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 2w00_1_A DATA FIRST_RESID 13 DATA SEQUENCE NFIVLDKYIK AEPTGDSYQS ESDLERELIQ DLRNQGYEFI SVKSQSAXLA DATA SEQUENCE NVREQLQNLN GVVFNDSEWR RFTEQYLDNP SDGILDKTRK IHIDYICDFI DATA SEQUENCE FDDERLENIY LIDKKNLXRN KVQIIQQFEX XXXXXNRYDV TILVNGLPLV DATA SEQUENCE QIELKKRGVA IREAFNQIHX XXXXXXXSEN SLFKYLQLFV ISNGTDTRYF DATA SEQUENCE ANTTKRDKNS FDFTXNWAKS DNTLIKDLKD FTATCFQKHT LLNVLVNYSV DATA SEQUENCE FDSSQTLLVX RPYQIAATER ILWKIKSSFT AKNWSKPESG GYIWHTTGSG DATA SEQUENCE KTLTSFKAAR LATELDFIDK VFFVVDRKDL DYQTXKEYQR FSPDSVNGSE DATA SEQUENCE NTAGLKRNLD KDDNKIIVTT IQKLNNLXKA ESDLPVYNQQ VVFIFDECHR DATA SEQUENCE SQFGEAQKNL KKKFKRYYQF GFTGTPIFPE NALGSETTAS VFGRELHSYV DATA SEQUENCE ITDAIRDEKV LKFKVDYNDV RPQFKSLETE TDEKKLSAAE NQQAFLHPXR DATA SEQUENCE IQEITQYILN NFRQKTHRTF PGSKGFNAXL AVSSVDAAKA YYATFKRLQE DATA SEQUENCE EAANKSATYK PLRIATIFSF AAXXXXXXIG EISDETFDTS AXDSSAKEFL DATA SEQUENCE DAAIREYNSH FKTNFSTDSN GFQNYYRDLA QRVKNQDIDL LIVVGXFLTG DATA SEQUENCE FDAPTLNTLF VDKNLRYHGL XQAFSRTNRI YDATKTFGNI VTFRDLERST DATA SEQUENCE IDAITLFGDK NTKNVVLEKS YTEYXEGFTD AATGEAKRGF XTVVSELEQR DATA SEQUENCE FPDPTSIESE KEKKDFVKLF GEYLRAENIL QNYDEFATLK ALQQIDLSDP DATA SEQUENCE VAVEKFKAEH YVDDEKFAEL QTIRLPADRK IQDYRSAYND IRDWQRXXXX DATA SEQUENCE XXXXXXXTTD WDDVVFEVDL LKS 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 13 N HA 0.000 nan 4.740 nan 0.000 0.220 13 N C 0.000 175.520 175.510 0.017 0.000 1.280 13 N CA 0.000 52.951 53.050 -0.166 0.000 0.885 13 N CB 0.000 38.400 38.487 -0.145 0.000 1.341 14 F N 1.070 121.024 119.950 0.008 0.000 2.506 14 F HA 0.225 4.751 4.527 -0.001 0.000 0.351 14 F C 2.202 178.047 175.800 0.076 0.000 1.136 14 F CA -0.747 57.259 58.000 0.010 0.000 1.298 14 F CB 1.138 40.087 39.000 -0.086 0.000 1.145 14 F HN 0.445 nan 8.300 nan 0.000 0.593 15 I N -0.254 120.497 120.570 0.301 0.000 3.645 15 I HA 0.163 4.333 4.170 -0.001 0.000 0.300 15 I C -0.276 175.954 176.117 0.188 0.000 1.260 15 I CA 0.322 61.766 61.300 0.240 0.000 1.365 15 I CB 0.209 38.336 38.000 0.211 0.000 1.077 15 I HN 0.093 nan 8.210 nan 0.000 0.439 16 V N 4.159 124.076 119.914 0.005 0.000 2.318 16 V HA 0.355 4.475 4.120 -0.001 0.000 0.271 16 V C 0.171 176.211 176.094 -0.090 0.000 1.030 16 V CA -0.474 61.721 62.300 -0.175 0.000 0.844 16 V CB 0.939 32.515 31.823 -0.411 0.000 1.015 16 V HN 0.207 nan 8.190 nan 0.000 0.460 17 L N 3.729 124.935 121.223 -0.028 0.000 2.417 17 L HA 0.334 4.674 4.340 -0.001 0.000 0.268 17 L C 1.229 178.114 176.870 0.024 0.000 1.158 17 L CA -0.264 54.605 54.840 0.048 0.000 0.819 17 L CB 0.511 42.627 42.059 0.095 0.000 1.112 17 L HN 0.502 nan 8.230 nan 0.000 0.458 18 D N 0.768 121.202 120.400 0.058 0.000 2.269 18 D HA -0.017 4.623 4.640 -0.001 0.000 0.208 18 D C 0.421 176.760 176.300 0.065 0.000 0.963 18 D CA 1.297 55.325 54.000 0.048 0.000 0.864 18 D CB 0.258 41.091 40.800 0.055 0.000 0.936 18 D HN 0.346 nan 8.370 nan 0.000 0.505 19 K N -0.837 119.621 120.400 0.097 0.000 2.542 19 K HA 0.333 4.653 4.320 -0.001 0.000 0.259 19 K C -2.074 174.649 176.600 0.204 0.000 0.932 19 K CA -0.771 55.583 56.287 0.112 0.000 0.820 19 K CB 2.163 34.705 32.500 0.071 0.000 1.345 19 K HN -0.106 nan 8.250 nan 0.000 0.432 20 Y N 4.731 125.049 120.300 0.030 0.000 2.299 20 Y HA 0.301 4.850 4.550 -0.001 0.000 0.318 20 Y C -1.454 174.467 175.900 0.034 0.000 1.205 20 Y CA -1.036 57.087 58.100 0.038 0.000 1.106 20 Y CB 0.756 39.246 38.460 0.049 0.000 1.246 20 Y HN 0.555 nan 8.280 nan 0.000 0.415 21 I N 2.795 122.975 120.570 -0.649 0.000 2.428 21 I HA 0.484 4.653 4.170 -0.001 0.000 0.289 21 I C -0.429 175.147 176.117 -0.901 0.000 1.019 21 I CA -0.660 60.297 61.300 -0.572 0.000 1.351 21 I CB 1.075 38.907 38.000 -0.281 0.000 1.412 21 I HN 0.542 nan 8.210 nan 0.000 0.513 22 K N 5.255 125.395 120.400 -0.432 0.000 2.453 22 K HA 0.292 4.611 4.320 -0.001 0.000 0.280 22 K C 0.438 176.963 176.600 -0.125 0.000 1.045 22 K CA 0.053 56.234 56.287 -0.177 0.000 1.059 22 K CB 0.499 32.993 32.500 -0.009 0.000 0.901 22 K HN 0.852 nan 8.250 nan 0.000 0.475 23 A N 3.391 126.207 122.820 -0.007 0.000 2.609 23 A HA -0.099 4.221 4.320 -0.001 0.000 0.232 23 A C 0.117 177.700 177.584 -0.002 0.000 1.041 23 A CA 0.191 52.244 52.037 0.027 0.000 0.753 23 A CB 0.128 19.190 19.000 0.104 0.000 0.966 23 A HN 0.734 nan 8.150 nan 0.000 0.510 24 E N 1.995 122.185 120.200 -0.017 0.000 2.227 24 E HA 0.511 4.860 4.350 -0.001 0.000 0.282 24 E C -2.050 