0.163 0.000 0.780 670 S HN 0.365 nan 8.310 nan 0.000 0.476 671 G N 1.375 110.188 108.800 0.022 0.000 2.919 671 G HA2 -0.236 3.721 3.960 -0.005 0.000 0.332 671 G HA3 -0.236 3.721 3.960 -0.005 0.000 0.332 671 G C -0.200 174.718 174.900 0.029 0.000 0.213 671 G CA 0.104 45.268 45.100 0.107 0.000 1.223 671 G HN 0.625 nan 8.290 nan 0.000 0.304 672 Y N 1.770 122.092 120.300 0.037 0.000 2.871 672 Y HA 0.084 4.631 4.550 -0.005 0.000 0.378 672 Y C 2.038 178.045 175.900 0.179 0.000 1.069 672 Y CA 0.197 58.285 58.100 -0.019 0.000 1.662 672 Y CB -0.156 38.123 38.460 -0.302 0.000 1.561 672 Y HN 0.734 nan 8.280 nan 0.000 0.483 673 Q N 1.402 121.341 119.800 0.232 0.000 1.895 673 Q HA -0.242 4.095 4.340 -0.005 0.000 0.217 673 Q C 1.158 177.261 176.000 0.171 0.000 1.003 673 Q CA 2.307 58.225 55.803 0.191 0.000 0.871 673 Q CB -0.269 28.533 28.738 0.107 0.000 0.941 673 Q HN 0.431 nan 8.270 nan 0.000 0.421 674 D N -0.751 119.717 120.400 0.114 0.000 2.344 674 D HA 0.076 4.713 4.640 -0.005 0.000 0.242 674 D C -0.436 175.940 176.300 0.127 0.000 1.159 674 D CA 0.017 54.078 54.000 0.103 0.000 0.859 674 D CB -0.064 40.772 40.800 0.061 0.000 0.925 674 D HN 0.262 nan 8.370 nan 0.000 0.510 675 M N 1.476 121.193 119.600 0.194 0.000 2.319 675 M HA 0.167 4.644 4.480 -0.005 0.000 0.343 675 M C -1.519 174.943 176.300 0.270 0.000 1.364 675 M CA -1.417 54.033 55.300 0.250 0.000 1.292 675 M CB 0.955 33.795 32.600 0.401 0.000 1.432 675 M HN -0.086 nan 8.290 nan 0.000 0.448 676 P HA -0.200 nan 4.420 nan 0.000 0.224 676 P C 0.897 178.274 177.300 0.127 0.000 1.142 676 P CA 1.356 64.538 63.100 0.137 0.000 0.778 676 P CB 0.182 31.935 31.700 0.089 0.000 0.764 677 E N 0.393 120.676 120.200 0.139 0.000 2.106 677 E HA -0.170 4.177 4.350 -0.005 0.000 0.192 677 E C 0.291 176.820 176.600 -0.118 0.000 0.984 677 E CA 1.057 57.451 56.400 -0.009 0.000 0.806 677 E CB -0.802 28.882 29.700 -0.027 0.000 0.750 677 E HN 0.306 nan 8.360 nan 0.000 0.458 678 Y N 1.017 121.448 120.300 0.218 0.000 2.827 678 Y HA 0.262 4.809 4.550 -0.005 0.000 0.373 678 Y C 1.020 177.094 175.900 0.290 0.000 1.198 678 Y CA -0.402 57.871 58.100 0.288 0.000 1.589 678 Y CB 0.460 39.151 38.460 0.385 0.000 1.682 678 Y HN 0.024 nan 8.280 nan 0.000 0.506 679 E N 1.020 121.383 120.200 0.271 0.000 2.274 679 E HA -0.156 4.191 4.350 -0.005 0.000 0.194 679 E C 1.536 178.288 176.600 0.253 0.000 0.996 679 E CA 0.679 57.212 56.400 0.222 0.000 0.840 679 E CB 0.231 30.017 