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 2asv_1_B DATA FIRST_RESID 1 DATA SEQUENCE SQPIFNDKQF QEALSRQWQR YGLNSAAEMT PRQWWLAVSE ALAEMLRAQP DATA SEQUENCE FAKPVANQRH VNYISMEFLI GRLTGNNLLN LGWYQDVQDS LKAYDINLTD DATA SEQUENCE LLEEEIDPAL GNGGLGRLAA CFLDSMATVG QSATGYGLNY QYGLFRQSFV DATA SEQUENCE DGKQVEAPDD WHRSNYPWFR HNEALDVQVG IGGKVTKDGR WEPEFTITGQ DATA SEQUENCE AWDLPVVGYR NGVAQPLRLW QATHAHPFDL TKFNDGDFLR AEQQGINAEK DATA SEQUENCE LTKVLYPNDN AFEGKKLRLM QQYFQCACSV ADILRRHHLA GRKLHELADY DATA SEQUENCE EVIQLNDTHP TIAIPELLRV LIDEHQMSWD DAWAITSKTF AYTNHTLMPE DATA SEQUENCE ALERWDVKLV KGLLPRHMQI INEINTRFKT LVEKTWPGDE KVWAKLAVVH DATA SEQUENCE DKQVHMANLC VVGGFAVNGV AALHSDLVVK DLFPEYHQLW PNKFHNVTNG DATA SEQUENCE ITPRRWIKQC NPALAALLDK SLQKEWANDL DQLINLEKFA DDAKFRQQYR DATA SEQUENCE EIKQANKVRL AEFVKVRTGI EINPQAIFDI QIKRLHEYKR QHLNLLHILA DATA SEQUENCE LYKEIRENPQ ADRVPRVFLF GAKAAPGYYL AKNIIFAINK VADVINNDPL DATA SEQUENCE VGDKLKVVFL PDYCVSAAEK LIPAADISEQ ISTAGKEASG TGNMKLALNG DATA SEQUENCE ALTVGTLDGA NVEIAEKVGE ENIFIFGHTV EQVKAILAKG YDPVKWRKKD DATA SEQUENCE KVLDAVLKEL ESGKYSDGDK HAFDQMLHSI GKQGGDPYLV MADFAAYVEA DATA SEQUENCE QKQVDVLYRD QEAWTRAAIL NTARCGMFSS DRSIRDYQAR IWQAKR 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.570 174.600 -0.050 0.000 1.055 1 S CA 0.000 58.166 58.200 -0.056 0.000 1.107 1 S CB 0.000 63.181 63.200 -0.031 0.000 0.593 2 Q N 1.588 121.355 119.800 -0.056 0.000 3.042 2 Q HA 0.006 4.343 4.340 -0.005 0.000 0.358 2 Q C -2.122 173.902 176.000 0.040 0.000 1.064 2 Q CA -0.037 55.739 55.803 -0.045 0.000 1.188 2 Q CB -0.405 28.311 28.738 -0.037 0.000 0.967 2 Q HN 0.394 nan 8.270 nan 0.000 0.414 3 P HA 0.005 nan 4.420 nan 0.000 0.269 3 P C -0.794 176.792 177.300 0.476 0.000 1.209 3 P CA 0.163 63.394 63.100 0.218 0.000 0.776 3 P CB 0.507 32.303 31.700 0.160 0.000 0.876 4 I N 3.240 124.040 120.570 0.383 0.000 2.312 4 I HA 0.255 4.422 4.170 -0.005 0.000 0.290 4 I C 0.308 176.487 176.117 0.102 0.000 1.008 4 I CA -0.541 60.917 61.300 0.264 0.000 1.226 4 I CB 0.091 38.156 38.000 0.109 0.000 1.371 4 I HN 0.232 nan 8.210 nan 0.000 0.468 5 F N 7.059 126.793 119.950 -0.361 0.000 2.459 5 F HA 0.300 4.824 4.527 -0.005 0.000 0.346 5 F C 0.381 175.908 175.800 -0.455 0.000 1.128 5 F CA 0.175 57.579 58.000 -0.993 0.000 1.268 5 F CB 0.422 38.644 39.000 -1.297 0.000 1.161 5 F HN 0.521 nan 8.300 nan 0.000 0.583 6 N N 4.455 122.386 118.700 -1.282 0.000 2.500 6 N HA 0.063 4.800 4.740 -0.005 0.000 0.291 6 N C -0.236 174.725 175.510 -0.914 0.000 1.092 6 N CA -0.301 52.300 53.050 -0.749 0.000 0.890 6 N CB 1.412 39.652 38.487 -0.411 0.000 1.466 6 N HN 0.864 nan 8.380 nan 0.000 0.507 7 D N 3.124 123.232 120.400 -0.487 0.000 2.178 7 D HA -0.123 4.514 4.640 -0.005 0.000 0.202 7 D C 1.696 177.969 176.300 -0.046 0.000 0.974 7 D CA 1.330 55.231 54.000 -0.164 0.000 0.841 7 D CB 0.423 41.295 40.800 0.120 0.000 0.953 7 D HN 0.568 nan 8.370 nan 0.000 0.478 8 K N 0.086 120.431 120.400 -0.093 0.000 2.057 8 K HA -0.210 4.108 4.320 -0.005 0.000 0.206 8 K C 2.215 178.760 176.600 -0.091 0.000 1.050 8 K CA 1.066 57.320 56.287 -0.055 0.000 0.935 8 K CB -0.136 32.328 32.500 -0.061 0.000 0.715 8 K HN 0.233 nan 8.250 nan 0.000 0.439 9 Q N -0.266 119.435 119.800 -0.165 0.000 2.124 9 Q HA -0.191 4.146 4.340 -0.005 0.000 0.202 9 Q C 1.967 177.886 176.000 -0.135 0.000 0.977 9 Q CA 1.453 57.155 55.803 -0.167 0.000 0.850 9 Q CB -0.165 28.446 28.738 -0.211 0.000 0.901 9 Q HN 0.384 nan 8.270 nan 0.000 0.429 10 F N 1.280 121.045 119.950 -0.308 0.000 2.134 10 F HA -0.202 4.322 4.527 -0.005 0.000 0.299 10 F C 2.207 177.980 175.800 -0.045 0.000 1.097 10 F CA 1.435 59.338 58.000 -0.162 0.000 1.264 10 F CB -0.082 38.859 39.000 -0.097 0.000 1.001 10 F HN 0.101 nan 8.300 nan 0.000 0.479 11 Q N 0.566 120.322 119.800 -0.072 0.000 2.079 11 Q HA -0.186 4.152 4.340 -0.005 0.000 0.200 11 Q C 2.165 178.076 176.000 -0.148 0.000 0.974 11 Q CA 1.842 57.608 55.803 -0.061 0.000 0.840 11 Q CB -0.612 28.201 28.738 0.126 0.000 0.898 11 Q HN 0.593 nan 8.270 nan 0.000 0.430 12 E N 0.868 120.980 120.200 -0.147 0.000 2.051 12 E HA -0.150 4.197 4.350 -0.005 0.000 0.192 12 E C 1.969 178.402 176.600 -0.279 0.000 0.991 12 E CA 1.063 57.351 56.400 -0.187 0.000 0.799 12 E CB -0.105 29.508 29.700 -0.145 0.000 0.748 12 E HN 0.341 nan 8.360 nan 0.000 0.449 13 A N 1.011 123.660 122.820 -0.285 0.000 1.902 13 A HA -0.168 4.149 4.320 -0.005 0.000 0.217 13 A C 2.145 179.475 177.584 -0.423 0.000 1.181 13 A CA 1.019 52.870 52.037 -0.310 0.000 0.623 13 A CB -0.494 18.366 19.000 -0.233 0.000 0.818 13 A HN 0.217 nan 8.150 nan 0.000 0.443 14 L N 0.785 121.694 121.223 -0.522 0.000 2.056 14 L HA -0.134 4.203 4.340 -0.005 0.000 0.207 14 L C 2.818 179.344 176.870 -0.573 0.000 1.078 14 L CA 2.644 57.163 54.840 -0.533 0.000 0.749 14 L CB -0.627 41.050 42.059 -0.635 0.000 0.901 14 L HN 0.529 nan 8.230 nan 0.000 0.433 15 S N -0.834 114.497 115.700 -0.616 0.000 2.368 15 S HA -0.239 4.228 4.470 -0.005 0.000 0.225 15 S C 2.164 176.008 174.600 -1.260 0.000 1.030 15 S CA 1.044 58.528 58.200 -1.193 0.000 0.999 15 S CB -0.666 62.153 63.200 -0.635 0.000 0.844 15 S HN 0.502 nan 8.310 nan 0.000 0.459 16 R N 0.830 120.889 120.500 -0.735 0.000 2.105 16 R HA -0.058 4.279 4.340 -0.005 0.000 0.239 16 R C 2.685 178.611 176.300 -0.624 0.000 1.135 16 R CA 1.641 57.387 56.100 -0.589 0.000 0.967 16 R CB -0.286 29.769 30.300 -0.407 0.000 0.861 16 R HN 0.541 nan 8.270 nan 0.000 0.442 17 Q N -0.244 119.163 119.800 -0.655 0.000 2.083 17 Q HA -0.159 4.178 4.340 -0.005 0.000 0.198 17 Q C 2.038 177.527 176.000 -0.851 0.000 0.969 17 Q CA 1.399 56.777 55.803 -0.709 0.000 0.838 17 Q CB -0.429 27.966 28.738 -0.571 0.000 0.900 17 Q HN 0.650 nan 8.270 nan 0.000 0.436 18 W N 0.967 121.936 121.300 -0.550 0.000 2.467 18 W HA 0.014 4.671 4.660 -0.005 0.000 0.275 18 W C 1.249 177.605 176.519 -0.272 0.000 1.239 18 W CA 0.318 57.434 57.345 -0.381 0.000 1.266 18 W CB -0.500 28.786 29.460 -0.290 0.000 1.112 18 W HN 0.180 nan 8.180 nan 0.000 0.576 19 Q N 1.080 120.609 119.800 -0.453 0.000 2.079 19 Q HA -0.167 4.171 4.340 -0.005 0.000 0.200 19 Q C 2.450 178.310 176.000 -0.233 0.000 0.974 19 Q CA 1.779 57.393 55.803 -0.314 0.000 0.840 19 Q CB -0.394 28.028 28.738 -0.527 0.000 0.898 19 Q HN 0.236 nan 8.270 nan 0.000 0.430 20 R N -0.195 120.084 120.500 -0.369 0.000 2.152 20 R HA -0.155 4.183 4.340 -0.005 0.000 0.232 20 R C 0.989 177.194 176.300 -0.159 0.000 1.117 20 R CA 1.083 57.003 56.100 -0.299 0.000 0.981 20 R CB 0.100 30.165 30.300 -0.392 0.000 0.870 20 R HN 0.272 nan 8.270 nan 0.000 0.451 21 Y N -0.647 119.619 120.300 -0.056 0.000 2.529 21 Y HA 0.270 4.817 4.550 -0.005 0.000 0.290 21 Y C 1.571 177.468 175.900 -0.005 0.000 1.177 21 Y CA 0.247 58.328 58.100 -0.031 0.000 1.305 21 Y CB -0.005 38.438 38.460 -0.029 0.000 1.047 21 Y HN 0.301 nan 8.280 nan 0.000 0.522 22 G N 0.265 109.138 108.800 0.121 0.000 2.143 22 G HA2 -0.272 3.685 3.960 -0.005 0.000 0.248 22 G HA3 -0.272 3.685 3.960 -0.005 0.000 0.248 22 G C -0.027 174.946 174.900 0.123 0.000 0.991 22 G CA 0.153 45.308 45.100 0.091 0.000 0.689 22 G HN 0.293 nan 8.290 nan 0.000 0.522 23 L N -0.341 121.001 121.223 0.198 0.000 2.399 23 L HA 0.433 4.770 4.340 -0.005 0.000 0.265 23 L C 1.324 178.341 176.870 0.244 0.000 1.089 23 L CA -1.105 53.842 54.840 0.178 0.000 0.802 23 L CB 0.590 42.740 42.059 0.152 0.000 1.180 23 L HN -0.058 nan 8.230 nan 0.000 0.454 24 N N 0.231 118.970 118.700 0.066 0.000 2.463 24 N HA -0.014 4.723 4.740 -0.005 0.000 0.181 24 N C 0.069 175.422 175.510 -0.261 0.000 1.078 24 N CA 0.412 53.483 53.050 0.034 0.000 0.902 24 N CB 0.438 38.918 38.487 -0.011 0.000 0.970 24 N HN 0.721 nan 8.380 nan 0.000 0.451 25 S N -2.263 112.988 115.700 -0.748 0.000 2.597 25 S HA 0.517 4.984 4.470 -0.005 0.000 0.274 25 S C 0.350 174.076 174.600 -1.456 0.000 1.132 25 S CA -0.234 57.125 58.200 -1.403 0.000 0.835 25 S CB 0.822 63.673 63.200 -0.582 0.000 1.092 25 S HN -0.029 nan 8.310 nan 0.000 0.457 26 A N 1.525 123.373 122.820 -1.620 0.000 1.933 26 A HA 0.295 4.612 4.320 -0.005 0.000 0.218 26 A C 2.276 179.624 177.584 -0.393 0.000 1.175 26 A CA 2.091 53.474 52.037 -1.091 0.000 0.628 26 A CB -1.513 17.143 19.000 -0.573 0.000 0.814 26 A HN 1.827 nan 8.150 nan 0.000 0.444 27 A N -0.182 122.572 122.820 -0.109 0.000 2.121 27 A HA -0.105 4.212 4.320 -0.005 0.000 0.218 27 A C 1.698 179.315 177.584 0.055 0.000 1.154 27 A CA 1.302 53.418 52.037 0.132 0.000 0.679 27 A CB -0.445 18.608 19.000 0.088 0.000 0.795 27 A HN 0.665 nan 8.150 nan 0.000 0.458 28 E N -0.630 119.512 120.200 -0.097 0.000 2.482 28 E HA 0.033 4.380 4.350 -0.005 0.000 0.196 28 E C 0.210 176.786 176.600 -0.039 0.000 1.047 28 E CA -0.076 56.288 56.400 -0.061 0.000 0.869 28 E CB -0.111 29.533 29.700 -0.094 0.000 0.836 28 E HN 0.643 nan 8.360 nan 0.000 0.520 29 M N 1.422 120.967 119.600 -0.093 0.000 2.242 29 M HA 0.047 4.524 4.480 -0.005 0.000 0.344 29 M C 0.747 177.096 176.300 0.081 0.000 1.140 29 M CA -0.084 55.130 55.300 -0.144 0.000 1.160 29 M CB 0.925 33.171 32.600 -0.590 0.000 1.491 29 M HN -0.043 nan 8.290 nan 0.000 0.459 30 T N -0.403 114.180 114.554 0.048 0.000 2.828 30 T HA 0.219 4.566 4.350 -0.005 0.000 0.290 30 T C -2.101 172.755 174.700 0.260 0.000 1.019 30 T CA -1.526 60.648 62.100 0.124 0.000 1.031 30 T CB 0.460 69.354 68.868 0.043 0.000 1.001 30 T HN 0.391 nan 8.240 nan 0.000 0.531 31 P HA -0.162 nan 4.420 nan 0.000 0.217 31 P C 1.699 179.177 177.300 0.297 0.000 1.158 31 P CA 1.262 64.523 63.100 0.268 0.000 0.887 31 P CB 0.042 31.836 31.700 0.157 0.000 0.792 32 R N -0.306 120.318 120.500 0.206 0.000 2.073 32 R HA -0.126 4.211 4.340 -0.005 0.000 0.229 32 R C 2.339 178.777 176.300 0.230 0.000 1.120 32 R CA 1.422 57.663 56.100 0.234 0.000 0.967 32 R CB -0.454 29.925 30.300 0.131 0.000 0.862 32 R HN 0.209 nan 8.270 nan 0.000 0.436 33 Q N -0.912 118.918 119.800 0.051 0.000 2.135 33 Q HA -0.231 4.106 4.340 -0.005 0.000 0.204 33 Q C 1.741 177.790 176.000 0.081 0.000 0.981 33 Q CA 1.955 57.689 55.803 -0.115 0.000 0.856 33 Q CB -0.192 28.331 28.738 -0.358 0.000 0.902 33 Q HN 0.471 nan 8.270 nan 0.000 0.425 34 W N -0.468 120.902 121.300 0.116 0.000 2.358 34 W HA -0.216 4.441 4.660 -0.005 0.000 0.303 34 W C 2.058 178.660 176.519 0.138 0.000 1.208 34 W CA 0.792 58.208 57.345 0.118 0.000 1.274 34 W CB -0.339 29.187 29.460 0.109 0.000 1.138 34 W HN 0.326 nan 8.180 nan 0.000 0.515 35 W N 0.398 121.881 121.300 0.306 0.000 2.379 35 W HA -0.166 4.491 4.660 -0.005 0.000 0.307 35 W C 1.981 178.576 176.519 0.128 0.000 1.200 35 W CA 1.887 59.355 57.345 0.206 0.000 1.297 35 W CB -0.877 28.686 29.460 0.170 0.000 1.140 35 W HN -0.237 nan 8.180 nan 0.000 0.507 36 L N 0.843 121.972 121.223 -0.157 0.000 2.043 36 L HA -0.272 4.065 4.340 -0.005 0.000 0.212 36 L C 2.717 179.396 176.870 -0.319 0.000 1.075 36 L CA 1.860 56.452 54.840 -0.412 0.000 0.752 36 L CB -1.394 40.648 42.059 -0.028 0.000 0.891 36 L HN 0.164 nan 8.230 nan 0.000 0.432 37 A N -0.770 121.994 122.820 -0.094 0.000 1.872 37 A HA -0.100 4.218 4.320 -0.005 0.000 0.214 37 A C 2.327 179.788 177.584 -0.205 0.000 1.187 37 A CA 1.432 53.384 52.037 -0.143 0.000 0.614 37 A CB -0.756 18.181 19.000 -0.104 0.000 0.826 37 A HN 0.157 nan 8.150 nan 0.000 0.442 38 V N 0.155 120.020 119.914 -0.082 0.000 2.295 38 V HA -0.227 3.890 4.120 -0.005 0.000 0.246 38 V C 2.821 178.847 176.094 -0.112 0.000 1.049 38 V CA 2.405 64.727 62.300 0.038 0.000 1.024 38 V CB -0.766 31.202 31.823 0.242 0.000 0.648 38 V HN 0.564 nan 8.190 nan 0.000 0.447 39 S N -0.700 114.762 115.700 -0.396 0.000 2.368 39 S HA -0.188 4.279 4.470 -0.005 0.000 0.225 39 S C 1.927 176.012 174.600 -0.859 0.000 1.030 39 S CA 1.300 59.090 58.200 -0.684 0.000 0.999 39 S CB -0.275 62.273 63.200 -1.087 0.000 0.844 39 S HN 0.628 nan 8.310 nan 0.000 0.459 40 E N 1.253 121.066 120.200 -0.646 0.000 2.106 40 E HA -0.046 4.301 4.350 -0.005 0.000 0.192 40 E C 2.369 178.735 176.600 -0.391 0.000 0.984 40 E CA 0.924 57.006 56.400 -0.531 0.000 0.806 40 E CB -0.260 29.208 29.700 -0.386 0.000 0.750 40 E HN 0.498 nan 8.360 nan 0.000 0.458 41 A N 1.344 123.980 122.820 -0.308 0.000 1.902 41 A HA -0.140 4.177 4.320 -0.005 0.000 0.217 41 A C 2.284 179.843 177.584 -0.042 0.000 1.181 41 A CA 0.980 52.893 52.037 -0.205 0.000 0.623 41 A CB -0.623 18.216 19.000 -0.268 0.000 0.818 41 A HN 0.131 nan 8.150 nan 0.000 0.443 42 L N -0.827 120.401 121.223 0.009 0.000 2.093 42 L HA -0.157 4.180 4.340 -0.005 0.000 0.208 42 L C 3.081 179.985 176.870 0.058 0.000 1.085 42 L CA 0.952 55.917 54.840 0.209 0.000 0.755 42 L CB -0.563 41.700 42.059 0.340 0.000 0.904 42 L HN 0.423 nan 8.230 nan 0.000 0.435 43 A N 0.057 122.627 122.820 -0.418 0.000 1.902 43 A HA -0.230 4.087 4.320 -0.005 0.000 0.217 43 A C 2.183 179.742 177.584 -0.042 0.000 1.181 43 A CA 1.729 53.596 52.037 -0.285 0.000 0.623 43 A CB -0.442 18.217 19.000 -0.569 0.000 0.818 43 A HN 0.454 nan 8.150 nan 0.000 0.443 44 E N -0.627 119.520 120.200 -0.088 0.000 2.058 44 E HA -0.211 4.136 4.350 -0.005 0.000 0.194 44 E C 2.129 178.753 176.600 0.040 0.000 0.997 44 E CA 1.593 57.969 56.400 -0.040 0.000 0.801 44 E CB -0.307 29.338 29.700 -0.091 0.000 0.746 44 E HN 0.677 nan 8.360 nan 0.000 0.450 45 M N 0.282 119.946 119.600 0.106 0.000 2.080 45 M HA -0.179 4.298 4.480 -0.005 0.000 0.260 45 M C 2.459 178.930 176.300 0.284 0.000 1.068 45 M CA 1.020 56.446 55.300 0.210 0.000 1.109 45 M CB -0.307 32.491 32.600 0.330 0.000 1.342 45 M HN 0.127 nan 8.290 nan 0.000 0.405 46 L N 0.617 122.017 121.223 0.294 0.000 2.042 46 L HA -0.200 4.137 4.340 -0.005 0.000 0.210 46 L C 2.311 179.268 176.870 0.145 0.000 1.076 46 L CA 1.969 56.934 54.840 0.208 0.000 0.749 46 L CB -0.437 41.763 42.059 0.235 0.000 0.893 46 L HN 0.166 nan 8.230 nan 0.000 0.432 47 R N -1.004 119.569 120.500 0.122 0.000 2.276 47 R HA 0.121 4.458 4.340 -0.005 0.000 0.203 47 R C 1.909 178.249 176.300 0.066 0.000 1.017 47 R CA 0.652 56.802 56.100 0.083 0.000 1.010 47 R CB -0.272 30.063 30.300 0.057 0.000 0.900 47 R HN 0.466 nan 8.270 nan 0.000 0.469 48 A N 0.593 123.457 122.820 0.074 0.000 2.218 48 A HA 0.026 4.343 4.320 -0.005 0.000 0.209 48 A C 0.579 178.208 177.584 0.075 0.000 1.168 48 A CA 0.188 52.258 52.037 0.056 0.000 0.804 48 A CB 0.201 19.223 19.000 0.037 0.000 0.834 48 A HN 0.083 nan 8.150 nan 0.000 0.482 49 Q N 1.193 121.056 119.800 0.105 0.000 2.373 49 Q HA 0.272 4.609 4.340 -0.005 0.000 0.255 49 Q C -2.233 173.823 176.000 0.094 0.000 0.980 49 Q CA -1.587 54.282 55.803 0.109 0.000 0.882 49 Q CB 0.199 29.010 28.738 0.122 0.000 1.249 49 Q HN 0.326 nan 8.270 nan 0.000 0.438 50 P HA 0.030 nan 4.420 nan 0.000 0.269 50 P C -0.463 176.912 177.300 0.125 0.000 1.209 50 P CA -0.298 62.862 63.100 0.100 0.000 0.776 50 P CB 0.312 32.055 31.700 0.072 0.000 0.876 51 F N 2.153 122.105 119.950 0.003 0.000 2.541 51 F HA 0.325 4.849 4.527 -0.005 0.000 0.378 51 F C 0.070 175.868 175.800 -0.003 0.000 1.068 51 F CA -0.505 57.494 58.000 -0.002 0.000 1.199 51 F CB 0.098 39.095 39.000 -0.005 0.000 1.091 51 F HN 0.412 nan 8.300 nan 0.000 0.555 52 A N 7.629 130.128 122.820 -0.534 0.000 2.289 52 A HA 0.425 4.742 4.320 -0.005 0.000 0.298 52 A C -0.477 176.513 177.584 -0.991 0.000 1.208 52 A CA -0.927 50.783 52.037 -0.546 0.000 0.845 52 A CB 0.147 18.966 19.000 -0.302 0.000 1.125 52 A HN 0.806 nan 8.150 nan 0.000 0.517 53 K N 3.496 123.468 120.400 -0.712 0.000 2.218 53 K HA 0.533 4.850 4.320 -0.005 0.000 0.276 53 K C -2.561 173.866 176.600 -0.289 0.000 1.022 53 K CA -1.312 54.625 56.287 -0.584 0.000 0.946 53 K CB 0.361 32.801 32.500 -0.101 0.000 1.000 53 K HN 0.399 nan 8.250 nan 0.000 0.468 54 P HA 0.009 nan 4.420 nan 0.000 0.275 54 P C -0.341 176.947 177.300 -0.021 0.000 1.266 54 P CA -0.688 62.372 63.100 -0.066 0.000 0.793 54 P CB 0.368 32.070 31.700 0.003 0.000 1.074 55 V N 0.196 120.105 119.914 -0.009 0.000 2.694 55 V HA 0.186 4.303 4.120 -0.005 0.000 0.306 55 V C 1.064 177.177 176.094 0.032 0.000 1.054 55 V CA 0.357 62.662 62.300 0.009 0.000 1.161 55 V CB -0.319 31.511 31.823 0.012 0.000 0.916 55 V HN 0.788 nan 8.190 nan 0.000 0.490 56 A N 3.724 126.564 122.820 0.034 0.000 2.252 56 A HA 0.522 4.839 4.320 -0.005 0.000 0.305 56 A C 0.681 178.295 177.584 0.051 0.000 1.097 56 A CA -0.312 51.755 52.037 0.050 0.000 0.849 56 A CB -0.221 18.805 19.000 0.044 0.000 1.142 56 A HN 1.081 nan 8.150 nan 0.000 0.499 57 N N -0.393 118.345 118.700 0.063 0.000 2.705 57 N HA -0.166 4.571 4.740 -0.005 0.000 0.255 57 N C -0.862 174.671 175.510 0.038 0.000 1.008 57 N CA 0.890 53.970 53.050 0.050 0.000 0.742 57 N CB -1.029 37.476 38.487 0.030 0.000 0.906 57 N HN 0.692 nan 8.380 nan 0.000 0.541 58 Q N 0.175 120.012 119.800 0.062 0.000 2.372 58 Q HA 0.366 4.703 4.340 -0.005 0.000 0.273 58 Q C -0.305 175.746 176.000 0.084 0.000 1.078 58 Q CA -0.938 54.901 55.803 0.060 0.000 0.806 58 Q CB 2.108 30.887 28.738 0.068 0.000 1.332 58 Q HN 0.213 nan 8.270 nan 0.000 0.435 59 R N 1.096 121.633 120.500 0.062 0.000 2.638 59 R HA -0.043 4.294 4.340 -0.005 0.000 0.268 59 R C -0.037 176.330 176.300 0.111 0.000 1.006 59 R CA 0.277 56.429 56.100 0.088 0.000 1.088 59 R CB 0.088 30.419 30.300 0.053 0.000 0.950 59 R HN 0.540 nan 8.270 nan 0.000 0.419 60 H N 1.220 120.312 119.070 0.037 0.000 2.610 60 H HA 0.182 4.735 4.556 -0.005 0.000 0.336 60 H C -0.695 174.582 175.328 -0.085 0.000 1.087 60 H CA -0.335 55.711 56.048 -0.004 0.000 1.405 60 H CB 0.819 30.603 29.762 0.036 0.000 1.460 60 H HN 0.170 nan 8.280 nan 0.000 0.538 61 V N 6.131 125.762 119.914 -0.471 0.000 2.383 61 V HA 0.146 4.263 4.120 -0.005 0.000 0.275 61 V C -0.210 175.694 176.094 -0.318 0.000 1.036 61 V CA -0.811 61.168 62.300 -0.533 0.000 0.889 61 V CB 1.063 32.301 31.823 -0.975 0.000 0.985 61 V HN 0.849 nan 8.190 nan 0.000 0.459 62 N N 4.259 122.925 118.700 -0.056 0.000 2.501 62 N HA 0.246 4.984 4.740 -0.005 0.000 0.245 62 N C -1.188 174.456 175.510 0.222 0.000 0.974 62 N CA -0.330 52.849 53.050 0.215 0.000 0.941 62 N CB 1.720 40.429 38.487 0.371 0.000 1.122 62 N HN 0.699 nan 8.380 nan 0.000 0.507 63 Y N 3.142 123.521 120.300 0.132 0.000 2.454 63 Y HA 0.388 4.935 4.550 -0.005 0.000 0.345 63 Y C -0.115 176.023 175.900 0.396 0.000 0.970 63 Y CA -0.594 57.629 58.100 0.204 0.000 1.204 63 Y CB 0.435 38.993 38.460 0.164 0.000 1.122 63 Y HN 0.388 nan 8.280 nan 0.000 0.514 64 I N 5.332 125.990 120.570 0.146 0.000 2.312 64 I HA 0.294 4.461 4.170 -0.005 0.000 0.290 64 I C -0.127 176.061 176.117 0.118 0.000 1.008 64 I CA -0.307 61.154 61.300 0.268 0.000 1.226 64 I CB 1.040 39.181 38.000 0.235 0.000 1.371 64 I HN 0.461 nan 8.210 nan 0.000 0.468 65 S N 5.871 121.707 115.700 0.225 0.000 2.540 65 S HA 0.443 4.910 4.470 -0.005 0.000 0.275 65 S C 0.693 175.398 174.600 0.175 0.000 1.123 65 S CA -0.732 57.491 58.200 0.039 0.000 0.907 65 S CB 1.834 64.806 63.200 -0.381 0.000 1.081 65 S HN 0.645 nan 8.310 nan 0.000 0.476 66 M N 2.120 121.843 119.600 0.205 0.000 2.358 66 M HA -0.016 4.461 4.480 -0.005 0.000 0.264 66 M C 0.371 176.780 176.300 0.182 0.000 1.064 66 M CA 1.264 56.684 55.300 0.200 0.000 1.093 66 M CB -0.530 32.112 32.600 0.071 0.000 1.401 66 M HN 0.727 nan 8.290 nan 0.000 0.440 67 E N -0.761 119.458 120.200 0.031 0.000 2.314 67 E HA 0.500 4.847 4.350 -0.005 0.000 0.272 67 E C -1.412 175.074 176.600 -0.191 0.000 0.884 67 E CA -0.689 55.721 56.400 0.017 0.000 0.753 67 E CB 1.410 31.068 29.700 -0.069 0.000 1.213 67 E HN -0.029 nan 8.360 nan 0.000 0.432 68 F N 2.250 122.238 119.950 0.064 0.000 2.646 68 F HA 0.253 4.778 4.527 -0.004 0.000 0.364 68 F C -0.702 175.076 175.800 -0.037 0.000 1.137 68 F CA -0.877 57.139 58.000 0.028 0.000 1.085 68 F CB 1.626 40.643 39.000 0.029 0.000 1.331 68 F HN 0.435 nan 8.300 nan 0.000 0.472 69 L N 5.978 127.240 121.223 0.065 0.000 2.423 69 L HA 0.305 4.642 4.340 -0.005 0.000 0.249 69 L C 1.267 178.146 176.870 0.015 0.000 1.276 69 L CA 0.362 55.202 54.840 -0.000 0.000 1.199 69 L CB -0.638 41.413 42.059 -0.013 0.000 1.407 69 L HN 0.656 nan 8.230 nan 0.000 0.410 70 I N -0.394 120.169 120.570 -0.012 0.000 2.546 70 I HA 0.283 4.450 4.170 -0.005 0.000 0.255 70 I C 1.295 177.369 176.117 -0.072 0.000 1.163 70 I CA 0.457 61.740 61.300 -0.028 0.000 1.457 70 I CB -0.930 37.032 38.000 -0.064 0.000 1.092 70 I HN 0.554 nan 8.210 nan 0.000 0.434 71 G N 1.650 110.391 108.800 -0.098 0.000 2.796 71 G HA2 -0.260 3.698 3.960 -0.005 0.000 0.226 71 G HA3 -0.260 3.698 3.960 -0.005 0.000 0.226 71 G C -0.320 174.534 174.900 -0.076 0.000 1.381 71 G CA -0.296 44.742 45.100 -0.104 0.000 0.867 71 G HN 0.578 nan 8.290 nan 0.000 0.552 72 R N -0.630 119.851 120.500 -0.032 0.000 2.585 72 R HA 0.246 4.584 4.340 -0.005 0.000 0.275 72 R C 1.391 177.732 176.300 0.068 0.000 1.018 72 R CA 0.263 56.411 56.100 0.080 0.000 1.072 72 R CB 0.195 30.538 30.300 0.072 0.000 0.953 72 R HN 0.441 nan 8.270 nan 0.000 0.419 73 L N 1.433 122.756 121.223 0.167 0.000 2.470 73 L HA 0.004 4.342 4.340 -0.005 0.000 0.219 73 L C 1.873 178.709 176.870 -0.057 0.000 1.071 73 L CA 0.469 55.276 54.840 -0.054 0.000 0.850 73 L CB 0.054 41.955 42.059 -0.264 0.000 1.040 73 L HN 0.718 nan 8.230 nan 0.000 0.475 74 T N 0.150 114.884 114.554 0.301 0.000 2.737 74 T HA -0.111 4.236 4.350 -0.005 0.000 0.265 74 T C 1.897 176.756 174.700 0.265 0.000 1.038 74 T CA 1.547 63.916 62.100 0.450 0.000 1.144 74 T CB -0.406 68.877 68.868 0.692 0.000 0.866 74 T HN 0.505 nan 8.240 nan 0.000 0.434 75 G N 1.497 110.446 108.800 0.248 0.000 2.459 75 G HA2 -0.326 3.631 3.960 -0.005 0.000 0.217 75 G HA3 -0.326 3.631 3.960 -0.005 0.000 0.217 75 G C 1.484 176.479 174.900 0.158 0.000 1.183 75 G CA 1.371 46.627 45.100 0.260 0.000 0.776 75 G HN 0.574 nan 8.290 nan 0.000 0.552 76 N N 0.912 119.626 118.700 0.024 0.000 2.069 76 N HA -0.148 4.589 4.740 -0.005 0.000 0.191 76 N C 2.018 177.472 175.510 -0.092 0.000 1.031 76 N CA 1.868 54.878 53.050 -0.066 0.000 0.852 76 N CB -0.231 38.177 38.487 -0.133 0.000 1.018 76 N HN 0.202 nan 8.380 nan 0.000 0.423 77 N N 0.081 118.686 118.700 -0.158 0.000 2.142 77 N HA -0.043 4.694 4.740 -0.005 0.000 0.186 77 N C 1.650 177.077 175.510 -0.138 0.000 1.023 77 N CA 0.678 53.578 53.050 -0.251 0.000 0.852 77 N CB -0.366 37.799 38.487 -0.536 0.000 0.998 77 N HN 0.305 nan 8.380 nan 0.000 0.424 78 L N 0.459 121.695 121.223 0.021 0.000 2.012 78 L HA -0.148 4.189 4.340 -0.005 0.000 0.210 78 L C 2.329 179.246 176.870 0.078 0.000 1.073 78 L CA 0.866 55.765 54.840 0.099 0.000 0.748 78 L CB -0.477 41.709 42.059 0.212 0.000 0.891 78 L HN 0.174 nan 8.230 nan 0.000 0.431 79 L N -0.133 121.156 121.223 0.109 0.000 2.012 79 L HA -0.251 4.086 4.340 -0.005 0.000 0.210 79 L C 2.281 179.127 176.870 -0.040 0.000 1.073 79 L CA 1.684 56.548 54.840 0.040 0.000 0.748 79 L CB -0.330 41.730 42.059 0.001 0.000 0.891 79 L HN 0.298 nan 8.230 nan 0.000 0.431 80 N N -0.284 118.370 118.700 -0.077 0.000 2.216 80 N HA -0.100 4.637 4.740 -0.005 0.000 0.183 80 N C 1.807 177.124 175.510 -0.322 0.000 1.017 80 N CA 1.276 54.246 53.050 -0.133 0.000 0.861 80 N CB -0.284 38.150 38.487 -0.090 0.000 0.986 80 N HN 0.353 nan 8.380 nan 0.000 0.428 81 L N -0.581 120.418 121.223 -0.374 0.000 2.291 81 L HA 0.052 4.389 4.340 -0.005 0.000 0.214 81 L C 1.103 177.717 176.870 -0.426 0.000 1.120 81 L CA 0.672 55.154 54.840 -0.596 0.000 0.799 81 L CB -0.443 40.928 42.059 -1.147 0.000 0.925 81 L HN 0.266 nan 8.230 nan 0.000 0.446 82 G N -1.680 106.994 108.800 -0.210 0.000 2.160 82 G HA2 -0.242 3.715 3.960 -0.005 0.000 0.244 82 G HA3 -0.242 3.715 3.960 -0.005 0.000 0.244 82 G C 0.026 175.072 174.900 0.243 0.000 1.022 82 G CA 0.038 45.128 45.100 -0.017 0.000 0.741 82 G HN 0.350 nan 8.290 nan 0.000 0.508 83 W N -1.182 120.075 121.300 -0.071 0.000 3.127 83 W HA 0.407 5.064 4.660 -0.004 0.000 0.344 83 W C 1.567 177.932 176.519 -0.256 0.000 1.151 83 W CA -0.773 56.448 57.345 -0.206 0.000 1.765 83 W CB -0.850 28.512 29.460 -0.163 0.000 1.085 83 W HN 0.360 nan 8.180 nan 0.000 0.596 84 Y N 2.029 122.332 120.300 0.005 0.000 2.114 84 Y HA -0.334 4.213 4.550 -0.005 0.000 0.284 84 Y C 2.688 178.525 175.900 -0.106 0.000 1.143 84 Y CA 2.885 60.961 58.100 -0.040 0.000 1.135 84 Y CB -0.457 37.995 38.460 -0.013 0.000 0.980 84 Y HN -0.001 nan 8.280 nan 0.000 0.499 85 Q N 0.304 120.189 119.800 0.141 0.000 2.167 85 Q HA -0.153 4.184 4.340 -0.005 0.000 0.202 85 Q C 1.605 177.523 176.000 -0.137 0.000 0.970 85 Q CA 2.018 57.850 55.803 0.048 0.000 0.855 85 Q CB -0.303 28.473 28.738 0.062 0.000 0.911 85 Q HN 0.434 nan 8.270 nan 0.000 0.438 86 D N -0.769 119.459 120.400 -0.287 0.000 2.117 86 D HA -0.126 4.511 4.640 -0.005 0.000 0.197 86 D C 1.793 177.700 176.300 -0.655 0.000 0.987 86 D CA 1.365 55.049 54.000 -0.527 0.000 0.829 86 D CB -0.074 40.147 40.800 -0.966 0.000 0.961 86 D HN 0.181 nan 8.370 nan 0.000 0.460 87 V N 0.692 120.149 119.914 -0.762 0.000 2.453 87 V HA -0.200 3.917 4.120 -0.005 0.000 0.247 87 V C 2.549 178.419 176.094 -0.373 0.000 1.048 87 V CA 1.438 63.313 62.300 -0.707 0.000 1.049 87 V CB -0.445 31.008 31.823 -0.616 0.000 0.672 87 V HN 0.198 nan 8.190 nan 0.000 0.457 88 Q N -0.218 119.391 119.800 -0.318 0.000 2.124 88 Q HA -0.259 4.078 4.340 -0.005 0.000 0.202 88 Q C 1.810 177.756 176.000 -0.090 0.000 0.977 88 Q CA 2.048 57.739 55.803 -0.187 0.000 0.850 88 Q CB -0.059 28.595 28.738 -0.139 0.000 0.901 88 Q HN 0.621 nan 8.270 nan 0.000 0.429 89 D N -0.416 119.925 120.400 -0.098 0.000 2.123 89 D HA -0.071 4.566 4.640 -0.005 0.000 0.200 89 D C 1.963 178.276 176.300 0.021 0.000 0.976 89 D CA 1.166 55.145 54.000 -0.034 0.000 0.831 89 D CB -0.217 40.561 40.800 -0.037 0.000 0.974 89 D HN 0.121 nan 8.370 nan 0.000 0.469 90 S N 0.121 115.831 115.700 0.016 0.000 2.419 90 S HA -0.022 4.446 4.470 -0.005 0.000 0.233 90 S C 2.007 176.821 174.600 0.356 0.000 1.016 90 S CA 0.467 58.784 58.200 0.196 0.000 0.974 90 S CB -0.013 63.320 63.200 0.222 0.000 0.786 90 S HN 0.243 nan 8.310 nan 0.000 0.492 91 L N 0.521 121.891 121.223 0.244 0.000 2.446 91 L HA 0.126 4.463 4.340 -0.005 0.000 0.219 91 L C 2.278 179.265 176.870 0.195 0.000 1.116 91 L CA 0.509 55.533 54.840 0.308 0.000 0.844 91 L CB -0.220 41.913 42.059 0.123 0.000 0.970 91 L HN 0.154 nan 8.230 nan 0.000 0.457 92 K N 0.698 121.159 120.400 0.101 0.000 2.103 92 K HA -0.166 4.151 4.320 -0.005 0.000 0.207 92 K C 2.112 178.736 176.600 0.041 0.000 1.048 92 K CA 1.413 57.728 56.287 0.046 0.000 0.930 92 K CB -0.140 32.374 32.500 0.023 0.000 0.716 92 K HN 0.289 nan 8.250 nan 0.000 0.444 93 A N 0.087 122.931 122.820 0.041 0.000 2.125 93 A HA -0.152 4.165 4.320 -0.005 0.000 0.219 93 A C 1.208 178.690 177.584 -0.170 0.000 1.156 93 A CA 1.178 53.162 52.037 -0.088 0.000 0.671 93 A CB -0.427 18.471 19.000 -0.171 0.000 0.794 93 A HN 0.335 nan 8.150 nan 0.000 0.459 94 Y N -0.709 119.625 120.300 0.056 0.000 2.458 94 Y HA 0.152 4.699 4.550 -0.005 0.000 0.256 94 Y C 0.118 175.981 175.900 -0.062 0.000 1.159 94 Y CA -0.192 57.943 58.100 0.057 0.000 1.261 94 Y CB 0.429 38.992 38.460 0.172 0.000 1.119 94 Y HN 0.314 nan 8.280 nan 0.000 0.524 95 D N 0.315 120.737 120.400 0.037 0.000 2.800 95 D HA -0.165 4.472 4.640 -0.005 0.000 0.232 95 D C -0.713 175.515 176.300 -0.119 0.000 1.137 95 D CA 0.638 54.620 54.000 -0.030 0.000 0.718 95 D CB -1.098 39.691 40.800 -0.019 0.000 1.084 95 D HN 0.160 nan 8.370 nan 0.000 0.432 96 I N 0.946 121.414 120.570 -0.169 0.000 2.378 96 I HA 0.194 4.361 4.170 -0.005 0.000 0.291 96 I C 0.737 176.762 176.117 -0.153 0.000 0.992 96 I CA -0.684 60.431 61.300 -0.308 0.000 1.154 96 I CB 1.508 39.123 38.000 -0.641 0.000 1.315 96 I HN -0.120 nan 8.210 nan 0.000 0.448 97 N N 4.750 123.378 118.700 -0.120 0.000 2.420 97 N HA 0.131 4.868 4.740 -0.005 0.000 0.249 97 N C 0.911 176.394 175.510 -0.045 0.000 1.033 97 N CA -0.415 52.601 53.050 -0.056 0.000 0.944 97 N CB 0.877 39.347 38.487 -0.028 0.000 1.113 97 N HN 0.515 nan 8.380 nan 0.000 0.502 98 L N 3.521 124.717 121.223 -0.044 0.000 2.043 98 L HA -0.162 4.175 4.340 -0.005 0.000 0.212 98 L C 1.736 178.622 176.870 0.025 0.000 1.075 98 L CA 2.004 56.815 54.840 -0.049 0.000 0.752 98 L CB -1.039 40.906 42.059 -0.190 0.000 0.891 98 L HN 0.673 nan 8.230 nan 0.000 0.432 99 T N -0.522 