174.521 176.600 -0.049 0.000 1.015 24 E CA -1.635 54.747 56.400 -0.030 0.000 0.823 24 E CB 0.581 30.265 29.700 -0.027 0.000 1.081 24 E HN 0.546 nan 8.360 nan 0.000 0.396 25 P HA 0.074 nan 4.420 nan 0.000 0.272 25 P C 0.143 177.383 177.300 -0.099 0.000 1.230 25 P CA -0.224 62.791 63.100 -0.142 0.000 0.788 25 P CB 0.914 32.516 31.700 -0.163 0.000 0.949 26 T N -1.919 112.568 114.554 -0.113 0.000 2.985 26 T HA 0.141 4.490 4.350 -0.001 0.000 0.266 26 T C 1.106 175.789 174.700 -0.028 0.000 1.076 26 T CA 0.593 62.661 62.100 -0.053 0.000 1.135 26 T CB -0.457 68.391 68.868 -0.033 0.000 0.890 26 T HN 0.631 nan 8.240 nan 0.000 0.480 27 G N -0.045 108.737 108.800 -0.029 0.000 2.557 27 G HA2 0.501 4.461 3.960 -0.001 0.000 0.310 27 G HA3 0.501 4.461 3.960 -0.001 0.000 0.310 27 G C -0.432 174.473 174.900 0.009 0.000 1.328 27 G CA 0.091 45.177 45.100 -0.023 0.000 0.945 27 G HN 0.640 nan 8.290 nan 0.000 0.494 28 D N 0.252 120.668 120.400 0.027 0.000 3.094 28 D HA 0.178 4.817 4.640 -0.001 0.000 0.238 28 D C 0.547 176.894 176.300 0.078 0.000 1.017 28 D CA 0.755 54.778 54.000 0.037 0.000 0.908 28 D CB -1.643 nan 40.800 nan 0.000 0.981 28 D HN 1.700 nan 8.370 nan 0.000 0.423 29 S N -0.664 115.089 115.700 0.088 0.000 2.584 29 S HA 0.592 5.062 4.470 -0.001 0.000 0.270 29 S C 0.293 175.016 174.600 0.205 0.000 1.346 29 S CA 0.477 58.746 58.200 0.115 0.000 1.018 29 S CB 1.253 64.495 63.200 0.070 0.000 0.899 29 S HN 1.490 nan 8.310 nan 0.000 0.542 30 Y N 1.211 121.512 120.300 0.002 0.000 2.810 30 Y HA 0.277 4.826 4.550 -0.001 0.000 0.255 30 Y C 1.034 176.932 175.900 -0.003 0.000 0.979 30 Y CA -0.446 57.655 58.100 0.002 0.000 1.106 30 Y CB 0.379 38.847 38.460 0.013 0.000 1.209 30 Y HN 0.807 nan 8.280 nan 0.000 0.646 31 Q N 0.273 120.046 119.800 -0.046 0.000 2.387 31 Q HA 0.169 4.509 4.340 -0.001 0.000 0.212 31 Q C 0.811 176.720 176.000 -0.151 0.000 0.925 31 Q CA 0.614 56.373 55.803 -0.074 0.000 0.901 31 Q CB 0.626 29.349 28.738 -0.025 0.000 1.020 31 Q HN 0.336 nan 8.270 nan 0.000 0.545 32 S N -0.288 115.313 115.700 -0.166 0.000 2.646 32 S HA 0.103 4.572 4.470 -0.001 0.000 0.276 32 S C 0.925 175.349 174.600 -0.293 0.000 1.222 32 S CA -0.335 57.750 58.200 -0.191 0.000 1.014 32 S CB 0.823 63.936 63.200 -0.146 0.000 0.991 32 S HN 0.369 nan 8.310 nan 0.000 0.533 33 E N 1.907 121.875 120.200 -0.386 0.000 2.153 33 E HA -0.140 4.210 4.350 -0.001 0.000 0.194 33 E C 1.849 178.109 176.600 -0.567 0.000 0.988 33 E CA 1.507 57.600 56.400 -0.512 0.000 0.811 33 E CB -0.457 28.821 29.700 -0.704 0.000 0.746 33 E HN 0.728 nan 8.360 nan 0.000 0.466 34 S N 0.897 116.248 115.700 -0.581 0.000 2.446 34 S HA -0.094 4.375 4.470 -0.001 0.000 0.225 34 S C 1.455 175.989 174.600 -0.110 0.000 1.016 34 S CA 0.610 58.644 58.200 -0.278 0.000 0.943 34 S CB 0.061 63.202 63.200 -0.097 0.000 0.786 34 S HN 0.030 nan 8.310 nan 0.000 0.508 35 D N 2.128 122.447 120.400 -0.136 0.000 2.087 35 D HA -0.068 4.572 4.640 -0.001 0.000 0.192 35 D C 1.863 178.118 176.300 -0.075 0.000 0.993 35 D CA 1.165 55.121 54.000 -0.072 0.000 0.828 35 D CB -0.510 40.231 40.800 -0.098 0.000 0.968 35 D HN 0.310 nan 8.370 nan 0.000 0.448 36 L N 0.976 122.055 121.223 -0.240 0.000 2.042 36 L HA -0.149 4.191 4.340 -0.001 0.000 0.210 36 L C 2.340 179.215 176.870 0.009 0.000 1.076 36 L CA 1.440 56.169 54.840 -0.184 0.000 0.749 36 L CB -0.760 41.138 42.059 -0.268 0.000 0.893 36 L HN 0.092 nan 8.230 nan 0.000 0.432 37 E N -0.339 119.861 120.200 -0.000 0.000 2.072 37 E HA -0.254 4.095 4.350 -0.001 0.000 0.191 37 E C 2.453 179.107 176.600 0.089 0.000 0.985 37 E CA 0.909 57.355 56.400 0.076 0.000 0.801 37 E CB -0.060 29.714 29.700 0.123 0.000 0.750 37 E HN 0.306 nan 8.360 nan 0.000 0.452 38 R N 0.453 120.996 120.500 0.070 0.000 2.103 38 R HA -0.207 4.132 4.340 -0.001 0.000 0.242 38 R C 1.963 178.313 176.300 0.082 0.000 1.142 38 R CA 2.064 58.202 56.100 0.064 0.000 0.960 38 R CB -0.092 30.241 30.300 0.055 0.000 0.858 38 R HN 0.291 nan 8.270 nan 0.000 0.439 39 E N 0.538 120.814 120.200 0.127 0.000 2.076 39 E HA -0.154 4.196 4.350 -0.001 0.000 0.190 39 E C 2.188 178.871 176.600 0.139 0.000 0.979 39 E CA 0.577 57.065 56.400 0.148 0.000 0.807 39 E CB -0.200 29.640 29.700 0.233 0.000 0.761 39 E HN 0.358 nan 8.360 nan 0.000 0.454 40 L N 1.354 122.669 121.223 0.154 0.000 1.997 40 L HA -0.251 4.089 4.340 -0.001 0.000 0.216 40 L C 2.440 179.372 176.870 0.104 0.000 1.074 40 L CA 1.538 56.465 54.840 0.145 0.000 0.763 