29.700 0.143 0.000 0.772 679 E HN 0.750 nan 8.360 nan 0.000 0.491 680 N N 0.439 119.321 118.700 0.303 0.000 2.171 680 N HA -0.176 4.561 4.740 -0.005 0.000 0.184 680 N C 1.824 177.586 175.510 0.421 0.000 1.021 680 N CA 0.767 54.020 53.050 0.337 0.000 0.854 680 N CB -0.995 37.724 38.487 0.386 0.000 0.994 680 N HN 0.085 nan 8.380 nan 0.000 0.426 681 F N 1.813 122.011 119.950 0.414 0.000 2.365 681 F HA 0.146 4.670 4.527 -0.005 0.000 0.300 681 F C 2.322 178.235 175.800 0.188 0.000 1.090 681 F CA 0.572 58.775 58.000 0.338 0.000 1.408 681 F CB -0.038 39.224 39.000 0.435 0.000 1.060 681 F HN -0.057 nan 8.300 nan 0.000 0.534 682 R N -1.094 119.489 120.500 0.139 0.000 2.073 682 R HA -0.160 4.177 4.340 -0.005 0.000 0.229 682 R C 2.351 178.628 176.300 -0.038 0.000 1.120 682 R CA 1.245 57.348 56.100 0.004 0.000 0.967 682 R CB -1.007 29.357 30.300 0.107 0.000 0.862 682 R HN 0.376 nan 8.270 nan 0.000 0.436 683 H N 1.138 120.182 119.070 -0.043 0.000 2.353 683 H HA -0.123 4.430 4.556 -0.005 0.000 0.300 683 H C 2.011 177.263 175.328 -0.127 0.000 1.090 683 H CA 1.490 57.505 56.048 -0.056 0.000 1.327 683 H CB 0.057 29.814 29.762 -0.008 0.000 1.383 683 H HN 0.075 nan 8.280 nan 0.000 0.508 684 L N 0.838 122.047 121.223 -0.024 0.000 1.994 684 L HA -0.130 4.207 4.340 -0.005 0.000 0.208 684 L C 2.593 179.308 176.870 -0.259 0.000 1.071 684 L CA 1.362 56.095 54.840 -0.177 0.000 0.745 684 L CB -0.972 40.819 42.059 -0.447 0.000 0.892 684 L HN 0.237 nan 8.230 nan 0.000 0.431 685 L N -0.834 120.176 121.223 -0.356 0.000 2.079 685 L HA -0.238 4.099 4.340 -0.005 0.000 0.210 685 L C 2.481 179.226 176.870 -0.210 0.000 1.081 685 L CA 1.760 56.427 54.840 -0.288 0.000 0.752 685 L CB -0.328 41.505 42.059 -0.376 0.000 0.896 685 L HN 0.517 nan 8.230 nan 0.000 0.433 686 Q N -1.077 118.590 119.800 -0.220 0.000 2.356 686 Q HA 0.045 4.382 4.340 -0.005 0.000 0.205 686 Q C 2.045 177.892 176.000 -0.254 0.000 0.901 686 Q CA 0.577 56.256 55.803 -0.206 0.000 0.938 686 Q CB 0.369 29.000 28.738 -0.178 0.000 1.081 686 Q HN 0.446 nan 8.270 nan 0.000 0.517 687 A N 2.291 124.937 122.820 -0.290 0.000 1.851 687 A HA -0.131 4.186 4.320 -0.005 0.000 0.216 687 A C -0.406 176.994 177.584 -0.307 0.000 1.195 687 A CA 1.526 53.427 52.037 -0.227 0.000 0.622 687 A CB -1.630 17.373 19.000 0.005 0.000 0.831 687 A HN 0.438 nan 8.150 nan 0.000 0.444 688 P HA -0.093 nan 4.420 nan 0.000 0.218 688 P C 1.575 178.715 177.300 -0.267 0.000 1.149 688 P