114.071 114.554 0.065 0.000 2.746 99 T HA -0.157 4.190 4.350 -0.005 0.000 0.267 99 T C 1.449 176.201 174.700 0.087 0.000 1.039 99 T CA 1.567 63.737 62.100 0.116 0.000 1.142 99 T CB -0.331 68.607 68.868 0.117 0.000 0.866 99 T HN 0.411 nan 8.240 nan 0.000 0.444 100 D N 0.944 121.378 120.400 0.058 0.000 2.117 100 D HA -0.009 4.629 4.640 -0.005 0.000 0.198 100 D C 2.054 178.394 176.300 0.066 0.000 0.982 100 D CA 0.452 54.482 54.000 0.051 0.000 0.828 100 D CB -0.580 40.235 40.800 0.025 0.000 0.967 100 D HN 0.259 nan 8.370 nan 0.000 0.464 101 L N 0.432 121.700 121.223 0.075 0.000 2.042 101 L HA -0.169 4.169 4.340 -0.005 0.000 0.210 101 L C 2.167 179.170 176.870 0.221 0.000 1.076 101 L CA 1.125 56.057 54.840 0.154 0.000 0.749 101 L CB -0.148 42.008 42.059 0.161 0.000 0.893 101 L HN 0.023 nan 8.230 nan 0.000 0.432 102 L N -0.462 120.878 121.223 0.195 0.000 2.131 102 L HA -0.180 4.158 4.340 -0.005 0.000 0.210 102 L C 2.504 179.392 176.870 0.030 0.000 1.092 102 L CA 0.890 55.850 54.840 0.200 0.000 0.759 102 L CB -0.706 41.473 42.059 0.200 0.000 0.903 102 L HN 0.337 nan 8.230 nan 0.000 0.435 103 E N 0.104 120.319 120.200 0.024 0.000 2.401 103 E HA -0.184 4.164 4.350 -0.005 0.000 0.199 103 E C 1.808 178.354 176.600 -0.091 0.000 1.023 103 E CA 0.584 56.975 56.400 -0.014 0.000 0.859 103 E CB -0.035 29.688 29.700 0.037 0.000 0.780 103 E HN 0.498 nan 8.360 nan 0.000 0.523 104 E N 0.921 121.028 120.200 -0.155 0.000 2.268 104 E HA -0.105 4.242 4.350 -0.005 0.000 0.195 104 E C 0.748 177.012 176.600 -0.560 0.000 0.995 104 E CA 0.256 56.515 56.400 -0.236 0.000 0.836 104 E CB -0.090 29.557 29.700 -0.088 0.000 0.763 104 E HN 0.386 nan 8.360 nan 0.000 0.491 105 E N 1.099 120.770 120.200 -0.881 0.000 2.299 105 E HA 0.070 4.418 4.350 -0.005 0.000 0.272 105 E C -0.383 176.016 176.600 -0.336 0.000 1.043 105 E CA -0.168 55.613 56.400 -1.032 0.000 0.895 105 E CB 0.390 29.702 29.700 -0.647 0.000 1.011 105 E HN -0.012 nan 8.360 nan 0.000 0.432 106 I N 4.676 125.146 120.570 -0.167 0.000 2.396 106 I HA 0.003 4.170 4.170 -0.005 0.000 0.289 106 I C -0.040 176.113 176.117 0.060 0.000 1.056 106 I CA -0.487 60.820 61.300 0.012 0.000 1.365 106 I CB 0.635 38.700 38.000 0.108 0.000 1.407 106 I HN 0.537 nan 8.210 nan 0.000 0.509 107 D N 9.147 129.537 120.400 -0.016 0.000 2.586 107 D HA 0.017 4.654 4.640 -0.005 0.000 0.234 107 D C -2.269 173.895 176.300 -0.226 0.000 1.132 107 D CA -0.399 53.547 54.000 -0.089 0.000 0.860 107 D CB 0.118 40.842 40.800 -0.126 0.000 1.159 107 D HN 0.220 nan 8.370 nan 0.000 0.490 108 P HA 0.053 nan 4.420 nan 0.000 0.260 108 P C -0.792 175.837 177.300 -1.117 0.000 1.185 108 P CA 0.061 62.400 63.100 -1.267 0.000 0.763 108 P CB 0.503 31.471 31.700 -1.220 0.000 0.776 109 A N 4.588 126.516 122.820 -1.487 0.000 3.056 109 A HA 0.233 4.550 4.320 -0.005 0.000 0.274 109 A C 0.645 177.980 177.584 -0.415 0.000 1.661 109 A CA -0.024 51.627 52.037 -0.644 0.000 1.363 109 A CB -1.049 17.786 19.000 -0.274 0.000 1.139 109 A HN 0.607 nan 8.150 nan 0.000 0.598 110 L N 0.642 121.671 121.223 -0.323 0.000 2.966 110 L HA 0.371 4.708 4.340 -0.005 0.000 0.262 110 L C 0.987 177.866 176.870 0.016 0.000 1.165 110 L CA 0.234 55.049 54.840 -0.042 0.000 0.978 110 L CB 0.698 42.699 42.059 -0.096 0.000 1.337 110 L HN 0.659 nan 8.230 nan 0.000 0.563 111 G N -1.123 107.614 108.800 -0.105 0.000 2.687 111 G HA2 0.214 4.171 3.960 -0.005 0.000 0.291 111 G HA3 0.214 4.171 3.960 -0.005 0.000 0.291 111 G C -0.486 174.344 174.900 -0.115 0.000 1.420 111 G CA -0.158 44.883 45.100 -0.098 0.000 0.796 111 G HN -0.178 nan 8.290 nan 0.000 0.485 112 N N -1.693 116.986 118.700 -0.036 0.000 2.677 112 N HA 0.329 5.066 4.740 -0.005 0.000 0.242 112 N C 0.928 176.469 175.510 0.052 0.000 1.044 112 N CA 1.414 54.479 53.050 0.025 0.000 0.934 112 N CB 0.926 39.532 38.487 0.198 0.000 1.595 112 N HN 0.926 nan 8.380 nan 0.000 0.459 113 G N -1.396 107.450 108.800 0.077 0.000 2.933 113 G HA2 0.372 4.329 3.960 -0.005 0.000 0.203 113 G HA3 0.372 4.329 3.960 -0.005 0.000 0.203 113 G C 0.535 175.456 174.900 0.036 0.000 1.170 113 G CA 0.152 45.297 45.100 0.075 0.000 0.880 113 G HN 0.202 nan 8.290 nan 0.000 0.573 114 G N -0.182 108.637 108.800 0.030 0.000 2.432 114 G HA2 0.024 3.981 3.960 -0.005 0.000 0.219 114 G HA3 0.024 3.981 3.960 -0.005 0.000 0.219 114 G C 1.743 176.606 174.900 -0.060 0.000 1.135 114 G CA 1.550 46.643 45.100 -0.012 0.000 0.767 114 G HN 0.564 nan 8.290 nan 0.000 0.550 115 L N 1.498 122.677 121.223 -0.073 0.000 2.027 115 L HA 0.200 4.537 4.340 -0.005 0.000 0.206 115 L C 2.714 179.475 176.870 -0.182 0.000 1.074 115 L CA 2.440 57.160 54.840 -0.200 0.000 0.745 115 L CB -1.061 40.877 42.059 -0.203 0.000 0.898 115 L HN 0.121 nan 8.230 nan 0.000 0.433 116 G N -0.902 107.839 108.800 -0.100 0.000 2.421 116 G HA2 -0.334 3.623 3.960 -0.005 0.000 0.216 116 G HA3 -0.334 3.623 3.960 -0.005 0.000 0.216 116 G C 1.751 176.596 174.900 -0.093 0.000 1.171 116 G CA 0.815 45.840 45.100 -0.124 0.000 0.775 116 G HN 0.357 nan 8.290 nan 0.000 0.543 117 R N -0.049 120.423 120.500 -0.046 0.000 2.115 117 R HA 0.112 4.449 4.340 -0.005 0.000 0.230 117 R C 2.344 178.613 176.300 -0.051 0.000 1.111 117 R CA 0.840 56.944 56.100 0.007 0.000 0.976 117 R CB -0.807 29.517 30.300 0.040 0.000 0.870 117 R HN 0.370 nan 8.270 nan 0.000 0.445 118 L N -0.164 120.954 121.223 -0.175 0.000 2.056 118 L HA 0.075 4.412 4.340 -0.005 0.000 0.207 118 L C 2.042 178.584 176.870 -0.547 0.000 1.078 118 L CA 1.994 56.587 54.840 -0.412 0.000 0.749 118 L CB -0.699 41.087 42.059 -0.454 0.000 0.901 118 L HN 0.220 nan 8.230 nan 0.000 0.433 119 A N -0.517 122.110 122.820 -0.322 0.000 1.902 119 A HA -0.115 4.202 4.320 -0.005 0.000 0.217 119 A C 2.435 180.034 177.584 0.025 0.000 1.181 119 A CA 1.735 53.636 52.037 -0.227 0.000 0.623 119 A CB -1.116 17.620 19.000 -0.441 0.000 0.818 119 A HN 0.546 nan 8.150 nan 0.000 0.443 120 A N -0.967 121.910 122.820 0.095 0.000 1.873 120 A HA -0.162 4.156 4.320 -0.005 0.000 0.215 120 A C 2.321 179.985 177.584 0.133 0.000 1.186 120 A CA 1.661 53.800 52.037 0.170 0.000 0.616 120 A CB -1.298 17.784 19.000 0.137 0.000 0.823 120 A HN 0.594 nan 8.150 nan 0.000 0.442 121 C N -1.425 117.956 119.300 0.135 0.000 2.429 121 C HA -0.080 4.377 4.460 -0.005 0.000 0.277 121 C C 2.442 177.628 174.990 0.327 0.000 1.262 121 C CA 0.708 59.861 59.018 0.225 0.000 1.733 121 C CB -1.645 26.252 27.740 0.261 0.000 2.010 121 C HN 0.606 nan 8.230 nan 0.000 0.483 122 F N 1.310 121.251 119.950 -0.015 0.000 2.126 122 F HA -0.088 4.436 4.527 -0.006 0.000 0.299 122 F C 2.237 177.973 175.800 -0.106 0.000 1.096 122 F CA 1.020 58.964 58.000 -0.094 0.000 1.255 122 F CB -1.455 37.363 39.000 -0.303 0.000 0.997 122 F HN 0.205 nan 8.300 nan 0.000 0.479 123 L N -0.418 120.875 121.223 0.117 0.000 2.012 123 L HA -0.255 4.082 4.340 -0.005 0.000 0.210 123 L C 2.432 179.312 176.870 0.018 0.000 1.073 123 L CA 1.960 56.820 54.840 0.033 0.000 0.748 123 L CB -0.853 41.226 42.059 0.033 0.000 0.891 123 L HN 0.175 nan 8.230 nan 0.000 0.431 124 D N -0.108 120.319 120.400 0.045 0.000 2.104 124 D HA -0.184 4.453 4.640 -0.005 0.000 0.194 124 D C 2.101 178.416 176.300 0.026 0.000 0.994 124 D CA 1.762 55.774 54.000 0.020 0.000 0.830 124 D CB 0.291 41.109 40.800 0.029 0.000 0.959 124 D HN 0.230 nan 8.370 nan 0.000 0.452 125 S N -0.204 115.531 115.700 0.059 0.000 2.383 125 S HA -0.083 4.384 4.470 -0.005 0.000 0.227 125 S C 2.121 176.724 174.600 0.004 0.000 1.026 125 S CA 0.827 59.049 58.200 0.036 0.000 0.981 125 S CB -0.104 63.125 63.200 0.050 0.000 0.818 125 S HN 0.349 nan 8.310 nan 0.000 0.472 126 M N 0.792 120.386 119.600 -0.011 0.000 2.175 126 M HA -0.066 4.411 4.480 -0.005 0.000 0.264 126 M C 2.438 178.714 176.300 -0.039 0.000 1.063 126 M CA 1.288 56.569 55.300 -0.032 0.000 1.119 126 M CB -0.489 32.064 32.600 -0.079 0.000 1.377 126 M HN 0.386 nan 8.290 nan 0.000 0.415 127 A N -0.260 122.537 122.820 -0.039 0.000 1.930 127 A HA -0.123 4.194 4.320 -0.005 0.000 0.217 127 A C 2.178 179.741 177.584 -0.035 0.000 1.175 127 A CA 2.045 54.053 52.037 -0.047 0.000 0.627 127 A CB -0.996 17.971 19.000 -0.054 0.000 0.815 127 A HN 0.407 nan 8.150 nan 0.000 0.443 128 T N -0.320 114.227 114.554 -0.011 0.000 2.857 128 T HA -0.063 4.284 4.350 -0.005 0.000 0.266 128 T C 1.738 176.440 174.700 0.003 0.000 1.048 128 T CA 1.746 63.853 62.100 0.012 0.000 1.139 128 T CB -0.332 68.555 68.868 0.032 0.000 0.874 128 T HN 0.620 nan 8.240 nan 0.000 0.455 129 V N -0.992 118.920 119.914 -0.003 0.000 3.649 129 V HA 0.545 4.662 4.120 -0.005 0.000 0.275 129 V C 1.491 177.579 176.094 -0.010 0.000 1.281 129 V CA 0.353 62.651 62.300 -0.002 0.000 1.143 129 V CB -0.912 30.915 31.823 0.006 0.000 0.892 129 V HN 0.506 nan 8.190 nan 0.000 0.441 130 G N 0.790 109.575 108.800 -0.025 0.000 2.160 130 G HA2 -0.345 3.612 3.960 -0.005 0.000 0.251 130 G HA3 -0.345 3.612 3.960 -0.005 0.000 0.251 130 G C 0.117 175.005 174.900 -0.020 0.000 1.008 130 G CA 0.578 45.657 45.100 -0.035 0.000 0.724 130 G HN 0.976 nan 8.290 nan 0.000 0.514 131 Q N 1.155 120.945 119.800 -0.017 0.000 2.344 131 Q HA 0.560 4.897 4.340 -0.005 0.000 0.253 131 Q C 0.672 176.621 176.000 -0.085 0.000 1.050 131 Q CA 0.325 56.115 55.803 -0.022 0.000 0.912 131 Q CB 0.556 29.300 28.738 0.011 0.000 1.258 131 Q HN 0.428 nan 8.270 nan 0.000 0.443 132 S N 3.158 118.818 115.700 -0.065 0.000 2.575 132 S HA 0.471 4.938 4.470 -0.005 0.000 0.295 132 S C -0.821 173.513 174.600 -0.443 0.000 1.267 132 S CA 0.492 58.641 58.200 -0.085 0.000 1.074 132 S CB -0.427 62.843 63.200 0.117 0.000 0.829 132 S HN 0.783 nan 8.310 nan 0.000 0.497 133 A N 4.285 126.780 122.820 -0.542 0.000 2.612 133 A HA 0.691 5.008 4.320 -0.005 0.000 0.293 133 A C -0.734 176.618 177.584 -0.387 0.000 1.075 133 A CA -0.805 50.813 52.037 -0.698 0.000 0.680 133 A CB 1.654 20.423 19.000 -0.385 0.000 1.279 133 A HN 0.641 nan 8.150 nan 0.000 0.411 134 T N 0.916 115.313 114.554 -0.261 0.000 2.879 134 T HA 0.631 4.978 4.350 -0.005 0.000 0.290 134 T C 0.247 174.790 174.700 -0.261 0.000 0.993 134 T CA 0.102 62.069 62.100 -0.221 0.000 0.975 134 T CB 1.657 70.395 68.868 -0.217 0.000 0.981 134 T HN 1.310 nan 8.240 nan 0.000 0.439 135 G N 1.540 110.171 108.800 -0.282 0.000 2.395 135 G HA2 0.535 4.492 3.960 -0.005 0.000 0.283 135 G HA3 0.535 4.492 3.960 -0.005 0.000 0.283 135 G C -1.451 173.237 174.900 -0.352 0.000 1.178 135 G CA -0.215 44.789 45.100 -0.160 0.000 0.837 135 G HN 0.625 nan 8.290 nan 0.000 0.518 136 Y N 0.924 121.335 120.300 0.185 0.000 2.332 136 Y HA 0.573 5.120 4.550 -0.005 0.000 0.326 136 Y C 0.740 176.868 175.900 0.380 0.000 0.978 136 Y CA -0.251 57.961 58.100 0.186 0.000 1.205 136 Y CB 2.218 40.865 38.460 0.311 0.000 1.131 136 Y HN 0.829 nan 8.280 nan 0.000 0.462 137 G N 2.237 111.269 108.800 0.387 0.000 3.222 137 G HA2 0.765 4.722 3.960 -0.005 0.000 0.263 137 G HA3 0.765 4.722 3.960 -0.005 0.000 0.263 137 G C -1.716 173.350 174.900 0.276 0.000 1.312 137 G CA -0.972 44.417 45.100 0.481 0.000 0.934 137 G HN 0.389 nan 8.290 nan 0.000 0.577 138 L N 0.190 121.467 121.223 0.090 0.000 2.362 138 L HA 0.417 4.755 4.340 -0.005 0.000 0.271 138 L C -0.099 176.561 176.870 -0.351 0.000 1.002 138 L CA -0.655 54.096 54.840 -0.148 0.000 0.818 138 L CB 2.371 44.145 42.059 -0.476 0.000 1.298 138 L HN 0.592 nan 8.230 nan 0.000 0.420 139 N N 2.091 120.707 118.700 -0.141 0.000 3.124 139 N HA 0.154 4.891 4.740 -0.005 0.000 0.284 139 N C -1.112 174.389 175.510 -0.016 0.000 1.209 139 N CA -0.493 52.553 53.050 -0.007 0.000 1.149 139 N CB 0.177 38.648 38.487 -0.026 0.000 1.434 139 N HN 0.345 nan 8.380 nan 0.000 0.529 140 Y N 0.856 121.283 120.300 0.212 0.000 2.526 140 Y HA -0.063 4.484 4.550 -0.005 0.000 0.330 140 Y C 1.783 177.820 175.900 0.229 0.000 1.156 140 Y CA -0.025 58.175 58.100 0.167 0.000 1.419 140 Y CB 0.646 39.184 38.460 0.129 0.000 1.250 140 Y HN 0.437 nan 8.280 nan 0.000 0.540 141 Q N 1.669 121.551 119.800 0.137 0.000 2.119 141 Q HA -0.166 4.171 4.340 -0.005 0.000 0.201 141 Q C 0.058 175.945 176.000 -0.189 0.000 0.972 141 Q CA 1.689 57.331 55.803 -0.268 0.000 0.847 141 Q CB 0.071 28.386 28.738 -0.703 0.000 0.903 141 Q HN 0.871 nan 8.270 nan 0.000 0.433 142 Y N -1.461 119.014 120.300 0.292 0.000 2.675 142 Y HA 0.335 4.882 4.550 -0.005 0.000 0.248 142 Y C 0.880 176.884 175.900 0.174 0.000 1.161 142 Y CA 0.019 58.254 58.100 0.225 0.000 1.203 142 Y CB 0.846 39.385 38.460 0.131 0.000 1.262 142 Y HN 0.262 nan 8.280 nan 0.000 0.544 143 G N 1.110 110.072 108.800 0.270 0.000 2.596 143 G HA2 -0.401 3.556 3.960 -0.005 0.000 0.295 143 G HA3 -0.401 3.556 3.960 -0.005 0.000 0.295 143 G C 0.717 175.562 174.900 -0.093 0.000 1.240 143 G CA 0.826 45.932 45.100 0.010 0.000 0.985 143 G HN 0.309 nan 8.290 nan 0.000 0.555 144 L N -0.099 121.052 121.223 -0.119 0.000 2.194 144 L HA 0.675 5.012 4.340 -0.005 0.000 0.197 144 L C 0.863 177.820 176.870 0.145 0.000 1.106 144 L CA 2.445 57.241 54.840 -0.073 0.000 0.785 144 L CB -0.038 41.901 42.059 -0.200 0.000 0.960 144 L HN 1.270 nan 8.230 nan 0.000 0.465 145 F N -2.727 117.226 119.950 0.006 0.000 2.799 145 F HA 0.379 4.903 4.527 -0.005 0.000 0.316 145 F C -0.686 175.116 175.800 0.002 0.000 1.155 145 F CA -1.450 56.556 58.000 0.010 0.000 0.916 145 F CB 0.550 39.549 39.000 -0.002 0.000 1.294 145 F HN -0.134 nan 8.300 nan 0.000 0.447 146 R N 2.229 122.857 120.500 0.214 0.000 2.254 146 R HA 0.348 4.685 4.340 -0.005 0.000 0.318 146 R C -0.883 175.562 176.300 0.242 0.000 1.031 146 R CA -0.412 55.756 56.100 0.113 0.000 0.905 146 R CB 1.216 31.561 30.300 0.075 0.000 1.050 146 R HN 0.897 nan 8.270 nan 0.000 0.456 147 Q N 3.169 123.047 119.800 0.129 0.000 2.278 147 Q HA 0.265 4.603 4.340 -0.005 0.000 0.257 147 Q C -1.226 174.659 176.000 -0.191 0.000 0.928 147 Q CA -0.442 55.419 55.803 0.097 0.000 0.932 147 Q CB 1.347 30.139 28.738 0.090 0.000 1.221 147 Q HN 0.834 nan 8.270 nan 0.000 0.434 148 S N 2.482 118.031 115.700 -0.250 0.000 2.671 148 S HA 0.730 5.197 4.470 -0.005 0.000 0.299 148 S C -1.016 173.318 174.600 -0.442 0.000 1.116 148 S CA -0.740 57.234 58.200 -0.376 0.000 0.912 148 S CB 1.000 64.108 63.200 -0.152 0.000 1.130 148 S HN 0.406 nan 8.310 nan 0.000 0.501 149 F N 0.449 120.364 119.950 -0.059 0.000 2.493 149 F HA 0.640 5.164 4.527 -0.005 0.000 0.329 149 F C -0.525 175.246 175.800 -0.049 0.000 1.126 149 F CA -1.293 56.659 58.000 -0.081 0.000 0.937 149 F CB 1.950 40.883 39.000 -0.112 0.000 1.146 149 F HN 0.393 nan 8.300 nan 0.000 0.442 150 V N 3.335 123.327 119.914 0.130 0.000 2.407 150 V HA 0.322 4.439 4.120 -0.005 0.000 0.291 150 V C -0.623 175.498 176.094 0.045 0.000 1.018 150 V CA -1.052 61.285 62.300 0.060 0.000 0.842 150 V CB 1.412 33.242 31.823 0.013 0.000 0.996 150 V HN 0.793 nan 8.190 nan 0.000 0.426 151 D N 4.139 124.574 120.400 0.058 0.000 2.800 151 D HA -0.188 4.449 4.640 -0.005 0.000 0.232 151 D C 1.300 177.684 176.300 0.140 0.000 1.137 151 D CA 1.616 55.659 54.000 0.073 0.000 0.718 151 D CB -1.199 39.617 40.800 0.027 0.000 1.084 151 D HN 1.434 nan 8.370 nan 0.000 0.432 152 G N -0.701 108.172 108.800 0.121 0.000 2.184 152 G HA2 -0.365 3.592 3.960 -0.005 0.000 0.264 152 G HA3 -0.365 3.592 3.960 -0.005 0.000 0.264 152 G C 0.264 175.210 174.900 0.077 0.000 0.975 152 G CA 0.834 46.007 45.100 0.121 0.000 0.642 152 G HN 0.481 nan 8.290 nan 0.000 0.536 153 K N 0.342 120.761 120.400 0.031 0.000 2.207 153 K HA 0.437 4.754 4.320 -0.005 0.000 0.255 153 K C 0.398 177.068 176.600 0.116 0.000 0.941 153 K CA -0.707 55.558 56.287 -0.036 0.000 0.825 153 K CB 1.647 34.012 32.500 -0.226 0.000 1.119 153 K HN 0.300 nan 8.250 nan 0.000 0.430 154 Q N 2.229 122.109 119.800 0.134 0.000 2.263 154 Q HA 0.031 4.368 4.340 -0.005 0.000 0.289 154 Q C -1.040 174.955 176.000 -0.008 0.000 1.061 154 Q CA 0.100 55.992 55.803 0.149 0.000 0.927 154 Q CB 0.491 29.282 28.738 0.088 0.000 1.154 154 Q HN 0.265 nan 8.270 nan 0.000 0.378 155 V N 4.670 124.560 119.914 -0.040 0.000 2.513 155 V HA 0.291 4.409 4.120 -0.005 0.000 0.299 155 V C -0.842 175.163 176.094 -0.149 0.000 1.035 155 V CA -0.711 61.529 62.300 -0.100 0.000 0.889 155 V CB 1.909 33.694 31.823 -0.064 0.000 0.988 155 V HN 0.844 nan 8.190 nan 0.000 0.440 156 E N 2.989 123.036 120.200 -0.255 0.000 2.133 156 E HA 0.731 5.078 4.350 -0.005 0.000 0.274 156 E C -0.284 176.255 176.600 -0.102 0.000 0.930 156 E CA -0.131 56.063 56.400 -0.344 0.000 0.770 156 E CB 1.845 31.076 29.700 -0.782 0.000 1.104 156 E HN 0.878 nan 8.360 nan 0.000 0.403 157 A N 3.907 126.749 122.820 0.037 0.000 2.386 157 A HA 0.771 5.088 4.320 -0.005 0.000 0.308 157 A C -2.578 175.039 177.584 0.055 0.000 1.128 157 A CA -2.031 50.013 52.037 0.012 0.000 0.789 157 A CB 0.831 19.833 19.000 0.003 0.000 1.325 157 A HN 0.392 nan 8.150 nan 0.000 0.437 158 P HA 0.138 nan 4.420 nan 0.000 0.267 158 P C -0.944 176.421 177.300 0.109 0.000 1.205 158 P CA 0.281 63.346 63.100 -0.058 0.000 0.765 158 P CB 0.454 31.860 31.700 -0.491 0.000 0.828 159 D N 2.235 122.773 120.400 0.231 0.000 2.741 159 D HA 0.022 4.659 4.640 -0.005 0.000 0.233 159 D C -0.452 176.063 176.300 0.358 0.000 1.160 159 D CA -0.230 53.898 54.000 0.214 0.000 1.003 159 D CB -0.735 40.139 40.800 0.122 0.000 1.064 159 D HN 0.147 nan 8.370 nan 0.000 0.503 160 D N 1.970 122.564 120.400 0.323 0.000 2.382 160 D HA -0.096 4.541 4.640 -0.005 0.000 0.259 160 D C 0.690 177.010 176.300 0.032 0.000 1.224 160 D CA -0.245 53.888 54.000 0.221 0.000 0.894 160 D CB 0.269 41.156 40.800 0.145 0.000 1.127 160 D HN 0.466 nan 8.370 nan 0.000 0.487 161 W N 4.530 125.738 121.300 -0.155 0.000 2.818 161 W HA 0.187 4.845 4.660 -0.004 0.000 0.403 161 W C -0.474 176.031 176.519 -0.025 0.000 0.991 161 W CA -0.478 56.786 57.345 -0.136 0.000 1.925 161 W CB -1.123 28.309 29.460 -0.047 0.000 1.166 161 W HN 0.413 nan 8.180 nan 0.000 0.605 162 H N 1.057 120.023 119.070 -0.174 0.000 2.748 162 H HA -0.217 4.337 4.556 -0.005 0.000 0.322 162 H C 1.783 176.854 175.328 -0.428 0.000 1.208 162 H CA 1.315 57.251 56.048 -0.188 0.000 1.151 162 H CB -1.807 27.990 29.762 0.058 0.000 1.505 162 H HN 0.405 nan 8.280 nan 0.000 0.429 163 R N 0.987 120.919 120.500 -0.946 0.000 2.094 163 R HA -0.172 4.166 4.340 -0.005 0.000 0.239 163 R C 2.097 178.114 176.300 -0.473 0.000 1.137 163 R CA 2.341 57.686 56.100 -1.258 0.000 0.943 163 R CB -0.072 29.486 30.300 -1.237 0.000 0.850 163 R HN 0.422 nan 8.270 nan 0.000 0.433 164 S N -0.194 115.255 115.700 -0.419 0.000 2.474 164 S HA -0.015 4.452 4.470 -0.005 0.000 0.235 164 S C 1.172 175.748 174.600 -0.040 0.000 0.997 164 S CA 0.884 58.877 58.200 -0.345 0.000 0.949 164 S CB -0.036 62.992 63.200 -0.286 0.000 0.766 164 S HN 0.394 nan 8.310 nan 0.000 0.517 165 N N 0.050 118.784 118.700 0.057 0.000 2.204 165 N HA 0.176 4.913 4.740 -0.005 0.000 0.219 165 N C -0.882 174.778 175.510 0.249 0.000 1.151 165 N CA -0.193 52.945 53.050 0.146 0.000 0.867 165 N CB 0.198 38.737 38.487 0.088 0.000 1.043 165 N HN 0.475 nan 8.380 nan 0.000 0.516 166 Y N 3.972 124.423 120.300 0.251 0.000 2.569 166 Y HA 0.114 4.661 4.550 -0.005 0.000 0.332 166 Y C -1.242 174.804 175.900 0.244 0.000 1.120 166 Y CA -1.360 56.936 58.100 0.326 0.000 1.416 166 Y CB 1.017 39.704 38.460 0.377 0.000 1.210 166 Y HN 0.075 nan 8.280 nan 0.000 0.528 167 P HA -0.107 nan 4.420 nan 0.000 0.233 167 P C 0.348 177.352 177.300 -0.494 0.000 1.167 167 P CA 1.232 64.043 63.100 -0.482 0.000 0.770 167 P CB 0.017 31.232 31.700 -0.808 0.000 0.837 168 W N -1.519 119.612 121.300 -0.283 0.000 3.290 168 W HA 0.223 4.880 4.660 -0.004 0.000 0.287 168 W C 0.441 177.019 176.519 0.098 0.000 1.288 168 W CA -0.608 56.694 57.345 -0.073 0.000 1.725 168 W CB -0.411 29.028 29.460 -0.035 0.000 1.103 168 W HN -0.261 nan 8.180 nan 0.000 0.670 169 F N 1.933 122.129 119.950 0.410 0.000 2.484 169 F HA 0.234 4.758 4.527 -0.005 0.000 0.360 169 F C 1.040 176.973 175.800 0.221 0.000 1.101 169 F CA -0.442 57.804 58.000 0.409 0.000 1.251 169 F CB 0.413 39.776 39.000 0.605 0.000 1.132 169 F HN -0.303 nan 8.300 nan 0.000 0.570 170 R N 1.787 122.524 120.500 0.395 0.000 2.589 170 R HA 0.383 4.720 4.340 -0.005 0.000 0.293 170 R C -1.380 174.874 176.300 -0.078 0.000 0.963 170 R CA -1.028 55.142 56.100 0.116 0.000 0.905 170 R CB 1.788 32.117 30.300 0.049 0.000 1.144 170 R HN 0.544 nan 8.270 nan 0.000 0.459 171 H N 1.665 120.463 119.070 -0.453 0.000 2.970 171 H HA 0.217 4.770 4.556 -0.005 0.000 0.315 171 H C -1.290 173.765 175.328 -0.456 0.000 0.992 171 H CA -0.956 54.612 56.048 -0.799 0.000 1.363 171 H CB 0.688 29.508 29.762 -1.569 0.000 1.532 171 H HN 0.406 nan 8.280 nan 0.000 0.514 172 N N 3.596 121.946 118.700 -0.583 0.000 2.462 172 N HA 0.031 4.768 4.740 -0.005 0.000 0.242 172 N C 0.837 175.978 175.510 -0.614 0.000 1.010 172 N CA -0.176 52.568 53.050 -0.510 0.000 0.939 172 N CB 0.694 39.030 38.487 -0.252 0.000 1.127 172 N HN 0.888 nan 8.380 nan 0.000 0.509 173 E N 2.626 122.382 120.200 -0.740 0.000 2.209 173 E HA -0.200 4.147 4.350 -0.005 0.000 0.196 173 E C 1.227 177.737 176.600 -0.151 0.000 0.993 173 E CA 1.381 57.536 56.400 -0.408 0.000 0.819 173 E CB -0.135 29.419 29.700 -0.242 0.000 0.745 173 E HN 0.511 nan 8.360 nan 0.000 0.477 174 A N 1.218 123.950 122.820 -0.147 0.000 2.172 174 A HA 0.024 4.341 4.320 -0.005 0.000 0.216 174 A C 1.987 179.561 177.584 -0.017 0.000 1.154 174 A CA 0.589 52.585 52.037 -0.069 0.000 0.701 174 A CB -0.393 18.565 19.000 -0.070 0.000 0.789 174 A HN 0.304 nan 8.150 nan 0.000 0.465 175 L N -0.154 121.069 121.223 0.000 0.000 2.611 175 L HA 0.082 4.419 4.340 -0.005 0.000 0.229 175 L C -0.358 176.644 176.870 0.219 0.000 1.137 175 L CA -0.455 54.449 54.840 0.107 0.000 0.901 175 L CB -0.415 41.704 42.059 0.100 0.000 1.098 175 L HN 0.142 nan 8.230 nan 0.000 0.456 176 D N 0.500 120.993 120.400 0.156 0.000 2.423 176 D HA 0.177 4.814 4.640 -0.005 0.000 0.238 176 D C -0.209 176.144 176.300 0.088 0.000 1.142 176 D CA 0.556 54.664 54.000 0.180 0.000 0.884 176 D CB 1.713 42.581 40.800 0.114 0.000 1.199 176 D HN -0.255 nan 8.370 nan 0.000 0.438 177 V N 2.997 122.929 119.914 0.030 0.000 2.638 177 V HA 0.188 4.305 4.120 -0.005 0.000 0.306 177 V C -0.238 175.805 176.094 -0.084 0.000 1.052 177 V CA -0.945 61.297 62.300 -0.096 0.000 0.885 177 V CB 1.991 33.626 31.823 -0.314 0.000 0.999 177 V HN 0.334 nan 8.190 nan 0.000 0.424 178 Q N 2.928 122.679 119.800 -0.082 0.000 2.279 178 Q HA 0.540 4.877 4.340 -0.005 0.000 0.256 178 Q C -0.889 175.067 176.000 -0.073 0.000 0.937 178 Q CA -0.262 55.494 55.803 -0.077 0.000 0.933 178 Q CB 2.221 30.907 28.738 -0.086 0.000 1.189 178 Q HN 0.533 nan 8.270 nan 0.000 0.417 179 V N 1.911 121.806 119.914 -0.032 0.000 2.443 179 V HA 0.476 4.593 4.120 -0.005 0.000 0.293 179 V C 0.406 176.560 176.094 0.099 0.000 1.021 179 V CA -0.843 61.478 62.300 0.036 0.000 0.848 179 V CB 1.735 33.604 31.823 0.076 0.000 0.998 179 V HN 0.843 nan 8.190 nan 0.000 0.424 180 G N 3.789 112.641 108.800 0.086 0.000 2.476 180 G HA2 0.702 4.659 3.960 -0.005 0.000 0.269 180 G HA3 0.702 4.659 3.960 -0.005 0.000 0.269 180 G C -0.994 174.084 174.900 0.297 0.000 1.195 180 G CA -0.247 44.813 45.100 -0.067 0.000 0.843 180 G HN 0.637 nan 8.290 nan 0.000 0.545 181 I N -0.194 120.546 120.570 0.284 0.000 2.827 181 I HA 0.597 4.764 4.170 -0.005 0.000 0.298 181 I C 0.680 177.024 176.117 0.378 0.000 1.235 181 I CA 0.644 62.208 61.300 0.440 0.000 1.021 181 I CB 1.930 40.176 38.000 0.412 0.000 1.259 181 I HN 1.230 nan 8.210 nan 0.000 0.427 182 G N 3.718 112.737 108.800 0.364 0.000 2.552 182 G HA2 0.233 4.190 3.960 -0.005 0.000 0.265 182 G HA3 0.233 4.190 3.960 -0.005 0.000 0.265 182 G C 0.641 175.770 174.900 0.382 0.000 1.234 182 G CA -0.021 45.245 45.100 0.277 0.000 0.944 182 G HN 2.213 nan 8.290 nan 0.000 0.568 183 G N -0.673 108.278 108.800 0.251 0.000 2.512 183 G HA2 0.304 4.261 3.960 -0.005 0.000 0.254 183 G HA3 0.304 4.261 3.960 -0.005 0.000 0.254 183 G C 0.043 175.091 174.900 0.247 0.000 1.199 183 G CA 1.780 47.020 45.100 0.234 0.000 0.941 183 G HN 2.455 nan 8.290 nan 0.000 0.569 184 K N -2.029 118.542 120.400 0.286 0.000 2.555 184 K HA 0.703 5.021 4.320 -0.005 0.000 0.279 184 K C -1.437 175.338 176.600 0.291 0.000 0.986 184 K CA -1.046 55.377 56.287 0.226 0.000 0.880 184 K CB 2.190 34.773 32.500 0.138 0.000 1.474 184 K HN 0.838 nan 8.250 nan 0.000 0.433 185 V N 2.111 122.135 119.914 0.184 0.000 2.347 185 V HA 0.221 4.338 4.120 -0.005 0.000 0.280 185 V C 0.285 176.445 176.094 0.111 0.000 1.021 185 V CA -0.571 61.827 62.300 0.164 0.000 0.847 185 V CB 1.085 32.959 31.823 0.086 0.000 0.990 185 V HN 0.982 nan 8.190 nan 0.000 0.444 186 T N 2.428 117.048 114.554 0.110 0.000 2.855 186 T HA 0.129 4.476 4.350 -0.005 0.000 0.314 186 T C 1.255 175.991 174.700 0.060 0.000 1.077 186 T CA -0.473 61.673 62.100 0.076 0.000 1.095 186 T CB 0.711 69.620 68.868 0.067 0.000 0.987 186 T HN 0.500 nan 8.240 nan 0.000 0.546 187 K N 1.249 121.677 120.400 0.047 0.000 2.113 187 K HA -0.141 4.176 4.320 -0.005 0.000 0.208 187 K C 1.582 178.203 176.600 0.036 0.000 1.047 187 K CA 1.841 58.150 56.287 0.037 0.000 0.928 187 K CB -0.598 31.920 32.500 0.030 0.000 0.716 187 K HN 0.926 nan 8.250 nan 0.000 0.446 188 D N -0.845 119.578 120.400 0.038 0.000 2.352 188 D HA 0.041 4.678 4.640 -0.005 0.000 0.236 188 D C 0.854 177.182 176.300 0.048 0.000 1.148 188 D CA 0.662 54.685 54.000 0.038 0.000 0.844 188 D CB -0.164 40.656 40.800 0.034 0.000 0.933 188 D HN 0.282 nan 8.370 nan 0.000 0.507 189 G N 0.500 109.334 108.800 0.057 0.000 2.141 189 G HA2 -0.277 3.680 3.960 -0.005 0.000 0.231 189 G HA3 -0.277 3.680 3.960 -0.005 0.000 0.231 189 G C 0.125 175.079 174.900 0.090 0.000 0.984 189 G CA -0.347 44.792 45.100 0.065 0.000 0.660 189 G HN 0.448 nan 8.290 nan 0.000 0.525 190 R N -0.825 119.736 120.500 0.102 0.000 2.297 190 R HA 0.397 4.734 4.340 -0.005 0.000 0.308 190 R C -0.234 176.192 176.300 0.210 0.000 1.029 190 R CA -0.815 55.364 56.100 0.131 0.000 0.929 190 R CB 0.854 31.208 30.300 0.090 0.000 1.046 190 R HN 0.190 nan 8.270 nan 0.000 0.461 191 W N 4.014 125.329 121.300 0.025 0.000 2.345 191 W HA 0.111 4.769 4.660 -0.004 0.000 0.308 191 W C -0.672 175.871 176.519 0.040 0.000 1.273 191 W CA -0.883 56.483 57.345 0.034 0.000 1.243 191 W CB 0.579 30.061 29.460 0.037 0.000 1.260 191 W HN 0.508 nan 8.180 nan 0.000 0.509 192 E N 8.195 128.465 120.200 0.117 0.000 2.121 192 E HA 0.212 4.560 4.350 -0.005 0.000 0.255 192 E C -2.129 174.363 176.600 -0.180 0.000 0.906 192 E CA -1.838 54.509 56.400 -0.088 0.000 0.745 192 E CB 0.954 30.666 29.700 0.020 0.000 1.155 192 E HN 0.114 nan 8.360 nan 0.000 0.424 193 P HA -0.069 nan 4.420 nan 0.000 0.269 193 P C 0.330 177.599 177.300 -0.051 0.000 1.215 193 P CA 0.110 63.010 63.100 -0.333 0.000 0.780 193 P CB 0.636 31.984 31.700 -0.586 0.000 0.898 194 E N 0.929 121.186 120.200 0.095 0.000 2.452 194 E HA 0.111 4.458 4.350 -0.005 0.000 0.197 194 E C -0.425 176.320 176.600 0.242 0.000 1.022 194 E CA 0.146 56.631 56.400 0.141 0.000 0.890 194 E CB 0.088 29.878 29.700 0.150 0.000 0.918 194 E HN 0.319 nan 8.360 nan 0.000 0.496 195 F N 0.931 120.910 119.950 0.047 0.000 2.615 195 F HA 0.372 4.897 4.527 -0.005 0.000 0.312 195 F C -1.585 174.264 175.800 0.082 0.000 1.119 195 F CA -0.538 57.519 58.000 0.094 0.000 0.979 195 F CB 2.427 41.490 39.000 0.105 0.000 1.266 195 F HN -0.271 nan 8.300 nan 0.000 0.444 196 T N 7.028 121.340 114.554 -0.405 0.000 2.809 196 T HA 0.597 4.944 4.350 -0.005 0.000 0.284 196 T C -0.457 173.927 174.700 -0.527 0.000 0.992 196 T CA -0.322 61.579 62.100 -0.333 0.000 0.957 196 T CB 1.005 69.723 68.868 -0.251 0.000 0.942 196 T HN 0.374 nan 8.240 nan 0.000 0.439 197 I N 2.694 123.123 120.570 -0.237 0.000 2.353 197 I HA 0.266 4.433 4.170 -0.005 0.000 0.293 197 I C 0.663 176.747 176.117 -0.055 0.000 0.992 197 I CA -0.437 60.787 61.300 -0.127 0.000 1.268 197 I CB 1.362 39.402 38.000 0.067 0.000 1.387 197 I HN 0.481 nan 8.210 nan 0.000 0.478 198 T N 5.169 119.675 114.554 -0.080 0.000 2.729 198 T HA 0.360 4.707 4.350 -0.005 0.000 0.296 198 T C 0.422 175.235 174.700 0.189 0.000 0.928 198 T CA -0.562 61.547 62.100 0.015 0.000 1.045 198 T CB 0.663 69.501 68.868 -0.051 0.000 0.902 198 T HN 0.792 nan 