40 L CB -0.298 41.847 42.059 0.144 0.000 0.890 40 L HN 0.168 nan 8.230 nan 0.000 0.434 41 I N -0.666 119.963 120.570 0.098 0.000 2.179 41 I HA -0.342 3.828 4.170 -0.001 0.000 0.242 41 I C 2.594 178.756 176.117 0.074 0.000 1.088 41 I CA 1.280 62.637 61.300 0.096 0.000 1.357 41 I CB -0.259 37.800 38.000 0.099 0.000 1.051 41 I HN 0.389 nan 8.210 nan 0.000 0.409 42 Q N 1.248 121.083 119.800 0.058 0.000 2.061 42 Q HA -0.252 4.087 4.340 -0.001 0.000 0.204 42 Q C 1.695 177.740 176.000 0.074 0.000 0.984 42 Q CA 2.081 57.914 55.803 0.051 0.000 0.846 42 Q CB -0.238 28.526 28.738 0.043 0.000 0.902 42 Q HN 0.403 nan 8.270 nan 0.000 0.421 43 D N -0.427 120.027 120.400 0.089 0.000 2.097 43 D HA -0.140 4.500 4.640 -0.001 0.000 0.195 43 D C 1.933 178.301 176.300 0.112 0.000 0.989 43 D CA 1.105 55.167 54.000 0.104 0.000 0.827 43 D CB -0.258 40.616 40.800 0.122 0.000 0.966 43 D HN 0.292 nan 8.370 nan 0.000 0.456 44 L N 0.362 121.631 121.223 0.078 0.000 2.079 44 L HA -0.159 4.181 4.340 -0.001 0.000 0.210 44 L C 2.530 179.530 176.870 0.218 0.000 1.081 44 L CA 1.181 56.045 54.840 0.039 0.000 0.752 44 L CB -0.211 41.715 42.059 -0.223 0.000 0.896 44 L HN -0.026 nan 8.230 nan 0.000 0.433 45 R N -0.388 120.212 120.500 0.166 0.000 2.092 45 R HA -0.103 4.236 4.340 -0.001 0.000 0.231 45 R C 2.027 178.410 176.300 0.138 0.000 1.119 45 R CA 1.240 57.441 56.100 0.169 0.000 0.970 45 R CB -0.425 29.949 30.300 0.123 0.000 0.864 45 R HN 0.342 nan 8.270 nan 0.000 0.440 46 N N 1.113 119.883 118.700 0.117 0.000 2.272 46 N HA -0.163 4.576 4.740 -0.001 0.000 0.185 46 N C 1.088 176.664 175.510 0.110 0.000 1.014 46 N CA 1.239 54.346 53.050 0.096 0.000 0.870 46 N CB 0.002 38.540 38.487 0.086 0.000 0.975 46 N HN 0.371 nan 8.380 nan 0.000 0.433 47 Q N -1.006 118.895 119.800 0.168 0.000 2.280 47 Q HA 0.278 4.618 4.340 -0.001 0.000 0.201 47 Q C 0.371 176.449 176.000 0.130 0.000 0.890 47 Q CA 0.146 56.059 55.803 0.183 0.000 0.947 47 Q CB 0.594 29.499 28.738 0.279 0.000 1.081 47 Q HN 0.379 nan 8.270 nan 0.000 0.502 48 G N 0.349 109.216 108.800 0.112 0.000 2.130 48 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.216 48 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.216 48 G C -0.631 174.210 174.900 -0.098 0.000 0.999 48 G CA -0.538 44.556 45.100 -0.009 0.000 0.686 48 G HN 0.291 nan 8.290 nan 0.000 0.515 49 Y N 1.094 121.401 120.300 0.013 0.000 2.404 49 Y HA 0.448 4.998 4.550 -0.001 0.000 0.344 49 Y C 0.909 176.832 175.900 0.039 0.000 0.995 49 Y CA -0.735 57.368 58.100 0.004 0.000 1.201 49 Y CB 0.890 39.342 38.460 -0.014 0.000 1.151 49 Y HN 0.281 nan 8.280 nan 0.000 0.517 50 E N 4.720 124.997 120.200 0.127 0.000 2.324 50 E HA 0.025 4.374 4.350 -0.001 0.000 0.271 50 E C -1.142 175.551 176.600 0.155 0.000 1.028 50 E CA -0.347 56.125 56.400 0.120 0.000 0.890 50 E CB 0.433 30.164 29.700 0.051 0.000 1.004 50 E HN 0.588 nan 8.360 nan 0.000 0.431 51 F N 6.639 126.621 119.950 0.054 0.000 2.427 51 F HA 0.345 4.872 4.527 -0.001 0.000 0.352 51 F C -0.252 175.567 175.800 0.033 0.000 1.100 51 F CA -0.526 57.502 58.000 0.046 0.000 1.191 51 F CB 0.432 39.459 39.000 0.045 0.000 1.128 51 F HN 0.362 nan 8.300 nan 0.000 0.533 52 I N 2.184 122.324 120.570 -0.716 0.000 2.785 52 I HA 0.507 4.676 4.170 -0.001 0.000 0.302 52 I C -0.858 174.897 176.117 -0.603 0.000 1.069 52 I CA -0.970 60.089 61.300 -0.402 0.000 1.045 52 I CB 1.901 39.777 38.000 -0.207 0.000 1.236 52 I HN 0.441 nan 8.210 nan 0.000 0.429 53 S N 2.744 118.350 115.700 -0.157 0.000 2.475 53 S HA 0.666 5.136 4.470 -0.001 0.000 0.281 53 S C -0.587 173.951 174.600 -0.103 0.000 1.198 53 S CA -0.359 57.798 58.200 -0.071 0.000 1.063 53 S CB 0.734 63.983 63.200 0.082 0.000 0.972 53 S HN 0.439 nan 8.310 nan 0.000 0.486 54 V N 5.877 125.726 119.914 -0.109 0.000 2.686 54 V HA 0.498 4.617 4.120 -0.001 0.000 0.306 54 V C -0.146 175.772 176.094 -0.293 0.000 1.065 54 V CA -0.677 61.517 62.300 -0.175 0.000 0.894 54 V CB 2.146 33.885 31.823 -0.141 0.000 1.004 54 V HN 0.766 nan 8.190 nan 0.000 0.424 55 K N 1.780 121.913 120.400 -0.444 0.000 2.450 55 K HA 0.376 4.695 4.320 -0.001 0.000 0.206 55 K C 0.254 176.373 176.600 -0.802 0.000 1.148 55 K CA 0.465 56.483 56.287 -0.450 0.000 1.014 55 K CB 1.008 33.398 32.500 -0.183 0.000 0.966 55 K HN 0.867 nan 8.250 nan 0.000 0.566 56 S N -1.820 113.319 115.700 -0.936 0.000 2.567 56 S HA 0.196 4.665 4.470 -0.001 0.000 0.270 56 S C 0.636 175.004 174.600 -0.386 0.000 1.152 56 S CA -0.685 57.163 58.200 -0.587 0.000 0.835 56 S CB 1.648 64.709 63.200 -0.232 0.000 1.115 56 S HN -0.046 nan 8.310 nan 0.000 0.459 57 Q N 1.618 121.378 119.800 -0.067 0.000 2.096 57 Q HA -0.102 4.237 4.340 -0.001 0.000 0.204 57 Q C 2.057 178.055 176.000 -0.002 0.000 0.982 57 Q CA 2.638 58.474 55.803 0.056 0.000 0.850 57 Q CB -0.662 28.149 28.738 0.120 0.000 0.901 57 Q HN 0.818 nan 8.270 nan 0.000 0.422 58 S N -0.440 115.248 115.700 -0.020 0.000 2.374 58 S HA -0.106 4.364 4.470 -0.001 0.000 0.227 58 S C 0.939 175.524 174.600 -0.026 0.000 1.037 58 S CA 0.684 58.880 58.200 -0.007 0.000 1.024 58 S CB -0.652 62.541 63.200 -0.012 0.000 0.861 58 S HN 0.599 nan 8.310 nan 0.000 0.456 62 A N 0.746 123.598 122.820 0.054 0.000 1.877 62 A HA -0.229 4.091 4.320 -0.001 0.000 0.216 62 A C 1.691 179.215 177.584 -0.100 0.000 1.186 62 A CA 2.544 54.551 52.037 -0.050 0.000 0.620 62 A CB -0.723 18.246 19.000 -0.053 0.000 0.822 62 A HN 0.556 nan 8.150 nan 0.000 0.443 63 N N 0.113 118.775 118.700 -0.065 0.000 2.104 63 N HA -0.149 4.591 4.740 -0.001 0.000 0.190 63 N C 1.473 176.942 175.510 -0.069 0.000 1.024 63 N CA 1.963 54.968 53.050 -0.075 0.000 0.853 63 N CB -0.428 38.016 38.487 -0.072 0.000 1.008 63 N HN 0.161 nan 8.380 nan 0.000 0.424 64 V N 1.040 120.944 119.914 -0.016 0.000 2.282 64 V HA -0.243 3.876 4.120 -0.001 0.000 0.249 64 V C 2.634 178.708 176.094 -0.033 0.000 1.057 64 V CA 1.829 64.152 62.300 0.039 0.000 1.032 64 V CB -0.657 31.264 31.823 0.164 0.000 0.645 64 V HN 0.389 nan 8.190 nan 0.000 0.447 65 R N -0.268 120.078 120.500 -0.257 0.000 2.112 65 R HA -0.276 4.064 4.340 -0.001 0.000 0.242 65 R C 2.449 178.499 176.300 -0.417 0.000 1.137 65 R CA 2.442 58.019 56.100 -0.871 0.000 0.944 65 R CB -0.421 29.096 30.300 -1.306 0.000 0.857 65 R HN 0.718 nan 8.270 nan 0.000 0.435 66 E N -0.304 119.735 120.200 -0.268 0.000 2.058 66 E HA -0.237 4.112 4.350 -0.001 0.000 0.194 66 E C 1.970 178.497 176.600 -0.122 0.000 0.997 66 E CA 1.345 57.641 56.400 -0.174 0.000 0.801 66 E CB 0.149 29.771 29.700 -0.130 0.000 0.746 66 E HN 0.287 nan 8.360 nan 0.000 0.450 67 Q N 0.364 120.107 119.800 -0.094 0.000 2.016 67 Q HA -0.112 4.228 4.340 -0.001 0.000 0.200 67 Q C 2.517 178.499 176.000 -0.030 0.000 0.978 67 Q CA 1.094 56.863 55.803 -0.057 0.000 0.833 67 Q CB -0.483 28.227 28.738 -0.046 0.000 0.895 67 Q HN 0.406 nan 8.270 nan 0.000 0.427 68 L N 0.680 121.906 121.223 0.005 0.000 2.046 68 L HA -0.227 4.113 4.340 -0.001 0.000 0.208 68 L C 2.587 179.469 176.870 0.019 0.000 1.077 68 L CA 1.251 56.127 54.840 0.060 0.000 0.747 68 L CB -0.561 41.597 42.059 0.165 0.000 0.896 68 L HN 0.300 nan 8.230 nan 0.000 0.432 69 Q N -0.028 119.754 119.800 -0.030 0.000 2.061 69 Q HA -0.213 4.127 4.340 -0.001 0.000 0.204 69 Q C 2.092 178.037 176.000 -0.091 0.000 0.984 69 Q CA 1.677 57.423 55.803 -0.095 0.000 0.846 69 Q CB -0.206 28.453 28.738 -0.132 0.000 0.902 69 Q HN 0.506 nan 8.270 nan 0.000 0.421 70 N N 0.920 119.574 118.700 -0.077 0.000 2.018 70 N HA -0.173 4.567 4.740 -0.001 0.000 0.196 70 N C 1.742 177.219 175.510 -0.056 0.000 1.043 70 N CA 0.938 53.947 53.050 -0.068 0.000 0.856 70 N CB -0.616 37.833 38.487 -0.063 0.000 1.042 70 N HN 0.167 nan 8.380 nan 0.000 0.423 71 L N 0.902 122.102 121.223 -0.038 0.000 2.051 71 L HA -0.187 4.153 4.340 -0.001 0.000 0.214 71 L C 0.986 177.838 176.870 -0.031 0.000 1.076 71 L CA 1.551 56.375 54.840 -0.027 0.000 0.758 71 L CB -0.236 41.830 42.059 0.012 0.000 0.890 71 L HN 0.321 nan 8.230 nan 0.000 0.433 72 N N -0.917 117.771 118.700 -0.021 0.000 2.205 72 N HA 0.050 4.789 4.740 -0.001 0.000 0.201 72 N C 0.942 176.420 175.510 -0.054 0.000 1.128 72 N CA 0.891 53.936 53.050 -0.007 0.000 0.867 72 N CB 0.874 39.387 38.487 0.042 0.000 0.996 72 N HN 0.388 nan 8.380 nan 0.000 0.503 73 G N 1.277 110.029 108.800 -0.080 0.000 2.256 73 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.272 73 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.272 73 G C -0.541 174.282 174.900 -0.129 0.000 1.076 73 G CA 0.396 45.439 45.100 -0.094 0.000 0.882 73 G HN 0.278 nan 8.290 nan 0.000 0.497 74 V N -1.068 118.745 119.914 -0.169 0.000 3.098 74 V HA 0.613 4.733 4.120 -0.001 0.000 0.294 74 V C -0.725 175.190 176.094 -0.298 0.000 1.351 74 V CA -0.526 61.631 62.300 -0.238 0.000 0.999 74 V CB 2.495 34.160 31.823 -0.263 0.000 1.104 74 V HN 0.715 nan 8.190 nan 0.000 0.438 75 V N 5.777 125.534 119.914 -0.262 0.000 2.409 75 V HA 0.544 4.664 4.120 -0.001 0.000 0.291 75 V C -0.466 175.542 176.094 -0.143 0.000 1.020 75 V CA -0.580 61.599 62.300 -0.203 0.000 0.848 75 V CB 1.453 33.219 31.823 -0.096 0.000 0.990 75 V HN 0.664 nan 8.190 nan 0.000 0.430 76 F N 4.164 124.144 119.950 0.050 0.000 2.443 76 F HA 0.292 4.818 4.527 -0.001 0.000 0.353 76 F C 1.351 177.210 175.800 0.099 0.000 1.101 76 F CA -0.180 57.895 58.000 0.126 0.000 1.226 76 F CB 0.569 39.624 39.000 0.093 0.000 1.140 76 F HN 0.668 nan 8.300 nan 0.000 0.557 77 N N 1.411 120.311 118.700 0.332 0.000 2.317 77 N HA -0.015 4.725 4.740 -0.001 0.000 0.245 77 N C -0.143 175.523 175.510 0.259 0.000 1.294 77 N CA -0.585 52.604 53.050 0.232 0.000 0.924 77 N CB 0.706 39.306 38.487 0.189 0.000 1.186 77 N HN 0.512 nan 8.380 nan 0.000 0.495 78 D N -0.126 120.387 120.400 0.188 0.000 2.183 78 D HA -0.120 4.519 4.640 -0.001 0.000 0.203 78 D C 1.885 178.310 176.300 0.208 0.000 0.969 78 D CA 0.946 55.066 54.000 0.199 0.000 0.842 78 D CB -0.340 40.540 40.800 0.133 0.000 0.957 78 D HN 0.590 nan 8.370 nan 0.000 0.484 79 S N 0.176 115.979 115.700 0.172 0.000 2.383 79 S HA -0.146 4.324 4.470 -0.001 0.000 0.227 79 S C 1.693 176.397 174.600 0.172 0.000 1.026 79 S CA 1.031 59.316 58.200 0.142 0.000 0.981 79 S CB -0.035 63.234 63.200 0.116 0.000 0.818 79 S HN 0.198 nan 8.310 nan 0.000 0.472 80 E N 0.097 120.448 120.200 0.252 0.000 2.072 80 E HA -0.125 4.225 4.350 -0.001 0.000 0.191 80 E C 1.823 178.554 176.600 0.219 0.000 0.985 80 E CA 1.146 57.758 56.400 0.354 0.000 0.801 80 E CB -0.333 29.663 29.700 0.494 0.000 0.750 80 E HN 0.759 nan 8.360 nan 0.000 0.452 81 W N 2.284 123.555 121.300 -0.048 0.000 2.409 81 W HA -0.127 4.533 4.660 -0.001 0.000 0.299 81 W C 2.186 178.634 176.519 -0.118 0.000 1.203 81 W CA 0.989 58.151 57.345 -0.304 0.000 1.298 81 W CB -0.117 29.211 29.460 -0.221 0.000 1.127 81 W HN -0.031 nan 8.180 nan 0.000 0.528 82 R N 0.874 121.341 120.500 -0.055 0.000 2.103 82 R HA -0.264 4.075 4.340 -0.001 0.000 0.242 82 R C 2.477 178.687 176.300 -0.149 0.000 1.142 82 R CA 2.212 58.234 56.100 -0.131 0.000 0.960 82 R CB -0.526 29.773 30.300 -0.003 0.000 0.858 82 R HN 0.141 nan 8.270 nan 0.000 0.439 83 R N -0.697 119.784 120.500 -0.031 0.000 2.057 83 R HA -0.136 4.203 4.340 -0.001 0.000 0.229 83 R C 2.164 178.486 176.300 0.036 0.000 1.136 83 R CA 1.587 57.709 56.100 0.038 0.000 0.952 83 R CB -0.503 29.888 30.300 0.153 0.000 0.848 83 R HN 0.220 nan 8.270 nan 0.000 0.430 84 F N 1.293 121.148 119.950 -0.158 0.000 2.087 84 F HA -0.306 4.220 4.527 -0.001 0.000 0.299 84 F C 2.049 177.580 175.800 -0.449 0.000 1.100 84 F CA 2.374 60.136 58.000 -0.397 0.000 1.226 84 F CB -0.635 37.749 39.000 -1.025 0.000 0.983 84 F HN 0.023 nan 8.300 nan 0.000 0.479 85 T N -0.338 113.841 114.554 -0.624 0.000 2.708 85 T HA -0.203 4.146 4.350 -0.001 0.000 0.266 85 T C 1.741 176.212 174.700 -0.381 0.000 1.037 85 T CA 1.826 63.554 62.100 -0.620 0.000 1.146 85 T CB -0.327 68.162 68.868 -0.631 0.000 0.865 85 T HN 0.350 nan 8.240 nan 0.000 0.435 86 E N 0.460 120.501 120.200 -0.265 0.000 2.274 86 E HA -0.037 4.313 4.350 -0.001 0.000 0.194 86 E C 2.281 178.793 176.600 -0.147 0.000 0.996 86 E CA 0.700 56.999 56.400 -0.168 0.000 0.840 86 E CB 0.091 29.725 29.700 -0.110 0.000 0.772 86 E HN 0.505 nan 8.360 nan 0.000 0.491 87 Q N -1.816 117.893 119.800 -0.152 0.000 2.378 87 Q HA 0.034 4.374 4.340 -0.001 0.000 0.229 87 Q C 0.703 176.658 176.000 -0.076 0.000 0.882 87 Q CA 0.322 56.073 55.803 -0.086 0.000 0.936 87 Q CB 0.651 29.376 28.738 -0.021 0.000 1.092 87 Q HN 0.253 nan 8.270 nan 0.000 0.535 88 Y N -0.662 119.404 120.300 -0.390 0.000 3.116 88 Y HA 0.153 4.703 4.550 -0.000 0.000 0.220 88 Y C 1.565 177.190 175.900 -0.457 0.000 0.965 88 Y CA -0.115 57.718 58.100 -0.445 0.000 1.476 88 Y CB -0.158 37.939 38.460 -0.605 0.000 1.493 88 Y HN -0.123 nan 8.280 nan 0.000 0.423 89 L N 0.522 121.318 121.223 -0.713 0.000 2.012 89 L HA -0.166 4.174 4.340 -0.001 0.000 0.210 89 L C 0.184 176.908 176.870 -0.243 0.000 1.073 89 L CA 2.852 57.389 54.840 -0.504 0.000 0.748 89 L CB -0.133 41.620 42.059 -0.510 0.000 0.891 89 L HN 0.450 nan 8.230 nan 0.000 0.431 90 D N -1.078 119.165 120.400 -0.262 0.000 2.996 90 D HA 0.074 4.713 4.640 -0.001 0.000 0.343 90 D C -0.361 175.847 176.300 -0.154 0.000 1.574 90 D CA -0.342 53.566 54.000 -0.153 0.000 0.773 90 D CB 0.006 40.733 40.800 -0.122 0.000 1.241 90 D HN 0.149 nan 8.370 nan 0.000 0.469 91 N N 1.597 120.193 118.700 -0.175 0.000 