CA 1.555 64.212 63.100 -0.738 0.000 0.817 688 P CB -0.239 30.842 31.700 -1.032 0.000 0.785 689 V N 1.053 120.838 119.914 -0.214 0.000 2.343 689 V HA -0.218 3.899 4.120 -0.005 0.000 0.247 689 V C 2.233 178.250 176.094 -0.128 0.000 1.051 689 V CA 2.389 64.614 62.300 -0.124 0.000 1.036 689 V CB -1.403 30.353 31.823 -0.111 0.000 0.654 689 V HN 0.049 nan 8.190 nan 0.000 0.451 690 D N 0.087 120.409 120.400 -0.130 0.000 2.078 690 D HA -0.162 4.475 4.640 -0.005 0.000 0.193 690 D C 2.018 178.272 176.300 -0.076 0.000 0.990 690 D CA 1.459 55.399 54.000 -0.100 0.000 0.827 690 D CB -0.463 40.276 40.800 -0.102 0.000 0.975 690 D HN 0.399 nan 8.370 nan 0.000 0.451 691 D N 0.222 120.583 120.400 -0.065 0.000 2.190 691 D HA -0.143 4.494 4.640 -0.005 0.000 0.200 691 D C 1.778 178.042 176.300 -0.060 0.000 0.992 691 D CA 1.153 55.121 54.000 -0.053 0.000 0.854 691 D CB -0.051 40.731 40.800 -0.029 0.000 0.936 691 D HN 0.165 nan 8.370 nan 0.000 0.462 692 A N 0.652 123.435 122.820 -0.062 0.000 2.119 692 A HA -0.134 4.183 4.320 -0.005 0.000 0.217 692 A C 2.116 179.629 177.584 -0.119 0.000 1.153 692 A CA 0.785 52.789 52.037 -0.054 0.000 0.692 692 A CB -0.031 18.983 19.000 0.023 0.000 0.799 692 A HN 0.079 nan 8.150 nan 0.000 0.458 693 Q N 0.251 119.985 119.800 -0.110 0.000 1.969 693 Q HA -0.140 4.197 4.340 -0.005 0.000 0.198 693 Q C 1.772 177.777 176.000 0.008 0.000 0.978 693 Q CA 1.518 57.270 55.803 -0.086 0.000 0.830 693 Q CB -0.651 28.071 28.738 -0.026 0.000 0.896 693 Q HN 0.793 nan 8.270 nan 0.000 0.431 694 E N 0.682 120.900 120.200 0.031 0.000 2.063 694 E HA -0.261 4.086 4.350 -0.005 0.000 0.221 694 E C 2.018 178.646 176.600 0.046 0.000 1.052 694 E CA 1.649 58.082 56.400 0.054 0.000 0.891 694 E CB -0.406 29.296 29.700 0.003 0.000 0.792 694 E HN 0.153 nan 8.360 nan 0.000 0.482 695 I N 0.851 121.412 120.570 -0.014 0.000 2.208 695 I HA -0.207 3.960 4.170 -0.005 0.000 0.245 695 I C 1.679 177.753 176.117 -0.072 0.000 1.097 695 I CA 0.761 62.044 61.300 -0.029 0.000 1.363 695 I CB -0.137 37.837 38.000 -0.043 0.000 1.051 695 I HN 0.096 nan 8.210 nan 0.000 0.413 696 L N 0.660 121.796 121.223 -0.146 0.000 3.499 696 L HA -0.081 4.256 4.340 -0.005 0.000 0.265 696 L C 0.806 177.372 176.870 -0.506 0.000 1.324 696 L CA 1.236 55.903 54.840 -0.289 0.000 1.067 696 L CB -1.486 40.371 42.059 -0.336 0.000 1.487 696 L HN 0.395 nan 8.230 nan 0.000 0.415 697 H N -2.848 116.187 119.070 -0.057 0.000 1.785 697 H HA 0.047 