8.240 nan 0.000 0.500 199 G N 3.012 111.976 108.800 0.273 0.000 2.338 199 G HA2 0.477 4.434 3.960 -0.005 0.000 0.298 199 G HA3 0.477 4.434 3.960 -0.005 0.000 0.298 199 G C -0.593 174.572 174.900 0.443 0.000 1.140 199 G CA -0.589 44.795 45.100 0.473 0.000 0.860 199 G HN 0.627 nan 8.290 nan 0.000 0.470 200 Q N 0.190 120.310 119.800 0.533 0.000 2.312 200 Q HA 0.564 4.901 4.340 -0.005 0.000 0.263 200 Q C -0.288 175.969 176.000 0.428 0.000 0.995 200 Q CA -0.751 55.306 55.803 0.423 0.000 0.853 200 Q CB 2.511 31.390 28.738 0.234 0.000 1.300 200 Q HN 0.645 nan 8.270 nan 0.000 0.448 201 A N 2.520 125.437 122.820 0.161 0.000 2.260 201 A HA 0.383 4.701 4.320 -0.005 0.000 0.312 201 A C -1.511 175.891 177.584 -0.303 0.000 1.321 201 A CA -0.399 51.474 52.037 -0.273 0.000 0.928 201 A CB 0.032 18.754 19.000 -0.464 0.000 1.158 201 A HN 0.664 nan 8.150 nan 0.000 0.542 202 W N 2.356 123.519 121.300 -0.227 0.000 2.291 202 W HA 0.412 5.069 4.660 -0.005 0.000 0.312 202 W C -0.784 175.774 176.519 0.064 0.000 1.061 202 W CA -0.194 57.028 57.345 -0.205 0.000 1.296 202 W CB 1.236 30.308 29.460 -0.647 0.000 1.223 202 W HN 0.544 nan 8.180 nan 0.000 0.421 203 D N 3.759 124.326 120.400 0.279 0.000 2.193 203 D HA 0.429 5.066 4.640 -0.005 0.000 0.244 203 D C -0.443 176.080 176.300 0.372 0.000 1.064 203 D CA -0.388 53.741 54.000 0.215 0.000 0.845 203 D CB 1.815 42.639 40.800 0.041 0.000 1.148 203 D HN 0.158 nan 8.370 nan 0.000 0.464 204 L N 3.359 124.691 121.223 0.182 0.000 2.329 204 L HA 0.384 4.721 4.340 -0.005 0.000 0.279 204 L C -2.246 174.631 176.870 0.013 0.000 1.014 204 L CA -1.922 52.966 54.840 0.082 0.000 0.814 204 L CB 2.230 44.263 42.059 -0.044 0.000 1.257 204 L HN 0.076 nan 8.230 nan 0.000 0.424 205 P HA 0.115 nan 4.420 nan 0.000 0.282 205 P C -0.756 176.472 177.300 -0.120 0.000 1.262 205 P CA -0.261 62.822 63.100 -0.029 0.000 0.773 205 P CB 1.454 33.169 31.700 0.026 0.000 0.879 206 V N 5.145 124.994 119.914 -0.109 0.000 2.348 206 V HA 0.116 4.233 4.120 -0.005 0.000 0.270 206 V C 0.593 176.616 176.094 -0.117 0.000 1.037 206 V CA -0.586 61.640 62.300 -0.123 0.000 0.872 206 V CB 1.353 33.115 31.823 -0.102 0.000 1.002 206 V HN 0.278 nan 8.190 nan 0.000 0.464 207 V N 5.023 124.846 119.914 -0.151 0.000 2.385 207 V HA 0.511 4.628 4.120 -0.005 0.000 0.269 207 V C 1.088 177.113 176.094 -0.114 0.000 1.043 207 V CA -0.210 61.996 62.300 -0.156 0.000 0.906 207 V CB 1.154 32.842 31.823 -0.224 0.000 0.995 207 V HN 0.917 nan 8.190 nan 0.000 0.467 208 G N 2.769 111.510 108.800 -0.098 0.000 2.569 208 G HA2 0.233 4.191 3.960 -0.005 0.000 0.249 208 G HA3 0.233 4.191 3.960 -0.005 0.000 0.249 208 G C -0.757 174.113 174.900 -0.049 0.000 1.216 208 G CA -0.314 44.753 45.100 -0.056 0.000 0.845 208 G HN 0.679 nan 8.290 nan 0.000 0.568 209 Y N 2.082 122.309 120.300 -0.121 0.000 2.584 209 Y HA 0.238 4.786 4.550 -0.004 0.000 0.351 209 Y C 1.139 176.964 175.900 -0.125 0.000 1.030 209 Y CA -0.364 57.657 58.100 -0.132 0.000 1.332 209 Y CB 0.137 38.518 38.460 -0.131 0.000 1.148 209 Y HN 0.619 nan 8.280 nan 0.000 0.528 210 R N 2.648 122.824 120.500 -0.540 0.000 3.770 210 R HA -0.255 4.082 4.340 -0.005 0.000 0.305 210 R C -0.118 176.037 176.300 -0.241 0.000 1.184 210 R CA 1.102 56.913 56.100 -0.482 0.000 0.823 210 R CB -2.572 27.304 30.300 -0.708 0.000 1.285 210 R HN 0.873 nan 8.270 nan 0.000 0.499 211 N N -1.912 116.680 118.700 -0.180 0.000 2.143 211 N HA 0.138 4.875 4.740 -0.005 0.000 0.222 211 N C 1.047 176.481 175.510 -0.127 0.000 1.264 211 N CA 0.747 53.724 53.050 -0.122 0.000 0.897 211 N CB 0.512 38.946 38.487 -0.088 0.000 1.092 211 N HN 0.301 nan 8.380 nan 0.000 0.516 212 G N 0.006 108.721 108.800 -0.141 0.000 2.184 212 G HA2 -0.272 3.686 3.960 -0.005 0.000 0.264 212 G HA3 -0.272 3.686 3.960 -0.005 0.000 0.264 212 G C -0.258 174.555 174.900 -0.144 0.000 0.975 212 G CA 0.454 45.476 45.100 -0.130 0.000 0.642 212 G HN 0.313 nan 8.290 nan 0.000 0.536 213 V N 0.977 120.803 119.914 -0.146 0.000 2.555 213 V HA 0.614 4.731 4.120 -0.005 0.000 0.286 213 V C 0.669 176.702 176.094 -0.102 0.000 1.044 213 V CA 0.537 62.752 62.300 -0.142 0.000 1.026 213 V CB 1.388 33.137 31.823 -0.123 0.000 0.981 213 V HN 1.399 nan 8.190 nan 0.000 0.480 214 A N 5.938 128.720 122.820 -0.063 0.000 2.414 214 A HA 0.759 5.076 4.320 -0.005 0.000 0.286 214 A C -0.649 176.940 177.584 0.008 0.000 1.073 214 A CA -0.715 51.302 52.037 -0.034 0.000 0.727 214 A CB 1.255 20.250 19.000 -0.009 0.000 1.215 214 A HN 0.828 nan 8.150 nan 0.000 0.430 215 Q N 2.208 121.997 119.800 -0.019 0.000 2.456 215 Q HA 0.720 5.057 4.340 -0.005 0.000 0.283 215 Q C -2.984 172.985 176.000 -0.052 0.000 1.084 215 Q CA -2.396 53.403 55.803 -0.007 0.000 0.801 215 Q CB 2.685 31.420 28.738 -0.005 0.000 1.434 215 Q HN 0.413 nan 8.270 nan 0.000 0.419 216 P HA 0.155 nan 4.420 nan 0.000 0.285 216 P C -1.102 176.075 177.300 -0.205 0.000 1.259 216 P CA -0.601 62.431 63.100 -0.113 0.000 0.794 216 P CB 0.775 32.407 31.700 -0.113 0.000 0.940 217 L N 3.914 125.002 121.223 -0.225 0.000 2.261 217 L HA 0.417 4.754 4.340 -0.005 0.000 0.289 217 L C 0.211 176.898 176.870 -0.305 0.000 1.059 217 L CA -0.431 54.187 54.840 -0.369 0.000 0.816 217 L CB 0.062 41.868 42.059 -0.421 0.000 1.191 217 L HN 0.276 nan 8.230 nan 0.000 0.431 218 R N 5.429 125.681 120.500 -0.414 0.000 2.207 218 R HA 0.566 4.903 4.340 -0.005 0.000 0.334 218 R C -1.444 174.602 176.300 -0.423 0.000 1.013 218 R CA -0.369 55.477 56.100 -0.424 0.000 0.858 218 R CB 0.405 30.364 30.300 -0.569 0.000 1.094 218 R HN 0.781 nan 8.270 nan 0.000 0.457 219 L N 5.541 126.606 121.223 -0.263 0.000 2.298 219 L HA 0.425 4.762 4.340 -0.005 0.000 0.284 219 L C -0.758 176.065 176.870 -0.078 0.000 1.013 219 L CA -0.750 54.028 54.840 -0.103 0.000 0.824 219 L CB 1.168 43.303 42.059 0.127 0.000 1.221 219 L HN 0.563 nan 8.230 nan 0.000 0.418 220 W N 2.976 124.377 121.300 0.167 0.000 2.287 220 W HA 0.419 5.076 4.660 -0.005 0.000 0.313 220 W C 0.296 176.997 176.519 0.302 0.000 1.267 220 W CA -0.153 57.311 57.345 0.197 0.000 1.201 220 W CB 0.837 30.278 29.460 -0.031 0.000 1.196 220 W HN 0.425 nan 8.180 nan 0.000 0.536 221 Q N 2.494 122.643 119.800 0.583 0.000 2.331 221 Q HA 0.644 4.981 4.340 -0.005 0.000 0.267 221 Q C -0.701 175.508 176.000 0.349 0.000 1.006 221 Q CA -0.701 55.288 55.803 0.311 0.000 0.818 221 Q CB 1.572 30.321 28.738 0.019 0.000 1.276 221 Q HN 0.596 nan 8.270 nan 0.000 0.450 222 A N 2.787 125.612 122.820 0.009 0.000 2.328 222 A HA 0.633 4.950 4.320 -0.005 0.000 0.284 222 A C -0.171 177.375 177.584 -0.063 0.000 1.160 222 A CA -0.003 51.879 52.037 -0.258 0.000 0.818 222 A CB 0.539 19.073 19.000 -0.778 0.000 1.087 222 A HN 0.782 nan 8.150 nan 0.000 0.504 223 T N -0.484 114.075 114.554 0.009 0.000 2.838 223 T HA 0.621 4.968 4.350 -0.005 0.000 0.292 223 T C -0.800 173.931 174.700 0.051 0.000 1.113 223 T CA -0.653 61.472 62.100 0.043 0.000 1.008 223 T CB 1.524 70.424 68.868 0.053 0.000 1.259 223 T HN 0.717 nan 8.240 nan 0.000 0.520 224 H N -0.645 118.417 119.070 -0.013 0.000 2.572 224 H HA 0.645 5.198 4.556 -0.005 0.000 0.359 224 H C 0.882 176.164 175.328 -0.076 0.000 1.134 224 H CA -0.140 55.874 56.048 -0.057 0.000 1.187 224 H CB 2.243 32.000 29.762 -0.008 0.000 1.597 224 H HN 0.863 nan 8.280 nan 0.000 0.524 225 A N 3.627 126.215 122.820 -0.386 0.000 1.969 225 A HA -0.090 4.227 4.320 -0.005 0.000 0.218 225 A C 0.423 177.731 177.584 -0.461 0.000 1.169 225 A CA 0.968 52.777 52.037 -0.380 0.000 0.635 225 A CB -0.013 18.704 19.000 -0.471 0.000 0.810 225 A HN 0.663 nan 8.150 nan 0.000 0.445 226 H N -0.836 118.444 119.070 0.349 0.000 2.340 226 H HA 0.218 4.771 4.556 -0.005 0.000 0.233 226 H C -2.099 173.404 175.328 0.291 0.000 1.435 226 H CA -1.605 54.631 56.048 0.313 0.000 1.389 226 H CB 0.616 30.517 29.762 0.230 0.000 1.491 226 H HN 0.366 nan 8.280 nan 0.000 0.518 227 P HA -0.079 nan 4.420 nan 0.000 0.225 227 P C 0.182 177.626 177.300 0.241 0.000 1.156 227 P CA 0.609 63.839 63.100 0.218 0.000 0.787 227 P CB 0.430 32.248 31.700 0.195 0.000 0.802 228 F N 1.048 121.055 119.950 0.096 0.000 2.507 228 F HA 0.482 5.006 4.527 -0.005 0.000 0.325 228 F C -0.802 175.050 175.800 0.086 0.000 1.116 228 F CA -1.265 56.781 58.000 0.078 0.000 0.930 228 F CB 1.457 40.481 39.000 0.039 0.000 1.146 228 F HN -0.361 nan 8.300 nan 0.000 0.447 229 D N 6.461 126.528 120.400 -0.554 0.000 2.441 229 D HA 0.110 4.747 4.640 -0.005 0.000 0.231 229 D C 0.570 176.473 176.300 -0.662 0.000 1.073 229 D CA -0.276 53.486 54.000 -0.396 0.000 0.850 229 D CB 1.514 42.191 40.800 -0.204 0.000 1.062 229 D HN 0.704 nan 8.370 nan 0.000 0.524 230 L N 4.006 124.994 121.223 -0.391 0.000 2.093 230 L HA -0.070 4.267 4.340 -0.005 0.000 0.208 230 L C 1.881 178.741 176.870 -0.016 0.000 1.085 230 L CA 1.811 56.561 54.840 -0.149 0.000 0.755 230 L CB -0.543 41.590 42.059 0.123 0.000 0.904 230 L HN 0.377 nan 8.230 nan 0.000 0.435 231 T N -0.286 114.242 114.554 -0.044 0.000 2.674 231 T HA -0.201 4.146 4.350 -0.005 0.000 0.265 231 T C 1.867 176.555 174.700 -0.020 0.000 1.039 231 T CA 1.857 63.951 62.100 -0.011 0.000 1.150 231 T CB -0.138 68.717 68.868 -0.022 0.000 0.864 231 T HN 0.349 nan 8.240 nan 0.000 0.427 232 K N 0.180 120.541 120.400 -0.064 0.000 2.063 232 K HA -0.077 4.240 4.320 -0.005 0.000 0.208 232 K C 2.010 178.584 176.600 -0.043 0.000 1.048 232 K CA 1.325 57.569 56.287 -0.072 0.000 0.928 232 K CB -0.390 32.055 32.500 -0.091 0.000 0.713 232 K HN 0.248 nan 8.250 nan 0.000 0.442 233 F N 2.490 122.360 119.950 -0.132 0.000 2.069 233 F HA -0.214 4.311 4.527 -0.005 0.000 0.298 233 F C 1.866 177.742 175.800 0.127 0.000 1.113 233 F CA 1.504 59.550 58.000 0.076 0.000 1.214 233 F CB -0.119 38.990 39.000 0.182 0.000 0.978 233 F HN 0.026 nan 8.300 nan 0.000 0.474 234 N N 0.209 119.079 118.700 0.284 0.000 2.512 234 N HA -0.108 4.629 4.740 -0.005 0.000 0.183 234 N C 0.636 176.173 175.510 0.046 0.000 1.073 234 N CA 0.916 54.094 53.050 0.214 0.000 0.911 234 N CB -0.391 38.215 38.487 0.199 0.000 0.964 234 N HN 0.342 nan 8.380 nan 0.000 0.447 235 D N -0.855 119.523 120.400 -0.038 0.000 2.328 235 D HA 0.185 4.822 4.640 -0.005 0.000 0.221 235 D C 1.179 177.331 176.300 -0.246 0.000 1.072 235 D CA 0.185 54.121 54.000 -0.108 0.000 0.850 235 D CB 0.057 40.801 40.800 -0.093 0.000 0.922 235 D HN 0.265 nan 8.370 nan 0.000 0.516 236 G N 1.286 109.827 108.800 -0.431 0.000 2.176 236 G HA2 -0.253 3.704 3.960 -0.005 0.000 0.253 236 G HA3 -0.253 3.704 3.960 -0.005 0.000 0.253 236 G C 0.154 174.363 174.900 -1.151 0.000 0.979 236 G CA -0.034 44.524 45.100 -0.903 0.000 0.641 236 G HN 0.301 nan 8.290 nan 0.000 0.530 237 D N 0.237 120.231 120.400 -0.676 0.000 2.524 237 D HA 0.513 5.150 4.640 -0.005 0.000 0.222 237 D C 1.288 177.423 176.300 -0.276 0.000 1.142 237 D CA -0.880 52.844 54.000 -0.459 0.000 0.973 237 D CB -0.401 40.261 40.800 -0.230 0.000 1.025 237 D HN 0.063 nan 8.370 nan 0.000 0.519 238 F N 1.274 121.158 119.950 -0.110 0.000 2.234 238 F HA -0.048 4.476 4.527 -0.005 0.000 0.299 238 F C 1.968 177.840 175.800 0.120 0.000 1.087 238 F CA 0.200 58.181 58.000 -0.031 0.000 1.340 238 F CB -0.453 38.485 39.000 -0.103 0.000 1.031 238 F HN 0.322 nan 8.300 nan 0.000 0.500 239 L N 0.260 121.603 121.223 0.200 0.000 2.068 239 L HA 0.018 4.355 4.340 -0.005 0.000 0.204 239 L C 2.384 179.322 176.870 0.113 0.000 1.076 239 L CA 1.533 56.468 54.840 0.158 0.000 0.753 239 L CB -0.497 41.622 42.059 0.101 0.000 0.910 239 L HN -0.095 nan 8.230 nan 0.000 0.439 240 R N -0.387 120.144 120.500 0.052 0.000 2.148 240 R HA -0.039 4.298 4.340 -0.005 0.000 0.227 240 R C 2.195 178.507 176.300 0.019 0.000 1.103 240 R CA 0.905 57.017 56.100 0.020 0.000 0.983 240 R CB -0.549 29.738 30.300 -0.022 0.000 0.874 240 R HN 0.503 nan 8.270 nan 0.000 0.451 241 A N 1.421 124.267 122.820 0.043 0.000 1.986 241 A HA -0.176 4.141 4.320 -0.005 0.000 0.220 241 A C 1.571 179.166 177.584 0.020 0.000 1.171 241 A CA 1.412 53.428 52.037 -0.036 0.000 0.640 241 A CB -0.110 18.900 19.000 0.017 0.000 0.811 241 A HN 0.158 nan 8.150 nan 0.000 0.451 242 E N -0.848 119.445 120.200 0.154 0.000 2.479 242 E HA -0.030 4.317 4.350 -0.005 0.000 0.193 242 E C 1.737 178.408 176.600 0.119 0.000 1.049 242 E CA 0.524 57.044 56.400 0.200 0.000 0.870 242 E CB 0.099 29.934 29.700 0.226 0.000 0.944 242 E HN 0.824 nan 8.360 nan 0.000 0.492 243 Q N 1.368 121.208 119.800 0.067 0.000 2.084 243 Q HA -0.220 4.117 4.340 -0.005 0.000 0.202 243 Q C 2.135 178.152 176.000 0.028 0.000 0.978 243 Q CA 1.864 57.688 55.803 0.036 0.000 0.844 243 Q CB -0.013 28.729 28.738 0.007 0.000 0.898 243 Q HN 0.240 nan 8.270 nan 0.000 0.426 244 Q N -0.925 118.886 119.800 0.019 0.000 2.030 244 Q HA -0.145 4.192 4.340 -0.005 0.000 0.204 244 Q C 1.926 177.961 176.000 0.058 0.000 0.986 244 Q CA 1.988 57.788 55.803 -0.006 0.000 0.843 244 Q CB -0.712 27.935 28.738 -0.151 0.000 0.904 244 Q HN 0.552 nan 8.270 nan 0.000 0.420 245 G N 0.487 109.340 108.800 0.088 0.000 2.418 245 G HA2 -0.237 3.720 3.960 -0.005 0.000 0.217 245 G HA3 -0.237 3.720 3.960 -0.005 0.000 0.217 245 G C 1.369 176.354 174.900 0.141 0.000 1.158 245 G CA 0.946 46.136 45.100 0.151 0.000 0.771 245 G HN 0.395 nan 8.290 nan 0.000 0.545 246 I N 0.848 121.483 120.570 0.109 0.000 2.394 246 I HA -0.119 4.049 4.170 -0.005 0.000 0.251 246 I C 2.329 178.489 176.117 0.071 0.000 1.136 246 I CA 0.497 61.849 61.300 0.086 0.000 1.425 246 I CB -0.111 37.933 38.000 0.074 0.000 1.079 246 I HN 0.046 nan 8.210 nan 0.000 0.425 247 N N 0.943 119.679 118.700 0.060 0.000 2.223 247 N HA -0.117 4.620 4.740 -0.005 0.000 0.185 247 N C 1.778 177.370 175.510 0.137 0.000 1.016 247 N CA 1.491 54.530 53.050 -0.018 0.000 0.863 247 N CB -0.184 38.144 38.487 -0.265 0.000 0.983 247 N HN 0.379 nan 8.380 nan 0.000 0.429 248 A N 1.016 124.038 122.820 0.336 0.000 1.861 248 A HA -0.000 4.317 4.320 -0.005 0.000 0.212 248 A C 2.014 179.628 177.584 0.051 0.000 1.199 248 A CA 0.865 53.068 52.037 0.277 0.000 0.613 248 A CB -0.417 18.754 19.000 0.285 0.000 0.846 248 A HN 0.228 nan 8.150 nan 0.000 0.446 249 E N 0.431 120.665 120.200 0.057 0.000 2.204 249 E HA -0.217 4.130 4.350 -0.005 0.000 0.195 249 E C 1.898 178.504 176.600 0.010 0.000 0.990 249 E CA 1.319 57.723 56.400 0.007 0.000 0.821 249 E CB -0.201 29.518 29.700 0.031 0.000 0.750 249 E HN 0.798 nan 8.360 nan 0.000 0.477 250 K N 1.162 121.582 120.400 0.034 0.000 2.211 250 K HA -0.168 4.149 4.320 -0.005 0.000 0.204 250 K C 1.847 178.474 176.600 0.045 0.000 1.047 250 K CA 1.188 57.505 56.287 0.050 0.000 0.935 250 K CB -0.282 32.243 32.500 0.042 0.000 0.728 250 K HN 0.168 nan 8.250 nan 0.000 0.452 251 L N 1.648 122.861 121.223 -0.018 0.000 2.201 251 L HA -0.064 4.273 4.340 -0.005 0.000 0.212 251 L C 1.372 178.268 176.870 0.042 0.000 1.105 251 L CA 1.462 56.286 54.840 -0.027 0.000 0.775 251 L CB -0.569 41.352 42.059 -0.230 0.000 0.913 251 L HN 0.447 nan 8.230 nan 0.000 0.440 252 T N -4.994 109.570 114.554 0.016 0.000 3.308 252 T HA 0.217 4.564 4.350 -0.005 0.000 0.270 252 T C 1.117 175.920 174.700 0.171 0.000 0.992 252 T CA -0.589 61.564 62.100 0.089 0.000 0.931 252 T CB 0.440 69.297 68.868 -0.017 0.000 1.142 252 T HN -0.002 nan 8.240 nan 0.000 0.525 253 K N 0.821 121.350 120.400 0.215 0.000 2.099 253 K HA 0.280 4.597 4.320 -0.005 0.000 0.203 253 K C 0.449 177.248 176.600 0.332 0.000 1.047 253 K CA 0.597 57.035 56.287 0.252 0.000 0.963 253 K CB 0.376 33.028 32.500 0.253 0.000 0.759 253 K HN 0.309 nan 8.250 nan 0.000 0.451 254 V N 1.994 122.074 119.914 0.277 0.000 2.760 254 V HA 0.189 4.306 4.120 -0.005 0.000 0.309 254 V C -0.924 175.085 176.094 -0.142 0.000 1.077 254 V CA -1.169 61.199 62.300 0.112 0.000 0.910 254 V CB 2.166 34.061 31.823 0.121 0.000 1.008 254 V HN 0.078 nan 8.190 nan 0.000 0.424 255 L N 5.878 126.716 121.223 -0.640 0.000 2.367 255 L HA 0.479 4.816 4.340 -0.005 0.000 0.275 255 L C -0.280 176.370 176.870 -0.367 0.000 1.129 255 L CA 0.418 54.651 54.840 -1.012 0.000 0.839 255 L CB -0.443 40.853 42.059 -1.273 0.000 1.133 255 L HN 0.704 nan 8.230 nan 0.000 0.453 256 Y N 3.640 123.856 120.300 -0.140 0.000 3.037 256 Y HA -0.181 4.367 4.550 -0.004 0.000 0.204 256 Y C -1.917 173.988 175.900 0.008 0.000 1.275 256 Y CA -0.132 57.944 58.100 -0.040 0.000 1.066 256 Y CB -2.554 35.888 38.460 -0.031 0.000 1.305 256 Y HN 0.537 nan 8.280 nan 0.000 0.499 257 P HA -0.047 nan 4.420 nan 0.000 0.266 257 P C 0.611 177.975 177.300 0.107 0.000 1.195 257 P CA -0.010 63.158 63.100 0.113 0.000 0.768 257 P CB 0.720 32.480 31.700 0.101 0.000 0.838 258 N N 2.962 121.708 118.700 0.078 0.000 2.160 258 N HA -0.147 4.591 4.740 -0.005 0.000 0.283 258 N C 0.373 175.914 175.510 0.051 0.000 1.363 258 N CA 0.581 53.658 53.050 0.046 0.000 0.848 258 N CB -0.169 38.334 38.487 0.027 0.000 1.127 258 N HN 0.399 nan 8.380 nan 0.000 0.493 259 D N 1.798 122.223 120.400 0.043 0.000 2.463 259 D HA 0.045 4.682 4.640 -0.005 0.000 0.224 259 D C 0.430 176.753 176.300 0.040 0.000 1.174 259 D CA -0.152 53.879 54.000 0.051 0.000 0.829 259 D CB -0.848 39.995 40.800 0.071 0.000 0.993 259 D HN 0.484 nan 8.370 nan 0.000 0.497 260 N N 0.064 118.782 118.700 0.030 0.000 2.289 260 N HA -0.038 4.699 4.740 -0.005 0.000 0.184 260 N C 0.747 176.308 175.510 0.085 0.000 1.016 260 N CA 0.705 53.782 53.050 0.045 0.000 0.872 260 N CB 0.253 38.770 38.487 0.050 0.000 0.973 260 N HN 0.246 nan 8.380 nan 0.000 0.433 261 A N 0.076 122.952 122.820 0.093 0.000 2.299 261 A HA 0.322 4.639 4.320 -0.005 0.000 0.332 261 A C 0.514 178.192 177.584 0.156 0.000 1.131 261 A CA -0.627 51.488 52.037 0.131 0.000 0.844 261 A CB 0.594 19.664 19.000 0.117 0.000 1.251 261 A HN 0.177 nan 8.150 nan 0.000 0.486 262 F N 0.385 120.373 119.950 0.063 0.000 2.134 262 F HA -0.115 4.409 4.527 -0.005 0.000 0.299 262 F C 1.905 177.754 175.800 0.082 0.000 1.097 262 F CA 2.374 60.418 58.000 0.074 0.000 1.264 262 F CB 0.124 39.161 39.000 0.060 0.000 1.001 262 F HN 0.628 nan 8.300 nan 0.000 0.479 263 E N 0.507 120.689 120.200 -0.029 0.000 2.153 263 E HA -0.121 4.226 4.350 -0.005 0.000 0.194 263 E C 2.496 179.019 176.600 -0.128 0.000 0.988 263 E CA 1.067 57.386 56.400 -0.135 0.000 0.811 263 E CB -1.106 28.612 29.700 0.030 0.000 0.746 263 E HN 0.566 nan 8.360 nan 0.000 0.466 264 G N 1.389 110.165 108.800 -0.039 0.000 2.408 264 G HA2 -0.252 3.705 3.960 -0.005 0.000 0.217 264 G HA3 -0.252 3.705 3.960 -0.005 0.000 0.217 264 G C 1.613 176.526 174.900 0.020 0.000 1.150 264 G CA 0.604 45.710 45.100 0.010 0.000 0.776 264 G HN 0.231 nan 8.290 nan 0.000 0.542 265 K N 0.250 120.646 120.400 -0.006 0.000 2.057 265 K HA -0.050 4.267 4.320 -0.005 0.000 0.207 265 K C 2.419 179.052 176.600 0.055 0.000 1.049 265 K CA 1.306 57.660 56.287 0.112 0.000 0.931 265 K CB -0.131 32.443 32.500 0.123 0.000 0.714 265 K HN 0.246 nan 8.250 nan 0.000 0.440 266 K N 1.136 121.384 120.400 -0.253 0.000 2.057 266 K HA -0.162 4.155 4.320 -0.005 0.000 0.207 266 K C 2.136 178.646 176.600 -0.150 0.000 1.049 266 K CA 0.876 56.986 56.287 -0.295 0.000 0.931 266 K CB -0.115 32.097 32.500 -0.481 0.000 0.714 266 K HN -0.020 nan 8.250 nan 0.000 0.440 267 L N 1.653 122.826 121.223 -0.084 0.000 2.012 267 L HA -0.177 4.161 4.340 -0.005 0.000 0.210 267 L C 2.112 179.007 176.870 0.042 0.000 1.073 267 L CA 1.703 56.538 54.840 -0.008 0.000 0.748 267 L CB -0.422 41.651 42.059 0.022 0.000 0.891 267 L HN 0.135 nan 8.230 nan 0.000 0.431 268 R N -1.075 119.481 120.500 0.093 0.000 2.091 268 R HA -0.181 4.156 4.340 -0.005 0.000 0.238 268 R C 2.184 178.535 176.300 0.084 0.000 1.136 268 R CA 1.634 57.841 56.100 0.178 0.000 0.959 268 R CB -0.763 29.740 30.300 0.337 0.000 0.856 268 R HN 0.329 nan 8.270 nan 0.000 0.437 269 L N 0.936 122.044 121.223 -0.192 0.000 2.017 269 L HA -0.139 4.198 4.340 -0.005 0.000 0.208 269 L C 2.155 178.925 176.870 -0.166 0.000 1.073 269 L CA 1.714 56.252 54.840 -0.505 0.000 0.745 269 L CB -0.339 41.061 42.059 -1.099 0.000 0.894 269 L HN 0.162 nan 8.230 nan 0.000 0.432 270 M N -1.409 118.149 119.600 -0.070 0.000 2.108 270 M HA -0.276 4.202 4.480 -0.005 0.000 0.261 270 M C 2.267 178.672 176.300 0.174 0.000 1.066 270 M CA 1.810 57.157 55.300 0.078 0.000 1.107 270 M CB -0.549 32.089 32.600 0.064 0.000 1.356 270 M HN 0.370 nan 8.290 nan 0.000 0.406 271 Q N 0.135 120.027 119.800 0.154 0.000 2.061 271 Q HA -0.243 4.095 4.340 -0.005 0.000 0.204 271 Q C 2.070 178.220 176.000 0.250 0.000 0.984 271 Q CA 1.648 57.589 55.803 0.230 0.000 0.846 271 Q CB -0.232 28.643 28.738 0.228 0.000 0.902 271 Q HN 0.635 nan 8.270 nan 0.000 0.421 272 Q N -0.728 119.184 119.800 0.187 0.000 2.079 272 Q HA -0.186 4.152 4.340 -0.005 0.000 0.200 272 Q C 1.847 177.921 176.000 0.123 0.000 0.974 272 Q CA 1.268 57.176 55.803 0.175 0.000 0.840 272 Q CB -0.180 28.670 28.738 0.185 0.000 0.898 272 Q HN 0.393 nan 8.270 nan 0.000 0.430 273 Y N 0.573 120.877 120.300 0.007 0.000 2.200 273 Y HA -0.256 4.291 4.550 -0.005 0.000 0.290 273 Y C 1.918 177.827 175.900 0.015 0.000 1.137 273 Y CA 1.174 59.248 58.100 -0.044 0.000 1.163 273 Y CB -0.480 37.914 38.460 -0.109 0.000 0.988 273 Y HN 0.109 nan 8.280 nan 0.000 0.518 274 F N 1.380 121.185 119.950 -0.241 0.000 2.065 274 F HA -0.291 4.233 4.527 -0.005 0.000 0.298 274 F C 2.640 178.244 175.800 -0.327 0.000 1.112 274 F CA 2.549 60.377 58.000 -0.287 0.000 1.212 274 F CB -1.012 37.951 39.000 -0.062 0.000 0.975 274 F HN 0.251 nan 8.300 nan 0.000 0.476 275 Q N -0.338 119.303 119.800 -0.265 0.000 2.077 275 Q HA -0.249 4.089 4.340 -0.005 0.000 0.206 275 Q C 2.345 178.113 176.000 -0.386 0.000 0.989 275 Q CA 2.609 58.251 55.803 -0.269 0.000 0.853 275 Q CB -0.610 28.185 28.738 0.094 0.000 0.907 275 Q HN 0.579 nan 8.270 nan 0.000 0.418 276 C N -0.064 119.067 119.300 -0.281 0.000 2.457 276 C HA 0.060 4.517 4.460 -0.005 0.000 0.278 276 C C 2.826 177.587 174.990 -0.381 0.000 1.309 276 C CA 0.532 59.411 59.018 -0.233 0.000 1.735 276 C CB -1.201 26.488 27.740 -0.085 0.000 1.992 276 C HN 0.704 nan 8.230 nan 0.000 0.493 277 A N -0.634 121.826 122.820 -0.601 0.000 1.898 277 A HA -0.199 4.118 4.320 -0.005 0.000 0.216 277 A C 2.140 179.351 177.584 -0.622 0.000 1.181 277 A CA 2.167 53.856 52.037 -0.581 0.000 0.620 277 A CB -1.088 17.427 19.000 -0.808 0.000 0.819 277 A HN 0.650 nan 8.150 nan 0.000 0.442 278 C N -0.732 117.967 119.300 -1.002 0.000 2.429 278 C HA -0.048 4.409 4.460 -0.005 0.000 0.277 278 C C 3.296 177.636 174.990 -1.084 0.000 1.262 278 C CA 1.340 59.471 59.018 -1.478 0.000 1.733 278 C CB -1.197 24.855 27.740 -2.814 0.000 2.010 278 C HN 0.617 nan 8.230 nan 0.000 0.483 279 S N 0.640 115.861 115.700 -0.798 0.000 2.355 279 S HA -0.120 4.347 4.470 -0.005 0.000 0.222 279 S C 1.927 176.260 174.600 -0.444 0.000 1.031 279 S CA 1.372 59.210 58.200 -0.603 0.000 0.993 279 S CB -0.376 62.457 63.200 -0.610 0.000 0.859 279 S HN 0.469 nan 8.310 nan 0.000 0.453 280 V N 2.207 121.945 119.914 -0.293 0.000 2.295 280 V HA -0.214 3.903 4.120 -0.005 0.000 0.246 280 V C 2.678 178.702 176.094 -0.117 0.000 1.049 280 V CA 1.747 63.961 62.300 -0.143 0.000 1.024 280 V CB -1.227 30.566 31.823 -0.051 0.000 0.648 280 V HN 0.539 nan 8.190 nan 0.000 0.447 281 A N -0.082 122.640 122.820 -0.163 0.000 1.908 281 A HA -0.316 4.001 4.320 -0.005 0.000 0.218 281 A C 2.038 179.602 177.584 -0.033 0.000 1.181 281 A CA 2.334 54.310 52.037 -0.102 0.000 0.627 281 A CB -0.698 18.209 19.000 -0.156 0.000 0.818 281 A HN 0.615 nan 8.150 nan 0.000 0.445 282 D N -0.346 120.049 120.400 -0.008 0.000 2.097 282 D HA -0.096 4.541 4.640 -0.005 0.000 0.197 282 D C 1.726 178.108 176.300 0.137 0.000 0.984 282 D CA 1.331 55.430 54.000 0.165 0.000 0.826 282 D CB -0.215 40.866 40.800 0.467 0.000 0.973 282 D HN 0.464 nan 8.370 nan 0.000 0.460 283 I N 0.129 120.744 120.570 0.075 0.000 2.208 283 I HA -0.253 3.915 4.170 -0.005 0.000 0.245 283 I C 2.281 178.420 176.117 0.037 0.000 1.097 283 I CA 0.806 62.143 61.300 0.061 0.000 1.363 283 I CB -0.179 37.822 38.000 0.001 0.000 1.051 283 I HN 0.150 nan 8.210 nan 0.000 0.413 284 L N -0.073 121.163 121.223 0.023 0.000 2.179 284 L HA -0.128 4.209 4.340 -0.005 0.000 0.208 284 L C 2.733 179.669 176.870 0.109 0.000 1.096 284 L CA 0.897 55.766 54.840 0.048 0.000 0.779 284 L CB -0.508 41.565 42.059 0.025 0.000 0.922 284 L HN 0.223 nan 8.230 nan 0.000 0.443 285 R N 0.698 121.248 120.500 0.082 0.000 2.073 285 R HA -0.210 4.128 4.340 -0.005 0.000 0.234 285 R C 2.476 178.839 176.300 0.105 0.000 1.134 285 R CA 1.607 57.764 56.100 0.095 0.000 0.952 285 R CB -0.169 30.172 30.300 0.069 0.000 0.850 285 R HN 0.170 nan 8.270 nan 0.000 0.433 286 R N -0.868 119.678 120.500 0.076 0.000 2.096 286 R HA -0.209 4.128 4.340 -0.005 0.000 0.235 286 R C 2.174 178.486 176.300 0.019 0.000 1.127 286 R CA 2.069 58.182 56.100 0.022 0.000 0.968 286 R CB -0.332 29.956 30.300 -0.019 0.000 0.861 286 R HN 0.395 nan 8.270 nan 0.000 0.440 287 H N -0.573 118.466 119.070 -0.053 0.000 2.333 287 H HA -0.124 4.429 4.556 -0.004 0.000 0.302 287 H C 2.106 177.388 175.328 -0.076 0.000 1.075 287 H CA 2.103 58.094 56.048 -0.094 0.000 1.348 287 H CB -0.279 29.442 29.762 -0.069 0.000 1.393 287 H HN 0.293 nan 8.280 nan 0.000 0.509 288 H N 0.139 119.185 119.070 -0.041 0.000 2.319 288 H HA -0.125 4.428 4.556 -0.005 0.000 0.299 288 H C 2.038 177.295 175.328 -0.118 0.000 1.092 288 H CA 1.529 57.524 56.048 -0.088 0.000 1.302 288 H CB -0.121 29.635 29.762 -0.009 0.000 1.373 288 H HN 0.327 nan 8.280 nan 0.000 0.497 289 L N 0.944 122.120 121.223 -0.078 0.000 2.275 289 L HA -0.061 4.276 4.340 -0.005 0.000 0.215 289 L C 2.558 179.306 176.870 -0.203 0.000 1.119 289 L CA 1.323 56.085 54.840 -0.131 0.000 0.790 289 L CB -1.270 40.771 42.059 -0.031 0.000 0.919 289 L HN 0.320 nan 8.230 nan 0.000 0.443 290 A N -1.020 121.659 122.820 -0.234 0.000 2.206 290 A HA 0.223 4.541 4.320 -0.005 0.000 0.211 290 A C 1.651 179.049 177.584 -0.310 0.000 1.158 290 A CA 0.867 52.746 52.037 -0.265 0.000 0.761 290 A CB -0.423 18.393 19.000 -0.308 0.000 0.801 290 A HN 0.550 nan 8.150 nan 0.000 0.473 291 G N -0.798 107.789 108.800 -0.356 0.000 2.137 291 G HA2 -0.247 3.710 3.960 -0.005 0.000 0.237 291 G HA3 -0.247 3.710 3.960 -0.005 0.000 0.237 291 G C 0.173 174.859 174.900 -0.358 0.000 1.002 291 G CA 0.303 45.202 45.100 -0.335 0.000 0.702 291 G HN 0.673 nan 8.290 nan 0.000 0.515 292 R N -0.214 119.973 120.500 -0.523 0.000 2.573 292 R HA 0.617 4.954 4.340 -0.005 0.000 0.272 292 R C 0.146 176.176 176.300 -0.451 0.000 1.009 292 R CA -0.776 54.949 56.100 -0.625 0.000 1.059 292 R CB 0.862 30.451 30.300 -1.186 0.000 1.112 292 R HN -0.001 nan 8.270 nan 0.000 0.517 293 K N 1.785 122.056 120.400 -0.216 0.000 2.143 293 K HA 0.095 4.413 4.320 -0.005 0.000 0.272 293 K C 0.864 177.550 176.600 0.144 0.000 1.001 293 K CA -0.512 55.776 56.287 0.002 0.000 0.915 293 K CB 1.410 33.958 32.500 0.080 0.000 1.047 293 K HN 0.299 nan 8.250 nan 0.000 0.458 294 L N 3.480 124.807 121.223 0.174 0.000 2.042 294 L HA -0.214 4.123 4.340 -0.005 0.000 0.210 294 L C 2.436 179.371 176.870 0.108 0.000 1.076 294 L CA 1.995 56.913 54.840 0.130 0.000 0.749 294 L CB -0.842 41.195 42.059 -0.037 0.000 0.893 294 L HN 0.771 nan 8.230 nan 0.000 0.432 295 H N -1.078 118.012 119.070 0.035 0.000 2.545 295 H HA -0.047 4.506 4.556 -0.005 0.000 0.282 295 H C 0.975 176.326 175.328 0.038 0.000 1.020 295 H CA 1.288 57.347 56.048 0.018 0.000 1.243 295 H CB -0.310 29.464 29.762 0.020 0.000 1.377 295 H HN 0.542 nan 8.280 nan 0.000 0.581 296 E N 0.453 120.523 120.200 -0.217 0.000 2.465 296 E HA 0.062 4.410 4.350 -0.005 0.000 0.195 296 E C 1.652 178.302 176.600 0.085 0.000 1.028 296 E CA -0.302 56.043 56.400 -0.092 0.000 0.899 296 E CB 0.302 29.955 29.700 -0.078 0.000 1.032 296 E HN 0.169 nan 8.360 nan 0.000 0.468 297 L N 1.552 122.744 121.223 -0.051 0.000 1.997 297 L HA -0.273 4.064 4.340 -0.005 0.000 0.216 297 L C 2.225 178.975 176.870 -0.201 0.000 1.074 297 L CA 2.359 56.967 54.840 -0.386 0.000 0.763 297 L CB -0.436 41.366 42.059 -0.429 0.000 0.890 297 L HN 0.144 nan 8.230 nan 0.000 0.434 298 A N -1.457 121.259 122.820 -0.174 0.000 2.121 298 A HA -0.167 4.151 4.320 -0.005 0.000 0.218 298 A C 1.833 179.312 177.584 -0.174 0.000 1.154 298 A CA 1.541 53.466 52.037 -0.186 0.000 