2.217 91 N HA -0.075 4.664 4.740 -0.001 0.000 0.268 91 N C -1.738 173.711 175.510 -0.103 0.000 1.290 91 N CA -0.435 52.536 53.050 -0.131 0.000 0.831 91 N CB 0.911 39.322 38.487 -0.127 0.000 1.057 91 N HN 0.172 nan 8.380 nan 0.000 0.481 92 P HA -0.168 nan 4.420 nan 0.000 0.218 92 P C 1.199 178.465 177.300 -0.056 0.000 1.146 92 P CA 1.309 64.375 63.100 -0.058 0.000 0.813 92 P CB 0.191 31.863 31.700 -0.045 0.000 0.778 93 S N -3.389 112.274 115.700 -0.062 0.000 2.535 93 S HA 0.077 4.547 4.470 -0.001 0.000 0.214 93 S C 0.596 175.157 174.600 -0.065 0.000 0.980 93 S CA -0.358 57.810 58.200 -0.053 0.000 0.907 93 S CB -0.703 62.471 63.200 -0.043 0.000 0.790 93 S HN -0.039 nan 8.310 nan 0.000 0.510 94 D N 2.340 122.684 120.400 -0.093 0.000 2.506 94 D HA 0.484 5.124 4.640 -0.001 0.000 0.234 94 D C 0.606 176.843 176.300 -0.105 0.000 1.143 94 D CA 0.945 54.873 54.000 -0.120 0.000 0.871 94 D CB 0.774 41.461 40.800 -0.187 0.000 1.190 94 D HN 0.438 nan 8.370 nan 0.000 0.459 95 G N 0.504 109.245 108.800 -0.098 0.000 3.016 95 G HA2 0.385 4.345 3.960 -0.001 0.000 0.270 95 G HA3 0.385 4.345 3.960 -0.001 0.000 0.270 95 G C 1.233 176.067 174.900 -0.111 0.000 1.352 95 G CA -0.686 44.366 45.100 -0.079 0.000 1.060 95 G HN 0.458 nan 8.290 nan 0.000 0.538 96 I N -0.096 120.432 120.570 -0.069 0.000 2.145 96 I HA -0.233 3.937 4.170 -0.001 0.000 0.244 96 I C 2.671 178.731 176.117 -0.095 0.000 1.075 96 I CA 1.187 62.441 61.300 -0.078 0.000 1.332 96 I CB -0.208 37.792 38.000 0.001 0.000 1.033 96 I HN 0.290 nan 8.210 nan 0.000 0.410 97 L N 0.066 121.271 121.223 -0.029 0.000 2.127 97 L HA -0.247 4.093 4.340 -0.001 0.000 0.211 97 L C 2.153 178.991 176.870 -0.055 0.000 1.089 97 L CA 1.287 56.140 54.840 0.022 0.000 0.757 97 L CB -0.797 41.324 42.059 0.103 0.000 0.899 97 L HN 0.373 nan 8.230 nan 0.000 0.434 98 D N 0.017 120.354 120.400 -0.105 0.000 2.103 98 D HA -0.132 4.507 4.640 -0.001 0.000 0.199 98 D C 2.121 178.262 176.300 -0.264 0.000 0.978 98 D CA 0.908 54.820 54.000 -0.146 0.000 0.829 98 D CB -0.013 40.699 40.800 -0.147 0.000 0.981 98 D HN 0.195 nan 8.370 nan 0.000 0.464 99 K N 0.763 120.922 120.400 -0.401 0.000 2.063 99 K HA -0.083 4.236 4.320 -0.001 0.000 0.208 99 K C 2.176 178.545 176.600 -0.385 0.000 1.048 99 K CA 0.938 56.843 56.287 -0.635 0.000 0.928 99 K CB -1.195 30.687 32.500 -1.030 0.000 0.713 99 K HN 0.147 nan 8.250 nan 0.000 0.442 100 T N 1.178 115.530 114.554 -0.338 0.000 2.788 100 T HA -0.130 4.219 4.350 -0.001 0.000 0.268 100 T C 1.971 176.327 174.700 -0.573 0.000 1.044 100 T CA 1.364 63.231 62.100 -0.388 0.000 1.139 100 T CB -0.069 68.496 68.868 -0.506 0.000 0.867 100 T HN 0.315 nan 8.240 nan 0.000 0.454 101 R N 1.131 121.324 120.500 -0.511 0.000 2.075 101 R HA -0.036 4.304 4.340 -0.001 0.000 0.232 101 R C 2.267 178.512 176.300 -0.092 0.000 1.126 101 R CA 1.325 57.264 56.100 -0.267 0.000 0.963 101 R CB -0.036 30.269 30.300 0.008 0.000 0.858 101 R HN 0.284 nan 8.270 nan 0.000 0.435 102 K N 0.137 120.466 120.400 -0.118 0.000 2.025 102 K HA -0.078 4.241 4.320 -0.001 0.000 0.207 102 K C 2.056 178.689 176.600 0.055 0.000 1.049 102 K CA 1.200 57.470 56.287 -0.028 0.000 0.933 102 K CB -0.049 32.366 32.500 -0.142 0.000 0.714 102 K HN 0.135 nan 8.250 nan 0.000 0.438 103 I N 0.777 121.322 120.570 -0.043 0.000 2.163 103 I HA -0.254 3.916 4.170 -0.001 0.000 0.243 103 I C 1.791 177.726 176.117 -0.303 0.000 1.085 103 I CA 1.953 63.146 61.300 -0.178 0.000 1.347 103 I CB -1.029 36.770 38.000 -0.335 0.000 1.044 103 I HN 0.264 nan 8.210 nan 0.000 0.408 104 H N -1.233 117.799 119.070 -0.063 0.000 2.582 104 H HA 0.265 4.820 4.556 -0.001 0.000 0.269 104 H C 1.951 177.355 175.328 0.127 0.000 0.962 104 H CA 0.591 56.624 56.048 -0.025 0.000 1.230 104 H CB 0.814 30.543 29.762 -0.055 0.000 1.445 104 H HN 0.206 nan 8.280 nan 0.000 0.528 105 I N -0.930 119.806 120.570 0.277 0.000 3.746 105 I HA 0.003 4.172 4.170 -0.001 0.000 0.262 105 I C 0.108 176.391 176.117 0.277 0.000 1.153 105 I CA 0.062 61.537 61.300 0.292 0.000 1.395 105 I CB 0.654 38.801 38.000 0.244 0.000 1.589 105 I HN -0.049 nan 8.210 nan 0.000 0.441 106 D N 1.832 122.354 120.400 0.202 0.000 3.134 106 D HA 0.070 4.710 4.640 -0.001 0.000 0.248 106 D C 0.467 176.888 176.300 0.201 0.000 1.273 106 D CA -0.027 54.056 54.000 0.138 0.000 0.904 106 D CB -0.018 40.865 40.800 0.137 0.000 1.089 106 D HN 0.460 nan 8.370 nan 0.000 0.478 107 Y N -1.122 119.237 120.300 0.099 0.000 2.529 107 Y HA 