4.600 4.556 -0.005 0.000 0.135 697 H C 1.953 177.270 175.328 -0.017 0.000 1.141 697 H CA 0.894 56.920 56.048 -0.037 0.000 1.104 697 H CB -0.328 29.412 29.762 -0.036 0.000 0.672 697 H HN 0.335 nan 8.280 nan 0.000 0.274 698 S N 1.775 117.553 115.700 0.129 0.000 2.423 698 S HA -0.160 4.307 4.470 -0.005 0.000 0.238 698 S C 1.346 175.989 174.600 0.071 0.000 1.028 698 S CA 0.824 59.069 58.200 0.076 0.000 1.000 698 S CB -0.153 63.076 63.200 0.049 0.000 0.797 698 S HN 0.203 nan 8.310 nan 0.000 0.487 699 R N 0.406 120.927 120.500 0.034 0.000 2.347 699 R HA 0.256 4.593 4.340 -0.005 0.000 0.304 699 R C 0.997 177.328 176.300 0.051 0.000 1.072 699 R CA -0.392 55.717 56.100 0.015 0.000 0.980 699 R CB 0.168 30.377 30.300 -0.152 0.000 0.986 699 R HN 0.271 nan 8.270 nan 0.000 0.448 700 F N 7.320 127.254 119.950 -0.027 0.000 1.990 700 F HA 0.073 4.597 4.527 -0.005 0.000 0.294 700 F C -1.382 174.374 175.800 -0.073 0.000 1.177 700 F CA 0.262 58.233 58.000 -0.049 0.000 1.167 700 F CB -0.981 37.994 39.000 -0.042 0.000 0.971 700 F HN 0.461 nan 8.300 nan 0.000 0.483 701 P HA -0.017 nan 4.420 nan 0.000 0.260 701 P C -0.293 176.737 177.300 -0.450 0.000 1.207 701 P CA 0.395 63.018 63.100 -0.795 0.000 0.780 701 P CB -0.155 31.154 31.700 -0.651 0.000 0.789 702 M N 7.427 126.843 119.600 -0.307 0.000 2.269 702 M HA 0.157 4.634 4.480 -0.005 0.000 0.350 702 M C -2.092 174.080 176.300 -0.213 0.000 1.429 702 M CA -1.366 53.805 55.300 -0.215 0.000 1.063 702 M CB 0.353 32.875 32.600 -0.131 0.000 1.841 702 M HN 0.174 nan 8.290 nan 0.000 0.455 703 P HA 0.122 nan 4.420 nan 0.000 0.274 703 P C -1.387 175.854 177.300 -0.098 0.000 1.231 703 P CA -0.238 62.744 63.100 -0.197 0.000 0.790 703 P CB 0.600 32.147 31.700 -0.255 0.000 0.951 704 R N 1.707 122.165 120.500 -0.071 0.000 2.389 704 R HA 0.161 4.498 4.340 -0.005 0.000 0.295 704 R C -0.493 175.786 176.300 -0.035 0.000 1.075 704 R CA -0.367 55.699 56.100 -0.056 0.000 1.005 704 R CB -0.076 30.165 30.300 -0.098 0.000 0.987 704 R HN 0.463 nan 8.270 nan 0.000 0.452 705 Y N 4.856 125.089 120.300 -0.111 0.000 2.299 705 Y HA 0.393 4.940 4.550 -0.005 0.000 0.326 705 Y C -0.873 174.981 175.900 -0.077 0.000 1.164 705 Y CA -0.539 57.503 58.100 -0.098 0.000 1.234 705 Y CB 0.721 39.128 38.460 -0.088 0.000 1.219 705 Y HN 0.472 nan 8.280 nan 0.000 0.497 706 I N 5.967 126.025 120.570 -0.853 0.000 2.512 706 I HA 0.187 4.354 4.170 -0.005 0.000 0.287 706 I C -1.239 174.486 176.117 -0.653 