0.679 298 A CB -0.710 18.162 19.000 -0.213 0.000 0.795 298 A HN 0.613 nan 8.150 nan 0.000 0.458 299 D N -1.978 118.322 120.400 -0.167 0.000 2.347 299 D HA -0.041 4.596 4.640 -0.005 0.000 0.215 299 D C 0.524 176.569 176.300 -0.426 0.000 0.976 299 D CA 1.077 54.886 54.000 -0.318 0.000 0.884 299 D CB -0.001 40.547 40.800 -0.419 0.000 0.915 299 D HN 0.673 nan 8.370 nan 0.000 0.526 300 Y N -0.183 120.100 120.300 -0.029 0.000 2.432 300 Y HA 0.213 4.760 4.550 -0.005 0.000 0.252 300 Y C 0.402 176.312 175.900 0.017 0.000 1.097 300 Y CA -0.144 57.971 58.100 0.025 0.000 1.250 300 Y CB 1.167 39.700 38.460 0.120 0.000 1.245 300 Y HN -0.291 nan 8.280 nan 0.000 0.522 301 E N 0.475 120.723 120.200 0.079 0.000 2.292 301 E HA 0.488 4.836 4.350 -0.005 0.000 0.272 301 E C -1.472 175.109 176.600 -0.032 0.000 0.881 301 E CA -0.606 55.813 56.400 0.033 0.000 0.754 301 E CB 3.188 32.853 29.700 -0.058 0.000 1.201 301 E HN -0.156 nan 8.360 nan 0.000 0.425 302 V N 3.733 123.643 119.914 -0.007 0.000 2.656 302 V HA 0.557 4.674 4.120 -0.005 0.000 0.307 302 V C -1.066 175.022 176.094 -0.010 0.000 1.051 302 V CA -0.667 61.645 62.300 0.020 0.000 0.893 302 V CB 1.529 33.442 31.823 0.150 0.000 0.999 302 V HN 0.601 nan 8.190 nan 0.000 0.426 303 I N 5.450 126.021 120.570 0.001 0.000 2.355 303 I HA 0.425 4.592 4.170 -0.005 0.000 0.288 303 I C -0.483 175.745 176.117 0.185 0.000 0.999 303 I CA -0.538 60.796 61.300 0.057 0.000 1.163 303 I CB 1.738 39.712 38.000 -0.042 0.000 1.316 303 I HN 0.590 nan 8.210 nan 0.000 0.454 304 Q N 6.822 126.714 119.800 0.153 0.000 2.322 304 Q HA 0.425 4.762 4.340 -0.005 0.000 0.256 304 Q C -1.129 174.912 176.000 0.069 0.000 0.960 304 Q CA -0.135 55.768 55.803 0.166 0.000 0.934 304 Q CB 0.911 29.777 28.738 0.214 0.000 1.200 304 Q HN 0.558 nan 8.270 nan 0.000 0.435 305 L N 4.257 125.574 121.223 0.157 0.000 2.278 305 L HA 0.395 4.732 4.340 -0.005 0.000 0.287 305 L C -0.132 176.837 176.870 0.165 0.000 1.072 305 L CA -0.454 54.484 54.840 0.164 0.000 0.819 305 L CB 0.519 42.702 42.059 0.208 0.000 1.176 305 L HN 0.527 nan 8.230 nan 0.000 0.435 306 N N 4.468 123.232 118.700 0.108 0.000 2.485 306 N HA 0.209 4.946 4.740 -0.005 0.000 0.243 306 N C -0.480 175.153 175.510 0.204 0.000 0.987 306 N CA -0.292 52.866 53.050 0.181 0.000 0.940 306 N CB 1.233 39.732 38.487 0.021 0.000 1.122 306 N HN 0.597 nan 8.380 nan 0.000 0.509 307 D N -0.377 120.203 120.400 0.300 0.000 4.136 307 D HA -0.191 4.447 4.640 -0.005 0.000 0.291 307 D C 1.020 177.470 176.300 0.251 0.000 2.238 307 D CA 1.447 55.581 54.000 0.223 0.000 1.141 307 D CB -0.220 40.507 40.800 -0.122 0.000 1.027 307 D HN 0.554 nan 8.370 nan 0.000 1.223 308 T N -3.455 111.144 114.554 0.075 0.000 3.113 308 T HA 0.030 4.377 4.350 -0.005 0.000 0.256 308 T C 1.493 176.298 174.700 0.174 0.000 1.131 308 T CA 1.545 63.709 62.100 0.107 0.000 1.074 308 T CB -0.401 68.522 68.868 0.091 0.000 0.944 308 T HN 0.492 nan 8.240 nan 0.000 0.516 309 H N 2.768 121.985 119.070 0.245 0.000 2.353 309 H HA -0.024 4.529 4.556 -0.004 0.000 0.298 309 H C -0.814 174.640 175.328 0.209 0.000 1.103 309 H CA 1.371 57.575 56.048 0.259 0.000 1.293 309 H CB -0.944 28.981 29.762 0.273 0.000 1.372 309 H HN 0.443 nan 8.280 nan 0.000 0.501 310 P HA 0.114 nan 4.420 nan 0.000 0.259 310 P C 0.464 177.803 177.300 0.065 0.000 1.530 310 P CA 0.364 63.567 63.100 0.171 0.000 1.022 310 P CB 0.448 32.250 31.700 0.170 0.000 1.514 311 T N 0.495 115.088 114.554 0.064 0.000 2.699 311 T HA -0.169 4.178 4.350 -0.005 0.000 0.268 311 T C 1.565 176.218 174.700 -0.079 0.000 1.036 311 T CA 1.180 63.254 62.100 -0.044 0.000 1.147 311 T CB -0.719 68.160 68.868 0.019 0.000 0.862 311 T HN 0.070 nan 8.240 nan 0.000 0.446 312 I N 1.477 122.054 120.570 0.012 0.000 2.657 312 I HA -0.115 4.052 4.170 -0.005 0.000 0.261 312 I C 2.337 178.468 176.117 0.025 0.000 1.212 312 I CA 0.390 61.705 61.300 0.026 0.000 1.453 312 I CB -0.497 37.530 38.000 0.044 0.000 1.092 312 I HN 0.192 nan 8.210 nan 0.000 0.452 313 A N 0.217 123.009 122.820 -0.047 0.000 1.978 313 A HA -0.210 4.107 4.320 -0.005 0.000 0.220 313 A C 2.282 179.770 177.584 -0.161 0.000 1.170 313 A CA 1.954 53.967 52.037 -0.040 0.000 0.636 313 A CB -0.829 18.185 19.000 0.023 0.000 0.810 313 A HN 0.504 nan 8.150 nan 0.000 0.448 314 I N 0.255 120.531 120.570 -0.490 0.000 2.133 314 I HA -0.132 4.035 4.170 -0.005 0.000 0.238 314 I C -0.325 175.753 176.117 -0.065 0.000 1.074 314 I CA 1.432 62.402 61.300 -0.549 0.000 1.342 314 I CB -0.994 36.652 38.000 -0.589 0.000 1.053 314 I HN 0.229 nan 8.210 nan 0.000 0.404 315 P HA -0.205 nan 4.420 nan 0.000 0.218 315 P C 1.290 178.695 177.300 0.175 0.000 1.149 315 P CA 1.602 64.783 63.100 0.135 0.000 0.817 315 P CB -0.006 31.805 31.700 0.185 0.000 0.785 316 E N 0.243 120.612 120.200 0.282 0.000 2.077 316 E HA -0.172 4.175 4.350 -0.005 0.000 0.193 316 E C 1.923 178.640 176.600 0.195 0.000 0.989 316 E CA 0.833 57.440 56.400 0.344 0.000 0.800 316 E CB -1.242 28.667 29.700 0.348 0.000 0.746 316 E HN 0.040 nan 8.360 nan 0.000 0.452 317 L N 0.163 121.497 121.223 0.185 0.000 2.056 317 L HA -0.023 4.314 4.340 -0.005 0.000 0.207 317 L C 2.190 179.117 176.870 0.096 0.000 1.078 317 L CA 1.556 56.491 54.840 0.159 0.000 0.749 317 L CB -0.661 41.547 42.059 0.248 0.000 0.901 317 L HN 0.285 nan 8.230 nan 0.000 0.433 318 L N -0.561 120.704 121.223 0.070 0.000 2.043 318 L HA -0.266 4.071 4.340 -0.005 0.000 0.212 318 L C 2.827 179.714 176.870 0.028 0.000 1.075 318 L CA 1.844 56.683 54.840 -0.002 0.000 0.752 318 L CB -0.598 41.439 42.059 -0.037 0.000 0.891 318 L HN 0.343 nan 8.230 nan 0.000 0.432 319 R N -0.049 120.468 120.500 0.029 0.000 2.073 319 R HA -0.146 4.191 4.340 -0.005 0.000 0.234 319 R C 2.196 178.543 176.300 0.078 0.000 1.134 319 R CA 1.646 57.750 56.100 0.006 0.000 0.952 319 R CB -0.210 30.018 30.300 -0.119 0.000 0.850 319 R HN 0.159 nan 8.270 nan 0.000 0.433 320 V N 1.505 121.487 119.914 0.114 0.000 2.343 320 V HA -0.238 3.879 4.120 -0.005 0.000 0.247 320 V C 2.379 178.600 176.094 0.211 0.000 1.051 320 V CA 1.613 64.004 62.300 0.152 0.000 1.036 320 V CB -0.354 31.566 31.823 0.161 0.000 0.654 320 V HN 0.342 nan 8.190 nan 0.000 0.451 321 L N -0.943 120.377 121.223 0.162 0.000 2.056 321 L HA -0.127 4.210 4.340 -0.005 0.000 0.207 321 L C 2.306 179.268 176.870 0.153 0.000 1.078 321 L CA 1.558 56.494 54.840 0.161 0.000 0.749 321 L CB -0.418 41.672 42.059 0.051 0.000 0.901 321 L HN 0.264 nan 8.230 nan 0.000 0.433 322 I N -0.228 120.407 120.570 0.109 0.000 2.162 322 I HA -0.240 3.927 4.170 -0.005 0.000 0.238 322 I C 2.008 178.189 176.117 0.106 0.000 1.076 322 I CA 1.307 62.675 61.300 0.115 0.000 1.353 322 I CB -0.261 37.818 38.000 0.131 0.000 1.063 322 I HN 0.192 nan 8.210 nan 0.000 0.408 323 D N 0.343 120.799 120.400 0.093 0.000 2.162 323 D HA -0.100 4.538 4.640 -0.005 0.000 0.203 323 D C 1.951 178.270 176.300 0.032 0.000 0.967 323 D CA 1.090 55.134 54.000 0.074 0.000 0.840 323 D CB -0.012 40.842 40.800 0.089 0.000 0.972 323 D HN 0.409 nan 8.370 nan 0.000 0.482 324 E N -0.877 119.322 120.200 -0.002 0.000 2.431 324 E HA 0.053 4.400 4.350 -0.005 0.000 0.200 324 E C 0.837 177.223 176.600 -0.357 0.000 0.995 324 E CA 0.277 56.580 56.400 -0.161 0.000 0.915 324 E CB 0.464 30.050 29.700 -0.190 0.000 0.930 324 E HN 0.376 nan 8.360 nan 0.000 0.496 325 H N 0.134 119.226 119.070 0.038 0.000 2.784 325 H HA 0.184 4.737 4.556 -0.005 0.000 0.273 325 H C -0.124 175.228 175.328 0.040 0.000 1.112 325 H CA 0.101 56.171 56.048 0.036 0.000 1.162 325 H CB 0.886 30.671 29.762 0.039 0.000 1.586 325 H HN 0.023 nan 8.280 nan 0.000 0.548 326 Q N 0.176 120.045 119.800 0.114 0.000 2.481 326 Q HA -0.175 4.162 4.340 -0.005 0.000 0.272 326 Q C -0.177 175.884 176.000 0.102 0.000 1.157 326 Q CA 0.557 56.415 55.803 0.092 0.000 0.935 326 Q CB -1.571 27.207 28.738 0.067 0.000 1.338 326 Q HN 0.474 nan 8.270 nan 0.000 0.494 327 M N 0.341 120.011 119.600 0.117 0.000 2.241 327 M HA 0.220 4.697 4.480 -0.005 0.000 0.335 327 M C 0.853 177.222 176.300 0.114 0.000 1.122 327 M CA 0.084 55.444 55.300 0.101 0.000 1.164 327 M CB 0.908 33.560 32.600 0.087 0.000 1.459 327 M HN 0.319 nan 8.290 nan 0.000 0.461 328 S N 1.647 117.417 115.700 0.116 0.000 2.593 328 S HA 0.008 4.475 4.470 -0.005 0.000 0.269 328 S C 0.948 175.670 174.600 0.203 0.000 1.334 328 S CA -0.791 57.505 58.200 0.160 0.000 1.015 328 S CB 0.662 63.948 63.200 0.143 0.000 0.912 328 S HN 0.953 nan 8.310 nan 0.000 0.541 329 W N 1.975 123.327 121.300 0.087 0.000 2.290 329 W HA -0.252 4.404 4.660 -0.006 0.000 0.323 329 W C 0.883 177.496 176.519 0.157 0.000 1.260 329 W CA 2.452 59.863 57.345 0.109 0.000 1.266 329 W CB -0.670 28.823 29.460 0.055 0.000 1.149 329 W HN 0.765 nan 8.180 nan 0.000 0.482 330 D N 0.017 120.605 120.400 0.314 0.000 2.178 330 D HA -0.153 4.484 4.640 -0.005 0.000 0.202 330 D C 1.576 177.973 176.300 0.162 0.000 0.974 330 D CA 1.554 55.706 54.000 0.254 0.000 0.841 330 D CB -0.634 40.304 40.800 0.232 0.000 0.953 330 D HN 0.178 nan 8.370 nan 0.000 0.478 331 D N 0.374 120.844 120.400 0.117 0.000 2.149 331 D HA -0.020 4.617 4.640 -0.005 0.000 0.201 331 D C 2.008 178.333 176.300 0.042 0.000 0.972 331 D CA 0.859 54.907 54.000 0.081 0.000 0.835 331 D CB -0.156 40.685 40.800 0.069 0.000 0.966 331 D HN 0.108 nan 8.370 nan 0.000 0.476 332 A N 0.915 123.738 122.820 0.004 0.000 1.855 332 A HA -0.158 4.159 4.320 -0.005 0.000 0.215 332 A C 2.140 179.671 177.584 -0.089 0.000 1.191 332 A CA 0.948 52.951 52.037 -0.057 0.000 0.613 332 A CB -1.221 17.720 19.000 -0.099 0.000 0.829 332 A HN 0.403 nan 8.150 nan 0.000 0.442 333 W N 0.869 121.952 121.300 -0.361 0.000 2.342 333 W HA -0.203 4.454 4.660 -0.006 0.000 0.297 333 W C 2.242 178.691 176.519 -0.116 0.000 1.213 333 W CA 1.923 59.085 57.345 -0.305 0.000 1.251 333 W CB -0.185 29.052 29.460 -0.371 0.000 1.136 333 W HN 0.440 nan 8.180 nan 0.000 0.526 334 A N 0.444 123.300 122.820 0.061 0.000 1.972 334 A HA -0.173 4.145 4.320 -0.005 0.000 0.219 334 A C 1.972 179.499 177.584 -0.094 0.000 1.169 334 A CA 1.769 53.815 52.037 0.015 0.000 0.635 334 A CB -0.820 18.223 19.000 0.071 0.000 0.810 334 A HN 0.342 nan 8.150 nan 0.000 0.446 335 I N -0.230 120.274 120.570 -0.110 0.000 2.235 335 I HA -0.173 3.994 4.170 -0.005 0.000 0.241 335 I C 2.886 178.869 176.117 -0.224 0.000 1.085 335 I CA 1.699 62.911 61.300 -0.146 0.000 1.378 335 I CB -0.553 37.380 38.000 -0.112 0.000 1.076 335 I HN 0.489 nan 8.210 nan 0.000 0.415 336 T N -1.497 112.903 114.554 -0.256 0.000 2.821 336 T HA -0.150 4.198 4.350 -0.005 0.000 0.267 336 T C 1.908 176.446 174.700 -0.270 0.000 1.046 336 T CA 1.382 63.349 62.100 -0.221 0.000 1.139 336 T CB -0.748 68.035 68.868 -0.141 0.000 0.871 336 T HN 0.408 nan 8.240 nan 0.000 0.454 337 S N 0.815 116.180 115.700 -0.557 0.000 2.515 337 S HA 0.126 4.593 4.470 -0.005 0.000 0.231 337 S C 1.611 176.118 174.600 -0.156 0.000 0.987 337 S CA -0.023 57.871 58.200 -0.511 0.000 0.936 337 S CB -0.205 62.505 63.200 -0.816 0.000 0.766 337 S HN 0.298 nan 8.310 nan 0.000 0.528 338 K N 0.666 120.970 120.400 -0.160 0.000 2.358 338 K HA 0.314 4.631 4.320 -0.005 0.000 0.200 338 K C 0.879 177.364 176.600 -0.192 0.000 1.030 338 K CA 0.320 56.495 56.287 -0.186 0.000 1.097 338 K CB 0.239 32.596 32.500 -0.238 0.000 0.862 338 K HN 0.387 nan 8.250 nan 0.000 0.534 339 T N -0.174 114.322 114.554 -0.097 0.000 3.038 339 T HA 0.241 4.588 4.350 -0.005 0.000 0.244 339 T C 0.076 174.747 174.700 -0.049 0.000 1.016 339 T CA 0.159 62.141 62.100 -0.197 0.000 1.098 339 T CB 0.114 68.669 68.868 -0.521 0.000 0.954 339 T HN -0.094 nan 8.240 nan 0.000 0.469 340 F N 1.888 121.932 119.950 0.156 0.000 2.394 340 F HA 0.701 5.225 4.527 -0.005 0.000 0.340 340 F C 0.456 176.174 175.800 -0.136 0.000 1.105 340 F CA -1.341 56.684 58.000 0.042 0.000 1.124 340 F CB 0.793 39.750 39.000 -0.071 0.000 1.145 340 F HN 0.024 nan 8.300 nan 0.000 0.505 341 A N 3.017 125.834 122.820 -0.004 0.000 2.423 341 A HA 0.726 5.043 4.320 -0.005 0.000 0.304 341 A C -2.180 175.430 177.584 0.044 0.000 1.104 341 A CA -0.642 51.224 52.037 -0.285 0.000 0.757 341 A CB 1.248 20.013 19.000 -0.391 0.000 1.313 341 A HN 0.673 nan 8.150 nan 0.000 0.423 342 Y N 0.575 120.795 120.300 -0.134 0.000 2.376 342 Y HA 0.644 5.190 4.550 -0.006 0.000 0.340 342 Y C -0.550 175.360 175.900 0.016 0.000 0.965 342 Y CA -0.479 57.594 58.100 -0.045 0.000 1.078 342 Y CB 2.071 40.466 38.460 -0.108 0.000 1.193 342 Y HN 0.546 nan 8.280 nan 0.000 0.452 343 T N 6.810 121.106 114.554 -0.430 0.000 2.770 343 T HA 0.213 4.560 4.350 -0.005 0.000 0.283 343 T C -0.698 173.523 174.700 -0.799 0.000 0.988 343 T CA -0.811 60.998 62.100 -0.484 0.000 0.957 343 T CB 0.237 68.991 68.868 -0.190 0.000 0.930 343 T HN 0.668 nan 8.240 nan 0.000 0.443 344 N N 2.421 120.715 118.700 -0.676 0.000 2.408 344 N HA 0.059 4.796 4.740 -0.005 0.000 0.257 344 N C 0.190 175.677 175.510 -0.039 0.000 1.064 344 N CA -0.221 52.695 53.050 -0.224 0.000 0.952 344 N CB 0.510 39.053 38.487 0.093 0.000 1.093 344 N HN 0.671 nan 8.380 nan 0.000 0.490 345 H N 1.829 120.919 119.070 0.035 0.000 2.549 345 H HA 0.137 4.690 4.556 -0.004 0.000 0.279 345 H C -0.140 175.107 175.328 -0.135 0.000 1.018 345 H CA 0.106 56.133 56.048 -0.035 0.000 1.175 345 H CB 0.953 30.709 29.762 -0.010 0.000 1.485 345 H HN 0.516 nan 8.280 nan 0.000 0.543 346 T N 0.029 114.597 114.554 0.024 0.000 3.168 346 T HA 0.120 4.467 4.350 -0.005 0.000 0.373 346 T C 0.200 174.920 174.700 0.032 0.000 1.681 346 T CA -0.630 61.430 62.100 -0.066 0.000 1.135 346 T CB 0.484 69.319 68.868 -0.055 0.000 1.477 346 T HN 0.084 nan 8.240 nan 0.000 0.480 347 L N 2.816 124.031 121.223 -0.013 0.000 2.554 347 L HA 0.254 4.591 4.340 -0.005 0.000 0.226 347 L C 1.235 178.070 176.870 -0.059 0.000 1.137 347 L CA 0.123 54.951 54.840 -0.020 0.000 0.863 347 L CB -0.163 41.874 42.059 -0.037 0.000 0.985 347 L HN 0.515 nan 8.230 nan 0.000 0.451 348 M N 1.470 121.015 119.600 -0.092 0.000 2.251 348 M HA 0.020 4.497 4.480 -0.005 0.000 0.343 348 M C -0.994 175.308 176.300 0.003 0.000 1.245 348 M CA -1.611 53.665 55.300 -0.039 0.000 1.061 348 M CB 0.094 32.690 32.600 -0.008 0.000 1.723 348 M HN -0.177 nan 8.290 nan 0.000 0.449 349 P HA -0.197 nan 4.420 nan 0.000 0.218 349 P C 0.895 178.182 177.300 -0.021 0.000 1.149 349 P CA 1.441 64.538 63.100 -0.005 0.000 0.817 349 P CB -0.220 31.475 31.700 -0.008 0.000 0.785 350 E N 0.971 121.162 120.200 -0.015 0.000 2.219 350 E HA -0.172 4.175 4.350 -0.005 0.000 0.198 350 E C 1.665 178.255 176.600 -0.016 0.000 0.998 350 E CA 1.722 58.099 56.400 -0.038 0.000 0.818 350 E CB -1.101 28.570 29.700 -0.047 0.000 0.741 350 E HN 0.251 nan 8.360 nan 0.000 0.477 351 A N 0.837 123.657 122.820 0.000 0.000 2.275 351 A HA 0.270 4.587 4.320 -0.005 0.000 0.212 351 A C 1.287 178.879 177.584 0.014 0.000 1.201 351 A CA -0.245 51.786 52.037 -0.010 0.000 0.843 351 A CB 0.047 19.049 19.000 0.004 0.000 0.873 351 A HN 0.157 nan 8.150 nan 0.000 0.492 352 L N 1.656 122.889 121.223 0.016 0.000 2.603 352 L HA 0.269 4.607 4.340 -0.005 0.000 0.242 352 L C -0.533 176.317 176.870 -0.033 0.000 1.169 352 L CA -0.328 54.538 54.840 0.043 0.000 1.029 352 L CB 0.494 42.589 42.059 0.060 0.000 1.361 352 L HN 0.268 nan 8.230 nan 0.000 0.439 353 E N 1.886 122.043 120.200 -0.072 0.000 2.383 353 E HA 0.370 4.717 4.350 -0.005 0.000 0.264 353 E C -0.338 176.048 176.600 -0.356 0.000 1.050 353 E CA -0.166 56.064 56.400 -0.282 0.000 0.896 353 E CB 0.981 30.503 29.700 -0.296 0.000 0.982 353 E HN 0.356 nan 8.360 nan 0.000 0.424 354 R N 1.988 122.140 120.500 -0.580 0.000 2.628 354 R HA 0.395 4.732 4.340 -0.005 0.000 0.288 354 R C -1.366 174.542 176.300 -0.654 0.000 0.980 354 R CA -0.715 55.079 56.100 -0.510 0.000 0.891 354 R CB 1.365 31.420 30.300 -0.408 0.000 1.188 354 R HN 0.478 nan 8.270 nan 0.000 0.450 355 W N 1.528 122.786 121.300 -0.070 0.000 2.702 355 W HA 0.292 4.950 4.660 -0.004 0.000 0.331 355 W C -0.424 176.087 176.519 -0.014 0.000 1.049 355 W CA -0.745 56.588 57.345 -0.019 0.000 1.230 355 W CB 1.401 30.861 29.460 -0.001 0.000 1.408 355 W HN 0.314 nan 8.180 nan 0.000 0.492 356 D N 1.449 122.008 120.400 0.265 0.000 2.455 356 D HA -0.025 4.612 4.640 -0.005 0.000 0.241 356 D C 1.164 177.570 176.300 0.175 0.000 1.138 356 D CA 0.194 54.299 54.000 0.175 0.000 0.877 356 D CB 1.769 42.674 40.800 0.174 0.000 1.187 356 D HN 0.137 nan 8.370 nan 0.000 0.451 357 V N 3.129 123.118 119.914 0.125 0.000 2.392 357 V HA -0.276 3.841 4.120 -0.005 0.000 0.249 357 V C 2.420 178.569 176.094 0.091 0.000 1.059 357 V CA 1.888 64.251 62.300 0.104 0.000 1.051 357 V CB -0.379 31.496 31.823 0.086 0.000 0.658 357 V HN 0.622 nan 8.190 nan 0.000 0.455 358 K N -0.194 120.263 120.400 0.095 0.000 2.032 358 K HA -0.244 4.073 4.320 -0.005 0.000 0.209 358 K C 2.124 178.787 176.600 0.105 0.000 1.048 358 K CA 1.948 58.287 56.287 0.087 0.000 0.927 358 K CB -0.290 32.259 32.500 0.083 0.000 0.712 358 K HN 0.346 nan 8.250 nan 0.000 0.441 359 L N 0.734 122.047 121.223 0.150 0.000 1.994 359 L HA -0.130 4.207 4.340 -0.005 0.000 0.208 359 L C 2.025 178.924 176.870 0.048 0.000 1.071 359 L CA 1.511 56.443 54.840 0.154 0.000 0.745 359 L CB -0.478 41.716 42.059 0.224 0.000 0.892 359 L HN 0.047 nan 8.230 nan 0.000 0.431 360 V N -0.191 119.744 119.914 0.035 0.000 2.407 360 V HA -0.279 3.838 4.120 -0.005 0.000 0.248 360 V C 2.649 178.712 176.094 -0.051 0.000 1.055 360 V CA 1.994 64.262 62.300 -0.052 0.000 1.049 360 V CB -0.762 31.052 31.823 -0.015 0.000 0.662 360 V HN 0.496 nan 8.190 nan 0.000 0.455 361 K N 0.174 120.574 120.400 -0.001 0.000 2.097 361 K HA -0.129 4.188 4.320 -0.005 0.000 0.206 361 K C 2.125 178.726 176.600 0.001 0.000 1.049 361 K CA 1.477 57.762 56.287 -0.003 0.000 0.933 361 K CB -0.421 32.093 32.500 0.024 0.000 0.717 361 K HN 0.525 nan 8.250 nan 0.000 0.442 362 G N 0.635 109.450 108.800 0.025 0.000 2.408 362 G HA2 -0.155 3.802 3.960 -0.005 0.000 0.215 362 G HA3 -0.155 3.802 3.960 -0.005 0.000 0.215 362 G C 1.286 176.209 174.900 0.038 0.000 1.156 362 G CA 0.154 45.282 45.100 0.046 0.000 0.793 362 G HN 0.133 nan 8.290 nan 0.000 0.535 363 L N -0.334 120.883 121.223 -0.009 0.000 2.127 363 L HA 0.426 4.763 4.340 -0.005 0.000 0.203 363 L C 1.127 177.947 176.870 -0.082 0.000 1.080 363 L CA 1.070 55.890 54.840 -0.033 0.000 0.768 363 L CB -0.090 41.907 42.059 -0.104 0.000 0.924 363 L HN 0.080 nan 8.230 nan 0.000 0.444 364 L N 0.705 121.815 121.223 -0.188 0.000 2.594 364 L HA 0.254 4.591 4.340 -0.005 0.000 0.245 364 L C -1.623 175.070 176.870 -0.295 0.000 1.460 364 L CA -0.839 53.790 54.840 -0.352 0.000 0.865 364 L CB 0.983 42.684 42.059 -0.596 0.000 1.131 364 L HN -0.050 nan 8.230 nan 0.000 0.506 365 P HA -0.181 nan 4.420 nan 0.000 0.217 365 P C 1.458 178.601 177.300 -0.262 0.000 1.150 365 P CA 1.061 64.049 63.100 -0.187 0.000 0.832 365 P CB 0.390 32.044 31.700 -0.076 0.000 0.787 366 R N -0.034 120.140 120.500 -0.543 0.000 2.075 366 R HA -0.139 4.199 4.340 -0.005 0.000 0.232 366 R C 2.276 178.342 176.300 -0.391 0.000 1.126 366 R CA 1.689 57.505 56.100 -0.474 0.000 0.963 366 R CB -1.642 28.240 30.300 -0.696 0.000 0.858 366 R HN 0.245 nan 8.270 nan 0.000 0.435 367 H N -1.101 117.720 119.070 -0.415 0.000 2.389 367 H HA -0.042 4.511 4.556 -0.005 0.000 0.299 367 H C 1.660 176.918 175.328 -0.118 0.000 1.081 367 H CA 1.828 57.733 56.048 -0.237 0.000 1.345 367 H CB -0.190 29.393 29.762 -0.298 0.000 1.393 367 H HN 0.117 nan 8.280 nan 0.000 0.520 368 M N 0.733 120.320 119.600 -0.022 0.000 2.159 368 M HA -0.189 4.289 4.480 -0.005 0.000 0.263 368 M C 1.830 178.142 176.300 0.020 0.000 1.063 368 M CA 1.606 56.911 55.300 0.008 0.000 1.110 368 M CB -0.152 32.444 32.600 -0.007 0.000 1.374 368 M HN 0.247 nan 8.290 nan 0.000 0.411 369 Q N -0.549 119.243 119.800 -0.014 0.000 2.050 369 Q HA -0.170 4.167 4.340 -0.005 0.000 0.202 369 Q C 2.138 178.164 176.000 0.042 0.000 0.980 369 Q CA 1.925 57.729 55.803 0.002 0.000 0.840 369 Q CB -0.318 28.408 28.738 -0.021 0.000 0.898 369 Q HN 0.553 nan 8.270 nan 0.000 0.424 370 I N 0.306 120.916 120.570 0.066 0.000 2.252 370 I HA -0.278 3.889 4.170 -0.005 0.000 0.245 370 I C 2.168 178.432 176.117 0.244 0.000 1.102 370 I CA 1.023 62.444 61.300 0.201 0.000 1.385 370 I CB -0.183 37.919 38.000 0.169 0.000 1.064 370 I HN 0.191 nan 8.210 nan 0.000 0.414 371 I N 0.717 121.389 120.570 0.171 0.000 2.179 371 I HA -0.296 3.871 4.170 -0.005 0.000 0.242 371 I C 2.231 178.449 176.117 0.168 0.000 1.088 371 I CA 1.233 62.643 61.300 0.184 0.000 1.357 371 I CB -0.501 37.586 38.000 0.146 0.000 1.051 371 I HN 0.283 nan 8.210 nan 0.000 0.409 372 N N 0.553 119.325 118.700 0.119 0.000 2.149 372 N HA -0.242 4.495 4.740 -0.005 0.000 0.188 372 N C 1.801 177.343 175.510 0.053 0.000 1.019 372 N CA 1.347 54.456 53.050 0.098 0.000 0.857 372 N CB -0.256 38.268 38.487 0.061 0.000 0.997 372 N HN 0.374 nan 8.380 nan 0.000 0.426 373 E N 0.999 121.192 120.200 -0.012 0.000 2.072 373 E HA -0.007 4.341 4.350 -0.005 0.000 0.191 373 E C 2.006 178.509 176.600 -0.162 0.000 0.985 373 E CA 0.726 57.000 56.400 -0.209 0.000 0.801 373 E CB -0.240 29.185 29.700 -0.459 0.000 0.750 373 E HN 0.322 nan 8.360 nan 0.000 0.452 374 I N 0.733 121.367 120.570 0.106 0.000 2.163 374 I HA -0.297 3.870 4.170 -0.005 0.000 0.243 374 I C 2.301 178.550 176.117 0.221 0.000 1.085 374 I CA 1.477 62.901 61.300 0.206 0.000 1.347 374 I CB -0.412 37.793 38.000 0.342 0.000 1.044 374 I HN 0.225 nan 8.210 nan 0.000 0.408 375 N N 0.329 119.182 118.700 0.256 0.000 2.084 375 N HA -0.159 4.578 4.740 -0.005 0.000 0.190 375 N C 1.748 177.485 175.510 0.378 0.000 1.030 375 N CA 2.015 55.309 53.050 0.407 0.000 0.849 375 N CB -0.143 38.563 38.487 0.365 0.000 1.012 375 N HN 0.169 nan 8.380 nan 0.000 0.423 376 T N 0.275 114.927 114.554 0.164 0.000 2.708 376 T HA -0.070 4.277 4.350 -0.005 0.000 0.266 376 T C 1.887 176.577 174.700 -0.016 0.000 1.037 376 T CA 1.167 63.287 62.100 0.033 0.000 1.146 376 T CB -0.180 68.659 68.868 -0.049 0.000 0.865 376 T HN 0.277 nan 8.240 nan 0.000 0.435 377 R N -0.025 120.453 120.500 -0.037 0.000 2.081 377 R HA -0.015 4.322 4.340 -0.005 0.000 0.235 377 R C 2.194 178.563 176.300 0.115 0.000 1.131 377 R CA 1.262 57.335 56.100 -0.046 0.000 0.960 377 R CB -0.489 29.715 30.300 -0.161 0.000 0.856 377 R HN 0.311 nan 8.270 nan 0.000 0.436 378 F N 2.196 122.207 119.950 0.102 0.000 2.171 378 F HA -0.128 4.395 4.527 -0.007 0.000 0.300 378 F C 2.125 178.068 175.800 0.239 0.000 1.090 378 F CA 1.311 59.461 58.000 0.249 0.000 1.293 378 F CB -0.180 39.055 39.000 0.392 0.000 1.013 378 F HN -0.194 nan 8.300 nan 0.000 0.486 379 K N -0.411 119.954 120.400 -0.059 0.000 2.113 379 K HA -0.191 4.126 4.320 -0.005 0.000 0.208 379 K C 1.925 178.268 176.600 -0.429 0.000 1.047 379 K CA 1.963 57.865 56.287 -0.640 0.000 0.928 379 K CB -0.326 31.642 32.500 -0.887 0.000 0.716 379 K HN 0.276 nan 8.250 nan 0.000 0.446 380 T N 1.620 116.033 114.554 -0.235 0.000 2.665 380 T HA -0.193 4.154 4.350 -0.005 0.000 0.268 380 T C 1.607 176.231 174.700 -0.127 0.000 1.035 380 T CA 1.479 63.485 62.100 -0.157 0.000 1.151 380 T CB -0.216 68.599 68.868 -0.088 0.000 0.862 380 T HN 0.189 nan 8.240 nan 0.000 0.438 381 L N 1.153 122.317 121.223 -0.099 0.000 2.093 381 L HA 0.057 4.395 4.340 -0.005 0.000 0.208 381 L C 2.321 179.109 176.870 -0.137 0.000 1.085 381 L CA 1.323 56.126 54.840 -0.062 0.000 0.755 381 L CB -0.530 41.596 42.059 0.112 0.000 0.904 381 L HN 0.078 nan 8.230 nan 0.000 0.435 382 V N -0.320 119.449 119.914 -0.242 0.000 2.548 382 V HA -0.174 3.943 4.120 -0.005 0.000 0.249 382 V C 2.563 178.683 176.094 0.044 0.000 1.055 382 V CA 1.475 63.763 62.300 -0.020 0.000 1.065 382 V CB -0.486 31.356 31.823 0.030 0.000 0.681 382 V HN 0.533 nan 8.190 nan 0.000 0.462 383 E N 1.109 121.242 120.200 -0.111 0.000 2.072 383 E HA -0.219 4.129 4.350 -0.005 0.000 0.191 383 E C 2.248 178.807 176.600 -0.068 0.000 0.985 383 E CA 1.425 57.768 56.400 -0.096 0.000 0.801 383 E CB -0.378 29.221 29.700 -0.167 0.000 0.750 383 E HN 0.364 nan 8.360 nan 0.000 0.452 384 K N -0.429 119.914 120.400 -0.095 0.000 2.152 384 K HA -0.103 4.214 4.320 -0.005 0.000 0.206 384 K C 1.588 178.091 176.600 -0.161 0.000 1.048 384 K CA 1.780 58.003 56.287 -0.105 0.000 0.933 384 K CB -0.205 32.238 32.500 -0.095 0.000 0.721 384 K HN 0.241 nan 8.250 nan 0.000 0.447 385 T N -0.743 113.671 114.554 -0.234 0.000 2.983 385 T HA 0.024 4.371 4.350 -0.005 0.000 0.250 385 T C 0.300 174.622 174.700 -0.630 0.000 1.037 385 T CA 0.456 62.231 62.100 -0.542 0.000 1.142 385 T CB 0.139 68.478 68.868 -0.881 0.000 0.876 385 T HN 0.240 nan 8.240 nan 0.000 0.455 386 W N 2.800 124.062 121.300 -0.063 0.000 2.319 386 W HA 0.355 5.007 4.660 -0.013 0.000 0.288 386 W C -3.198 173.291 176.519 -0.049 0.000 0.959 386 W CA -2.890 54.427 57.345 -0.047 0.000 1.784 386 W CB -0.229 29.208 29.460 -0.037 0.000 1.848 386 W HN 0.042 nan 8.180 nan 0.000 0.408 387 P HA 0.002 nan 4.420 nan 0.000 0.261 387 P C 1.095 178.425 177.300 0.050 0.000 1.183 387 P CA 1.858 64.980 63.100 0.037 0.000 0.761 387 P CB 0.495 32.196 31.700 0.001 0.000 0.785 388 G N 2.673 111.487 108.800 0.023 0.000 2.189 388 G HA2 -0.269 3.688 3.960 -0.005 0.000 0.267 388 G HA3 -0.269 3.688 3.960 -0.005 0.000 0.267 388 G C 0.304 175.229 174.900 0.042 0.000 0.975 388 G CA 0.070 45.181 45.100 0.018 0.000 0.644 388 G HN 0.607 nan 8.290 nan 0.000 0.537 389 D N 0.932 121.377 120.400 0.075 0.000 2.416 389 D HA 0.315 4.953 4.640 -0.005 0.000 0.240 389 D C 1.496 177.841 176.300 0.076 0.000 1.250 389 D CA -0.105 53.935 54.000 0.066 0.000 0.967 389 D CB 0.079 40.927 40.800 0.080 0.000 1.059 389 D HN 0.550 nan 8.370 nan 0.000 0.512 390 E N 2.252 122.498 120.200 0.076 0.000 2.153 390 E HA -0.227 4.120 4.350 -0.005 0.000 0.194 390 E C 1.631 178.274 176.600 0.071 0.000 0.988 390 E CA 0.874 57.350 56.400 0.127 0.000 0.811 390 E CB 0.309 30.073 29.700 0.106 0.000 0.746 390 E HN 0.360 nan 8.360 nan 0.000 0.466 391 K N 0.613 121.006 120.400 -0.012 0.000 2.057 391 K HA -0.112 4.205 4.320 -0.005 0.000 0.206 391 K C 1.919 178.409 176.600 -0.182 0.000 1.050 391 K CA 1.038 57.270 56.287 -0.091 0.000 0.935 391 K CB -0.075 32.371 32.500 -0.091 0.000 0.715 391 K HN -0.080 nan 8.250 nan 0.000 0.439 392 V N 0.773 120.562 119.914 -0.208 0.000 2.358 392 V HA -0.212 3.905 4.120 -0.005 0.000 0.246 392 V C 2.054 177.991 176.094 -0.262 0.000 1.047 392 V CA 1.830 63.909 62.300 -0.369 0.000 1.035 392 V CB -0.687 30.755 31.823 -0.635 0.000 0.658 392 V HN 0.576 nan 8.190 nan 0.000 0.452 393 W N 1.066 122.221 121.300 -0.242 0.000 2.338 393 W HA -0.258 4.398 4.660 -0.007 0.000 0.304 393 W C 2.347 178.715 176.519 -0.252 0.000 1.212 393 W CA 1.756 59.001 57.345 -0.168 0.000 1.264 393 W CB -0.162 29.260 29.460 -0.064 0.000 1.142 393 W HN 0.306 nan 8.180 nan 0.000 0.512 394 A N 0.754 123.236 122.820 -0.564 0.000 1.978 394 A HA -0.265 4.052 4.320 -0.005 0.000 0.220 394 A C 1.979 179.038 177.584 -0.875 0.000 1.170 394 A CA 2.142 53.522 52.037 -1.095 0.000 0.636 394 A CB -0.841 17.759 19.000 -0.666 0.000 0.810 394 A HN 0.396 nan 8.150 nan 0.000 0.448 395 K N -0.642 119.413 120.400 -0.574 0.000 2.116 395 K HA 0.131 4.448 4.320 -0.005 0.000 0.203 395 K C 1.489 177.823 176.600 -0.444 0.000 1.052 395 K CA 0.918 56.929 56.287 -0.460 0.000 0.952 395 K CB -0.133 32.141 32.500 -0.377 0.000 0.729 395 K HN 0.466 nan 8.250 nan 0.000 0.446 396 L N 0.520 121.473 121.223 -0.449 0.000 2.554 396 L HA 0.262 4.599 4.340 -0.005 0.000 0.225 396 L C 0.637 177.471 176.870 -0.060 0.000 1.104 396 L CA -0.432 54.285 54.840 -0.206 0.000 0.866 396 L CB 0.151 42.184 42.059 -0.043 0.000 1.047 396 L HN 0.083 nan 8.230 nan 0.000 0.468 397 A N 0.195 122.622 122.820 -0.655 0.000 2.445 397 A HA 0.251 4.569 4.320 -0.005 0.000 0.242 397 A C 1.228 178.703 177.584 -0.182 0.000 1.075 397 A CA -0.183 51.340 52.037 -0.856 0.000 0.777 397 A CB 0.838 18.976 19.000 -1.436 0.000 1.013 397 A HN -0.021 nan 8.150 nan 0.000 0.493 398 V N 2.057 122.029 119.914 0.097 0.000 2.488 398 V HA -0.044 4.074 4.120 -0.005 0.000 0.246 398 V C 0.554 176.803 176.094 0.258 0.000 1.046 398 V CA 1.278 63.699 62.300 0.201 0.000 1.053 398 V CB -0.157 31.801 31.823 0.225 