0.315 4.865 4.550 -0.000 0.000 0.290 107 Y C 0.334 176.291 175.900 0.095 0.000 1.177 107 Y CA -0.486 57.695 58.100 0.135 0.000 1.305 107 Y CB -0.293 38.210 38.460 0.072 0.000 1.047 107 Y HN -0.091 nan 8.280 nan 0.000 0.522 108 I N 1.454 121.786 120.570 -0.396 0.000 2.389 108 I HA 0.215 4.385 4.170 -0.001 0.000 0.288 108 I C -0.829 175.055 176.117 -0.389 0.000 0.999 108 I CA -0.954 60.031 61.300 -0.525 0.000 1.129 108 I CB 1.445 38.950 38.000 -0.827 0.000 1.288 108 I HN 0.183 nan 8.210 nan 0.000 0.444 109 C N 7.368 126.366 119.300 -0.504 0.000 2.239 109 C HA 0.323 4.782 4.460 -0.001 0.000 0.325 109 C C 0.102 174.973 174.990 -0.199 0.000 1.231 109 C CA -0.844 57.801 59.018 -0.620 0.000 1.652 109 C CB -0.525 26.461 27.740 -1.257 0.000 2.284 109 C HN 0.768 nan 8.230 nan 0.000 0.499 110 D N 4.764 125.090 120.400 -0.123 0.000 2.359 110 D HA 0.132 4.772 4.640 -0.001 0.000 0.250 110 D C -0.603 175.755 176.300 0.096 0.000 1.264 110 D CA -0.111 53.888 54.000 -0.002 0.000 0.911 110 D CB 0.242 41.024 40.800 -0.030 0.000 1.056 110 D HN 0.456 nan 8.370 nan 0.000 0.499 111 F N 2.443 122.406 119.950 0.022 0.000 2.421 111 F HA 0.463 4.990 4.527 0.000 0.000 0.337 111 F C -0.583 175.270 175.800 0.089 0.000 1.105 111 F CA -1.503 56.511 58.000 0.023 0.000 1.049 111 F CB 1.316 40.323 39.000 0.011 0.000 1.139 111 F HN 0.359 nan 8.300 nan 0.000 0.479 112 I N 6.799 126.967 120.570 -0.671 0.000 2.362 112 I HA 0.375 4.544 4.170 -0.001 0.000 0.289 112 I C -1.220 174.589 176.117 -0.513 0.000 0.994 112 I CA -0.353 60.748 61.300 -0.332 0.000 1.158 112 I CB 0.279 38.169 38.000 -0.183 0.000 1.315 112 I HN 0.440 nan 8.210 nan 0.000 0.451 113 F N 5.069 124.910 119.950 -0.182 0.000 2.373 113 F HA 0.219 4.745 4.527 -0.001 0.000 0.302 113 F C 1.566 177.354 175.800 -0.021 0.000 1.247 113 F CA -0.153 57.848 58.000 0.001 0.000 1.169 113 F CB 0.148 39.224 39.000 0.127 0.000 1.309 113 F HN 0.478 nan 8.300 nan 0.000 0.537 114 D N -0.067 120.481 120.400 0.247 0.000 2.218 114 D HA -0.132 4.507 4.640 -0.001 0.000 0.204 114 D C 1.409 177.772 176.300 0.105 0.000 0.976 114 D CA 1.387 55.467 54.000 0.133 0.000 0.853 114 D CB -0.344 40.540 40.800 0.141 0.000 0.939 114 D HN 0.513 nan 8.370 nan 0.000 0.481 115 D N -0.499 119.981 120.400 0.134 0.000 2.349 115 D HA -0.018 4.622 4.640 -0.001 0.000 0.214 115 D C 0.411 176.743 176.300 0.055 0.000 1.063 115 D CA 0.064 54.106 54.000 0.070 0.000 0.847 115 D CB -0.001 40.831 40.800 0.054 0.000 0.933 115 D HN 0.182 nan 8.370 nan 0.000 0.513 116 E N -0.439 119.808 120.200 0.077 0.000 3.898 116 E HA -0.187 4.163 4.350 -0.001 0.000 0.328 116 E C -0.094 176.535 176.600 0.048 0.000 0.770 116 E CA 0.293 56.719 56.400 0.044 0.000 1.267 116 E CB -0.669 29.043 29.700 0.018 0.000 1.646 116 E HN 0.641 nan 8.360 nan 0.000 0.420 117 R N 0.786 121.329 120.500 0.071 0.000 2.543 117 R HA 0.536 4.875 4.340 -0.001 0.000 0.268 117 R C -0.349 176.030 176.300 0.132 0.000 1.067 117 R CA -0.630 55.491 56.100 0.035 0.000 1.142 117 R CB 0.971 31.226 30.300 -0.074 0.000 1.110 117 R HN 0.068 nan 8.270 nan 0.000 0.549 118 L N 1.604 122.879 121.223 0.087 0.000 2.362 118 L HA 0.513 4.853 4.340 -0.001 0.000 0.275 118 L C -1.150 175.806 176.870 0.144 0.000 0.998 118 L CA -0.343 54.578 54.840 0.134 0.000 0.820 118 L CB 1.721 43.815 42.059 0.059 0.000 1.270 118 L HN 0.926 nan 8.230 nan 0.000 0.415 119 E N 3.601 123.962 120.200 0.268 0.000 2.335 119 E HA 0.299 4.649 4.350 -0.001 0.000 0.280 119 E C -1.192 175.543 176.600 0.225 0.000 0.918 119 E CA -0.844 55.690 56.400 0.224 0.000 0.765 119 E CB 2.149 31.993 29.700 0.241 0.000 1.218 119 E HN 0.529 nan 8.360 nan 0.000 0.425 120 N N 2.719 121.499 118.700 0.132 0.000 2.430 120 N HA 0.196 4.936 4.740 -0.001 0.000 0.265 120 N C -0.538 175.031 175.510 0.099 0.000 1.100 120 N CA 0.066 53.142 53.050 0.043 0.000 0.961 120 N CB 0.723 39.198 38.487 -0.019 0.000 1.075 120 N HN 0.364 nan 8.380 nan 0.000 0.478 121 I N 3.900 124.489 120.570 0.031 0.000 2.330 121 I HA 0.191 4.361 4.170 -0.001 0.000 0.286 121 I C -0.202 175.960 176.117 0.076 0.000 1.025 121 I CA -0.640 60.722 61.300 0.104 0.000 1.197 121 I CB -0.462 37.587 38.000 0.081 0.000 1.358 121 I HN 0.254 nan 8.210 nan 0.000 0.467 122 Y N 5.412 125.770 120.300 0.097 0.000 2.316 122 Y HA 0.245 4.794 4.550 -0.001 0.000 0.331 122 Y C 1.397 177.423 175.900 0.211 0.000 1.083 122 Y CA -0.223 57.969 58.100 0.154 0.000 1.206 122 Y CB 1.411 39.957 38.460 0.143 0.000 