0.000 1.069 706 I CA -0.622 60.344 61.300 -0.556 0.000 1.056 706 I CB 1.816 39.645 38.000 -0.284 0.000 1.229 706 I HN 0.559 nan 8.210 nan 0.000 0.429 707 D N 5.146 125.320 120.400 -0.377 0.000 2.441 707 D HA 0.399 5.036 4.640 -0.005 0.000 0.231 707 D C -0.690 175.614 176.300 0.007 0.000 1.073 707 D CA 0.150 54.062 54.000 -0.147 0.000 0.850 707 D CB 1.348 42.173 40.800 0.041 0.000 1.062 707 D HN 0.539 nan 8.370 nan 0.000 0.524 708 T N 1.723 116.314 114.554 0.061 0.000 2.742 708 T HA 0.609 4.956 4.350 -0.005 0.000 0.282 708 T C -1.360 173.411 174.700 0.119 0.000 1.025 708 T CA -0.437 61.728 62.100 0.109 0.000 1.020 708 T CB 1.733 70.690 68.868 0.149 0.000 1.317 708 T HN 0.560 nan 8.240 nan 0.000 0.538 709 E N 0.557 120.777 120.200 0.034 0.000 2.439 709 E HA 0.207 4.554 4.350 -0.005 0.000 0.279 709 E C -1.479 175.045 176.600 -0.126 0.000 1.077 709 E CA -0.796 55.471 56.400 -0.223 0.000 0.849 709 E CB 0.376 30.038 29.700 -0.064 0.000 1.408 709 E HN 0.733 nan 8.360 nan 0.000 0.457 710 H N -0.341 118.527 119.070 -0.336 0.000 3.157 710 H HA 0.269 4.822 4.556 -0.005 0.000 0.299 710 H C 1.073 176.450 175.328 0.081 0.000 0.961 710 H CA 2.755 58.852 56.048 0.082 0.000 1.428 710 H CB 0.059 29.883 29.762 0.103 0.000 1.459 710 H HN 0.892 nan 8.280 nan 0.000 0.566 711 G N 2.688 111.296 108.800 -0.321 0.000 2.475 711 G HA2 -0.231 3.726 3.960 -0.005 0.000 0.209 711 G HA3 -0.231 3.726 3.960 -0.005 0.000 0.209 711 G C 0.882 175.736 174.900 -0.077 0.000 1.127 711 G CA 0.002 44.940 45.100 -0.271 0.000 0.681 711 G HN 1.073 nan 8.290 nan 0.000 0.517 712 G N 0.772 109.568 108.800 -0.007 0.000 2.368 712 G HA2 0.423 4.380 3.960 -0.005 0.000 0.233 712 G HA3 0.423 4.380 3.960 -0.005 0.000 0.233 712 G C 1.340 176.263 174.900 0.037 0.000 1.267 712 G CA 1.212 46.331 45.100 0.031 0.000 0.873 712 G HN 1.695 nan 8.290 nan 0.000 0.539 713 S N 0.752 116.468 115.700 0.027 0.000 2.423 713 S HA -0.133 4.334 4.470 -0.005 0.000 0.231 713 S C 1.796 176.402 174.600 0.010 0.000 1.014 713 S CA 1.368 59.573 58.200 0.008 0.000 0.965 713 S CB -0.134 63.069 63.200 0.004 0.000 0.785 713 S HN 0.712 nan 8.310 nan 0.000 0.495 714 Q N 0.529 120.376 119.800 0.080 0.000 2.482 714 Q HA 0.312 4.649 4.340 -0.005 0.000 0.209 714 Q C 2.178 178.295 176.000 0.196 0.000 0.961 714 Q CA 0.535 56.440 55.803 0.170 0.000 0.945 714 Q CB -0.302 28.593 28.738 0.262 0.000 1.012 714 Q HN 0.792 nan 8.270 nan 0.000 0.515 715 A N 1.928 124.840 