0.000 0.679 398 V HN 0.558 nan 8.190 nan 0.000 0.458 399 V N 1.235 121.299 119.914 0.251 0.000 2.444 399 V HA 0.562 4.679 4.120 -0.005 0.000 0.294 399 V C -0.673 175.591 176.094 0.282 0.000 1.022 399 V CA -0.546 61.919 62.300 0.275 0.000 0.850 399 V CB 1.496 33.456 31.823 0.228 0.000 0.992 399 V HN 0.461 nan 8.190 nan 0.000 0.426 400 H N 3.429 122.611 119.070 0.185 0.000 3.085 400 H HA 0.233 4.788 4.556 -0.003 0.000 0.356 400 H C -0.485 174.939 175.328 0.159 0.000 1.178 400 H CA -0.283 55.825 56.048 0.100 0.000 1.214 400 H CB 2.149 31.841 29.762 -0.117 0.000 1.881 400 H HN 0.723 nan 8.280 nan 0.000 0.538 401 D N 3.209 123.503 120.400 -0.177 0.000 2.708 401 D HA -0.193 4.444 4.640 -0.005 0.000 0.236 401 D C -0.068 176.266 176.300 0.056 0.000 1.146 401 D CA 1.711 55.705 54.000 -0.009 0.000 0.662 401 D CB -0.820 40.072 40.800 0.155 0.000 1.059 401 D HN 0.768 nan 8.370 nan 0.000 0.428 402 K N -1.798 118.625 120.400 0.039 0.000 3.130 402 K HA -0.275 4.042 4.320 -0.005 0.000 0.282 402 K C -0.063 176.583 176.600 0.076 0.000 1.145 402 K CA 1.160 57.482 56.287 0.057 0.000 0.831 402 K CB -1.121 31.405 32.500 0.042 0.000 1.226 402 K HN 0.577 nan 8.250 nan 0.000 0.478 403 Q N 0.196 120.050 119.800 0.090 0.000 2.397 403 Q HA 0.460 4.797 4.340 -0.005 0.000 0.275 403 Q C -0.560 175.465 176.000 0.042 0.000 1.090 403 Q CA -0.938 54.878 55.803 0.021 0.000 0.809 403 Q CB 2.865 31.529 28.738 -0.123 0.000 1.362 403 Q HN -0.021 nan 8.270 nan 0.000 0.431 404 V N 2.190 122.130 119.914 0.042 0.000 2.465 404 V HA 0.166 4.284 4.120 -0.005 0.000 0.279 404 V C -0.186 175.882 176.094 -0.044 0.000 1.045 404 V CA -0.455 61.907 62.300 0.103 0.000 0.938 404 V CB 0.825 32.759 31.823 0.185 0.000 0.986 404 V HN 0.655 nan 8.190 nan 0.000 0.467 405 H N 6.237 125.370 119.070 0.106 0.000 2.746 405 H HA 0.253 4.807 4.556 -0.003 0.000 0.269 405 H C 0.505 175.878 175.328 0.075 0.000 1.248 405 H CA -0.667 55.426 56.048 0.074 0.000 1.258 405 H CB 1.422 31.223 29.762 0.064 0.000 1.441 405 H HN 0.548 nan 8.280 nan 0.000 0.508 406 M N 1.404 121.072 119.600 0.113 0.000 2.117 406 M HA -0.104 4.374 4.480 -0.005 0.000 0.262 406 M C 2.420 178.715 176.300 -0.009 0.000 1.065 406 M CA 1.015 56.370 55.300 0.091 0.000 1.114 406 M CB -1.018 31.669 32.600 0.144 0.000 1.361 406 M HN 0.611 nan 8.290 nan 0.000 0.408 407 A N 0.733 123.573 122.820 0.034 0.000 1.940 407 A HA -0.193 4.125 4.320 -0.005 0.000 0.219 407 A C 2.022 179.544 177.584 -0.103 0.000 1.176 407 A CA 1.914 53.931 52.037 -0.033 0.000 0.631 407 A CB -0.803 18.380 19.000 0.305 0.000 0.814 407 A HN 0.481 nan 8.150 nan 0.000 0.446 408 N N -0.212 118.545 118.700 0.094 0.000 2.120 408 N HA -0.131 4.606 4.740 -0.005 0.000 0.188 408 N C 1.513 176.936 175.510 -0.145 0.000 1.024 408 N CA 1.386 54.475 53.050 0.065 0.000 0.852 408 N CB -0.578 38.059 38.487 0.250 0.000 1.003 408 N HN 0.419 nan 8.380 nan 0.000 0.424 409 L N 0.734 121.911 121.223 -0.077 0.000 2.083 409 L HA -0.090 4.247 4.340 -0.005 0.000 0.209 409 L C 1.945 178.668 176.870 -0.246 0.000 1.083 409 L CA 1.450 56.231 54.840 -0.097 0.000 0.752 409 L CB -0.881 41.173 42.059 -0.008 0.000 0.899 409 L HN 0.158 nan 8.230 nan 0.000 0.433 410 C N -1.702 117.367 119.300 -0.384 0.000 2.429 410 C HA -0.133 4.324 4.460 -0.005 0.000 0.277 410 C C 2.727 177.402 174.990 -0.525 0.000 1.262 410 C CA 0.940 59.636 59.018 -0.536 0.000 1.733 410 C CB -0.925 26.194 27.740 -1.036 0.000 2.010 410 C HN 0.489 nan 8.230 nan 0.000 0.483 411 V N 0.542 120.073 119.914 -0.638 0.000 2.307 411 V HA -0.169 3.948 4.120 -0.005 0.000 0.245 411 V C 2.394 178.101 176.094 -0.644 0.000 1.045 411 V CA 1.998 63.882 62.300 -0.693 0.000 1.024 411 V CB -0.705 30.492 31.823 -1.043 0.000 0.651 411 V HN 0.452 nan 8.190 nan 0.000 0.449 412 V N 0.823 120.395 119.914 -0.570 0.000 2.515 412 V HA -0.077 4.040 4.120 -0.005 0.000 0.250 412 V C 2.362 178.329 176.094 -0.213 0.000 1.058 412 V CA 2.027 64.067 62.300 -0.434 0.000 1.064 412 V CB -0.914 30.668 31.823 -0.402 0.000 0.675 412 V HN 0.617 nan 8.190 nan 0.000 0.461 413 G N -0.893 107.779 108.800 -0.213 0.000 2.986 413 G HA2 0.388 4.345 3.960 -0.005 0.000 0.213 413 G HA3 0.388 4.345 3.960 -0.005 0.000 0.213 413 G C 0.569 175.256 174.900 -0.355 0.000 1.156 413 G CA 0.644 45.588 45.100 -0.259 0.000 0.763 413 G HN 0.621 nan 8.290 nan 0.000 0.547 414 G N -0.531 108.085 108.800 -0.306 0.000 2.735 414 G HA2 0.471 4.428 3.960 -0.005 0.000 0.301 414 G HA3 0.471 4.428 3.960 -0.005 0.000 0.301 414 G C 0.207 174.964 174.900 -0.238 0.000 1.279 414 G CA -0.708 44.270 45.100 -0.205 0.000 1.019 414 G HN 0.241 nan 8.290 nan 0.000 0.497 415 F N -1.678 118.170 119.950 -0.170 0.000 2.721 415 F HA 0.740 5.265 4.527 -0.004 0.000 0.301 415 F C 0.475 176.203 175.800 -0.120 0.000 1.096 415 F CA -0.423 57.473 58.000 -0.173 0.000 1.308 415 F CB 0.324 39.258 39.000 -0.111 0.000 1.086 415 F HN 0.554 nan 8.300 nan 0.000 0.587 416 A N 0.539 122.936 122.820 -0.705 0.000 2.547 416 A HA 0.716 5.033 4.320 -0.005 0.000 0.297 416 A C -1.615 175.762 177.584 -0.346 0.000 1.056 416 A CA -0.661 51.120 52.037 -0.426 0.000 0.688 416 A CB 1.372 20.113 19.000 -0.432 0.000 1.282 416 A HN 0.042 nan 8.150 nan 0.000 0.400 417 V N 3.486 123.222 119.914 -0.296 0.000 2.604 417 V HA 0.654 4.771 4.120 -0.005 0.000 0.305 417 V C -0.612 175.464 176.094 -0.030 0.000 1.043 417 V CA -0.750 61.423 62.300 -0.212 0.000 0.888 417 V CB 1.877 33.434 31.823 -0.444 0.000 0.995 417 V HN 1.031 nan 8.190 nan 0.000 0.429 418 N N 2.554 121.241 118.700 -0.022 0.000 2.242 418 N HA 0.605 5.342 4.740 -0.005 0.000 0.292 418 N C -0.432 175.072 175.510 -0.009 0.000 1.125 418 N CA -0.337 52.729 53.050 0.027 0.000 0.783 418 N CB 2.799 41.272 38.487 -0.022 0.000 1.558 418 N HN 0.698 nan 8.380 nan 0.000 0.472 419 G N -0.804 108.014 108.800 0.030 0.000 2.552 419 G HA2 0.472 4.429 3.960 -0.005 0.000 0.318 419 G HA3 0.472 4.429 3.960 -0.005 0.000 0.318 419 G C 0.623 175.633 174.900 0.184 0.000 1.240 419 G CA -0.435 44.731 45.100 0.111 0.000 1.002 419 G HN 0.707 nan 8.290 nan 0.000 0.493 420 V N -3.998 116.135 119.914 0.365 0.000 3.380 420 V HA 0.711 4.828 4.120 -0.005 0.000 0.307 420 V C 0.474 176.660 176.094 0.153 0.000 1.434 420 V CA 0.419 62.821 62.300 0.169 0.000 1.075 420 V CB -0.655 31.213 31.823 0.076 0.000 0.954 420 V HN 1.460 nan 8.190 nan 0.000 0.444 421 A N -0.730 122.194 122.820 0.174 0.000 2.597 421 A HA 0.850 5.167 4.320 -0.005 0.000 0.292 421 A C 0.830 178.478 177.584 0.108 0.000 1.057 421 A CA 0.016 52.131 52.037 0.130 0.000 0.674 421 A CB 0.709 19.779 19.000 0.116 0.000 1.278 421 A HN 1.009 nan 8.150 nan 0.000 0.416 422 A N 0.451 123.315 122.820 0.073 0.000 1.884 422 A HA -0.137 4.181 4.320 -0.005 0.000 0.219 422 A C 1.999 179.602 177.584 0.032 0.000 1.197 422 A CA 2.146 54.207 52.037 0.040 0.000 0.637 422 A CB -0.975 18.043 19.000 0.029 0.000 0.827 422 A HN 1.548 nan 8.150 nan 0.000 0.450 423 L N -1.433 119.816 121.223 0.043 0.000 1.994 423 L HA -0.236 4.101 4.340 -0.005 0.000 0.208 423 L C 2.717 179.610 176.870 0.038 0.000 1.071 423 L CA 2.389 57.245 54.840 0.026 0.000 0.745 423 L CB -0.594 41.481 42.059 0.027 0.000 0.892 423 L HN 0.741 nan 8.230 nan 0.000 0.431 424 H N -0.780 118.275 119.070 -0.024 0.000 2.319 424 H HA -0.178 4.376 4.556 -0.003 0.000 0.299 424 H C 2.152 177.465 175.328 -0.025 0.000 1.092 424 H CA 1.923 57.951 56.048 -0.033 0.000 1.302 424 H CB 0.201 29.948 29.762 -0.024 0.000 1.373 424 H HN 0.385 nan 8.280 nan 0.000 0.497 425 S N -0.020 115.601 115.700 -0.131 0.000 2.399 425 S HA -0.144 4.323 4.470 -0.005 0.000 0.231 425 S C 1.706 176.220 174.600 -0.144 0.000 1.022 425 S CA 1.358 59.459 58.200 -0.165 0.000 0.983 425 S CB -0.261 62.925 63.200 -0.024 0.000 0.803 425 S HN 0.562 nan 8.310 nan 0.000 0.480 426 D N 1.396 121.728 120.400 -0.114 0.000 2.117 426 D HA -0.035 4.602 4.640 -0.005 0.000 0.198 426 D C 1.773 177.977 176.300 -0.159 0.000 0.982 426 D CA 0.878 54.803 54.000 -0.125 0.000 0.828 426 D CB -0.168 40.583 40.800 -0.082 0.000 0.967 426 D HN 0.296 nan 8.370 nan 0.000 0.464 427 L N -0.279 120.850 121.223 -0.157 0.000 2.141 427 L HA -0.097 4.240 4.340 -0.005 0.000 0.209 427 L C 2.469 179.204 176.870 -0.226 0.000 1.094 427 L CA 0.321 55.059 54.840 -0.169 0.000 0.763 427 L CB -0.299 41.687 42.059 -0.123 0.000 0.908 427 L HN 0.056 nan 8.230 nan 0.000 0.437 428 V N -0.686 119.055 119.914 -0.290 0.000 2.343 428 V HA -0.230 3.887 4.120 -0.005 0.000 0.247 428 V C 2.317 178.328 176.094 -0.139 0.000 1.051 428 V CA 1.442 63.602 62.300 -0.233 0.000 1.036 428 V CB -0.033 31.694 31.823 -0.159 0.000 0.654 428 V HN 0.207 nan 8.190 nan 0.000 0.451 429 V N -0.796 118.995 119.914 -0.206 0.000 2.649 429 V HA -0.092 4.025 4.120 -0.005 0.000 0.248 429 V C 2.247 178.156 176.094 -0.308 0.000 1.054 429 V CA 1.533 63.606 62.300 -0.377 0.000 1.073 429 V CB -0.326 31.145 31.823 -0.586 0.000 0.699 429 V HN 0.521 nan 8.190 nan 0.000 0.463 430 K N -0.710 119.551 120.400 -0.232 0.000 2.242 430 K HA 0.029 4.346 4.320 -0.005 0.000 0.200 430 K C 1.294 177.808 176.600 -0.144 0.000 1.050 430 K CA 1.029 57.213 56.287 -0.173 0.000 0.981 430 K CB 0.129 32.542 32.500 -0.145 0.000 0.795 430 K HN 0.362 nan 8.250 nan 0.000 0.477 431 D N 0.077 120.379 120.400 -0.163 0.000 2.463 431 D HA -0.009 4.629 4.640 -0.005 0.000 0.237 431 D C 1.514 177.693 176.300 -0.202 0.000 1.013 431 D CA 0.261 54.166 54.000 -0.158 0.000 0.910 431 D CB 0.246 40.958 40.800 -0.147 0.000 1.080 431 D HN -0.068 nan 8.370 nan 0.000 0.498 432 L N -0.939 120.111 121.223 -0.289 0.000 2.200 432 L HA 0.235 4.572 4.340 -0.005 0.000 0.200 432 L C 0.073 176.659 176.870 -0.474 0.000 1.072 432 L CA 1.336 55.867 54.840 -0.516 0.000 0.787 432 L CB 0.117 41.678 42.059 -0.829 0.000 0.957 432 L HN -0.157 nan 8.230 nan 0.000 0.459 433 F N 0.132 120.104 119.950 0.038 0.000 2.749 433 F HA 0.415 4.938 4.527 -0.006 0.000 0.380 433 F C -1.720 174.066 175.800 -0.025 0.000 1.365 433 F CA -2.248 55.825 58.000 0.122 0.000 1.186 433 F CB -0.399 38.872 39.000 0.450 0.000 1.080 433 F HN 0.018 nan 8.300 nan 0.000 0.513 434 P HA -0.139 nan 4.420 nan 0.000 0.217 434 P C 0.967 178.310 177.300 0.072 0.000 1.150 434 P CA 1.589 64.688 63.100 -0.002 0.000 0.832 434 P CB 0.467 32.135 31.700 -0.053 0.000 0.787 435 E N -0.929 119.267 120.200 -0.007 0.000 2.107 435 E HA -0.155 4.192 4.350 -0.005 0.000 0.191 435 E C 2.091 178.807 176.600 0.192 0.000 0.982 435 E CA 1.063 57.471 56.400 0.013 0.000 0.809 435 E CB -1.046 28.444 29.700 -0.351 0.000 0.756 435 E HN 0.276 nan 8.360 nan 0.000 0.459 436 Y N 0.286 120.738 120.300 0.254 0.000 2.224 436 Y HA -0.197 4.352 4.550 -0.001 0.000 0.289 436 Y C 2.429 178.556 175.900 0.379 0.000 1.146 436 Y CA 1.371 59.671 58.100 0.333 0.000 1.182 436 Y CB -0.712 38.090 38.460 0.570 0.000 0.983 436 Y HN 0.320 nan 8.280 nan 0.000 0.524 437 H N 0.399 119.598 119.070 0.215 0.000 2.389 437 H HA -0.138 4.413 4.556 -0.008 0.000 0.299 437 H C 1.710 177.113 175.328 0.124 0.000 1.081 437 H CA 1.589 57.618 56.048 -0.032 0.000 1.345 437 H CB 0.218 29.694 29.762 -0.477 0.000 1.393 437 H HN 0.424 nan 8.280 nan 0.000 0.520 438 Q N 0.346 120.195 119.800 0.081 0.000 2.077 438 Q HA -0.159 4.178 4.340 -0.005 0.000 0.206 438 Q C 2.758 178.732 176.000 -0.043 0.000 0.989 438 Q CA 1.529 57.351 55.803 0.033 0.000 0.853 438 Q CB -0.015 28.848 28.738 0.207 0.000 0.907 438 Q HN 0.491 nan 8.270 nan 0.000 0.418 439 L N -1.377 119.817 121.223 -0.048 0.000 2.093 439 L HA -0.105 4.232 4.340 -0.005 0.000 0.208 439 L C 0.754 177.499 176.870 -0.208 0.000 1.085 439 L CA 0.654 55.305 54.840 -0.315 0.000 0.755 439 L CB 0.032 41.606 42.059 -0.809 0.000 0.904 439 L HN 0.312 nan 8.230 nan 0.000 0.435 440 W N -0.523 120.900 121.300 0.205 0.000 1.809 440 W HA 0.297 4.956 4.660 -0.001 0.000 0.298 440 W C -1.952 174.674 176.519 0.179 0.000 0.905 440 W CA -2.021 55.438 57.345 0.191 0.000 1.872 440 W CB -0.337 29.269 29.460 0.243 0.000 2.092 440 W HN -0.049 nan 8.180 nan 0.000 0.403 441 P HA -0.188 nan 4.420 nan 0.000 0.215 441 P C 1.083 178.509 177.300 0.209 0.000 1.153 441 P CA 1.730 64.766 63.100 -0.106 0.000 0.853 441 P CB 0.403 31.956 31.700 -0.246 0.000 0.788 442 N N 0.047 118.852 118.700 0.175 0.000 2.571 442 N HA -0.085 4.652 4.740 -0.005 0.000 0.189 442 N C 1.522 177.074 175.510 0.069 0.000 1.154 442 N CA 0.621 53.744 53.050 0.121 0.000 0.907 442 N CB -0.570 37.991 38.487 0.123 0.000 0.977 442 N HN 0.448 nan 8.380 nan 0.000 0.449 443 K N -0.284 120.186 120.400 0.117 0.000 2.379 443 K HA 0.061 4.379 4.320 -0.005 0.000 0.194 443 K C -0.481 175.895 176.600 -0.372 0.000 1.031 443 K CA 0.078 56.322 56.287 -0.073 0.000 1.037 443 K CB 0.111 32.524 32.500 -0.145 0.000 0.824 443 K HN -0.145 nan 8.250 nan 0.000 0.516 444 F N 2.097 121.933 119.950 -0.191 0.000 2.408 444 F HA 0.374 4.903 4.527 0.003 0.000 0.344 444 F C 0.651 176.113 175.800 -0.564 0.000 1.112 444 F CA -0.594 57.292 58.000 -0.190 0.000 1.096 444 F CB 0.928 39.983 39.000 0.092 0.000 1.129 444 F HN 0.007 nan 8.300 nan 0.000 0.486 445 H N 0.881 120.038 119.070 0.144 0.000 2.906 445 H HA 0.325 4.879 4.556 -0.003 0.000 0.337 445 H C -1.105 174.225 175.328 0.002 0.000 1.257 445 H CA -1.035 55.035 56.048 0.036 0.000 1.192 445 H CB 2.201 31.921 29.762 -0.070 0.000 1.912 445 H HN 0.494 nan 8.280 nan 0.000 0.573 446 N N 0.585 119.340 118.700 0.092 0.000 2.314 446 N HA 0.360 5.097 4.740 -0.005 0.000 0.304 446 N C -1.637 173.810 175.510 -0.104 0.000 1.073 446 N CA -0.379 52.675 53.050 0.007 0.000 0.822 446 N CB 2.044 40.536 38.487 0.009 0.000 1.280 446 N HN 0.178 nan 8.380 nan 0.000 0.489 447 V N 2.342 122.161 119.914 -0.158 0.000 2.462 447 V HA 0.186 4.303 4.120 -0.005 0.000 0.288 447 V C -0.055 176.020 176.094 -0.033 0.000 1.020 447 V CA -0.724 61.421 62.300 -0.259 0.000 0.857 447 V CB 1.312 32.653 31.823 -0.803 0.000 1.013 447 V HN 0.671 nan 8.190 nan 0.000 0.431 448 T N 4.761 119.326 114.554 0.018 0.000 2.902 448 T HA 0.098 4.446 4.350 -0.005 0.000 0.301 448 T C 0.638 175.469 174.700 0.218 0.000 1.012 448 T CA 0.183 62.355 62.100 0.120 0.000 1.151 448 T CB 0.058 68.992 68.868 0.109 0.000 0.946 448 T HN 0.613 nan 8.240 nan 0.000 0.542 449 N N 1.126 119.987 118.700 0.268 0.000 2.231 449 N HA 0.461 5.198 4.740 -0.005 0.000 0.223 449 N C 0.564 176.285 175.510 0.353 0.000 1.329 449 N CA 0.276 53.530 53.050 0.341 0.000 0.889 449 N CB 0.403 39.016 38.487 0.211 0.000 1.125 449 N HN 0.880 nan 8.380 nan 0.000 0.447 450 G N -1.450 107.578 108.800 0.379 0.000 2.600 450 G HA2 0.606 4.563 3.960 -0.005 0.000 0.293 450 G HA3 0.606 4.563 3.960 -0.005 0.000 0.293 450 G C -1.478 173.591 174.900 0.282 0.000 1.408 450 G CA -0.615 44.692 45.100 0.345 0.000 0.782 450 G HN 0.584 nan 8.290 nan 0.000 0.482 451 I N -2.660 118.062 120.570 0.253 0.000 2.865 451 I HA 0.783 4.951 4.170 -0.005 0.000 0.302 451 I C -0.159 176.148 176.117 0.316 0.000 1.140 451 I CA -0.957 60.486 61.300 0.238 0.000 1.021 451 I CB 2.229 40.266 38.000 0.062 0.000 1.233 451 I HN 0.526 nan 8.210 nan 0.000 0.427 452 T N 3.810 118.612 114.554 0.412 0.000 2.794 452 T HA 0.444 4.791 4.350 -0.005 0.000 0.296 452 T C -1.713 173.153 174.700 0.276 0.000 0.949 452 T CA -1.490 60.778 62.100 0.280 0.000 1.101 452 T CB 0.801 69.775 68.868 0.176 0.000 0.905 452 T HN 0.616 nan 8.240 nan 0.000 0.516 453 P HA 0.025 nan 4.420 nan 0.000 0.223 453 P C 1.253 178.602 177.300 0.083 0.000 1.151 453 P CA 0.494 63.710 63.100 0.192 0.000 0.787 453 P CB 0.256 32.069 31.700 0.188 0.000 0.788 454 R N 0.006 120.469 120.500 -0.062 0.000 2.092 454 R HA -0.053 4.284 4.340 -0.005 0.000 0.226 454 R C 2.556 178.779 176.300 -0.129 0.000 1.140 454 R CA 1.660 57.676 56.100 -0.140 0.000 0.910 454 R CB -1.284 28.931 30.300 -0.141 0.000 0.822 454 R HN 0.056 nan 8.270 nan 0.000 0.433 455 R N -0.801 119.556 120.500 -0.240 0.000 2.081 455 R HA -0.128 4.209 4.340 -0.005 0.000 0.235 455 R C 1.539 177.552 176.300 -0.478 0.000 1.131 455 R CA 1.750 57.551 56.100 -0.497 0.000 0.960 455 R CB -0.200 29.569 30.300 -0.885 0.000 0.856 455 R HN 0.321 nan 8.270 nan 0.000 0.436 456 W N -0.671 120.647 121.300 0.031 0.000 3.139 456 W HA 0.244 4.902 4.660 -0.004 0.000 0.260 456 W C 1.259 177.809 176.519 0.052 0.000 1.312 456 W CA -0.342 57.026 57.345 0.038 0.000 1.606 456 W CB 0.421 29.908 29.460 0.046 0.000 1.118 456 W HN 0.105 nan 8.180 nan 0.000 0.675 457 I N -1.692 119.016 120.570 0.230 0.000 3.685 457 I HA -0.017 4.150 4.170 -0.005 0.000 0.258 457 I C 2.162 178.385 176.117 0.176 0.000 1.135 457 I CA -0.067 61.354 61.300 0.201 0.000 1.436 457 I CB -0.304 37.848 38.000 0.253 0.000 1.670 457 I HN -0.398 nan 8.210 nan 0.000 0.424 458 K N 1.136 121.667 120.400 0.219 0.000 2.063 458 K HA -0.265 4.052 4.320 -0.005 0.000 0.208 458 K C 2.129 178.728 176.600 -0.001 0.000 1.048 458 K CA 2.034 58.408 56.287 0.144 0.000 0.928 458 K CB 0.049 32.556 32.500 0.011 0.000 0.713 458 K HN 0.251 nan 8.250 nan 0.000 0.442 459 Q N -0.217 119.545 119.800 -0.064 0.000 2.036 459 Q HA -0.125 4.213 4.340 -0.005 0.000 0.195 459 Q C 2.426 178.360 176.000 -0.109 0.000 0.971 459 Q CA 1.606 57.332 55.803 -0.129 0.000 0.826 459 Q CB 0.073 28.707 28.738 -0.174 0.000 0.896 459 Q HN 0.630 nan 8.270 nan 0.000 0.449 460 C N -0.142 119.105 119.300 -0.088 0.000 2.495 460 C HA 0.225 4.682 4.460 -0.005 0.000 0.275 460 C C 1.154 176.132 174.990 -0.020 0.000 1.392 460 C CA -0.125 58.859 59.018 -0.057 0.000 1.766 460 C CB -0.612 27.113 27.740 -0.026 0.000 1.933 460 C HN 0.332 nan 8.230 nan 0.000 0.519 461 N N 1.424 120.121 118.700 -0.005 0.000 2.757 461 N HA 0.300 5.037 4.740 -0.005 0.000 0.296 461 N C -1.596 173.899 175.510 -0.024 0.000 1.874 461 N CA -1.920 51.120 53.050 -0.017 0.000 0.885 461 N CB 0.557 39.037 38.487 -0.011 0.000 1.242 461 N HN 0.300 nan 8.380 nan 0.000 0.488 462 P HA -0.108 nan 4.420 nan 0.000 0.218 462 P C 1.029 178.313 177.300 -0.028 0.000 1.148 462 P CA 0.904 63.984 63.100 -0.033 0.000 0.822 462 P CB 0.380 32.036 31.700 -0.073 0.000 0.784 463 A N -0.166 122.622 122.820 -0.053 0.000 1.930 463 A HA -0.127 4.190 4.320 -0.005 0.000 0.217 463 A C 2.203 179.725 177.584 -0.103 0.000 1.175 463 A CA 1.271 53.266 52.037 -0.071 0.000 0.627 463 A CB -1.567 17.383 19.000 -0.085 0.000 0.815 463 A HN 0.170 nan 8.150 nan 0.000 0.443 464 L N -0.143 121.003 121.223 -0.129 0.000 2.083 464 L HA -0.030 4.307 4.340 -0.005 0.000 0.209 464 L C 2.605 179.388 176.870 -0.145 0.000 1.083 464 L CA 2.103 56.837 54.840 -0.177 0.000 0.752 464 L CB -0.811 41.125 42.059 -0.205 0.000 0.899 464 L HN 0.330 nan 8.230 nan 0.000 0.433 465 A N -0.499 122.294 122.820 -0.045 0.000 1.902 465 A HA -0.087 4.230 4.320 -0.005 0.000 0.217 465 A C 2.449 180.123 177.584 0.151 0.000 1.181 465 A CA 1.786 53.892 52.037 0.115 0.000 0.623 465 A CB -1.113 18.084 19.000 0.329 0.000 0.818 465 A HN 0.568 nan 8.150 nan 0.000 0.443 466 A N -0.511 122.351 122.820 0.069 0.000 1.898 466 A HA -0.008 4.309 4.320 -0.005 0.000 0.216 466 A C 2.111 179.702 177.584 0.013 0.000 1.181 466 A CA 1.643 53.716 52.037 0.060 0.000 0.620 466 A CB -0.658 18.353 19.000 0.019 0.000 0.819 466 A HN 0.684 nan 8.150 nan 0.000 0.442 467 L N -0.009 121.179 121.223 -0.058 0.000 2.043 467 L HA -0.170 4.167 4.340 -0.005 0.000 0.212 467 L C 2.282 179.101 176.870 -0.086 0.000 1.075 467 L CA 1.746 56.528 54.840 -0.096 0.000 0.752 467 L CB -0.455 41.495 42.059 -0.180 0.000 0.891 467 L HN 0.429 nan 8.230 nan 0.000 0.432 468 L N -1.015 120.112 121.223 -0.160 0.000 2.017 468 L HA -0.203 4.134 4.340 -0.005 0.000 0.208 468 L C 2.315 179.149 176.870 -0.061 0.000 1.073 468 L CA 1.347 55.996 54.840 -0.318 0.000 0.745 468 L CB -0.964 40.484 42.059 -1.018 0.000 0.894 468 L HN 0.272 nan 8.230 nan 0.000 0.432 469 D N 0.286 120.809 120.400 0.204 0.000 2.104 469 D HA -0.229 4.408 4.640 -0.005 0.000 0.194 469 D C 2.092 178.474 176.300 0.136 0.000 0.994 469 D CA 1.325 55.503 54.000 0.295 0.000 0.830 469 D CB -0.120 40.833 40.800 0.255 0.000 0.959 469 D HN 0.231 nan 8.370 nan 0.000 0.452 470 K N 0.511 120.953 120.400 0.069 0.000 2.057 470 K HA -0.082 4.235 4.320 -0.005 0.000 0.207 470 K C 2.007 178.615 176.600 0.013 0.000 1.049 470 K CA 1.290 57.601 56.287 0.040 0.000 0.931 470 K CB 0.092 32.603 32.500 0.018 0.000 0.714 470 K HN -0.051 nan 8.250 nan 0.000 0.440 471 S N 0.405 116.062 115.700 -0.071 0.000 2.470 471 S HA 0.103 4.570 4.470 -0.005 0.000 0.225 471 S C 0.614 175.159 174.600 -0.092 0.000 1.006 471 S CA 0.287 58.334 58.200 -0.255 0.000 0.934 471 S CB 0.094 62.912 63.200 -0.637 0.000 0.778 471 S HN 0.157 nan 8.310 nan 0.000 0.517 472 L N 1.439 122.666 121.223 0.005 0.000 2.334 472 L HA 0.386 4.723 4.340 -0.005 0.000 0.276 472 L C 1.355 178.299 176.870 0.124 0.000 1.014 472 L CA -0.478 54.414 54.840 0.087 0.000 0.815 472 L CB 1.414 43.542 42.059 0.115 0.000 1.268 472 L HN 0.022 nan 8.230 nan 0.000 0.428 473 Q N 2.063 121.933 119.800 0.118 0.000 2.119 473 Q HA -0.002 4.335 4.340 -0.005 0.000 0.201 473 Q C -0.070 175.992 176.000 0.103 0.000 0.972 473 Q CA 1.250 57.114 55.803 0.101 0.000 0.847 473 Q CB 0.467 29.255 28.738 0.084 0.000 0.903 473 Q HN 0.515 nan 8.270 nan 0.000 0.433 474 K N 1.082 121.555 120.400 0.121 0.000 2.267 474 K HA 0.181 4.498 4.320 -0.005 0.000 0.246 474 K C -0.947 175.737 176.600 0.141 0.000 0.954 474 K CA -0.715 55.636 56.287 0.106 0.000 0.824 474 K CB 1.652 34.204 32.500 0.086 0.000 1.167 474 K HN -0.051 nan 8.250 nan 0.000 0.431 475 E N 2.446 122.688 120.200 0.069 0.000 2.585 475 E HA -0.133 4.214 4.350 -0.005 0.000 0.252 475 E C 0.260 176.858 176.600 -0.004 0.000 0.981 475 E CA 0.392 56.774 56.400 -0.029 0.000 0.943 475 E CB 0.257 29.925 29.700 -0.054 0.000 0.923 475 E HN 0.610 nan 8.360 nan 0.000 0.486 476 W N 3.892 125.197 121.300 0.007 0.000 3.013 476 W HA 0.321 4.978 4.660 -0.005 0.000 0.280 476 W C 0.942 177.422 176.519 -0.065 0.000 1.249 476 W CA 0.333 57.670 57.345 -0.014 0.000 1.577 476 W CB -0.643 28.814 29.460 -0.004 0.000 1.057 476 W HN 0.589 nan 8.180 nan 0.000 0.613 477 A N 2.864 125.074 122.820 -1.017 0.000 2.015 477 A HA -0.227 4.091 4.320 -0.005 0.000 0.219 477 A C 1.468 178.669 177.584 -0.638 0.000 1.163 477 A CA 1.778 53.161 52.037 -1.090 0.000 0.646 477 A CB -0.981 17.058 19.000 -1.602 0.000 0.806 477 A HN 0.393 nan 8.150 nan 0.000 0.448 478 N N -1.323 117.120 118.700 -0.428 0.000 2.338 478 N HA 0.203 4.940 4.740 -0.005 0.000 0.251 478 N C -0.875 174.597 175.510 -0.064 0.000 1.199 478 N CA 0.217 53.151 53.050 -0.193 0.000 0.879 478 N CB 0.470 38.911 38.487 -0.076 0.000 1.159 478 N HN 0.142 nan 8.380 nan 0.000 0.514 479 D N 0.056 120.441 120.400 -0.025 0.000 3.595 479 D HA 0.042 4.679 4.640 -0.005 0.000 0.253 479 D C 0.050 176.410 176.300 0.100 0.000 1.395 479 D CA -0.365 53.656 54.000 0.034 0.000 0.820 479 D CB -0.143 40.675 40.800 0.030 0.000 1.431 479 D HN 0.007 nan 8.370 nan 0.000 0.690 480 L N 0.802 122.089 121.223 0.107 0.000 2.376 480 L HA 0.087 4.424 4.340 -0.005 0.000 0.219 480 L C 1.402 178.342 176.870 0.116 0.000 1.133 480 L CA 1.444 56.384 54.840 0.166 0.000 0.816 480 L CB -0.002 42.149 42.059 0.154 0.000 0.933 480 L HN 0.177 nan 8.230 nan 0.000 0.449 481 D N -0.721 119.720 120.400 0.069 0.000 2.311 481 D HA -0.177 4.460 4.640 -0.005 0.000 0.212 481 D C 1.893 178.226 176.300 0.055 0.000 0.972 481 D CA 0.571 54.594 54.000 0.040 0.000 0.887 481 D CB 0.088 40.898 40.800 0.015 0.000 0.915 481 D HN 0.420 nan 8.370 nan 0.000 0.497 482 Q N 0.032 119.887 119.800 0.092 0.000 2.297 482 Q HA -0.112 4.225 4.340 -0.005 0.000 0.208 482 Q C 2.087 178.137 176.000 0.084 0.000 0.981 482 Q CA 0.363 56.229 55.803 0.105 0.000 0.876 482 Q CB -0.226 28.614 28.738 0.169 0.000 0.921 482 Q HN 0.305 nan 8.270 nan 0.000 0.446 483 L N 0.184 121.450 121.223 0.071 0.000 2.265 483 L HA -0.143 4.194 4.340 -0.005 0.000 0.215 483 L C 2.101 178.979 176.870 0.012 0.000 1.117 483 L CA 0.827 55.676 54.840 0.015 0.000 0.782 483 L CB -0.822 41.242 42.059 0.008 0.000 0.914 483 L HN 0.174 nan 8.230 nan 0.000 0.441 484 I N 0.031 120.613 120.570 0.020 0.000 2.423 484 I HA -0.286 3.881 4.170 -0.005 0.000 0.254 484 I C 2.054 178.177 176.117 0.010 0.000 1.151 484 I CA 1.225 62.529 61.300 0.008 0.000 1.421 484 I CB -0.442 37.560 38.000 0.003 0.000 1.079 484 I HN 0.367 nan 8.210 nan 0.000 0.431 485 N N 0.260 118.979 118.700 0.031 0.000 2.519 485 N HA -0.121 4.616 4.740 -0.005 0.000 0.186 485 N C 1.781 177.358 175.510 0.112 0.000 1.062 485 N CA 0.915 53.999 53.050 0.057 0.000 0.910 485 N CB -0.243 38.293 38.487 0.081 0.000 0.958 485 N HN 0.432 nan 8.380 nan 0.000 0.445 486 L N 1.007 122.270 121.223 0.067 0.000 2.465 486 L HA -0.052 4.285 4.340 -0.005 0.000 0.224 486 L C 1.992 178.872 176.870 0.017 0.000 1.145 486 L CA 0.551 55.432 54.840 0.069 0.000 0.834 486 L CB -0.181 41.843 42.059 -0.058 0.000 0.944 486 L HN 0.146 nan 8.230 nan 0.000 0.451 487 E N 0.815 120.999 120.200 -0.027 0.000 2.058 487 E HA -0.284 4.063 4.350 -0.005 0.000 0.194 487 E C 2.106 178.628 176.600 -0.129 0.000 0.997 487 E CA 1.741 58.094 56.400 -0.077 0.000 0.801 487 E CB -0.049 29.611 29.700 -0.068 0.000 0.746 487 E HN 0.562 nan 8.360 nan 0.000 0.450 488 K N 0.481 120.774 120.400 -0.179 0.000 2.103 488 K HA -0.173 4.144 4.320 -0.005 0.000 0.207 488 K C 1.824 178.188 176.600 -0.394 0.000 1.048 488 K CA 1.669 57.775 56.287 -0.302 0.000 0.930 488 K CB -0.566 31.690 32.500 -0.405 0.000 0.716 488 K HN 0.047 nan 8.250 nan 0.000 0.444 489 F N 1.957 121.667 119.950 -0.399 0.000 2.408 489 F HA -0.052 4.472 4.527 -0.005 0.000 0.300 489 F C 2.596 178.128 175.800 -0.447 0.000 1.090 489 F CA 0.886 58.503 58.000 -0.638 0.000 1.427 489 F CB -0.361 37.713 39.000 -1.543 0.000 1.070 489 F HN 0.176 nan 8.300 nan 0.000 0.549 490 A N -0.458 122.264 122.820 -0.163 0.000 2.067 490 A HA -0.151 4.167 4.320 -0.005 0.000 0.219 490 A C 1.801 179.362 177.584 -0.038 0.000 1.158 490 A CA 1.631 53.626 52.037 -0.070 0.000 0.661 490 A CB -0.504 18.436 19.000 -0.100 0.000 0.801 490 A HN 0.231 nan 8.150 nan 0.000 0.452 491 D N -0.034 120.320 120.400 -0.077 0.000 2.355 491 D HA -0.010 4.627 4.640 -0.005 0.000 0.218 491 D C -0.203 176.081 176.300 -0.027 0.000 1.004 491 D CA 0.418 54.383 54.000 -0.059 0.000 0.880 491 D CB 0.062 40.804 40.800 -0.095 0.000 0.911 491 D HN 0.419 nan 8.370 nan 0.000 0.528 492 D N 0.063 120.471 120.400 0.013 0.000 2.317 492 D HA 0.297 4.934 4.640 -0.005 0.000 0.234 492 D C 0.947 177.333 176.300 0.143 0.000 1.112 492 D CA -0.541 53.506 54.000 0.078 0.000 0.840 492 D CB 1.541 42.418 40.800 0.127 0.000 1.078 492 D HN -0.113 nan 8.370 nan 0.000 0.486 493 A N 5.409 128.285 122.820 0.093 0.000 1.933 493 A HA -0.167 4.150 4.320 -0.005 0.000 0.218 493 A C 1.993 179.638 177.584 0.102 0.000 1.175 493 A CA 1.234 53.321 52.037 0.084 0.000 0.628 493 A CB -0.431 18.598 19.000 0.049 0.000 0.814 493 A HN 0.644 nan 8.150 nan 0.000 0.444 494 K N -1.090 119.379 120.400 0.116 0.000 2.026 494 K HA -0.197 4.120 4.320 -0.005 0.000 0.208 494 K C 1.884 178.566 176.600 0.138 0.000 1.048 494 K CA 1.873 58.225 56.287 0.109 0.000 0.929 494 K CB -0.472 32.094 32.500 0.110 0.000 0.713 494 K HN 0.381 nan 8.250 nan 0.000 0.439 495 F N 2.174 122.178 119.950 0.090 0.000 2.095 495 F HA -0.174 4.350 4.527 -0.005 0.000 0.298 495 F C 2.383 178.235 175.800 0.087 0.000 1.104 495 F CA 1.673 59.735 58.000 0.103 0.000 1.232 495 F CB -0.087 39.028 39.000 0.192 0.000 0.987 495 F HN 0.014 nan 8.300 nan 0.000 0.475 496 R N -0.161 120.492 120.500 0.256 0.000 2.096 496 R HA -0.216 4.121 4.340 -0.005 0.000 0.235 496 R C 2.369 178.708 176.300 0.065 0.000 1.127 496 R CA 1.604 57.794 56.100 0.149 0.000 0.968 496 R CB -0.748 29.628 30.300 0.127 0.000 0.861 496 R HN 0.486 nan 8.270 nan 0.000 0.440 497 Q N 1.156 120.980 119.800 0.041 0.000 2.050 497 Q HA -0.232 4.105 4.340 -0.005 0.000 0.202 497 Q C 1.963 177.942 176.000 -0.035 0.000 0.980 497 Q CA 1.653 57.460 55.803 0.008 0.000 0.840 497 Q CB 0.070 28.813 28.738 0.009 0.000 0.898 497 Q HN 0.464 nan 8.270 nan 0.000 0.424 498 Q N -0.879 118.866 119.800 -0.093 0.000 2.084 498 Q HA -0.209 4.128 4.340 -0.005 0.000 0.202 498 Q C 1.891 177.782 176.000 -0.183 0.000 0.978 498 Q CA 1.688 57.394 55.803 -0.161 0.000 0.844 498 Q CB -0.231 28.359 28.738 -0.247 0.000 0.898 498 Q HN 0.464 nan 8.270 nan 0.000 0.426 499 Y N 1.206 121.277 120.300 -0.382 0.000 2.200 499 Y HA -0.193 4.354 4.550 -0.005 0.000 0.290 499 Y C 2.474 178.292 175.900 -0.137 0.000 1.137 499 Y CA 1.601 59.515 58.100 -0.309 0.000 1.163 499 Y CB 0.013 38.283 38.460 -0.317 0.000 0.988 499 Y HN -0.082 nan 8.280 nan 0.000 0.518 500 R N 0.485 121.063 120.500 0.131 0.000 2.081 500 R HA -0.178 4.159 4.340 -0.005 0.000 0.235 500 R C 1.970 178.248 176.300 -0.037 0.000 1.131 500 R CA 2.018 58.162 56.100 0.073 0.000 0.960 500 R CB -0.280 30.061 30.300 0.068 0.000 0.856 500 R HN 0.452 nan 8.270 nan 0.000 0.436 501 E N 0.212 120.376 120.200 -0.060 0.000 2.150 501 E HA -0.155 4.192 4.350 -0.005 0.000 0.193 501 E C 2.004 178.543 176.600 -0.103 0.000 0.985 501 E CA 1.277 57.632 56.400 -0.075 0.000 0.814 501 E CB -0.027 29.633 29.700 -0.067 0.000 0.752 501 E HN 0.420 nan 8.360 nan 0.000 0.466 502 I N 0.956 121.437 120.570 -0.148 0.000 2.202 502 I HA -0.261 3.906 4.170 -0.005 0.000 0.242 502 I C 2.417 178.430 176.117 -0.174 0.000 1.091 502 I CA 0.889 62.082 61.300 -0.178 0.000 1.368 502 I CB -0.131 37.715 38.000 -0.256 0.000 1.058 502 I HN -0.016 nan 8.210 nan 0.000 0.410 503 K N 0.877 121.156 120.400 -0.202 0.000 2.074 503 K HA -0.226 4.091 4.320 -0.005 0.000 0.209 503 K C 2.128 178.657 176.600 -0.119 0.000 1.048 503 K CA 1.711 57.912 56.287 -0.144 0.000 0.926 503 K CB -0.242 32.209 32.500 -0.082 0.000 0.713 503 K HN 0.222 nan 8.250 nan 0.000 0.444 504 Q N -0.529 119.204 119.800 -0.112 0.000 2.172 504 Q HA 0.028 4.365 4.340 -0.005 0.000 0.200 504 Q C 2.099 178.041 176.000 -0.098 0.000 0.964 504 Q CA 1.376 57.105 55.803 -0.124 0.000 0.855 504 Q CB -0.255 28.422 28.738 -0.101 0.000 0.918 504 Q HN 0.437 nan 8.270 nan 0.000 0.444 505 A N 1.691 124.465 122.820 -0.077 0.000 1.933 505 A HA -0.190 4.127 4.320 -0.005 0.000 0.218 505 A C 1.825 179.387 177.584 -0.036 0.000 1.175 505 A CA 1.406 53.413 52.037 -0.051 0.000 0.628 505 A CB -0.386 18.584 19.000 -0.051 0.000 0.814 505 A HN 0.300 nan 8.150 nan 0.000 0.444 506 N N 0.182 118.851 118.700 -0.051 0.000 2.166 506 N HA -0.127 4.610 4.740 -0.005 0.000 0.186 506 N C 1.580 177.101 175.510 0.018 0.000 1.019 506 N CA 1.538 54.576 53.050 -0.021 0.000 0.856 506 N CB -0.332 38.134 38.487 -0.034 0.000 0.993 506 N HN 0.578 nan 8.380 nan 0.000 0.426 507 K N 0.436 120.810 120.400 -0.042 0.000 2.057 507 K HA -0.005 4.313 4.320 -0.005 0.000 0.207 507 K C 2.002 178.664 176.600 0.103 0.000 1.049 507 K CA 0.652 56.913 56.287 -0.042 0.000 0.931 507 K CB -0.132 32.057 32.500 -0.518 0.000 0.714 507 K HN -0.065 nan 8.250 nan 0.000 0.440 508 V N 1.549 121.481 119.914 0.031 0.000 2.332 508 V HA -0.260 3.857 4.120 -0.005 0.000 0.248 508 V C 2.263 178.417 176.094 0.100 0.000 1.055 508 V CA 1.686 64.025 62.300 0.066 0.000 1.038 508 V CB -0.446 31.391 31.823 0.025 0.000 0.651 508 V HN 0.289 nan 8.190 nan 0.000 0.450 509 R N -0.792 119.759 120.500 0.085 0.000 2.075 509 R HA -0.118 4.219 4.340 -0.005 0.000 0.232 509 R C 2.243 178.632 176.300 0.149 0.000 1.126 509 R CA 1.412 57.568 56.100 0.094 0.000 0.963 509 R CB -0.554 29.777 30.300 0.052 0.000 0.858 509 R HN 0.387 nan 8.270 nan 0.000 0.435 510 L N 1.002 122.332 121.223 0.179 0.000 2.017 510 L HA -0.101 4.236 4.340 -0.005 0.000 0.208 510 L C 2.262 179.291 176.870 0.265 0.000 1.073 510 L CA 2.004 56.990 54.840 0.243 0.000 0.745 510 L CB -0.794 41.439 42.059 0.290 0.000 0.894 510 L HN 0.114 nan 8.230 nan 0.000 0.432 511 A N -0.814 122.159 122.820 0.255 0.000 1.948 511 A HA -0.265 4.052 4.320 -0.005 0.000 0.220 511 A C 2.165 179.839 177.584 0.149 0.000 1.177 511 A CA 2.045 54.198 52.037 0.192 0.000 0.636 511 A CB -0.654 18.470 19.000 0.207 0.000 0.815 511 A HN 0.656 nan 8.150 nan 0.000 0.449 512 E N -1.597 118.698 120.200 0.160 0.000 2.047 512 E HA -0.133 4.214 4.350 -0.005 0.000 0.191 512 E C 1.769 178.469 176.600 0.167 0.000 0.987 512 E CA 1.138 57.620 56.400 0.136 0.000 0.799 512 E CB -0.279 29.499 29.700 0.130 0.000 0.752 512 E HN 0.669 nan 8.360 nan 0.000 0.449 513 F N 1.312 121.296 119.950 0.057 0.000 2.126 513 F HA -0.243 4.281 4.527 -0.005 0.000 0.299 513 F C 2.092 177.924 175.800 0.054 0.000 1.096 513 F CA 1.107 59.141 58.000 0.056 0.000 1.255 513 F CB -0.285 38.755 39.000 0.065 0.000 0.997 513 F HN -0.190 nan 8.300 nan 0.000 0.479 514 V N 0.628 120.591 119.914 0.082 0.000 2.343 514 V HA -0.320 3.797 4.120 -0.005 0.000 0.247 514 V C 2.441 178.496 176.094 -0.065 0.000 1.051 514 V CA 2.300 64.583 62.300 -0.028 0.000 1.036 514 V CB -0.725 31.117 31.823 0.032 0.000 0.654 514 V HN 0.368 nan 8.190 nan 0.000 0.451 515 K N 0.589 120.982 120.400 -0.013 0.000 2.057 515 K HA -0.161 4.156 4.320 -0.005 0.000 0.207 515 K C 2.060 178.636 176.600 -0.039 0.000 1.049 515 K CA 1.955 58.236 56.287 -0.010 0.000 0.931 515 K CB -0.337 32.175 32.500 0.020 0.000 0.714 515 K HN 0.401 nan 8.250 nan 0.000 0.440 516 V N -0.234 119.641 119.914 -0.065 0.000 2.548 516 V HA -0.038 4.079 4.120 -0.005 0.000 0.249 516 V C 1.780 177.789 176.094 -0.141 0.000 1.055 516 V CA 1.126 63.377 62.300 -0.082 0.000 1.065 516 V CB -0.396 31.395 31.823 -0.055 0.000 0.681 516 V HN 0.267 nan 8.190 nan 0.000 0.462 517 R N 1.008 121.357 120.500 -0.252 0.000 2.246 517 R HA 0.128 4.465 4.340 -0.005 0.000 0.199 517 R C 1.942 178.175 176.300 -0.111 0.000 0.984 517 R CA 1.340 57.292 56.100 -0.247 0.000 1.015 517 R CB -0.196 29.839 30.300 -0.442 0.000 0.930 517 R HN 0.827 nan 8.270 nan 0.000 0.475 518 T N -6.052 108.460 114.554 -0.071 0.000 3.092 518 T HA 0.197 4.544 4.350 -0.005 0.000 0.273 518 T C 1.303 176.003 174.700 -0.000 0.000 0.898 518 T CA 0.666 62.761 62.100 -0.008 0.000 0.868 518 T CB 0.827 69.708 68.868 0.022 0.000 1.228 518 T HN 0.233 nan 8.240 nan 0.000 0.555 519 G N 2.041 110.834 108.800 -0.013 0.000 2.245 519 G HA2 -0.236 3.721 3.960 -0.005 0.000 0.264 519 G HA3 -0.236 3.721 3.960 -0.005 0.000 0.264 519 G C 0.087 174.989 174.900 0.003 0.000 0.985 519 G CA 0.304 45.403 45.100 -0.002 0.000 0.625 519 G HN 0.725 nan 8.290 nan 0.000 0.536 520 I N 1.286 121.858 120.570 0.003 0.000 2.496 520 I HA 0.282 4.449 4.170 -0.005 0.000 0.285 520 I C 0.663 176.782 176.117 0.003 0.000 1.080 520 I CA -0.096 61.205 61.300 0.003 0.000 1.404 520 I CB 1.252 39.253 38.000 0.002 0.000 1.403 520 I HN 0.215 nan 8.210 nan 0.000 0.539 521 E N 7.829 128.033 120.200 0.007 0.000 2.046 521 E HA 0.357 4.704 4.350 -0.005 0.000 0.279 521 E C -0.711 175.898 176.600 0.015 0.000 0.989 521 E CA -0.598 55.812 56.400 0.017 0.000 0.798 521 E CB 0.666 30.378 29.700 0.019 0.000 1.086 521 E HN 0.510 nan 8.360 nan 0.000 0.399 522 I N 1.457 122.039 120.570 0.020 0.000 2.437 522 I HA 0.465 4.632 4.170 -0.005 0.000 0.298 522 I C -0.203 175.976 176.117 0.102 0.000 0.984 522 I CA -1.166 60.144 61.300 0.017 0.000 1.214 522 I CB 1.448 39.389 38.000 -0.099 0.000 1.365 522 I HN 0.286 nan 8.210 nan 0.000 0.469 523 N N 7.028 125.796 118.700 0.115 0.000 2.411 523 N HA 0.320 5.058 4.740 -0.005 0.000 0.259 523 N C -1.831 173.815 175.510 0.227 0.000 1.103 523 N CA -2.208 50.920 53.050 0.130 0.000 0.954 523 N CB 0.896 39.425 38.487 0.070 0.000 1.085 523 N HN 0.419 nan 8.380 nan 0.000 0.485 524 P HA -0.037 nan 4.420 nan 0.000 0.242 524 P C 0.269 177.482 177.300 -0.145 0.000 1.197 524 P CA 0.903 63.986 63.100 -0.028 0.000 0.765 524 P CB 0.304 31.986 31.700 -0.030 0.000 0.936 525 Q N -0.756 119.019 119.800 -0.042 0.000 2.424 525 Q HA 0.208 4.545 4.340 -0.005 0.000 0.204 525 Q C 0.858 176.830 176.000 -0.047 0.000 0.933 525 Q CA -0.170 55.607 55.803 -0.044 0.000 0.929 525 Q CB 0.086 28.815 28.738 -0.014 0.000 1.037 525 Q HN 0.168 nan 8.270 nan 0.000 0.511 526 A N 0.783 123.587 122.820 -0.027 0.000 2.332 526 A HA 0.276 4.593 4.320 -0.005 0.000 0.258 526 A C -0.106 177.356 177.584 -0.203 0.000 1.087 526 A CA -0.444 51.550 52.037 -0.070 0.000 0.802 526 A CB 0.205 19.223 19.000 0.029 0.000 1.042 526 A HN 0.272 nan 8.150 nan 0.000 0.489 527 I N 1.514 121.815 120.570 -0.449 0.000 2.598 527 I HA 0.006 4.173 4.170 -0.005 0.000 0.284 527 I C -0.678 175.357 176.117 -0.136 0.000 1.140 527 I CA 0.258 61.188 61.300 -0.617 0.000 1.420 527 I CB 0.030 37.534 38.000 -0.827 0.000 1.387 527 I HN 0.352 nan 8.210 nan 0.000 0.553 528 F N 5.085 124.839 119.950 -0.327 0.000 2.375 528 F HA 0.190 4.714 4.527 -0.005 0.000 0.362 528 F C 0.627 176.264 175.800 -0.271 0.000 1.129 528 F CA -0.916 56.931 58.000 -0.255 0.000 1.154 528 F CB 0.011 38.934 39.000 -0.129 0.000 1.205 528 F HN 0.381 nan 8.300 nan 0.000 0.513 529 D N 5.532 125.764 120.400 -0.280 0.000 2.373 529 D HA 0.334 4.971 4.640 -0.005 0.000 0.227 529 D C -0.524 175.602 176.300 -0.291 0.000 1.091 529 D CA -0.076 53.706 54.000 -0.364 0.000 0.840 529 D CB 0.714 41.007 40.800 -0.846 0.000 1.060 529 D HN 0.333 nan 8.370 nan 0.000 0.502 530 I N 3.133 123.598 120.570 -0.175 0.000 2.418 530 I HA 0.221 4.388 4.170 -0.005 0.000 0.287 530 I C -0.064 175.928 176.117 -0.208 0.000 1.008 530 I CA -0.678 60.504 61.300 -0.197 0.000 1.104 530 I CB 2.101 40.045 38.000 -0.094 0.000 1.264 530 I HN 0.165 nan 8.210 nan 0.000 0.438 531 Q N 7.990 127.580 119.800 -0.350 0.000 2.381 531 Q HA 0.613 4.950 4.340 -0.005 0.000 0.263 531 Q C -1.308 174.518 176.000 -0.290 0.000 1.030 531 Q CA -0.587 55.047 55.803 -0.283 0.000 0.772 531 Q CB 1.660 30.228 28.738 -0.283 0.000 1.232 531 Q HN 0.722 nan 8.270 nan 0.000 0.476 532 I N 1.875 122.280 120.570 -0.275 0.000 2.478 532 I HA 0.697 4.864 4.170 -0.005 0.000 0.287 532 I C -1.225 174.676 176.117 -0.359 0.000 1.042 532 I CA -0.716 60.287 61.300 -0.494 0.000 1.067 532 I CB 1.577 39.254 38.000 -0.538 0.000 1.233 532 I HN 0.548 nan 8.210 nan 0.000 0.431 533 K N 3.292 123.476 120.400 -0.361 0.000 3.423 533 K HA 0.312 4.630 4.320 -0.005 0.000 0.374 533 K C -1.432 175.169 176.600 0.002 0.000 1.110 533 K CA -1.214 55.034 56.287 -0.066 0.000 0.868 533 K CB 0.524 32.979 32.500 -0.075 0.000 1.445 533 K HN 0.623 nan 8.250 nan 0.000 0.454 534 R N 0.536 121.079 120.500 0.072 0.000 2.698 534 R HA 0.089 4.426 4.340 -0.005 0.000 0.266 534 R C 0.043 176.367 176.300 0.040 0.000 1.026 534 R CA -0.695 55.462 56.100 0.096 0.000 1.102 534 R CB 0.134 30.503 30.300 0.114 0.000 0.978 534 R HN 0.337 nan 8.270 nan 0.000 0.436 535 L N 4.571 125.832 121.223 0.064 0.000 2.369 535 L HA 0.110 4.447 4.340 -0.005 0.000 0.279 535 L C -0.429 176.410 176.870 -0.052 0.000 1.108 535 L CA 0.806 55.636 54.840 -0.017 0.000 0.852 535 L CB -0.131 41.914 42.059 -0.023 0.000 1.169 535 L HN 0.604 nan 8.230 nan 0.000 0.452 536 H N 3.465 122.408 119.070 -0.212 0.000 2.954 536 H HA 0.128 4.681 4.556 -0.004 0.000 0.361 536 H C 0.499 175.661 175.328 -0.277 0.000 1.122 536 H CA -0.383 55.558 56.048 -0.178 0.000 1.217 536 H CB 1.527 31.146 29.762 -0.239 0.000 1.776 536 H HN 0.718 nan 8.280 nan 0.000 0.533 537 E N 2.424 122.674 120.200 0.083 0.000 2.136 537 E HA -0.298 4.050 4.350 -0.005 0.000 0.202 537 E C 1.281 177.720 176.600 -0.268 0.000 1.019 537 E CA 2.328 58.696 56.400 -0.054 0.000 0.819 537 E CB -0.035 29.666 29.700 0.001 0.000 0.739 537 E HN 0.619 nan 8.360 nan 0.000 0.458 538 Y N 0.104 120.067 120.300 -0.562 0.000 2.352 538 Y HA -0.032 4.516 4.550 -0.003 0.000 0.292 538 Y C 1.571 177.345 175.900 -0.210 0.000 1.136 538 Y CA 1.002 58.707 58.100 -0.657 0.000 1.227 538 Y CB -0.206 37.908 38.460 -0.577 0.000 0.991 538 Y HN -0.157 nan 8.280 nan 0.000 0.545 539 K N 0.569 120.649 120.400 -0.532 0.000 2.366 539 K HA 0.072 4.389 4.320 -0.005 0.000 0.198 539 K C 0.210 176.745 176.600 -0.108 0.000 1.044 539 K CA 0.588 56.668 56.287 -0.344 0.000 0.973 539 K CB -0.017 32.223 32.500 -0.433 0.000 0.767 539 K HN 0.212 nan 8.250 nan 0.000 0.475 540 R N 0.479 120.972 120.500 -0.012 0.000 3.332 540 R HA -0.227 4.110 4.340 -0.005 0.000 0.263 540 R C 0.350 176.705 176.300 0.092 0.000 1.053 540 R CA 0.161 56.310 56.100 0.082 0.000 0.705 540 R CB -1.865 28.403 30.300 -0.054 0.000 1.166 540 R HN 0.287 nan 8.270 nan 0.000 0.427 541 Q N 0.036 119.918 119.800 0.136 0.000 2.152 541 Q HA -0.202 4.135 4.340 -0.005 0.000 0.206 541 Q C 2.139 178.236 176.000 0.163 0.000 0.985 541 Q CA 2.193 58.084 55.803 0.145 0.000 0.863 541 Q CB -0.227 28.527 28.738 0.027 0.000 0.904 541 Q HN 0.719 nan 8.270 nan 0.000 0.422 542 H N -0.664 118.377 119.070 -0.048 0.000 2.423 542 H HA -0.074 4.479 4.556 -0.005 0.000 0.297 542 H C 1.929 177.267 175.328 0.017 0.000 1.075 542 H CA 1.154 57.171 56.048 -0.052 0.000 1.342 542 H CB -0.766 28.962 29.762 -0.056 0.000 1.395 542 H HN 0.266 nan 8.280 nan 0.000 0.530 543 L N 1.657 122.811 121.223 -0.115 0.000 2.046 543 L HA -0.140 4.197 4.340 -0.005 0.000 0.208 543 L C 2.243 179.211 176.870 0.164 0.000 1.077 543 L CA 2.094 56.919 54.840 -0.025 0.000 0.747 543 L CB -1.222 40.734 42.059 -0.171 0.000 0.896 543 L HN 0.400 nan 8.230 nan 0.000 0.432 544 N N -1.068 117.716 118.700 0.140 0.000 2.061 544 N HA -0.276 4.461 4.740 -0.005 0.000 0.193 544 N C 1.972 177.603 175.510 0.202 0.000 1.030 544 N CA 1.563 54.791 53.050 0.297 0.000 0.856 544 N CB -0.210 38.449 38.487 0.288 0.000 1.023 544 N HN 0.386 nan 8.380 nan 0.000 0.424 545 L N 1.039 122.328 121.223 0.111 0.000 2.093 545 L HA -0.046 4.291 4.340 -0.005 0.000 0.208 545 L C 1.928 178.782 176.870 -0.025 0.000 1.085 545 L CA 1.247 56.065 54.840 -0.038 0.000 0.755 545 L CB -0.407 41.569 42.059 -0.138 0.000 0.904 545 L HN 0.280 nan 8.230 nan 0.000 0.435 546 L N -0.967 120.311 121.223 0.091 0.000 2.042 546 L HA -0.285 4.052 4.340 -0.005 0.000 0.210 546 L C 2.707 179.787 176.870 0.351 0.000 1.076 546 L CA 1.848 56.792 54.840 0.173 0.000 0.749 546 L CB -1.092 41.078 42.059 0.185 0.000 0.893 546 L HN 0.520 nan 8.230 nan 0.000 0.432 547 H N 0.548 119.787 119.070 0.282 0.000 2.353 547 H HA -0.166 4.388 4.556 -0.004 0.000 0.300 547 H C 2.377 177.634 175.328 -0.118 0.000 1.090 547 H CA 1.774 57.854 56.048 0.054 0.000 1.327 547 H CB 0.185 29.870 29.762 -0.127 0.000 1.383 547 H HN 0.285 nan 8.280 nan 0.000 0.508 548 I N 0.772 121.087 120.570 -0.426 0.000 2.226 548 I HA -0.314 3.854 4.170 -0.005 0.000 0.245 548 I C 2.621 178.567 176.117 -0.286 0.000 1.100 548 I CA 0.813 61.731 61.300 -0.637 0.000 1.374 548 I CB -0.215 37.384 38.000 -0.668 0.000 1.057 548 I HN 0.255 nan 8.210 nan 0.000 0.413 549 L N 0.442 121.581 121.223 -0.139 0.000 2.042 549 L HA -0.249 4.088 4.340 -0.005 0.000 0.210 549 L C 2.850 179.742 176.870 0.038 0.000 1.076 549 L CA 1.484 56.327 54.840 0.005 0.000 0.749 549 L CB -0.772 41.282 42.059 -0.008 0.000 0.893 549 L HN 0.268 nan 8.230 nan 0.000 0.432 550 A N -0.040 122.796 122.820 0.027 0.000 1.902 550 A HA -0.162 4.156 4.320 -0.005 0.000 0.217 550 A C 2.261 179.830 177.584 -0.025 0.000 1.181 550 A CA 1.375 53.450 52.037 0.063 0.000 0.623 550 A CB -0.667 18.457 19.000 0.208 0.000 0.818 550 A HN 0.348 nan 8.150 nan 0.000 0.443 551 L N -1.874 119.255 121.223 -0.157 0.000 2.046 551 L HA -0.194 4.143 4.340 -0.005 0.000 0.208 551 L C 2.640 179.530 176.870 0.032 0.000 1.077 551 L CA 1.695 56.467 54.840 -0.113 0.000 0.747 551 L CB -0.602 41.332 42.059 -0.209 0.000 0.896 551 L HN 0.595 nan 8.230 nan 0.000 0.432 552 Y N 1.204 121.440 120.300 -0.107 0.000 2.145 552 Y HA -0.294 4.253 4.550 -0.005 0.000 0.286 552 Y C 2.624 178.515 175.900 -0.015 0.000 1.145 552 Y CA 1.591 59.661 58.100 -0.051 0.000 1.148 552 Y CB -0.447 37.983 38.460 -0.049 0.000 0.981 552 Y HN 0.041 nan 8.280 nan 0.000 0.507 553 K N 0.343 120.676 120.400 -0.112 0.000 2.020 553 K HA -0.297 4.020 4.320 -0.005 0.000 0.212 553 K C 2.259 178.805 176.600 -0.090 0.000 1.050 553 K CA 2.081 58.266 56.287 -0.170 0.000 0.929 553 K CB -0.372 32.083 32.500 -0.075 0.000 0.714 553 K HN 0.509 nan 8.250 nan 0.000 0.443 554 E N 0.781 120.963 120.200 -0.029 0.000 2.085 554 E HA -0.208 4.139 4.350 -0.005 0.000 0.194 554 E C 2.041 178.637 176.600 -0.007 0.000 0.994 554 E CA 1.683 58.076 56.400 -0.012 0.000 0.801 554 E CB -0.233 29.468 29.700 0.000 0.000 0.743 554 E HN 0.589 nan 8.360 nan 0.000 0.453 555 I N -1.993 118.586 120.570 0.016 0.000 2.761 555 I HA -0.105 4.062 4.170 -0.005 0.000 0.261 555 I C 2.174 178.302 176.117 0.017 0.000 1.198 555 I CA 0.735 62.056 61.300 0.034 0.000 1.482 555 I CB -0.179 37.867 38.000 0.076 0.000 1.100 555 I HN -0.008 nan 8.210 nan 0.000 0.445 556 R N 1.423 121.902 120.500 -0.035 0.000 2.073 556 R HA -0.005 4.333 4.340 -0.005 0.000 0.229 556 R C 1.201 177.467 176.300 -0.057 0.000 1.120 556 R CA 1.436 57.490 56.100 -0.076 0.000 0.967 556 R CB -0.061 30.106 30.300 -0.222 0.000 0.862 556 R HN 0.534 nan 8.270 nan 0.000 0.436 557 E N 0.224 120.391 120.200 -0.056 0.000 2.394 557 E HA 0.046 4.393 4.350 -0.005 0.000 0.191 557 E C -0.582 176.006 176.600 -0.021 0.000 1.044 557 E CA -0.127 56.249 56.400 -0.040 0.000 0.939 557 E CB 0.274 29.949 29.700 -0.043 0.000 1.089 557 E HN 0.060 nan 8.360 nan 0.000 0.456 558 N N 0.452 119.144 118.700 -0.014 0.000 3.357 558 N HA 0.028 4.765 4.740 -0.005 0.000 0.206 558 N C -2.447 173.064 175.510 0.001 0.000 1.458 558 N CA -1.120 51.927 53.050 -0.005 0.000 0.776 558 N CB 0.850 39.335 38.487 -0.003 0.000 1.626 558 N HN -0.192 nan 8.380 nan 0.000 0.644 559 P HA -0.075 nan 4.420 nan 0.000 0.228 559 P C -0.107 177.198 177.300 0.008 0.000 1.151 559 P CA 1.023 64.128 63.100 0.008 0.000 0.770 559 P CB 0.420 32.125 31.700 0.007 0.000 0.786 560 Q N -0.276 119.528 119.800 0.005 0.000 2.341 560 Q HA 0.437 4.774 4.340 -0.005 0.000 0.325 560 Q C 0.100 176.103 176.000 0.005 0.000 0.920 560 Q CA -0.352 55.455 55.803 0.005 0.000 1.065 560 Q CB 0.186 28.927 28.738 0.004 0.000 1.218 560 Q HN 0.104 nan 8.270 nan 0.000 0.434 561 A N 0.161 122.984 122.820 0.006 0.000 2.425 561 A HA 0.101 4.418 4.320 -0.005 0.000 0.249 561 A C 0.582 178.169 177.584 0.005 0.000 1.084 561 A CA -0.264 51.776 52.037 0.006 0.000 0.781 561 A CB 0.429 19.433 19.000 0.007 0.000 1.019 561 A HN 0.250 nan 8.150 nan 0.000 0.490 562 D N 0.452 120.854 120.400 0.004 0.000 2.363 562 D HA -0.009 4.628 4.640 -0.005 0.000 0.226 562 D C 0.342 176.642 176.300 -0.000 0.000 1.020 562 D CA 0.397 54.399 54.000 0.004 0.000 0.892 562 D CB 0.002 40.806 40.800 0.006 0.000 0.900 562 D HN 0.325 nan 8.370 nan 0.000 0.531 563 R N 0.244 120.742 120.500 -0.003 0.000 2.590 563 R HA 0.102 4.439 4.340 -0.005 0.000 0.274 563 R C 0.130 176.415 176.300 -0.025 0.000 1.061 563 R CA -0.416 55.676 56.100 -0.013 0.000 1.081 563 R CB 0.393 30.687 30.300 -0.010 0.000 0.984 563 R HN -0.046 nan 8.270 nan 0.000 0.448 564 V N 3.401 123.287 119.914 -0.047 0.000 2.686 564 V HA 0.256 4.373 4.120 -0.005 0.000 0.295 564 V C -2.006 174.025 176.094 -0.105 0.000 1.055 564 V CA -1.799 60.457 62.300 -0.073 0.000 1.050 564 V CB 0.824 32.602 31.823 -0.074 0.000 0.984 564 V HN 0.581 nan 8.190 nan 0.000 0.482 565 P HA 0.223 nan 4.420 nan 0.000 0.264 565 P C -0.843 176.364 177.300 -0.155 0.000 1.183 565 P CA 0.370 63.420 63.100 -0.084 0.000 0.763 565 P CB 0.249 31.918 31.700 -0.052 0.000 0.807 566 R N 1.620 122.037 120.500 -0.139 0.000 2.744 566 R HA 0.605 4.942 4.340 -0.005 0.000 0.279 566 R C -1.434 174.746 176.300 -0.200 0.000 0.977 566 R CA -1.011 54.931 56.100 -0.263 0.000 0.906 566 R CB 2.168 32.252 30.300 -0.360 0.000 1.197 566 R HN 0.173 nan 8.270 nan 0.000 0.463 567 V N 3.747 123.489 119.914 -0.287 0.000 2.376 567 V HA 0.373 4.490 4.120 -0.005 0.000 0.287 567 V C -0.737 175.089 176.094 -0.446 0.000 1.015 567 V CA -0.687 61.445 62.300 -0.280 0.000 0.834 567 V CB 1.104 32.682 31.823 -0.409 0.000 1.001 567 V HN 0.521 nan 8.190 nan 0.000 0.428 568 F N 5.610 125.436 119.950 -0.207 0.000 2.424 568 F HA 0.546 5.070 4.527 -0.005 0.000 0.356 568 F C 0.111 175.729 175.800 -0.303 0.000 1.110 568 F CA -0.206 57.630 58.000 -0.272 0.000 1.161 568 F CB 0.911 39.780 39.000 -0.219 0.000 1.115 568 F HN 0.242 nan 8.300 nan 0.000 0.507 569 L N 4.519 125.571 121.223 -0.286 0.000 2.329 569 L HA 0.551 4.889 4.340 -0.005 0.000 0.279 569 L C -0.890 175.708 176.870 -0.453 0.000 1.014 569 L CA -0.422 54.274 54.840 -0.240 0.000 0.814 569 L CB 1.243 43.178 42.059 -0.206 0.000 1.257 569 L HN 0.382 nan 8.230 nan 0.000 0.424 570 F N 0.445 120.269 119.950 -0.210 0.000 2.532 570 F HA 0.782 5.306 4.527 -0.005 0.000 0.321 570 F C 0.618 176.269 175.800 -0.249 0.000 1.089 570 F CA -0.745 56.998 58.000 -0.427 0.000 0.926 570 F CB 2.323 40.675 39.000 -1.081 0.000 1.168 570 F HN 0.392 nan 8.300 nan 0.000 0.459 571 G N 1.094 109.819 108.800 -0.125 0.000 2.666 571 G HA2 0.760 4.718 3.960 -0.005 0.000 0.303 571 G HA3 0.760 4.718 3.960 -0.005 0.000 0.303 571 G C -1.859 172.959 174.900 -0.136 0.000 1.412 571 G CA -0.884 44.169 45.100 -0.079 0.000 0.979 571 G HN 0.976 nan 8.290 nan 0.000 0.507 572 A N 2.367 125.395 122.820 0.347 0.000 2.572 572 A HA 0.686 5.003 4.320 -0.005 0.000 0.303 572 A C -0.805 177.027 177.584 0.413 0.000 1.059 572 A CA -0.813 51.411 52.037 0.312 0.000 0.788 572 A CB 1.208 20.347 19.000 0.231 0.000 1.282 572 A HN 0.603 nan 8.150 nan 0.000 0.397 573 K N 0.801 121.371 120.400 0.284 0.000 2.156 573 K HA 0.779 5.096 4.320 -0.005 0.000 0.250 573 K C -0.131 176.628 176.600 0.265 0.000 0.955 573 K CA -0.445 56.002 56.287 0.268 0.000 0.855 573 K CB 2.375 34.895 32.500 0.033 0.000 1.101 573 K HN 0.959 nan 8.250 nan 0.000 0.434 574 A N 1.418 124.439 122.820 0.334 0.000 2.304 574 A HA 0.607 4.924 4.320 -0.005 0.000 0.323 574 A C -0.259 177.521 177.584 0.328 0.000 1.195 574 A CA -0.683 51.480 52.037 0.210 0.000 0.826 574 A CB 0.864 19.896 19.000 0.053 0.000 1.184 574 A HN 0.797 nan 8.150 nan 0.000 0.496 575 A N 4.424 127.416 122.820 0.288 0.000 2.587 575 A HA 0.374 4.691 4.320 -0.005 0.000 0.235 575 A C -0.961 176.703 177.584 0.134 0.000 1.044 575 A CA -0.193 52.004 52.037 0.267 0.000 0.754 575 A CB -0.187 18.922 19.000 0.182 0.000 0.968 575 A HN 0.662 nan 8.150 nan 0.000 0.509 576 P HA -0.095 nan 4.420 nan 0.000 0.221 576 P C 1.350 178.559 177.300 -0.152 0.000 1.150 576 P CA 1.751 64.777 63.100 -0.122 0.000 0.800 576 P CB -0.032 31.583 31.700 -0.142 0.000 0.787 577 G N -1.913 106.793 108.800 -0.157 0.000 2.744 577 G HA2 -0.189 3.768 3.960 -0.005 0.000 0.211 577 G HA3 -0.189 3.768 3.960 -0.005 0.000 0.211 577 G C 0.216 174.772 174.900 -0.574 0.000 1.143 577 G CA 0.010 44.893 45.100 -0.362 0.000 0.788 577 G HN 0.195 nan 8.290 nan 0.000 0.534 578 Y N 2.055 122.096 120.300 -0.432 0.000 2.724 578 Y HA 0.411 4.958 4.550 -0.005 0.000 0.332 578 Y C 0.609 176.356 175.900 -0.254 0.000 1.276 578 Y CA -2.549 55.355 58.100 -0.325 0.000 1.597 578 Y CB -0.507 37.832 38.460 -0.201 0.000 1.584 578 Y HN 0.202 nan 8.280 nan 0.000 0.478 579 Y N 1.825 122.244 120.300 0.198 0.000 2.181 579 Y HA -0.258 4.289 4.550 -0.005 0.000 0.288 579 Y C 2.142 178.061 175.900 0.032 0.000 1.146 579 Y CA 1.323 59.469 58.100 0.077 0.000 1.164 579 Y CB -0.821 37.678 38.460 0.065 0.000 0.982 579 Y HN 0.483 nan 8.280 nan 0.000 0.515 580 L N 0.635 121.984 121.223 0.210 0.000 2.012 580 L HA -0.139 4.198 4.340 -0.005 0.000 0.210 580 L C 2.344 179.090 176.870 -0.206 0.000 1.073 580 L CA 2.036 56.908 54.840 0.053 0.000 0.748 580 L CB -1.249 40.889 42.059 0.133 0.000 0.891 580 L HN 0.134 nan 8.230 nan 0.000 0.431 581 A N -0.626 121.838 122.820 -0.594 0.000 1.940 581 A HA -0.241 4.076 4.320 -0.005 0.000 0.219 581 A C 2.330 179.747 177.584 -0.277 0.000 1.176 581 A CA 2.026 53.648 52.037 -0.692 0.000 0.631 581 A CB -0.545 17.721 19.000 -1.223 0.000 0.814 581 A HN 0.565 nan 8.150 nan 0.000 0.446 582 K N -0.481 119.836 120.400 -0.140 0.000 2.155 582 K HA -0.089 4.228 4.320 -0.005 0.000 0.203 582 K C 1.948 178.574 176.600 0.044 0.000 1.052 582 K CA 1.075 57.351 56.287 -0.018 0.000 0.948 582 K CB -0.206 32.309 32.500 0.026 0.000 0.728 582 K HN 0.590 nan 8.250 nan 0.000 0.448 583 N N 1.108 119.847 118.700 0.064 0.000 2.270 583 N HA -0.102 4.635 4.740 -0.005 0.000 0.181 583 N C 1.733 177.315 175.510 0.120 0.000 1.016 583 N CA 0.694 53.852 53.050 0.181 0.000 0.870 583 N CB 0.130 38.725 38.487 0.180 0.000 0.979 583 N HN 0.122 nan 8.380 nan 0.000 0.431 584 I N 1.044 121.587 120.570 -0.045 0.000 2.252 584 I HA -0.229 3.939 4.170 -0.005 0.000 0.245 584 I C 2.194 178.247 176.117 -0.106 0.000 1.102 584 I CA 0.710 61.928 61.300 -0.136 0.000 1.385 584 I CB -0.117 37.735 38.000 -0.246 0.000 1.064 584 I HN 0.116 nan 8.210 nan 0.000 0.414 585 I N 0.095 120.649 120.570 -0.027 0.000 2.194 585 I HA -0.360 3.807 4.170 -0.005 0.000 0.246 585 I C 2.526 178.624 176.117 -0.031 0.000 1.093 585 I CA 1.525 62.837 61.300 0.020 0.000 1.355 585 I CB -0.445 37.558 38.000 0.004 0.000 1.046 585 I HN 0.212 nan 8.210 nan 0.000 0.413 586 F N 2.004 121.884 119.950 -0.117 0.000 2.069 586 F HA -0.256 4.268 4.527 -0.005 0.000 0.298 586 F C 2.512 178.260 175.800 -0.085 0.000 1.113 586 F CA 1.373 59.345 58.000 -0.046 0.000 1.214 586 F CB -0.942 38.122 39.000 0.106 0.000 0.978 586 F HN 0.036 nan 8.300 nan 0.000 0.474 587 A N 0.830 123.453 122.820 -0.330 0.000 1.892 587 A HA -0.218 4.099 4.320 -0.005 0.000 0.218 587 A C 2.423 179.621 177.584 -0.643 0.000 1.188 587 A CA 2.293 53.754 52.037 -0.961 0.000 0.631 587 A CB -1.365 17.064 19.000 -0.952 0.000 0.822 587 A HN 0.500 nan 8.150 nan 0.000 0.447 588 I N -0.173 120.136 120.570 -0.435 0.000 2.179 588 I HA -0.270 3.897 4.170 -0.005 0.000 0.242 588 I C 2.231 178.159 176.117 -0.315 0.000 1.088 588 I CA 1.331 62.374 61.300 -0.428 0.000 1.357 588 I CB -0.437 37.233 38.000 -0.550 0.000 1.051 588 I HN 0.310 nan 8.210 nan 0.000 0.409 589 N N 0.624 119.176 118.700 -0.246 0.000 2.188 589 N HA -0.134 4.603 4.740 -0.005 0.000 0.184 589 N C 1.815 177.230 175.510 -0.157 0.000 1.018 589 N CA 1.053 53.976 53.050 -0.212 0.000 0.858 589 N CB -0.107 38.196 38.487 -0.307 0.000 0.989 589 N HN 0.204 nan 8.380 nan 0.000 0.426 590 K N 0.700 120.989 120.400 -0.185 0.000 2.062 590 K HA 0.060 4.378 4.320 -0.005 0.000 0.205 590 K C 2.088 178.605 176.600 -0.137 0.000 1.051 590 K CA 0.335 56.556 56.287 -0.110 0.000 0.941 590 K CB -0.765 31.671 32.500 -0.106 0.000 0.719 590 K HN -0.001 nan 8.250 nan 0.000 0.440 591 V N 1.655 121.347 119.914 -0.368 0.000 2.343 591 V HA -0.228 3.889 4.120 -0.005 0.000 0.247 591 V C 2.412 178.329 176.094 -0.295 0.000 1.051 591 V CA 1.931 63.896 62.300 -0.558 0.000 1.036 591 V CB -0.769 30.592 31.823 -0.771 0.000 0.654 591 V HN 0.270 nan 8.190 nan 0.000 0.451 592 A N -0.308 122.376 122.820 -0.226 0.000 1.940 592 A HA -0.267 4.050 4.320 -0.005 0.000 0.219 592 A C 1.999 179.525 177.584 -0.098 0.000 1.176 592 A CA 2.050 53.999 52.037 -0.147 0.000 0.631 592 A CB -0.601 18.349 19.000 -0.084 0.000 0.814 592 A HN 0.538 nan 8.150 nan 0.000 0.446 593 D N -0.418 119.947 120.400 -0.059 0.000 2.144 593 D HA -0.091 4.547 4.640 -0.005 0.000 0.199 593 D C 2.091 178.391 176.300 0.002 0.000 0.984 593 D CA 1.332 55.323 54.000 -0.014 0.000 0.834 593 D CB -0.298 40.512 40.800 0.015 0.000 0.955 593 D HN 0.226 nan 8.370 nan 0.000 0.465 594 V N 1.124 121.059 119.914 0.035 0.000 2.244 594 V HA -0.199 3.918 4.120 -0.005 0.000 0.244 594 V C 2.589 178.654 176.094 -0.049 0.000 1.042 594 V CA 1.074 63.423 62.300 0.083 0.000 1.006 594 V CB -0.369 31.636 31.823 0.303 0.000 0.641 594 V HN 0.157 nan 8.190 nan 0.000 0.446 595 I N 0.723 121.147 120.570 -0.243 0.000 2.194 595 I HA -0.294 3.873 4.170 -0.005 0.000 0.246 595 I C 2.249 178.221 176.117 -0.241 0.000 1.093 595 I CA 1.694 62.685 61.300 -0.515 0.000 1.355 595 I CB -0.494 37.140 38.000 -0.611 0.000 1.046 595 I HN 0.380 nan 8.210 nan 0.000 0.413 596 N N 0.689 119.306 118.700 -0.138 0.000 2.396 596 N HA -0.089 4.648 4.740 -0.005 0.000 0.180 596 N C 0.992 176.478 175.510 -0.040 0.000 1.028 596 N CA 0.906 53.912 53.050 -0.074 0.000 0.893 596 N CB -0.227 38.233 38.487 -0.045 0.000 0.967 596 N HN 0.424 nan 8.380 nan 0.000 0.440 597 N N 0.223 118.905 118.700 -0.029 0.000 2.187 597 N HA -0.030 4.707 4.740 -0.005 0.000 0.212 597 N C -0.652 174.867 175.510 0.016 0.000 1.152 597 N CA -0.054 52.996 53.050 -0.001 0.000 0.872 597 N CB 0.793 39.286 38.487 0.009 0.000 1.025 597 N HN 0.117 nan 8.380 nan 0.000 0.514 598 D N 2.536 122.946 120.400 0.017 0.000 2.365 598 D