122.820 0.153 0.000 2.125 715 A HA -0.227 4.090 4.320 -0.005 0.000 0.219 715 A C 2.064 179.685 177.584 0.061 0.000 1.156 715 A CA 1.146 53.301 52.037 0.197 0.000 0.671 715 A CB -0.462 18.714 19.000 0.292 0.000 0.794 715 A HN 0.453 nan 8.150 nan 0.000 0.459 716 R N -1.090 119.375 120.500 -0.059 0.000 2.113 716 R HA -0.209 4.128 4.340 -0.005 0.000 0.244 716 R C 1.687 177.884 176.300 -0.171 0.000 1.142 716 R CA 2.075 58.068 56.100 -0.179 0.000 0.953 716 R CB -1.119 28.974 30.300 -0.344 0.000 0.860 716 R HN 0.403 nan 8.270 nan 0.000 0.438 717 F N 1.165 121.118 119.950 0.006 0.000 2.120 717 F HA -0.196 4.328 4.527 -0.005 0.000 0.300 717 F C 2.373 178.163 175.800 -0.016 0.000 1.095 717 F CA 1.207 59.205 58.000 -0.004 0.000 1.249 717 F CB -0.448 38.552 39.000 -0.000 0.000 0.995 717 F HN 0.050 nan 8.300 nan 0.000 0.480 718 L N 0.335 121.645 121.223 0.145 0.000 2.005 718 L HA -0.124 4.213 4.340 -0.005 0.000 0.207 718 L C 2.018 178.882 176.870 -0.011 0.000 1.072 718 L CA 1.666 56.527 54.840 0.035 0.000 0.744 718 L CB -0.826 41.194 42.059 -0.064 0.000 0.895 718 L HN 0.097 nan 8.230 nan 0.000 0.433 719 L N -0.295 120.906 121.223 -0.038 0.000 2.261 719 L HA -0.157 4.180 4.340 -0.005 0.000 0.216 719 L C 2.239 179.101 176.870 -0.012 0.000 1.114 719 L CA 1.278 56.096 54.840 -0.037 0.000 0.777 719 L CB -0.794 41.243 42.059 -0.036 0.000 0.910 719 L HN 0.548 nan 8.230 nan 0.000 0.440 720 S N -2.337 113.359 115.700 -0.006 0.000 2.535 720 S HA 0.085 4.552 4.470 -0.005 0.000 0.214 720 S C 1.730 176.342 174.600 0.019 0.000 0.980 720 S CA -0.315 57.883 58.200 -0.003 0.000 0.907 720 S CB 0.235 63.418 63.200 -0.027 0.000 0.790 720 S HN 0.237 nan 8.310 nan 0.000 0.510 721 K N 0.991 121.415 120.400 0.040 0.000 2.276 721 K HA 0.363 4.680 4.320 -0.005 0.000 0.198 721 K C 1.160 177.822 176.600 0.103 0.000 1.052 721 K CA 0.175 56.496 56.287 0.057 0.000 0.984 721 K CB -0.326 32.204 32.500 0.050 0.000 0.836 721 K HN 0.328 nan 8.250 nan 0.000 0.490 722 V N 1.344 121.308 119.914 0.084 0.000 3.857 722 V HA 0.032 4.149 4.120 -0.005 0.000 0.275 722 V C 0.389 176.579 176.094 0.160 0.000 0.992 722 V CA 0.287 62.655 62.300 0.112 0.000 0.998 722 V CB 0.070 31.920 31.823 0.045 0.000 1.234 722 V HN 0.750 nan 8.190 nan 0.000 0.438 747 V N 1.231 121.274 119.914 0.215 0.000 5.043 747 V HA 0.304 4.421 4.120 -0.005 0.000 0.147 747 V C 0.738 176.998 176.094 0.277 0.000 0.943 747 V CA 0.434 62.839 62.300 0.175 0.000 1.408 747 