HA 0.120 4.757 4.640 -0.005 0.000 0.237 598 D C -1.344 174.988 176.300 0.053 0.000 1.190 598 D CA -1.888 52.151 54.000 0.065 0.000 0.867 598 D CB 1.741 42.626 40.800 0.141 0.000 1.050 598 D HN 0.041 nan 8.370 nan 0.000 0.491 599 P HA -0.166 nan 4.420 nan 0.000 0.219 599 P C 1.626 178.950 177.300 0.041 0.000 1.146 599 P CA 0.267 63.388 63.100 0.035 0.000 0.808 599 P CB 0.424 32.141 31.700 0.028 0.000 0.779 600 L N -0.575 120.683 121.223 0.058 0.000 2.191 600 L HA -0.092 4.245 4.340 -0.005 0.000 0.212 600 L C 2.188 179.100 176.870 0.071 0.000 1.103 600 L CA 1.501 56.377 54.840 0.061 0.000 0.769 600 L CB -0.844 41.257 42.059 0.069 0.000 0.908 600 L HN -0.219 nan 8.230 nan 0.000 0.438 601 V N -0.672 119.292 119.914 0.084 0.000 2.283 601 V HA 0.246 4.363 4.120 -0.005 0.000 0.239 601 V C 2.030 178.144 176.094 0.032 0.000 1.035 601 V CA 0.966 63.308 62.300 0.070 0.000 1.018 601 V CB -1.331 30.520 31.823 0.047 0.000 0.658 601 V HN 0.623 nan 8.190 nan 0.000 0.459 602 G N 0.681 109.493 108.800 0.019 0.000 2.622 602 G HA2 -0.380 3.577 3.960 -0.005 0.000 0.307 602 G HA3 -0.380 3.577 3.960 -0.005 0.000 0.307 602 G C 0.389 175.292 174.900 0.005 0.000 1.226 602 G CA 0.673 45.780 45.100 0.011 0.000 0.997 602 G HN 0.421 nan 8.290 nan 0.000 0.551 603 D N 0.959 121.363 120.400 0.008 0.000 2.319 603 D HA 0.185 4.822 4.640 -0.005 0.000 0.230 603 D C 2.160 178.462 176.300 0.002 0.000 1.094 603 D CA 0.345 54.349 54.000 0.006 0.000 0.856 603 D CB 0.183 40.990 40.800 0.011 0.000 0.915 603 D HN 0.501 nan 8.370 nan 0.000 0.517 604 K N -0.449 119.954 120.400 0.005 0.000 2.228 604 K HA 0.041 4.358 4.320 -0.005 0.000 0.202 604 K C 0.228 176.830 176.600 0.003 0.000 1.051 604 K CA 0.427 56.717 56.287 0.005 0.000 0.960 604 K CB 0.723 33.236 32.500 0.021 0.000 0.743 604 K HN -0.029 nan 8.250 nan 0.000 0.458 605 L N 0.608 121.832 121.223 0.002 0.000 2.588 605 L HA 0.308 4.645 4.340 -0.005 0.000 0.263 605 L C -1.917 174.943 176.870 -0.017 0.000 0.935 605 L CA -0.389 54.458 54.840 0.012 0.000 0.891 605 L CB 1.707 43.773 42.059 0.010 0.000 1.318 605 L HN -0.232 nan 8.230 nan 0.000 0.409 606 K N 3.621 124.023 120.400 0.004 0.000 2.482 606 K HA 0.814 5.131 4.320 -0.005 0.000 0.257 606 K C -1.648 174.974 176.600 0.038 0.000 0.969 606 K CA -0.796 55.482 56.287 -0.015 0.000 0.842 606 K CB 2.888 35.365 32.500 -0.037 0.000 1.359 606 K HN 0.321 nan 8.250 nan 0.000 0.441 607 V N 1.706 121.633 119.914 0.023 0.000 2.443 607 V HA 0.338 4.455 4.120 -0.005 0.000 0.293 607 V C -0.740 175.404 176.094 0.084 0.000 1.021 607 V CA -0.926 61.429 62.300 0.090 0.000 0.848 607 V CB 1.862 33.713 31.823 0.046 0.000 0.998 607 V HN 0.434 nan 8.190 nan 0.000 0.424 608 V N 5.560 125.541 119.914 0.111 0.000 2.407 608 V HA 0.442 4.559 4.120 -0.005 0.000 0.291 608 V C -0.776 175.480 176.094 0.270 0.000 1.018 608 V CA -0.480 61.899 62.300 0.131 0.000 0.842 608 V CB 1.670 33.518 31.823 0.041 0.000 0.996 608 V HN 0.689 nan 8.190 nan 0.000 0.426 609 F N 6.049 126.089 119.950 0.150 0.000 2.313 609 F HA 0.537 5.061 4.527 -0.005 0.000 0.369 609 F C 0.009 175.987 175.800 0.296 0.000 1.109 609 F CA -1.414 56.712 58.000 0.210 0.000 1.132 609 F CB 0.786 39.772 39.000 -0.023 0.000 1.291 609 F HN 0.321 nan 8.300 nan 0.000 0.496 610 L N 8.521 130.103 121.223 0.598 0.000 2.433 610 L HA 0.243 4.580 4.340 -0.005 0.000 0.275 610 L C -1.858 175.281 176.870 0.449 0.000 1.128 610 L CA -1.702 53.389 54.840 0.419 0.000 0.875 610 L CB 0.514 42.779 42.059 0.343 0.000 1.171 610 L HN 0.404 nan 8.230 nan 0.000 0.463 611 P HA 0.026 nan 4.420 nan 0.000 0.275 611 P C -0.355 176.935 177.300 -0.016 0.000 1.228 611 P CA -0.023 62.981 63.100 -0.160 0.000 0.786 611 P CB 0.951 32.360 31.700 -0.485 0.000 0.927 612 D N 0.103 120.484 120.400 -0.033 0.000 2.739 612 D HA -0.230 4.407 4.640 -0.005 0.000 0.240 612 D C -0.732 175.637 176.300 0.114 0.000 1.114 612 D CA 0.427 54.432 54.000 0.009 0.000 0.695 612 D CB -2.134 38.647 40.800 -0.032 0.000 1.078 612 D HN 0.357 nan 8.370 nan 0.000 0.434 613 Y N 0.726 121.078 120.300 0.087 0.000 2.895 613 Y HA 0.199 4.746 4.550 -0.005 0.000 0.334 613 Y C 0.944 176.873 175.900 0.049 0.000 1.261 613 Y CA 0.495 58.663 58.100 0.113 0.000 1.560 613 Y CB 0.073 38.625 38.460 0.154 0.000 1.253 613 Y HN 0.449 nan 8.280 nan 0.000 0.582 614 C N 2.886 121.883 119.300 -0.505 0.000 3.293 614 C HA 0.468 4.925 4.460 -0.005 0.000 0.362 614 C C 1.026 175.742 174.990 -0.456 0.000 1.539 614 C CA -0.427 58.332 59.018 -0.432 0.000 1.201 614 C CB 0.557 28.188 27.740 -0.182 0.000 1.770 614 C HN 0.624 nan 8.230 nan 0.000 0.440 615 V N 1.491 121.271 119.914 -0.222 0.000 2.343 615 V HA -0.152 3.965 4.120 -0.005 0.000 0.247 615 V C 2.670 178.736 176.094 -0.047 0.000 1.051 615 V CA 2.998 65.268 62.300 -0.050 0.000 1.036 615 V CB -0.973 30.842 31.823 -0.013 0.000 0.654 615 V HN 0.952 nan 8.190 nan 0.000 0.451 616 S N 0.015 115.665 115.700 -0.083 0.000 2.382 616 S HA -0.168 4.299 4.470 -0.005 0.000 0.228 616 S C 2.205 176.747 174.600 -0.095 0.000 1.027 616 S CA 1.413 59.565 58.200 -0.082 0.000 0.991 616 S CB -0.456 62.713 63.200 -0.051 0.000 0.823 616 S HN 0.662 nan 8.310 nan 0.000 0.469 617 A N 1.630 124.430 122.820 -0.033 0.000 1.873 617 A HA 0.127 4.444 4.320 -0.005 0.000 0.215 617 A C 2.381 180.023 177.584 0.096 0.000 1.186 617 A CA 1.671 53.739 52.037 0.052 0.000 0.616 617 A CB -1.175 17.995 19.000 0.283 0.000 0.823 617 A HN 0.514 nan 8.150 nan 0.000 0.442 618 A N -0.139 122.766 122.820 0.142 0.000 1.940 618 A HA -0.211 4.106 4.320 -0.005 0.000 0.219 618 A C 1.870 179.638 177.584 0.308 0.000 1.176 618 A CA 1.740 53.966 52.037 0.316 0.000 0.631 618 A CB -0.584 18.614 19.000 0.330 0.000 0.814 618 A HN 0.659 nan 8.150 nan 0.000 0.446 619 E N -0.409 119.912 120.200 0.202 0.000 2.204 619 E HA -0.156 4.192 4.350 -0.005 0.000 0.195 619 E C 1.809 178.416 176.600 0.011 0.000 0.990 619 E CA 1.052 57.511 56.400 0.098 0.000 0.821 619 E CB -0.029 29.615 29.700 -0.092 0.000 0.750 619 E HN 0.555 nan 8.360 nan 0.000 0.477 620 K N 0.146 120.494 120.400 -0.086 0.000 2.166 620 K HA 0.032 4.349 4.320 -0.005 0.000 0.201 620 K C 2.196 178.796 176.600 0.001 0.000 1.052 620 K CA 0.348 56.548 56.287 -0.146 0.000 0.969 620 K CB 0.090 32.288 32.500 -0.503 0.000 0.761 620 K HN 0.120 nan 8.250 nan 0.000 0.459 621 L N 0.964 122.229 121.223 0.070 0.000 2.072 621 L HA -0.097 4.240 4.340 -0.005 0.000 0.205 621 L C 2.406 179.351 176.870 0.124 0.000 1.079 621 L CA 1.026 55.943 54.840 0.128 0.000 0.752 621 L CB -0.320 41.839 42.059 0.166 0.000 0.906 621 L HN 0.059 nan 8.230 nan 0.000 0.436 622 I N -0.256 120.395 120.570 0.135 0.000 2.202 622 I HA -0.182 3.985 4.170 -0.005 0.000 0.242 622 I C -0.435 175.740 176.117 0.097 0.000 1.091 622 I CA 1.252 62.621 61.300 0.116 0.000 1.368 622 I CB -1.160 36.926 38.000 0.145 0.000 1.058 622 I HN 0.196 nan 8.210 nan 0.000 0.410 623 P HA -0.114 nan 4.420 nan 0.000 0.222 623 P C 0.970 178.292 177.300 0.037 0.000 1.147 623 P CA 1.224 64.352 63.100 0.046 0.000 0.790 623 P CB 0.018 31.734 31.700 0.026 0.000 0.780 624 A N -1.052 121.819 122.820 0.084 0.000 2.251 624 A HA 0.443 4.760 4.320 -0.005 0.000 0.209 624 A C 1.191 178.867 177.584 0.155 0.000 1.187 624 A CA 0.131 52.237 52.037 0.115 0.000 0.823 624 A CB -0.762 18.379 19.000 0.236 0.000 0.846 624 A HN 0.199 nan 8.150 nan 0.000 0.486 625 A N 0.031 122.935 122.820 0.140 0.000 2.401 625 A HA 0.450 4.767 4.320 -0.005 0.000 0.259 625 A C 0.397 178.082 177.584 0.167 0.000 1.103 625 A CA -0.155 51.975 52.037 0.154 0.000 0.789 625 A CB 0.308 19.368 19.000 0.099 0.000 1.035 625 A HN 0.291 nan 8.150 nan 0.000 0.491 626 D N 0.647 121.163 120.400 0.192 0.000 2.369 626 D HA 0.105 4.742 4.640 -0.005 0.000 0.231 626 D C 0.188 176.722 176.300 0.391 0.000 0.967 626 D CA 1.022 55.227 54.000 0.343 0.000 0.905 626 D CB 0.215 41.145 40.800 0.217 0.000 1.044 626 D HN 0.362 nan 8.370 nan 0.000 0.487 627 I N 1.145 121.833 120.570 0.197 0.000 2.378 627 I HA 0.125 4.292 4.170 -0.005 0.000 0.291 627 I C 0.053 176.210 176.117 0.067 0.000 0.992 627 I CA -0.480 60.905 61.300 0.142 0.000 1.154 627 I CB 1.596 39.616 38.000 0.033 0.000 1.315 627 I HN -0.231 nan 8.210 nan 0.000 0.448 628 S N 6.591 122.337 115.700 0.076 0.000 2.404 628 S HA 0.251 4.718 4.470 -0.005 0.000 0.309 628 S C -0.038 174.591 174.600 0.048 0.000 1.076 628 S CA -0.590 57.630 58.200 0.034 0.000 1.095 628 S CB 0.155 63.368 63.200 0.021 0.000 0.972 628 S HN 0.383 nan 8.310 nan 0.000 0.484 629 E N 4.071 124.284 120.200 0.021 0.000 2.104 629 E HA 0.137 4.484 4.350 -0.005 0.000 0.278 629 E C -0.349 176.268 176.600 0.028 0.000 1.127 629 E CA -0.066 56.367 56.400 0.054 0.000 0.897 629 E CB 0.639 30.350 29.700 0.019 0.000 1.043 629 E HN 0.607 nan 8.360 nan 0.000 0.410 630 Q N 2.713 122.555 119.800 0.070 0.000 3.122 630 Q HA 0.254 4.591 4.340 -0.005 0.000 0.282 630 Q C 0.582 176.601 176.000 0.032 0.000 0.947 630 Q CA -0.121 55.697 55.803 0.025 0.000 0.812 630 Q CB 0.119 28.859 28.738 0.003 0.000 1.333 630 Q HN 0.593 nan 8.270 nan 0.000 0.430 631 I N -1.932 118.648 120.570 0.017 0.000 3.569 631 I HA 0.291 4.459 4.170 -0.005 0.000 0.334 631 I C 0.305 176.400 176.117 -0.037 0.000 1.570 631 I CA -0.659 60.650 61.300 0.015 0.000 1.082 631 I CB 0.538 38.537 38.000 -0.001 0.000 1.323 631 I HN -0.041 nan 8.210 nan 0.000 0.489 632 S N 0.253 115.940 115.700 -0.021 0.000 2.573 632 S HA 0.205 4.672 4.470 -0.005 0.000 0.277 632 S C 0.578 175.192 174.600 0.024 0.000 1.346 632 S CA -0.300 57.927 58.200 0.045 0.000 1.034 632 S CB 0.341 63.633 63.200 0.154 0.000 0.879 632 S HN 0.374 nan 8.310 nan 0.000 0.528 633 T N 2.649 117.263 114.554 0.100 0.000 2.902 633 T HA 0.367 4.714 4.350 -0.005 0.000 0.301 633 T C 0.714 175.424 174.700 0.017 0.000 1.012 633 T CA 0.246 62.389 62.100 0.071 0.000 1.151 633 T CB 0.023 69.015 68.868 0.208 0.000 0.946 633 T HN 0.960 nan 8.240 nan 0.000 0.542 634 A N 2.634 125.429 122.820 -0.041 0.000 2.546 634 A HA 0.496 4.813 4.320 -0.005 0.000 0.243 634 A C 1.587 179.145 177.584 -0.044 0.000 1.063 634 A CA 0.231 52.235 52.037 -0.056 0.000 0.757 634 A CB -0.734 18.224 19.000 -0.069 0.000 0.991 634 A HN 1.608 nan 8.150 nan 0.000 0.503 635 G N 1.861 110.634 108.800 -0.044 0.000 2.176 635 G HA2 -0.182 3.775 3.960 -0.005 0.000 0.232 635 G HA3 -0.182 3.775 3.960 -0.005 0.000 0.232 635 G C 0.797 175.650 174.900 -0.077 0.000 0.986 635 G CA 0.539 45.609 45.100 -0.050 0.000 0.643 635 G HN 0.655 nan 8.290 nan 0.000 0.522 636 K N -0.099 120.238 120.400 -0.106 0.000 2.387 636 K HA 0.218 4.535 4.320 -0.005 0.000 0.197 636 K C 0.684 176.979 176.600 -0.508 0.000 1.127 636 K CA 0.266 56.373 56.287 -0.300 0.000 0.950 636 K CB 0.381 32.742 32.500 -0.233 0.000 1.017 636 K HN 0.362 nan 8.250 nan 0.000 0.519 637 E N 1.576 121.680 120.200 -0.161 0.000 2.070 637 E HA 0.265 4.612 4.350 -0.005 0.000 0.282 637 E C 0.677 177.212 176.600 -0.108 0.000 1.104 637 E CA -0.085 56.306 56.400 -0.015 0.000 0.876 637 E CB 1.091 30.868 29.700 0.128 0.000 1.055 637 E HN 0.181 nan 8.360 nan 0.000 0.401 638 A N 3.460 126.150 122.820 -0.217 0.000 1.865 638 A HA -0.192 4.126 4.320 -0.005 0.000 0.217 638 A C 1.966 179.438 177.584 -0.187 0.000 1.191 638 A CA 2.202 53.999 52.037 -0.400 0.000 0.623 638 A CB -0.328 18.179 19.000 -0.821 0.000 0.826 638 A HN 0.617 nan 8.150 nan 0.000 0.444 639 S N -3.541 112.097 115.700 -0.103 0.000 3.952 639 S HA 0.470 4.937 4.470 -0.005 0.000 0.211 639 S C 0.685 175.273 174.600 -0.020 0.000 1.098 639 S CA 1.482 59.668 58.200 -0.023 0.000 0.954 639 S CB 0.016 63.227 63.200 0.018 0.000 1.222 639 S HN 2.282 nan 8.310 nan 0.000 0.585 640 G N 0.208 108.999 108.800 -0.016 0.000 2.785 640 G HA2 0.000 3.958 3.960 -0.005 0.000 0.686 640 G HA3 0.000 3.958 3.960 -0.005 0.000 0.686 640 G C 0.214 175.082 174.900 -0.054 0.000 1.155 640 G CA 0.417 45.497 45.100 -0.033 0.000 0.760 640 G HN 1.267 nan 8.290 nan 0.000 0.624 641 T N -1.452 113.053 114.554 -0.082 0.000 2.980 641 T HA 0.371 4.718 4.350 -0.005 0.000 0.252 641 T C 2.445 177.024 174.700 -0.201 0.000 0.962 641 T CA 1.268 63.294 62.100 -0.123 0.000 0.932 641 T CB 0.260 69.058 68.868 -0.116 0.000 1.188 641 T HN 1.856 nan 8.240 nan 0.000 0.500 642 G N 3.505 112.193 108.800 -0.186 0.000 2.469 642 G HA2 -0.322 3.635 3.960 -0.005 0.000 0.219 642 G HA3 -0.322 3.635 3.960 -0.005 0.000 0.219 642 G C 1.585 176.376 174.900 -0.183 0.000 1.150 642 G CA 1.435 46.410 45.100 -0.209 0.000 0.763 642 G HN 0.686 nan 8.290 nan 0.000 0.561 643 N N 1.116 119.721 118.700 -0.157 0.000 2.091 643 N HA -0.205 4.532 4.740 -0.005 0.000 0.193 643 N C 2.028 177.406 175.510 -0.220 0.000 1.021 643 N CA 2.191 55.143 53.050 -0.163 0.000 0.862 643 N CB -0.749 37.642 38.487 -0.160 0.000 1.018 643 N HN 0.445 nan 8.380 nan 0.000 0.429 644 M N 0.225 119.663 119.600 -0.270 0.000 2.099 644 M HA 0.013 4.490 4.480 -0.005 0.000 0.262 644 M C 2.119 178.326 176.300 -0.155 0.000 1.067 644 M CA 1.486 56.613 55.300 -0.288 0.000 1.124 644 M CB -0.235 32.221 32.600 -0.239 0.000 1.353 644 M HN 0.068 nan 8.290 nan 0.000 0.410 645 K N 0.670 120.955 120.400 -0.192 0.000 2.063 645 K HA -0.128 4.189 4.320 -0.005 0.000 0.208 645 K C 1.852 178.409 176.600 -0.071 0.000 1.048 645 K CA 1.262 57.448 56.287 -0.168 0.000 0.928 645 K CB -0.376 31.865 32.500 -0.431 0.000 0.713 645 K HN 0.278 nan 8.250 nan 0.000 0.442 646 L N 0.174 121.343 121.223 -0.089 0.000 2.131 646 L HA -0.088 4.249 4.340 -0.005 0.000 0.206 646 L C 2.512 179.376 176.870 -0.010 0.000 1.087 646 L CA 0.816 55.637 54.840 -0.032 0.000 0.767 646 L CB -0.386 41.651 42.059 -0.037 0.000 0.917 646 L HN 0.195 nan 8.230 nan 0.000 0.441 647 A N 0.178 122.972 122.820 -0.044 0.000 1.855 647 A HA -0.159 4.158 4.320 -0.005 0.000 0.215 647 A C 2.220 179.818 177.584 0.023 0.000 1.191 647 A CA 1.345 53.366 52.037 -0.027 0.000 0.613 647 A CB -0.783 18.167 19.000 -0.084 0.000 0.829 647 A HN 0.312 nan 8.150 nan 0.000 0.442 648 L N 0.056 121.298 121.223 0.031 0.000 2.081 648 L HA -0.208 4.129 4.340 -0.005 0.000 0.212 648 L C 1.630 178.542 176.870 0.069 0.000 1.080 648 L CA 1.243 56.124 54.840 0.069 0.000 0.754 648 L CB -0.467 41.647 42.059 0.093 0.000 0.893 648 L HN 0.427 nan 8.230 nan 0.000 0.433 649 N N -0.124 118.611 118.700 0.057 0.000 2.383 649 N HA 0.033 4.770 4.740 -0.005 0.000 0.192 649 N C 1.112 176.645 175.510 0.039 0.000 1.141 649 N CA 0.941 54.011 53.050 0.034 0.000 0.851 649 N CB 0.795 39.309 38.487 0.044 0.000 0.976 649 N HN 0.451 nan 8.380 nan 0.000 0.465 650 G N 0.250 109.117 108.800 0.111 0.000 2.131 650 G HA2 -0.211 3.746 3.960 -0.005 0.000 0.223 650 G HA3 -0.211 3.746 3.960 -0.005 0.000 0.223 650 G C 0.126 175.127 174.900 0.168 0.000 0.990 650 G CA 0.058 45.281 45.100 0.204 0.000 0.671 650 G HN 0.526 nan 8.290 nan 0.000 0.521 651 A N -0.111 122.778 122.820 0.116 0.000 2.322 651 A HA 0.808 5.125 4.320 -0.005 0.000 0.269 651 A C 0.530 178.148 177.584 0.056 0.000 1.094 651 A CA -0.276 51.841 52.037 0.132 0.000 0.807 651 A CB 0.574 19.637 19.000 0.105 0.000 1.047 651 A HN 0.823 nan 8.150 nan 0.000 0.487 652 L N 1.260 122.514 121.223 0.051 0.000 2.325 652 L HA 0.374 4.711 4.340 -0.005 0.000 0.279 652 L C 0.241 177.190 176.870 0.132 0.000 1.054 652 L CA -0.458 54.379 54.840 -0.005 0.000 0.804 652 L CB 1.541 43.495 42.059 -0.175 0.000 1.200 652 L HN 0.656 nan 8.230 nan 0.000 0.436 653 T N 2.178 116.804 114.554 0.119 0.000 2.780 653 T HA 0.309 4.657 4.350 -0.005 0.000 0.294 653 T C -0.025 174.846 174.700 0.285 0.000 0.949 653 T CA -0.331 61.853 62.100 0.141 0.000 1.074 653 T CB 1.358 70.258 68.868 0.054 0.000 0.910 653 T HN 0.210 nan 8.240 nan 0.000 0.501 654 V N 3.702 123.776 119.914 0.266 0.000 2.318 654 V HA 0.743 4.860 4.120 -0.005 0.000 0.271 654 V C 0.650 177.003 176.094 0.431 0.000 1.030 654 V CA -0.324 62.190 62.300 0.357 0.000 0.844 654 V CB 0.866 32.821 31.823 0.219 0.000 1.015 654 V HN 1.064 nan 8.190 nan 0.000 0.460 655 G N 2.749 111.821 108.800 0.453 0.000 2.704 655 G HA2 0.662 4.619 3.960 -0.005 0.000 0.293 655 G HA3 0.662 4.619 3.960 -0.005 0.000 0.293 655 G C -0.475 174.264 174.900 -0.268 0.000 1.421 655 G CA -0.247 44.949 45.100 0.161 0.000 0.870 655 G HN 0.633 nan 8.290 nan 0.000 0.492 656 T N -1.284 112.991 114.554 -0.466 0.000 2.847 656 T HA 0.524 4.871 4.350 -0.005 0.000 0.279 656 T C 0.561 175.105 174.700 -0.260 0.000 0.984 656 T CA -0.695 61.068 62.100 -0.561 0.000 0.988 656 T CB 1.298 69.871 68.868 -0.492 0.000 1.040 656 T HN 0.339 nan 8.240 nan 0.000 0.528 657 L N 1.979 123.075 121.223 -0.212 0.000 2.384 657 L HA 0.343 4.680 4.340 -0.005 0.000 0.258 657 L C -0.194 176.624 176.870 -0.087 0.000 1.266 657 L CA 0.065 54.836 54.840 -0.116 0.000 1.162 657 L CB -0.748 41.257 42.059 -0.090 0.000 1.375 657 L HN 0.735 nan 8.230 nan 0.000 0.420 658 D N 0.568 120.922 120.400 -0.076 0.000 2.753 658 D HA 0.555 5.192 4.640 -0.005 0.000 0.224 658 D C 0.466 176.747 176.300 -0.031 0.000 1.213 658 D CA 0.730 54.699 54.000 -0.051 0.000 0.833 658 D CB 2.092 42.857 40.800 -0.058 0.000 1.607 658 D HN 0.355 nan 8.370 nan 0.000 0.463 659 G N 1.733 110.526 108.800 -0.012 0.000 2.614 659 G HA2 -0.217 3.740 3.960 -0.005 0.000 0.303 659 G HA3 -0.217 3.740 3.960 -0.005 0.000 0.303 659 G C 0.994 175.901 174.900 0.012 0.000 1.270 659 G CA 1.146 46.245 45.100 -0.001 0.000 0.988 659 G HN 1.150 nan 8.290 nan 0.000 0.551 660 A N -0.284 122.537 122.820 0.002 0.000 2.208 660 A HA 0.175 4.492 4.320 -0.005 0.000 0.209 660 A C 2.053 179.610 177.584 -0.045 0.000 1.161 660 A CA 1.579 53.627 52.037 0.018 0.000 0.782 660 A CB -0.367 18.635 19.000 0.004 0.000 0.816 660 A HN 0.599 nan 8.150 nan 0.000 0.477 661 N N 0.441 119.103 118.700 -0.064 0.000 2.192 661 N HA -0.170 4.567 4.740 -0.005 0.000 0.188 661 N C 1.777 177.267 175.510 -0.034 0.000 1.013 661 N CA 1.617 54.623 53.050 -0.072 0.000 0.863 661 N CB -0.627 37.819 38.487 -0.067 0.000 0.990 661 N HN 0.492 nan 8.380 nan 0.000 0.430 662 V N 0.220 120.130 119.914 -0.008 0.000 2.453 662 V HA -0.097 4.020 4.120 -0.005 0.000 0.247 662 V C 1.724 177.849 176.094 0.052 0.000 1.048 662 V CA 1.570 63.875 62.300 0.009 0.000 1.049 662 V CB -0.273 31.551 31.823 0.002 0.000 0.672 662 V HN 0.160 nan 8.190 nan 0.000 0.457 663 E N 0.111 120.376 120.200 0.108 0.000 2.152 663 E HA -0.045 4.302 4.350 -0.005 0.000 0.192 663 E C 2.143 178.940 176.600 0.329 0.000 0.983 663 E CA 1.560 58.091 56.400 0.218 0.000 0.818 663 E CB -0.169 29.719 29.700 0.313 0.000 0.758 663 E HN 0.685 nan 8.360 nan 0.000 0.467 664 I N 1.081 121.763 120.570 0.187 0.000 2.202 664 I HA -0.269 3.898 4.170 -0.005 0.000 0.242 664 I C 2.556 178.709 176.117 0.061 0.000 1.091 664 I CA 0.942 62.282 61.300 0.066 0.000 1.368 664 I CB -0.333 37.537 38.000 -0.217 0.000 1.058 664 I HN 0.094 nan 8.210 nan 0.000 0.410 665 A N 0.336 123.165 122.820 0.016 0.000 1.883 665 A HA -0.303 4.014 4.320 -0.005 0.000 0.217 665 A C 2.331 179.920 177.584 0.009 0.000 1.186 665 A CA 2.146 54.180 52.037 -0.006 0.000 0.624 665 A CB -0.784 18.204 19.000 -0.019 0.000 0.822 665 A HN 0.520 nan 8.150 nan 0.000 0.444 666 E N -0.634 119.585 120.200 0.032 0.000 2.118 666 E HA -0.242 4.105 4.350 -0.005 0.000 0.195 666 E C 1.799 178.416 176.600 0.029 0.000 0.992 666 E CA 1.324 57.739 56.400 0.025 0.000 0.804 666 E CB -0.031 29.689 29.700 0.033 0.000 0.741 666 E HN 0.336 nan 8.360 nan 0.000 0.458 667 K N 0.162 120.604 120.400 0.069 0.000 2.062 667 K HA -0.077 4.240 4.320 -0.005 0.000 0.205 667 K C 2.254 178.875 176.600 0.036 0.000 1.051 667 K CA 1.313 57.639 56.287 0.065 0.000 0.941 667 K CB -0.334 32.256 32.500 0.150 0.000 0.719 667 K HN 0.290 nan 8.250 nan 0.000 0.440 668 V N -2.767 117.165 119.914 0.030 0.000 2.878 668 V HA 0.296 4.413 4.120 -0.005 0.000 0.250 668 V C 0.783 176.850 176.094 -0.044 0.000 1.075 668 V CA 0.653 62.948 62.300 -0.010 0.000 1.096 668 V CB -0.615 31.193 31.823 -0.026 0.000 0.724 668 V HN 0.315 nan 8.190 nan 0.000 0.467 669 G N 1.395 110.169 108.800 -0.042 0.000 2.784 669 G HA2 -0.134 3.824 3.960 -0.005 0.000 0.686 669 G HA3 -0.134 3.824 3.960 -0.005 0.000 0.686 669 G C 0.149 174.998 174.900 -0.085 0.000 1.156 669 G CA 0.185 45.250 45.100 -0.058 0.000 0.757 669 G HN 0.857 nan 8.290 nan 0.000 0.642 670 E N 0.334 120.488 120.200 -0.077 0.000 2.209 670 E HA -0.203 4.144 4.350 -0.005 0.000 0.196 670 E C 1.881 178.396 176.600 -0.143 0.000 0.993 670 E CA 1.743 58.087 56.400 -0.094 0.000 0.819 670 E CB -0.065 29.597 29.700 -0.063 0.000 0.745 670 E HN 0.688 nan 8.360 nan 0.000 0.477 671 E N 0.797 120.915 120.200 -0.137 0.000 2.347 671 E HA -0.134 4.213 4.350 -0.005 0.000 0.196 671 E C 0.592 177.041 176.600 -0.252 0.000 1.008 671 E CA 0.565 56.866 56.400 -0.166 0.000 0.852 671 E CB -0.186 29.446 29.700 -0.113 0.000 0.783 671 E HN 0.320 nan 8.360 nan 0.000 0.505 672 N N 0.552 119.102 118.700 -0.250 0.000 2.275 672 N HA 0.299 5.036 4.740 -0.005 0.000 0.236 672 N C -0.232 175.071 175.510 -0.344 0.000 1.154 672 N CA -0.012 52.865 53.050 -0.289 0.000 0.866 672 N CB 1.441 39.812 38.487 -0.193 0.000 1.093 672 N HN 0.256 nan 8.380 nan 0.000 0.515 673 I N -0.980 119.331 120.570 -0.432 0.000 3.004 673 I HA 0.361 4.529 4.170 -0.005 0.000 0.305 673 I C -1.475 174.327 176.117 -0.526 0.000 1.312 673 I CA -0.844 60.233 61.300 -0.372 0.000 0.992 673 I CB 1.845 39.754 38.000 -0.151 0.000 1.282 673 I HN -0.266 nan 8.210 nan 0.000 0.449 674 F N 6.862 126.822 119.950 0.017 0.000 2.334 674 F HA 0.427 4.951 4.527 -0.005 0.000 0.343 674 F C -0.072 175.819 175.800 0.152 0.000 1.136 674 F CA -0.556 57.487 58.000 0.071 0.000 1.237 674 F CB 0.403 39.446 39.000 0.072 0.000 1.525 674 F HN 0.030 nan 8.300 nan 0.000 0.528 675 I N 3.454 124.137 120.570 0.189 0.000 2.474 675 I HA 0.280 4.448 4.170 -0.005 0.000 0.287 675 I C -0.016 176.237 176.117 0.226 0.000 1.048 675 I CA -0.520 60.865 61.300 0.142 0.000 1.383 675 I CB 0.326 38.336 38.000 0.016 0.000 1.412 675 I HN 0.346 nan 8.210 nan 0.000 0.531 676 F N 2.720 122.696 119.950 0.044 0.000 2.715 676 F HA 0.879 5.404 4.527 -0.003 0.000 0.318 676 F C 0.094 175.886 175.800 -0.015 0.000 1.141 676 F CA -0.473 57.542 58.000 0.025 0.000 0.950 676 F CB 1.124 40.163 39.000 0.065 0.000 1.374 676 F HN 0.797 nan 8.300 nan 0.000 0.477 677 G N 0.423 109.249 108.800 0.042 0.000 2.760 677 G HA2 -0.039 3.918 3.960 -0.005 0.000 0.246 677 G HA3 -0.039 3.918 3.960 -0.005 0.000 0.246 677 G C -1.319 173.441 174.900 -0.233 0.000 1.359 677 G CA -0.575 44.463 45.100 -0.102 0.000 0.861 677 G HN 1.176 nan 8.290 nan 0.000 0.541 678 H N 0.717 119.743 119.070 -0.073 0.000 2.732 678 H HA 0.423 4.976 4.556 -0.005 0.000 0.351 678 H C 1.404 176.670 175.328 -0.103 0.000 1.090 678 H CA 0.794 56.798 56.048 -0.074 0.000 1.431 678 H CB 0.752 30.453 29.762 -0.101 0.000 1.447 678 H HN 0.909 nan 8.280 nan 0.000 0.582 679 T N -1.589 112.985 114.554 0.034 0.000 2.754 679 T HA 0.089 4.436 4.350 -0.005 0.000 0.286 679 T C 1.798 176.488 174.700 -0.016 0.000 0.997 679 T CA -0.769 61.322 62.100 -0.014 0.000 0.982 679 T CB 0.491 69.353 68.868 -0.010 0.000 1.027 679 T HN 0.267 nan 8.240 nan 0.000 0.529 680 V N 1.415 121.308 119.914 -0.034 0.000 2.287 680 V HA -0.165 3.952 4.120 -0.005 0.000 0.248 680 V C 2.795 178.863 176.094 -0.043 0.000 1.053 680 V CA 2.284 64.558 62.300 -0.043 0.000 1.027 680 V CB -1.203 30.594 31.823 -0.043 0.000 0.646 680 V HN 0.884 nan 8.190 nan 0.000 0.447 681 E N 0.030 120.213 120.200 -0.029 0.000 2.058 681 E HA -0.251 4.096 4.350 -0.005 0.000 0.194 681 E C 2.291 178.877 176.600 -0.022 0.000 0.997 681 E CA 1.483 57.867 56.400 -0.026 0.000 0.801 681 E CB -0.303 29.388 29.700 -0.015 0.000 0.746 681 E HN 0.672 nan 8.360 nan 0.000 0.450 682 Q N -0.106 119.694 119.800 0.000 0.000 2.172 682 Q HA -0.069 4.269 4.340 -0.005 0.000 0.200 682 Q C 2.231 178.178 176.000 -0.088 0.000 0.964 682 Q CA 0.994 56.805 55.803 0.014 0.000 0.855 682 Q CB 0.093 28.914 28.738 0.139 0.000 0.918 682 Q HN 0.142 nan 8.270 nan 0.000 0.444 683 V N 1.299 121.151 119.914 -0.103 0.000 2.261 683 V HA -0.282 3.835 4.120 -0.005 0.000 0.246 683 V C 2.046 178.033 176.094 -0.179 0.000 1.047 683 V CA 1.830 64.009 62.300 -0.201 0.000 1.015 683 V CB -0.438 31.293 31.823 -0.153 0.000 0.642 683 V HN 0.285 nan 8.190 nan 0.000 0.446 684 K N 0.163 120.494 120.400 -0.115 0.000 2.074 684 K HA -0.220 4.097 4.320 -0.005 0.000 0.209 684 K C 2.267 178.821 176.600 -0.076 0.000 1.048 684 K CA 1.702 57.934 56.287 -0.092 0.000 0.926 684 K CB -0.460 31.998 32.500 -0.070 0.000 0.713 684 K HN 0.496 nan 8.250 nan 0.000 0.444 685 A N 1.011 123.793 122.820 -0.063 0.000 1.898 685 A HA -0.129 4.188 4.320 -0.005 0.000 0.216 685 A C 2.110 179.672 177.584 -0.036 0.000 1.181 685 A CA 1.219 53.234 52.037 -0.036 0.000 0.620 685 A CB -0.450 18.541 19.000 -0.014 0.000 0.819 685 A HN 0.196 nan 8.150 nan 0.000 0.442 686 I N -0.413 120.105 120.570 -0.087 0.000 2.315 686 I HA -0.232 3.936 4.170 -0.005 0.000 0.248 686 I C 2.282 178.372 176.117 -0.045 0.000 1.117 686 I CA 0.986 62.235 61.300 -0.086 0.000 1.404 686 I CB -0.108 37.721 38.000 -0.285 0.000 1.071 686 I HN 0.296 nan 8.210 nan 0.000 0.419 687 L N -0.104 121.061 121.223 -0.097 0.000 2.109 687 L HA -0.139 4.199 4.340 -0.005 0.000 0.207 687 L C 2.680 179.550 176.870 0.000 0.000 1.086 687 L CA 1.182 55.999 54.840 -0.037 0.000 0.760 687 L CB -0.658 41.350 42.059 -0.085 0.000 0.910 687 L HN 0.204 nan 8.230 nan 0.000 0.437 688 A N -0.239 122.571 122.820 -0.016 0.000 1.968 688 A HA -0.183 4.134 4.320 -0.005 0.000 0.217 688 A C 2.390 179.980 177.584 0.012 0.000 1.169 688 A CA 1.334 53.366 52.037 -0.008 0.000 0.638 688 A CB -0.331 18.658 19.000 -0.019 0.000 0.812 688 A HN 0.265 nan 8.150 nan 0.000 0.446 689 K N -0.247 120.168 120.400 0.026 0.000 2.296 689 K HA 0.089 4.407 4.320 -0.005 0.000 0.200 689 K C 0.406 177.043 176.600 0.062 0.000 1.048 689 K CA 1.014 57.326 56.287 0.043 0.000 0.966 689 K CB -0.321 32.212 32.500 0.054 0.000 0.754 689 K HN 0.901 nan 8.250 nan 0.000 0.466 690 G N 1.656 110.503 108.800 0.079 0.000 2.721 690 G HA2 -0.226 3.731 3.960 -0.005 0.000 0.462 690 G HA3 -0.226 3.731 3.960 -0.005 0.000 0.462 690 G C -1.164 173.837 174.900 0.169 0.000 1.062 690 G CA -0.308 44.849 45.100 0.096 0.000 1.233 690 G HN 0.303 nan 8.290 nan 0.000 0.545 691 Y N 2.296 122.613 120.300 0.029 0.000 2.335 691 Y HA 0.572 5.120 4.550 -0.005 0.000 0.331 691 Y C -0.079 175.869 175.900 0.079 0.000 1.094 691 Y CA -1.061 57.072 58.100 0.054 0.000 1.253 691 Y CB 1.747 40.189 38.460 -0.029 0.000 1.203 691 Y HN 0.392 nan 8.280 nan 0.000 0.508 692 D N 9.063 129.359 120.400 -0.173 0.000 2.438 692 D HA 0.301 4.938 4.640 -0.005 0.000 0.257 692 D C -2.051 174.051 176.300 -0.330 0.000 1.148 692 D CA -2.523 51.342 54.000 -0.225 0.000 0.902 692 D CB 1.423 42.217 40.800 -0.011 0.000 1.062 692 D HN 0.343 nan 8.370 nan 0.000 0.518 693 P HA -0.147 nan 4.420 nan 0.000 0.218 693 P C 1.481 178.766 177.300 -0.025 0.000 1.148 693 P CA 0.504 63.352 63.100 -0.419 0.000 0.822 693 P CB 0.538 32.033 31.700 -0.342 0.000 0.784 694 V N 0.981 120.875 119.914 -0.033 0.000 2.427 694 V HA -0.197 3.921 4.120 -0.005 0.000 0.248 694 V C 2.836 178.965 176.094 0.058 0.000 1.051 694 V CA 1.781 64.094 62.300 0.022 0.000 1.048 694 V CB -1.227 30.599 31.823 0.006 0.000 0.666 694 V HN 0.139 nan 8.190 nan 0.000 0.456 695 K N -0.911 119.526 120.400 0.061 0.000 2.032 695 K HA -0.245 4.072 4.320 -0.005 0.000 0.209 695 K C 1.993 178.631 176.600 0.063 0.000 1.048 695 K CA 2.180 58.490 56.287 0.038 0.000 0.927 695 K CB -0.277 32.225 32.500 0.004 0.000 0.712 695 K HN 0.508 nan 8.250 nan 0.000 0.441 696 W N 1.211 122.523 121.300 0.020 0.000 2.363 696 W HA -0.102 4.554 4.660 -0.007 0.000 0.296 696 W C 2.501 179.056 176.519 0.060 0.000 1.212 696 W CA 1.508 58.901 57.345 0.081 0.000 1.260 696 W CB -0.163 29.390 29.460 0.154 0.000 1.131 696 W HN 0.179 nan 8.180 nan 0.000 0.530 697 R N 0.696 121.343 120.500 0.244 0.000 2.062 697 R HA -0.139 4.198 4.340 -0.005 0.000 0.229 697 R C 1.981 178.323 176.300 0.071 0.000 1.128 697 R CA 1.222 57.394 56.100 0.119 0.000 0.960 697 R CB -0.268 30.069 30.300 0.062 0.000 0.855 697 R HN -0.127 nan 8.270 nan 0.000 0.432 698 K N 1.095 121.529 120.400 