V CB -0.101 31.791 31.823 0.115 0.000 2.221 747 V HN 0.305 nan 8.190 nan 0.000 0.440 748 S N 0.625 116.443 115.700 0.195 0.000 2.669 748 S HA 0.360 4.827 4.470 -0.005 0.000 0.270 748 S C 0.711 175.231 174.600 -0.133 0.000 1.225 748 S CA -0.198 58.073 58.200 0.118 0.000 0.991 748 S CB 1.379 64.599 63.200 0.034 0.000 0.987 748 S HN 0.372 nan 8.310 nan 0.000 0.552 749 L N 0.951 121.805 121.223 -0.615 0.000 2.083 749 L HA -0.053 4.285 4.340 -0.005 0.000 0.209 749 L C 2.427 179.121 176.870 -0.292 0.000 1.083 749 L CA 1.907 56.155 54.840 -0.986 0.000 0.752 749 L CB -1.396 40.106 42.059 -0.929 0.000 0.899 749 L HN 0.803 nan 8.230 nan 0.000 0.433 750 Q N -0.843 118.857 119.800 -0.167 0.000 2.002 750 Q HA -0.185 4.152 4.340 -0.005 0.000 0.204 750 Q C 2.211 178.191 176.000 -0.032 0.000 0.988 750 Q CA 2.458 58.217 55.803 -0.074 0.000 0.843 750 Q CB -0.906 27.805 28.738 -0.046 0.000 0.908 750 Q HN 0.408 nan 8.270 nan 0.000 0.420 751 V N 0.439 120.354 119.914 0.002 0.000 2.295 751 V HA -0.252 3.865 4.120 -0.005 0.000 0.246 751 V C 1.913 178.059 176.094 0.087 0.000 1.049 751 V CA 1.869 64.193 62.300 0.040 0.000 1.024 751 V CB -0.707 31.155 31.823 0.065 0.000 0.648 751 V HN 0.327 nan 8.190 nan 0.000 0.447 752 F N 0.268 120.203 119.950 -0.026 0.000 2.065 752 F HA -0.276 4.248 4.527 -0.005 0.000 0.298 752 F C 2.410 178.199 175.800 -0.019 0.000 1.112 752 F CA 2.089 60.101 58.000 0.020 0.000 1.212 752 F CB -0.321 38.677 39.000 -0.002 0.000 0.975 752 F HN 0.032 nan 8.300 nan 0.000 0.476 753 M N 0.163 119.690 119.600 -0.121 0.000 2.080 753 M HA -0.234 4.243 4.480 -0.005 0.000 0.260 753 M C 2.084 178.261 176.300 -0.205 0.000 1.068 753 M CA 1.653 56.825 55.300 -0.214 0.000 1.109 753 M CB -1.533 31.021 32.600 -0.076 0.000 1.342 753 M HN 0.200 nan 8.290 nan 0.000 0.405 754 D N -0.843 119.492 120.400 -0.108 0.000 2.123 754 D HA -0.210 4.427 4.640 -0.005 0.000 0.196 754 D C 1.957 178.212 176.300 -0.076 0.000 0.992 754 D CA 1.247 55.197 54.000 -0.084 0.000 0.833 754 D CB -0.269 40.502 40.800 -0.049 0.000 0.954 754 D HN 0.567 nan 8.370 nan 0.000 0.455 755 H N -0.422 118.531 119.070 -0.195 0.000 2.387 755 H HA -0.136 4.418 4.556 -0.005 0.000 0.299 755 H C 2.261 177.417 175.328 -0.287 0.000 1.090 755 H CA 0.611 56.540 56.048 -0.198 0.000 1.332 755 H CB 0.117 29.785 29.762 -0.155 0.000 1.386 755 H HN 0.036 nan 8.280 nan 0.000 0.516 756 L N 1.435 122.446 121.223 -0.354 0.000 2.056 756 L HA -0.130 4.207 