0.056 0.000 2.147 698 K HA -0.111 4.206 4.320 -0.005 0.000 0.205 698 K C 1.733 178.349 176.600 0.027 0.000 1.049 698 K CA 1.407 57.712 56.287 0.029 0.000 0.936 698 K CB -0.081 32.429 32.500 0.016 0.000 0.722 698 K HN 0.208 nan 8.250 nan 0.000 0.446 699 K N 0.617 121.035 120.400 0.029 0.000 2.444 699 K HA -0.010 4.307 4.320 -0.005 0.000 0.193 699 K C -0.065 176.565 176.600 0.051 0.000 1.024 699 K CA 0.108 56.402 56.287 0.012 0.000 1.077 699 K CB 0.375 32.846 32.500 -0.048 0.000 0.833 699 K HN 0.002 nan 8.250 nan 0.000 0.517 700 D N 0.447 120.900 120.400 0.089 0.000 2.462 700 D HA 0.092 4.729 4.640 -0.005 0.000 0.245 700 D C 0.269 176.623 176.300 0.091 0.000 1.122 700 D CA -0.161 53.916 54.000 0.129 0.000 0.864 700 D CB 1.000 41.938 40.800 0.230 0.000 1.098 700 D HN -0.242 nan 8.370 nan 0.000 0.541 701 K N 2.064 122.511 120.400 0.079 0.000 2.217 701 K HA 0.000 4.317 4.320 -0.005 0.000 0.202 701 K C 1.785 178.418 176.600 0.055 0.000 1.051 701 K CA 0.500 56.818 56.287 0.051 0.000 0.952 701 K CB -0.001 32.523 32.500 0.040 0.000 0.736 701 K HN 0.285 nan 8.250 nan 0.000 0.453 702 V N 1.802 121.777 119.914 0.101 0.000 2.270 702 V HA -0.221 3.896 4.120 -0.005 0.000 0.245 702 V C 2.356 178.483 176.094 0.056 0.000 1.043 702 V CA 1.258 63.631 62.300 0.123 0.000 1.014 702 V CB -0.528 31.432 31.823 0.229 0.000 0.645 702 V HN 0.127 nan 8.190 nan 0.000 0.447 703 L N 1.105 122.326 121.223 -0.004 0.000 1.978 703 L HA -0.254 4.083 4.340 -0.005 0.000 0.218 703 L C 2.184 178.934 176.870 -0.199 0.000 1.075 703 L CA 2.752 57.355 54.840 -0.397 0.000 0.767 703 L CB -1.184 40.635 42.059 -0.400 0.000 0.890 703 L HN 0.497 nan 8.230 nan 0.000 0.434 704 D N -0.952 119.404 120.400 -0.074 0.000 2.144 704 D HA -0.156 4.481 4.640 -0.005 0.000 0.199 704 D C 2.013 178.295 176.300 -0.029 0.000 0.984 704 D CA 1.441 55.419 54.000 -0.037 0.000 0.834 704 D CB -0.015 40.783 40.800 -0.003 0.000 0.955 704 D HN 0.481 nan 8.370 nan 0.000 0.465 705 A N 0.052 122.860 122.820 -0.019 0.000 1.897 705 A HA -0.049 4.269 4.320 -0.005 0.000 0.215 705 A C 2.523 180.103 177.584 -0.008 0.000 1.181 705 A CA 1.964 53.995 52.037 -0.009 0.000 0.620 705 A CB -0.930 18.070 19.000 -0.000 0.000 0.821 705 A HN 0.291 nan 8.150 nan 0.000 0.443 706 V N -1.813 118.089 119.914 -0.020 0.000 2.427 706 V HA -0.167 3.950 4.120 -0.005 0.000 0.248 706 V C 2.272 178.364 176.094 -0.003 0.000 1.051 706 V CA 1.792 64.090 62.300 -0.002 0.000 1.048 706 V CB -1.050 30.766 31.823 -0.012 0.000 0.666 706 V HN 0.425 nan 8.190 nan 0.000 0.456 707 L N -0.253 120.945 121.223 -0.041 0.000 2.056 707 L HA -0.102 4.235 4.340 -0.005 0.000 0.207 707 L C 2.866 179.749 176.870 0.021 0.000 1.078 707 L CA 1.921 56.752 54.840 -0.016 0.000 0.749 707 L CB -0.603 41.436 42.059 -0.033 0.000 0.901 707 L HN 0.259 nan 8.230 nan 0.000 0.433 708 K N -0.004 120.403 120.400 0.012 0.000 2.147 708 K HA -0.187 4.131 4.320 -0.005 0.000 0.205 708 K C 1.946 178.562 176.600 0.026 0.000 1.049 708 K CA 1.237 57.533 56.287 0.015 0.000 0.936 708 K CB -0.064 32.437 32.500 0.000 0.000 0.722 708 K HN 0.376 nan 8.250 nan 0.000 0.446 709 E N 0.698 120.927 120.200 0.048 0.000 2.106 709 E HA -0.141 4.206 4.350 -0.005 0.000 0.192 709 E C 1.912 178.611 176.600 0.165 0.000 0.984 709 E CA 0.825 57.271 56.400 0.075 0.000 0.806 709 E CB -0.011 29.784 29.700 0.158 0.000 0.750 709 E HN 0.239 nan 8.360 nan 0.000 0.458 710 L N 0.713 122.055 121.223 0.199 0.000 2.217 710 L HA -0.137 4.200 4.340 -0.005 0.000 0.211 710 L C 1.979 178.994 176.870 0.243 0.000 1.107 710 L CA 0.996 56.003 54.840 0.278 0.000 0.783 710 L CB -0.136 42.007 42.059 0.140 0.000 0.919 710 L HN 0.073 nan 8.230 nan 0.000 0.442 711 E N -0.562 119.707 120.200 0.114 0.000 2.371 711 E HA -0.109 4.238 4.350 -0.005 0.000 0.194 711 E C 2.117 178.708 176.600 -0.014 0.000 1.012 711 E CA 1.015 57.443 56.400 0.046 0.000 0.860 711 E CB 0.113 29.833 29.700 0.032 0.000 0.811 711 E HN 0.447 nan 8.360 nan 0.000 0.502 712 S N -0.860 114.836 115.700 -0.007 0.000 2.528 712 S HA 0.145 4.612 4.470 -0.005 0.000 0.219 712 S C 1.699 176.248 174.600 -0.084 0.000 0.985 712 S CA 0.434 58.601 58.200 -0.054 0.000 0.914 712 S CB 0.449 63.614 63.200 -0.059 0.000 0.776 712 S HN 0.329 nan 8.310 nan 0.000 0.526 713 G N 1.803 110.560 108.800 -0.073 0.000 2.176 713 G HA2 -0.348 3.609 3.960 -0.005 0.000 0.253 713 G HA3 -0.348 3.609 3.960 -0.005 0.000 0.253 713 G C 0.748 175.589 174.900 -0.098 0.000 0.979 713 G CA 0.554 45.592 45.100 -0.103 0.000 0.641 713 G HN 0.554 nan 8.290 nan 0.000 0.530 714 K N -0.635 119.675 120.400 -0.150 0.000 2.059 714 K HA -0.155 4.163 4.320 -0.005 0.000 0.212 714 K C 1.735 178.141 176.600 -0.322 0.000 1.050 714 K CA 2.169 58.265 56.287 -0.318 0.000 0.927 714 K CB -0.210 31.946 32.500 -0.573 0.000 0.714 714 K HN 0.542 nan 8.250 nan 0.000 0.447 715 Y N -0.612 119.732 120.300 0.074 0.000 2.457 715 Y HA 0.110 4.657 4.550 -0.005 0.000 0.263 715 Y C 1.146 177.092 175.900 0.077 0.000 1.164 715 Y CA 0.169 58.322 58.100 0.087 0.000 1.274 715 Y CB 0.799 39.315 38.460 0.094 0.000 1.097 715 Y HN 0.080 nan 8.280 nan 0.000 0.523 716 S N -1.887 113.868 115.700 0.091 0.000 2.843 716 S HA 0.151 4.618 4.470 -0.005 0.000 0.249 716 S C -0.269 174.304 174.600 -0.045 0.000 1.047 716 S CA -0.453 57.712 58.200 -0.059 0.000 1.042 716 S CB -0.268 62.708 63.200 -0.373 0.000 0.936 716 S HN 0.312 nan 8.310 nan 0.000 0.531 717 D N 1.401 121.790 120.400 -0.019 0.000 2.772 717 D HA -0.180 4.457 4.640 -0.005 0.000 0.233 717 D C 1.065 177.338 176.300 -0.044 0.000 1.143 717 D CA 1.383 55.370 54.000 -0.021 0.000 0.700 717 D CB -1.547 39.257 40.800 0.005 0.000 1.076 717 D HN 1.065 nan 8.370 nan 0.000 0.430 718 G N 0.542 109.300 108.800 -0.069 0.000 2.194 718 G HA2 -0.284 3.674 3.960 -0.005 0.000 0.236 718 G HA3 -0.284 3.674 3.960 -0.005 0.000 0.236 718 G C -0.055 174.779 174.900 -0.110 0.000 0.987 718 G CA 0.227 45.278 45.100 -0.082 0.000 0.635 718 G HN 0.485 nan 8.290 nan 0.000 0.520 719 D N 0.875 121.200 120.400 -0.125 0.000 2.393 719 D HA 0.442 5.079 4.640 -0.005 0.000 0.232 719 D C 1.477 177.628 176.300 -0.248 0.000 1.192 719 D CA -0.321 53.583 54.000 -0.160 0.000 0.882 719 D CB 0.473 41.203 40.800 -0.116 0.000 1.038 719 D HN 0.336 nan 8.370 nan 0.000 0.499 720 K N 1.951 122.160 120.400 -0.318 0.000 2.362 720 K HA -0.086 4.231 4.320 -0.005 0.000 0.200 720 K C 0.711 177.078 176.600 -0.389 0.000 1.046 720 K CA 0.698 56.762 56.287 -0.372 0.000 0.952 720 K CB 0.193 32.421 32.500 -0.454 0.000 0.753 720 K HN 0.534 nan 8.250 nan 0.000 0.466 721 H N -0.706 118.285 119.070 -0.132 0.000 2.529 721 H HA 0.239 4.792 4.556 -0.005 0.000 0.277 721 H C 1.572 176.782 175.328 -0.197 0.000 1.004 721 H CA 0.213 56.182 56.048 -0.131 0.000 1.167 721 H CB 0.278 29.995 29.762 -0.075 0.000 1.445 721 H HN 0.168 nan 8.280 nan 0.000 0.554 722 A N 0.689 123.320 122.820 -0.315 0.000 1.940 722 A HA -0.139 4.178 4.320 -0.005 0.000 0.219 722 A C 0.846 178.152 177.584 -0.463 0.000 1.176 722 A CA 1.184 52.910 52.037 -0.517 0.000 0.631 722 A CB -0.488 17.837 19.000 -1.123 0.000 0.814 722 A HN 0.175 nan 8.150 nan 0.000 0.446 723 F N -0.268 119.694 119.950 0.019 0.000 2.791 723 F HA 0.255 4.779 4.527 -0.005 0.000 0.308 723 F C 0.889 176.660 175.800 -0.049 0.000 1.138 723 F CA -1.363 56.630 58.000 -0.012 0.000 1.294 723 F CB -0.160 38.796 39.000 -0.073 0.000 0.975 723 F HN 0.056 nan 8.300 nan 0.000 0.512 724 D N 0.577 120.981 120.400 0.008 0.000 2.123 724 D HA -0.181 4.456 4.640 -0.005 0.000 0.196 724 D C 1.987 178.158 176.300 -0.214 0.000 0.992 724 D CA 1.493 55.354 54.000 -0.232 0.000 0.833 724 D CB 0.058 40.724 40.800 -0.224 0.000 0.954 724 D HN 0.397 nan 8.370 nan 0.000 0.455 725 Q N -0.258 119.545 119.800 0.005 0.000 2.061 725 Q HA -0.149 4.189 4.340 -0.005 0.000 0.204 725 Q C 2.249 178.306 176.000 0.096 0.000 0.984 725 Q CA 1.135 56.990 55.803 0.087 0.000 0.846 725 Q CB -0.140 28.669 28.738 0.120 0.000 0.902 725 Q HN 0.327 nan 8.270 nan 0.000 0.421 726 M N 0.117 119.767 119.600 0.083 0.000 2.099 726 M HA -0.176 4.302 4.480 -0.005 0.000 0.262 726 M C 1.580 177.948 176.300 0.113 0.000 1.067 726 M CA 1.164 56.505 55.300 0.067 0.000 1.124 726 M CB 0.082 32.703 32.600 0.036 0.000 1.353 726 M HN 0.182 nan 8.290 nan 0.000 0.410 727 L N 0.352 121.625 121.223 0.083 0.000 1.989 727 L HA -0.249 4.088 4.340 -0.005 0.000 0.211 727 L C 2.625 179.578 176.870 0.138 0.000 1.071 727 L CA 1.926 56.813 54.840 0.078 0.000 0.749 727 L CB -2.062 40.009 42.059 0.021 0.000 0.890 727 L HN 0.387 nan 8.230 nan 0.000 0.431 728 H N -0.724 118.409 119.070 0.105 0.000 2.387 728 H HA -0.088 4.465 4.556 -0.005 0.000 0.299 728 H C 2.461 177.846 175.328 0.095 0.000 1.099 728 H CA 1.483 57.583 56.048 0.087 0.000 1.315 728 H CB -0.472 29.337 29.762 0.078 0.000 1.380 728 H HN 0.453 nan 8.280 nan 0.000 0.513 729 S N 0.718 116.565 115.700 0.245 0.000 2.402 729 S HA -0.083 4.384 4.470 -0.005 0.000 0.229 729 S C 1.994 176.722 174.600 0.213 0.000 1.021 729 S CA 1.196 59.528 58.200 0.219 0.000 0.974 729 S CB -0.614 62.718 63.200 0.221 0.000 0.800 729 S HN 0.597 nan 8.310 nan 0.000 0.484 730 I N -1.351 119.341 120.570 0.204 0.000 3.883 730 I HA 0.482 4.649 4.170 -0.005 0.000 0.326 730 I C 1.038 177.215 176.117 0.100 0.000 1.283 730 I CA -0.226 61.174 61.300 0.166 0.000 1.161 730 I CB -0.431 37.667 38.000 0.163 0.000 1.012 730 I HN 0.301 nan 8.210 nan 0.000 0.421 731 G N 0.918 109.782 108.800 0.107 0.000 2.890 731 G HA2 0.226 4.184 3.960 -0.005 0.000 0.189 731 G HA3 0.226 4.184 3.960 -0.005 0.000 0.189 731 G C 0.492 175.418 174.900 0.042 0.000 1.342 731 G CA -0.307 44.836 45.100 0.071 0.000 1.026 731 G HN -0.157 nan 8.290 nan 0.000 0.579 732 K N -0.457 119.961 120.400 0.030 0.000 2.097 732 K HA -0.094 4.223 4.320 -0.005 0.000 0.206 732 K C 2.737 179.332 176.600 -0.009 0.000 1.049 732 K CA 1.406 57.691 56.287 -0.003 0.000 0.933 732 K CB -0.342 32.155 32.500 -0.005 0.000 0.717 732 K HN 0.418 nan 8.250 nan 0.000 0.442 733 Q N -1.130 118.664 119.800 -0.010 0.000 2.020 733 Q HA -0.065 4.272 4.340 -0.005 0.000 0.202 733 Q C 2.117 178.120 176.000 0.005 0.000 0.982 733 Q CA 1.885 57.657 55.803 -0.051 0.000 0.838 733 Q CB -0.640 27.996 28.738 -0.171 0.000 0.899 733 Q HN 0.430 nan 8.270 nan 0.000 0.423 734 G N -1.679 107.157 108.800 0.059 0.000 2.662 734 G HA2 0.274 4.231 3.960 -0.005 0.000 0.212 734 G HA3 0.274 4.231 3.960 -0.005 0.000 0.212 734 G C 0.940 175.878 174.900 0.064 0.000 1.141 734 G CA 0.312 45.462 45.100 0.083 0.000 0.797 734 G HN 0.579 nan 8.290 nan 0.000 0.531 735 G N 0.287 109.111 108.800 0.039 0.000 2.159 735 G HA2 -0.277 3.680 3.960 -0.005 0.000 0.256 735 G HA3 -0.277 3.680 3.960 -0.005 0.000 0.256 735 G C 0.304 175.237 174.900 0.056 0.000 0.977 735 G CA 0.894 46.001 45.100 0.011 0.000 0.652 735 G HN 1.075 nan 8.290 nan 0.000 0.531 736 D N -0.747 119.718 120.400 0.109 0.000 2.803 736 D HA -0.148 4.489 4.640 -0.005 0.000 0.233 736 D C -0.045 176.375 176.300 0.199 0.000 1.182 736 D CA 1.153 55.269 54.000 0.193 0.000 0.726 736 D CB -0.200 40.719 40.800 0.198 0.000 0.987 736 D HN 0.399 nan 8.370 nan 0.000 0.412 737 P HA -0.159 nan 4.420 nan 0.000 0.225 737 P C 0.854 177.909 177.300 -0.408 0.000 1.148 737 P CA 1.118 64.095 63.100 -0.205 0.000 0.779 737 P CB -0.125 31.351 31.700 -0.372 0.000 0.780 738 Y N -0.796 119.568 120.300 0.108 0.000 2.468 738 Y HA 0.283 4.831 4.550 -0.003 0.000 0.268 738 Y C 1.483 177.370 175.900 -0.021 0.000 1.177 738 Y CA -0.393 57.746 58.100 0.065 0.000 1.265 738 Y CB -0.285 38.268 38.460 0.156 0.000 1.103 738 Y HN -0.288 nan 8.280 nan 0.000 0.522 739 L N -0.833 120.401 121.223 0.019 0.000 3.717 739 L HA -0.353 3.984 4.340 -0.005 0.000 0.414 739 L C 1.156 178.000 176.870 -0.043 0.000 1.228 739 L CA -0.141 54.605 54.840 -0.157 0.000 0.918 739 L CB -2.199 39.630 42.059 -0.384 0.000 1.865 739 L HN 0.155 nan 8.230 nan 0.000 0.922 740 V N -0.597 119.336 119.914 0.031 0.000 2.252 740 V HA -0.367 3.750 4.120 -0.005 0.000 0.249 740 V C 2.478 178.614 176.094 0.071 0.000 1.056 740 V CA 2.665 64.961 62.300 -0.007 0.000 1.022 740 V CB -0.292 31.462 31.823 -0.115 0.000 0.641 740 V HN 0.488 nan 8.190 nan 0.000 0.445 741 M N -0.166 119.484 119.600 0.083 0.000 2.117 741 M HA -0.130 4.347 4.480 -0.005 0.000 0.262 741 M C 2.391 178.731 176.300 0.067 0.000 1.065 741 M CA 2.298 57.672 55.300 0.122 0.000 1.114 741 M CB -1.570 31.116 32.600 0.143 0.000 1.361 741 M HN 0.425 nan 8.290 nan 0.000 0.408 742 A N -0.293 122.358 122.820 -0.282 0.000 2.015 742 A HA -0.143 4.175 4.320 -0.005 0.000 0.219 742 A C 1.717 179.232 177.584 -0.114 0.000 1.163 742 A CA 1.690 53.209 52.037 -0.864 0.000 0.646 742 A CB -0.441 17.834 19.000 -1.208 0.000 0.806 742 A HN 0.407 nan 8.150 nan 0.000 0.448 743 D N -2.263 118.186 120.400 0.081 0.000 2.379 743 D HA 0.115 4.752 4.640 -0.005 0.000 0.208 743 D C 1.209 177.684 176.300 0.291 0.000 1.065 743 D CA -0.099 54.037 54.000 0.228 0.000 0.848 743 D CB -0.112 40.818 40.800 0.217 0.000 0.949 743 D HN 0.385 nan 8.370 nan 0.000 0.509 744 F N 2.442 122.486 119.950 0.157 0.000 2.046 744 F HA -0.230 4.293 4.527 -0.006 0.000 0.297 744 F C 2.175 178.078 175.800 0.172 0.000 1.123 744 F CA 1.940 60.045 58.000 0.176 0.000 1.199 744 F CB -0.275 38.821 39.000 0.159 0.000 0.972 744 F HN -0.034 nan 8.300 nan 0.000 0.474 745 A N 0.365 123.311 122.820 0.210 0.000 1.908 745 A HA -0.098 4.219 4.320 -0.005 0.000 0.218 745 A C 2.393 179.952 177.584 -0.042 0.000 1.181 745 A CA 2.014 54.080 52.037 0.047 0.000 0.627 745 A CB -1.644 17.495 19.000 0.231 0.000 0.818 745 A HN 0.569 nan 8.150 nan 0.000 0.445 746 A N -1.665 121.197 122.820 0.070 0.000 1.933 746 A HA -0.086 4.232 4.320 -0.005 0.000 0.218 746 A C 2.144 179.693 177.584 -0.059 0.000 1.175 746 A CA 1.695 53.781 52.037 0.082 0.000 0.628 746 A CB -0.728 18.396 19.000 0.207 0.000 0.814 746 A HN 0.695 nan 8.150 nan 0.000 0.444 747 Y N 0.750 120.803 120.300 -0.412 0.000 2.163 747 Y HA -0.142 4.406 4.550 -0.004 0.000 0.288 747 Y C 2.396 177.809 175.900 -0.811 0.000 1.136 747 Y CA 1.535 59.026 58.100 -1.016 0.000 1.147 747 Y CB -0.663 37.310 38.460 -0.811 0.000 0.987 747 Y HN 0.060 nan 8.280 nan 0.000 0.509 748 V N 0.628 120.086 119.914 -0.760 0.000 2.332 748 V HA -0.270 3.848 4.120 -0.005 0.000 0.248 748 V C 2.386 178.195 176.094 -0.475 0.000 1.055 748 V CA 2.243 64.092 62.300 -0.752 0.000 1.038 748 V CB -0.707 30.753 31.823 -0.605 0.000 0.651 748 V HN 0.318 nan 8.190 nan 0.000 0.450 749 E N 0.894 120.907 120.200 -0.311 0.000 2.047 749 E HA -0.151 4.196 4.350 -0.005 0.000 0.191 749 E C 2.157 178.655 176.600 -0.169 0.000 0.987 749 E CA 1.709 58.009 56.400 -0.167 0.000 0.799 749 E CB -0.573 29.084 29.700 -0.073 0.000 0.752 749 E HN 0.485 nan 8.360 nan 0.000 0.449 750 A N 0.647 123.340 122.820 -0.213 0.000 1.933 750 A HA -0.206 4.111 4.320 -0.005 0.000 0.218 750 A C 2.146 179.539 177.584 -0.319 0.000 1.175 750 A CA 1.630 53.585 52.037 -0.138 0.000 0.628 750 A CB -0.550 18.398 19.000 -0.087 0.000 0.814 750 A HN 0.258 nan 8.150 nan 0.000 0.444 751 Q N -0.158 119.322 119.800 -0.532 0.000 2.167 751 Q HA -0.126 4.211 4.340 -0.005 0.000 0.202 751 Q C 1.909 177.727 176.000 -0.304 0.000 0.970 751 Q CA 1.395 56.874 55.803 -0.540 0.000 0.855 751 Q CB -0.260 27.953 28.738 -0.876 0.000 0.911 751 Q HN 0.711 nan 8.270 nan 0.000 0.438 752 K N 0.579 120.848 120.400 -0.217 0.000 2.097 752 K HA -0.165 4.152 4.320 -0.005 0.000 0.206 752 K C 2.107 178.669 176.600 -0.062 0.000 1.049 752 K CA 1.158 57.383 56.287 -0.103 0.000 0.933 752 K CB 0.021 32.479 32.500 -0.069 0.000 0.717 752 K HN 0.276 nan 8.250 nan 0.000 0.442 753 Q N 0.276 120.046 119.800 -0.049 0.000 2.167 753 Q HA -0.099 4.238 4.340 -0.005 0.000 0.202 753 Q C 2.085 178.119 176.000 0.058 0.000 0.970 753 Q CA 0.915 56.772 55.803 0.090 0.000 0.855 753 Q CB -0.040 28.854 28.738 0.259 0.000 0.911 753 Q HN 0.063 nan 8.270 nan 0.000 0.438 754 V N 1.661 121.375 119.914 -0.332 0.000 2.282 754 V HA -0.314 3.803 4.120 -0.005 0.000 0.249 754 V C 1.331 177.455 176.094 0.051 0.000 1.057 754 V CA 2.304 64.395 62.300 -0.349 0.000 1.032 754 V CB -0.565 30.959 31.823 -0.498 0.000 0.645 754 V HN 0.360 nan 8.190 nan 0.000 0.447 755 D N -0.228 120.155 120.400 -0.027 0.000 2.116 755 D HA -0.167 4.470 4.640 -0.005 0.000 0.193 755 D C 2.084 178.444 176.300 0.099 0.000 0.998 755 D CA 1.487 55.493 54.000 0.011 0.000 0.836 755 D CB -0.433 40.358 40.800 -0.016 0.000 0.951 755 D HN 0.281 nan 8.370 nan 0.000 0.449 756 V N 0.414 120.395 119.914 0.113 0.000 2.287 756 V HA -0.214 3.903 4.120 -0.005 0.000 0.248 756 V C 2.311 178.522 176.094 0.195 0.000 1.053 756 V CA 1.255 63.633 62.300 0.130 0.000 1.027 756 V CB -0.451 31.444 31.823 0.120 0.000 0.646 756 V HN 0.177 nan 8.190 nan 0.000 0.447 757 L N -1.107 120.313 121.223 0.327 0.000 2.056 757 L HA -0.154 4.183 4.340 -0.005 0.000 0.207 757 L C 2.257 179.418 176.870 0.484 0.000 1.078 757 L CA 1.883 56.994 54.840 0.451 0.000 0.749 757 L CB -0.798 41.664 42.059 0.672 0.000 0.901 757 L HN 0.410 nan 8.230 nan 0.000 0.433 758 Y N 0.287 120.723 120.300 0.227 0.000 2.207 758 Y HA -0.250 4.297 4.550 -0.005 0.000 0.287 758 Y C 2.591 178.397 175.900 -0.156 0.000 1.156 758 Y CA 1.688 59.614 58.100 -0.290 0.000 1.182 758 Y CB -0.069 38.014 38.460 -0.628 0.000 0.979 758 Y HN 0.144 nan 8.280 nan 0.000 0.521 759 R N -0.466 120.055 120.500 0.035 0.000 2.189 759 R HA -0.105 4.233 4.340 -0.005 0.000 0.223 759 R C 0.177 176.455 176.300 -0.037 0.000 1.092 759 R CA 1.036 57.130 56.100 -0.010 0.000 0.989 759 R CB -0.214 30.106 30.300 0.034 0.000 0.876 759 R HN 0.176 nan 8.270 nan 0.000 0.457 760 D N 0.714 121.118 120.400 0.007 0.000 2.500 760 D HA 0.018 4.655 4.640 -0.005 0.000 0.219 760 D C 0.738 177.045 176.300 0.012 0.000 1.137 760 D CA -0.070 53.941 54.000 0.019 0.000 0.946 760 D CB 0.879 41.717 40.800 0.063 0.000 1.022 760 D HN -0.118 nan 8.370 nan 0.000 0.518 761 Q N 1.720 121.480 119.800 -0.066 0.000 2.170 761 Q HA -0.160 4.177 4.340 -0.005 0.000 0.203 761 Q C 1.450 177.468 176.000 0.029 0.000 0.976 761 Q CA 0.831 56.580 55.803 -0.091 0.000 0.858 761 Q CB 0.150 28.787 28.738 -0.169 0.000 0.907 761 Q HN 0.700 nan 8.270 nan 0.000 0.433 762 E N -0.157 120.058 120.200 0.025 0.000 2.077 762 E HA -0.165 4.182 4.350 -0.005 0.000 0.193 762 E C 1.726 178.359 176.600 0.055 0.000 0.989 762 E CA 1.079 57.502 56.400 0.039 0.000 0.800 762 E CB 0.088 29.802 29.700 0.022 0.000 0.746 762 E HN 0.281 nan 8.360 nan 0.000 0.452 763 A N 1.629 124.491 122.820 0.070 0.000 1.897 763 A HA -0.159 4.158 4.320 -0.005 0.000 0.215 763 A C 2.008 179.647 177.584 0.092 0.000 1.181 763 A CA 0.999 53.074 52.037 0.063 0.000 0.620 763 A CB -1.144 17.898 19.000 0.071 0.000 0.821 763 A HN 0.689 nan 8.150 nan 0.000 0.443 764 W N 1.321 122.606 121.300 -0.024 0.000 2.332 764 W HA -0.187 4.471 4.660 -0.004 0.000 0.321 764 W C 1.904 178.424 176.519 0.001 0.000 1.219 764 W CA 2.547 59.892 57.345 0.000 0.000 1.277 764 W CB -0.921 28.496 29.460 -0.072 0.000 1.161 764 W HN 0.359 nan 8.180 nan 0.000 0.476 765 T N 1.094 115.789 114.554 0.235 0.000 2.720 765 T HA -0.229 4.119 4.350 -0.005 0.000 0.268 765 T C 1.886 176.545 174.700 -0.068 0.000 1.037 765 T CA 1.971 64.144 62.100 0.121 0.000 1.144 765 T CB -0.376 68.577 68.868 0.142 0.000 0.864 765 T HN 0.157 nan 8.240 nan 0.000 0.444 766 R N 0.761 121.231 120.500 -0.050 0.000 2.094 766 R HA -0.101 4.236 4.340 -0.005 0.000 0.239 766 R C 2.827 179.038 176.300 -0.147 0.000 1.137 766 R CA 1.577 57.622 56.100 -0.091 0.000 0.943 766 R CB -0.594 29.672 30.300 -0.057 0.000 0.850 766 R HN 0.393 nan 8.270 nan 0.000 0.433 767 A N 0.794 123.512 122.820 -0.171 0.000 1.908 767 A HA -0.171 4.146 4.320 -0.005 0.000 0.218 767 A C 2.329 179.769 177.584 -0.239 0.000 1.181 767 A CA 1.874 53.774 52.037 -0.229 0.000 0.627 767 A CB -0.727 18.082 19.000 -0.318 0.000 0.818 767 A HN 0.471 nan 8.150 nan 0.000 0.445 768 A N -0.128 122.536 122.820 -0.259 0.000 1.873 768 A HA -0.059 4.258 4.320 -0.005 0.000 0.215 768 A C 2.107 179.604 177.584 -0.144 0.000 1.186 768 A CA 1.472 53.426 52.037 -0.139 0.000 0.616 768 A CB -0.616 18.412 19.000 0.046 0.000 0.823 768 A HN 0.490 nan 8.150 nan 0.000 0.442 769 I N -0.242 120.099 120.570 -0.382 0.000 2.264 769 I HA -0.265 3.902 4.170 -0.005 0.000 0.248 769 I C 2.226 178.240 176.117 -0.172 0.000 1.111 769 I CA 1.109 62.140 61.300 -0.449 0.000 1.382 769 I CB -0.252 37.485 38.000 -0.437 0.000 1.060 769 I HN 0.288 nan 8.210 nan 0.000 0.418 770 L N -0.002 121.135 121.223 -0.144 0.000 2.217 770 L HA -0.129 4.208 4.340 -0.005 0.000 0.211 770 L C 2.227 179.062 176.870 -0.057 0.000 1.107 770 L CA 0.920 55.703 54.840 -0.094 0.000 0.783 770 L CB -0.678 41.320 42.059 -0.101 0.000 0.919 770 L HN 0.342 nan 8.230 nan 0.000 0.442 771 N N -0.379 118.285 118.700 -0.060 0.000 2.084 771 N HA -0.157 4.581 4.740 -0.005 0.000 0.190 771 N C 1.702 177.231 175.510 0.031 0.000 1.030 771 N CA 1.977 55.017 53.050 -0.017 0.000 0.849 771 N CB -0.113 38.356 38.487 -0.030 0.000 1.012 771 N HN 0.290 nan 8.380 nan 0.000 0.423 772 T N 1.423 116.008 114.554 0.053 0.000 2.652 772 T HA -0.117 4.230 4.350 -0.005 0.000 0.267 772 T C 2.074 176.801 174.700 0.044 0.000 1.039 772 T CA 1.443 63.590 62.100 0.080 0.000 1.153 772 T CB -0.373 68.592 68.868 0.160 0.000 0.863 772 T HN 0.335 nan 8.240 nan 0.000 0.428 773 A N 1.409 124.237 122.820 0.013 0.000 1.978 773 A HA -0.093 4.225 4.320 -0.005 0.000 0.220 773 A C 2.252 179.845 177.584 0.016 0.000 1.170 773 A CA 1.333 53.370 52.037 0.000 0.000 0.636 773 A CB -0.374 18.609 19.000 -0.027 0.000 0.810 773 A HN 0.435 nan 8.150 nan 0.000 0.448 774 R N -2.022 118.494 120.500 0.028 0.000 2.334 774 R HA 0.147 4.484 4.340 -0.005 0.000 0.216 774 R C 0.371 176.726 176.300 0.092 0.000 0.905 774 R CA 0.162 56.285 56.100 0.038 0.000 1.064 774 R CB -0.093 30.220 30.300 0.023 0.000 1.046 774 R HN 0.453 nan 8.270 nan 0.000 0.508 775 C N 0.490 119.877 119.300 0.145 0.000 2.589 775 C HA 0.215 4.672 4.460 -0.005 0.000 0.307 775 C C 2.074 177.195 174.990 0.218 0.000 1.328 775 C CA -0.557 58.649 59.018 0.313 0.000 1.742 775 C CB -0.580 27.368 27.740 0.347 0.000 2.037 775 C HN 0.643 nan 8.230 nan 0.000 0.592 776 G N 1.805 110.645 108.800 0.068 0.000 2.432 776 G HA2 -0.267 3.690 3.960 -0.005 0.000 0.219 776 G HA3 -0.267 3.690 3.960 -0.005 0.000 0.219 776 G C 1.595 176.471 174.900 -0.041 0.000 1.135 776 G CA 1.105 46.229 45.100 0.040 0.000 0.767 776 G HN 0.693 nan 8.290 nan 0.000 0.550 777 M N -1.437 118.028 119.600 -0.224 0.000 2.549 777 M HA 0.262 4.739 4.480 -0.005 0.000 0.260 777 M C 1.198 177.240 176.300 -0.430 0.000 1.076 777 M CA 1.161 56.231 55.300 -0.383 0.000 1.090 777 M CB -0.342 31.905 32.600 -0.587 0.000 1.418 777 M HN 0.020 nan 8.290 nan 0.000 0.486 778 F N 0.991 120.972 119.950 0.052 0.000 2.773 778 F HA 0.309 4.832 4.527 -0.006 0.000 0.304 778 F C 1.379 177.233 175.800 0.091 0.000 1.129 778 F CA -0.408 57.630 58.000 0.064 0.000 1.378 778 F CB -0.548 38.479 39.000 0.046 0.000 1.095 778 F HN 0.132 nan 8.300 nan 0.000 0.565 779 S N 0.299 116.103 115.700 0.174 0.000 2.549 779 S HA 0.017 4.484 4.470 -0.005 0.000 0.286 779 S C 1.576 176.277 174.600 0.168 0.000 1.314 779 S CA 0.163 58.462 58.200 0.165 0.000 1.062 779 S CB 0.592 63.856 63.200 0.108 0.000 0.865 779 S HN 0.397 nan 8.310 nan 0.000 0.498 780 S N 3.205 119.036 115.700 0.217 0.000 2.474 780 S HA -0.082 4.386 4.470 -0.005 0.000 0.235 780 S C 1.022 175.682 174.600 0.100 0.000 0.997 780 S CA 0.799 59.157 58.200 0.264 0.000 0.949 780 S CB -0.335 63.123 63.200 0.429 0.000 0.766 780 S HN 0.791 nan 8.310 nan 0.000 0.517 781 D N 1.848 122.290 120.400 0.070 0.000 2.144 781 D HA -0.092 4.545 4.640 -0.005 0.000 0.199 781 D C 2.075 178.370 176.300 -0.007 0.000 0.984 781 D CA 0.836 54.846 54.000 0.017 0.000 0.834 781 D CB -0.319 40.490 40.800 0.015 0.000 0.955 781 D HN 0.324 nan 8.370 nan 0.000 0.465 782 R N 0.918 121.420 120.500 0.003 0.000 2.090 782 R HA 0.008 4.345 4.340 -0.005 0.000 0.228 782 R C 1.971 178.245 176.300 -0.043 0.000 1.110 782 R CA 0.704 56.788 56.100 -0.026 0.000 0.973 782 R CB -0.246 30.030 30.300 -0.039 0.000 0.869 782 R HN 0.013 nan 8.270 nan 0.000 0.440 783 S N 1.394 117.090 115.700 -0.007 0.000 2.359 783 S HA -0.118 4.350 4.470 -0.005 0.000 0.224 783 S C 1.970 176.501 174.600 -0.115 0.000 1.035 783 S CA 1.178 59.368 58.200 -0.016 0.000 1.018 783 S CB -0.179 63.108 63.200 0.146 0.000 0.876 783 S HN 0.202 nan 8.310 nan 0.000 0.448 784 I N 1.801 122.255 120.570 -0.193 0.000 2.226 784 I HA -0.101 4.066 4.170 -0.005 0.000 0.245 784 I C 2.356 178.430 176.117 -0.072 0.000 1.100 784 I CA 1.291 62.504 61.300 -0.145 0.000 1.374 784 I CB -1.205 36.744 38.000 -0.085 0.000 1.057 784 I HN 0.186 nan 8.210 nan 0.000 0.413 785 R N 0.833 121.295 120.500 -0.063 0.000 2.105 785 R HA -0.161 4.177 4.340 -0.005 0.000 0.239 785 R C 1.810 178.041 176.300 -0.115 0.000 1.135 785 R CA 1.204 57.269 56.100 -0.058 0.000 0.967 785 R CB -0.974 29.298 30.300 -0.047 0.000 0.861 785 R HN 0.397 nan 8.270 nan 0.000 0.442 786 D N -0.300 120.001 120.400 -0.165 0.000 2.097 786 D HA -0.132 4.505 4.640 -0.005 0.000 0.197 786 D C 1.956 178.010 176.300 -0.411 0.000 0.984 786 D CA 1.085 54.934 54.000 -0.252 0.000 0.826 786 D CB -0.387 40.253 40.800 -0.267 0.000 0.973 786 D HN 0.210 nan 8.370 nan 0.000 0.460 787 Y N 1.352 121.329 120.300 -0.538 0.000 2.207 787 Y HA -0.182 4.366 4.550 -0.004 0.000 0.287 787 Y C 2.585 177.983 175.900 -0.837 0.000 1.156 787 Y CA 1.292 58.791 58.100 -1.001 0.000 1.182 787 Y CB -0.230 37.043 38.460 -1.977 0.000 0.979 787 Y HN 0.066 nan 8.280 nan 0.000 0.521 788 Q N -0.897 118.736 119.800 -0.280 0.000 2.046 788 Q HA -0.154 4.183 4.340 -0.005 0.000 0.200 788 Q C 2.587 178.559 176.000 -0.047 0.000 0.975 788 Q CA 1.338 57.142 55.803 0.002 0.000 0.836 788 Q CB -0.340 28.454 28.738 0.094 0.000 0.896 788 Q HN 0.505 nan 8.270 nan 0.000 0.428 789 A N 1.072 123.832 122.820 -0.100 0.000 1.898 789 A HA -0.144 4.173 4.320 -0.005 0.000 0.216 789 A C 1.946 179.466 177.584 -0.106 0.000 1.181 789 A CA 1.193 53.184 52.037 -0.077 0.000 0.620 789 A CB -0.221 18.733 19.000 -0.077 0.000 0.819 789 A HN 0.184 nan 8.150 nan 0.000 0.442 790 R N -1.535 118.843 120.500 -0.203 0.000 2.173 790 R HA 0.333 4.670 4.340 -0.005 0.000 0.208 790 R C 1.168 177.271 176.300 -0.327 0.000 1.035 790 R CA 1.174 57.109 56.100 -0.275 0.000 1.004 790 R CB 0.013 30.082 30.300 -0.386 0.000 0.917 790 R HN 0.549 nan 8.270 nan 0.000 0.462 791 I N -2.508 117.911 120.570 -0.251 0.000 3.685 791 I HA 0.009 4.176 4.170 -0.005 0.000 0.258 791 I C 1.316 177.579 176.117 0.244 0.000 1.135 791 I CA -0.234 61.041 61.300 -0.042 0.000 1.436 791 I CB -0.171 37.698 38.000 -0.218 0.000 1.670 791 I HN 0.020 nan 8.210 nan 0.000 0.424 792 W N 2.066 123.460 121.300 0.156 0.000 2.358 792 W HA -0.069 4.588 4.660 -0.004 0.000 0.303 792 W C 1.837 178.382 176.519 0.042 0.000 1.208 792 W CA 0.746 58.170 57.345 0.132 0.000 1.274 792 W CB -0.780 28.748 29.460 0.113 0.000 1.138 792 W HN 0.232 nan 8.180 nan 0.000 0.515 793 Q N -0.892 119.042 119.800 0.223 0.000 2.198 793 Q HA 0.347 4.684 4.340 -0.005 0.000 0.209 793 Q C 0.523 176.541 176.000 0.030 0.000 0.848 793 Q CA -0.006 55.860 55.803 0.105 0.000 0.974 793 Q CB -0.083 28.714 28.738 0.098 0.000 1.115 793 Q HN -0.000 nan 8.270 nan 0.000 0.494 794 A N 1.245 124.078 122.820 0.021 0.000 2.313 794 A HA 0.327 4.644 4.320 -0.005 0.000 0.261 794 A C 0.190 177.743 177.584 -0.052 0.000 1.090 794 A CA -0.317 51.714 52.037 -0.011 0.000 0.807 794 A CB 0.435 19.438 19.000 0.004 0.000 1.055 794 A HN 0.119 nan 8.150 nan 0.000 0.492 795 K N 0.609 120.983 120.400 -0.044 0.000 2.270 795 K HA 0.238 4.555 4.320 -0.005 0.000 0.276 795 K C 0.234 176.779 176.600 -0.092 0.000 1.023 795 K CA -0.214 56.033 56.287 -0.067 0.000 0.955 795 K CB 0.467 32.945 32.500 -0.038 0.000 0.975 795 K HN 0.696 nan 8.250 nan 0.000 0.471 796 R N 0.000 120.415 120.500 -0.142 0.000 2.786 796 R HA 0.000 4.337 4.340 -0.005 0.000 0.208 796 R CA 0.000 55.991 56.100 -0.182 0.000 0.921 796 R CB 0.000 30.129 30.300 -0.285 0.000 0.687 796 R HN 0.000 nan 8.270 nan 0.000 0.535