4.340 -0.005 0.000 0.207 756 L C 2.049 178.626 176.870 -0.488 0.000 1.078 756 L CA 1.709 56.248 54.840 -0.501 0.000 0.749 756 L CB -0.415 41.262 42.059 -0.636 0.000 0.901 756 L HN 0.094 nan 8.230 nan 0.000 0.433 757 K N -0.521 119.620 120.400 -0.431 0.000 2.057 757 K HA -0.170 4.147 4.320 -0.005 0.000 0.207 757 K C 2.078 178.490 176.600 -0.313 0.000 1.049 757 K CA 1.635 57.648 56.287 -0.457 0.000 0.931 757 K CB -0.121 32.231 32.500 -0.247 0.000 0.714 757 K HN 0.322 nan 8.250 nan 0.000 0.440 758 K N 0.821 121.110 120.400 -0.185 0.000 2.026 758 K HA -0.109 4.208 4.320 -0.005 0.000 0.208 758 K C 2.073 178.595 176.600 -0.130 0.000 1.048 758 K CA 1.262 57.484 56.287 -0.108 0.000 0.929 758 K CB -0.170 32.310 32.500 -0.033 0.000 0.713 758 K HN 0.082 nan 8.250 nan 0.000 0.439 759 L N 0.405 121.536 121.223 -0.153 0.000 2.141 759 L HA -0.130 4.207 4.340 -0.005 0.000 0.209 759 L C 2.551 179.273 176.870 -0.246 0.000 1.094 759 L CA 0.773 55.511 54.840 -0.170 0.000 0.763 759 L CB -0.541 41.394 42.059 -0.206 0.000 0.908 759 L HN 0.227 nan 8.230 nan 0.000 0.437 760 A N 0.274 122.859 122.820 -0.391 0.000 1.898 760 A HA -0.125 4.192 4.320 -0.005 0.000 0.216 760 A C 2.129 179.394 177.584 -0.533 0.000 1.181 760 A CA 1.652 53.362 52.037 -0.544 0.000 0.620 760 A CB -0.705 17.725 19.000 -0.950 0.000 0.819 760 A HN 0.303 nan 8.150 nan 0.000 0.442 761 V N -0.996 118.676 119.914 -0.404 0.000 3.573 761 V HA 0.082 4.199 4.120 -0.005 0.000 0.270 761 V C 1.271 177.351 176.094 -0.023 0.000 1.221 761 V CA 0.936 63.124 62.300 -0.186 0.000 1.163 761 V CB -1.557 30.255 31.823 -0.018 0.000 0.847 761 V HN 0.622 nan 8.190 nan 0.000 0.468 762 S N 1.405 117.062 115.700 -0.071 0.000 2.337 762 S HA 0.421 4.888 4.470 -0.005 0.000 0.258 762 S C 0.696 175.292 174.600 -0.006 0.000 1.178 762 S CA 0.338 58.526 58.200 -0.021 0.000 1.023 762 S CB 0.252 63.432 63.200 -0.034 0.000 1.136 762 S HN 0.987 nan 8.310 nan 0.000 0.458 763 S N 0.618 116.315 115.700 -0.006 0.000 2.568 763 S HA 0.554 5.021 4.470 -0.005 0.000 0.282 763 S C 0.279 174.875 174.600 -0.007 0.000 1.338 763 S CA -0.469 57.733 58.200 0.003 0.000 1.045 763 S CB -0.215 62.986 63.200 0.002 0.000 0.873 763 S HN 1.166 nan 8.310 nan 0.000 0.516 764 A N 0.000 122.824 122.820 0.007 0.000 2.254 764 A HA 0.000 4.317 4.320 -0.005 0.000 0.244 764 A CA 0.000 52.040 52.037 0.005 0.000 0.836 764 A CB 0.000 19.013 19.000 0.022 0.000 0.831 764 A HN 0.000 nan 8.150 nan 0.000 0.486