1.195 122 Y HN 0.439 nan 8.280 nan 0.000 0.497 123 L N 3.188 124.653 121.223 0.404 0.000 2.131 123 L HA 0.012 4.352 4.340 -0.001 0.000 0.206 123 L C -0.119 176.875 176.870 0.207 0.000 1.087 123 L CA 0.897 55.914 54.840 0.296 0.000 0.767 123 L CB 0.019 42.232 42.059 0.257 0.000 0.917 123 L HN 0.462 nan 8.230 nan 0.000 0.441 124 I N -0.611 120.125 120.570 0.276 0.000 2.582 124 I HA 0.231 4.401 4.170 -0.001 0.000 0.292 124 I C -0.820 175.422 176.117 0.209 0.000 1.066 124 I CA -0.831 60.541 61.300 0.119 0.000 1.053 124 I CB 1.743 39.701 38.000 -0.070 0.000 1.241 124 I HN -0.150 nan 8.210 nan 0.000 0.421 125 D N 5.555 125.995 120.400 0.067 0.000 2.339 125 D HA 0.211 4.850 4.640 -0.001 0.000 0.241 125 D C 0.661 176.946 176.300 -0.025 0.000 1.183 125 D CA 0.024 54.026 54.000 0.003 0.000 0.859 125 D CB 1.178 41.923 40.800 -0.091 0.000 1.067 125 D HN 0.441 nan 8.370 nan 0.000 0.484 126 K N 2.807 123.206 120.400 -0.000 0.000 2.284 126 K HA 0.002 4.322 4.320 -0.001 0.000 0.198 126 K C 1.443 178.021 176.600 -0.037 0.000 1.048 126 K CA 0.235 56.479 56.287 -0.072 0.000 0.987 126 K CB 0.522 32.935 32.500 -0.144 0.000 0.800 126 K HN 0.117 nan 8.250 nan 0.000 0.486 127 K N 1.266 121.663 120.400 -0.005 0.000 2.057 127 K HA -0.049 4.271 4.320 -0.001 0.000 0.206 127 K C 0.661 177.248 176.600 -0.022 0.000 1.050 127 K CA 0.978 57.259 56.287 -0.009 0.000 0.935 127 K CB 0.052 32.549 32.500 -0.004 0.000 0.715 127 K HN 0.031 nan 8.250 nan 0.000 0.439 128 N N 0.842 119.519 118.700 -0.039 0.000 3.012 128 N HA 0.145 4.884 4.740 -0.001 0.000 0.270 128 N C -0.829 174.659 175.510 -0.037 0.000 1.469 128 N CA -0.216 52.812 53.050 -0.035 0.000 0.928 128 N CB 0.295 38.753 38.487 -0.049 0.000 1.219 128 N HN -0.025 nan 8.380 nan 0.000 0.492 132 N N 2.607 121.270 118.700 -0.062 0.000 2.492 132 N HA -0.022 4.718 4.740 -0.001 0.000 0.262 132 N C -0.247 175.214 175.510 -0.081 0.000 1.202 132 N CA 0.463 53.474 53.050 -0.065 0.000 0.926 132 N CB 1.051 39.499 38.487 -0.065 0.000 1.078 132 N HN -0.065 nan 8.380 nan 0.000 0.454 133 K N 1.529 121.884 120.400 -0.075 0.000 2.276 133 K HA 0.232 4.551 4.320 -0.001 0.000 0.283 133 K C -0.782 175.761 176.600 -0.095 0.000 1.044 133 K CA -0.557 55.679 56.287 -0.085 0.000 0.944 133 K CB 0.501 32.961 32.500 -0.067 0.000 1.012 133 K HN 0.362 nan 8.250 nan 0.000 0.472 134 V N 1.302 121.138 119.914 -0.130 0.000 2.555 134 V HA 0.632 4.752 4.120 -0.001 0.000 0.302 134 V C -0.847 175.237 176.094 -0.017 0.000 1.038 134 V CA -0.645 61.593 62.300 -0.103 0.000 0.887 134 V CB 1.464 33.138 31.823 -0.249 0.000 0.991 134 V HN 0.837 nan 8.190 nan 0.000 0.434 135 Q N 3.570 123.411 119.800 0.067 0.000 2.501 135 Q HA 0.781 5.120 4.340 -0.001 0.000 0.288 135 Q C -1.235 174.798 176.000 0.056 0.000 1.051 135 Q CA -0.886 54.951 55.803 0.057 0.000 0.788 135 Q CB 3.300 32.019 28.738 -0.032 0.000 1.469 135 Q HN 0.965 nan 8.270 nan 0.000 0.416 136 I N -1.047 119.520 120.570 -0.005 0.000 2.647 136 I HA 0.733 4.902 4.170 -0.001 0.000 0.295 136 I C -0.678 175.290 176.117 -0.250 0.000 1.078 136 I CA -1.154 60.106 61.300 -0.067 0.000 1.048 136 I CB 1.639 39.638 38.000 -0.001 0.000 1.239 136 I HN 0.654 nan 8.210 nan 0.000 0.421 137 I N 1.823 122.285 120.570 -0.180 0.000 3.108 137 I HA 0.617 4.787 4.170 -0.001 0.000 0.312 137 I C -0.711 175.404 176.117 -0.004 0.000 1.095 137 I CA -0.848 60.305 61.300 -0.245 0.000 1.000 137 I CB 2.173 40.114 38.000 -0.098 0.000 1.229 137 I HN 0.833 nan 8.210 nan 0.000 0.454 138 Q N 1.768 121.618 119.800 0.083 0.000 2.240 138 Q HA 0.334 4.674 4.340 -0.001 0.000 0.260 138 Q C -0.959 175.127 176.000 0.145 0.000 1.018 138 Q CA -0.995 54.906 55.803 0.162 0.000 0.898 138 Q CB 0.974 29.855 28.738 0.239 0.000 1.301 138 Q HN 0.674 nan 8.270 nan 0.000 0.469 139 Q N 1.344 121.187 119.800 0.073 0.000 2.320 139 Q HA -0.023 4.317 4.340 -0.001 0.000 0.311 139 Q C -1.172 174.849 176.000 0.035 0.000 1.083 139 Q CA 0.396 56.177 55.803 -0.036 0.000 1.001 139 Q CB -0.573 28.109 28.738 -0.095 0.000 1.074 139 Q HN 0.553 nan 8.270 nan 0.000 0.379 140 F N -0.221 119.725 119.950 -0.006 0.000 2.458 140 F HA 0.869 5.396 4.527 -0.001 0.000 0.330 140 F C 0.031 175.806 175.800 -0.041 0.000 1.082 140 F CA 0.093 58.087 58.000 -0.011 0.000 0.995 140 F CB 1.378 40.390 39.000 0.019 0.000 1.170 140 F HN 0.934 nan 8.300 nan 0.000 0.478 149 R N 0.739 121.152 120.500 -0.144 0.000 2.603 149 R HA 0.661 5.000 4.340 -0.001 0.000 0.280 149 R C -1.429 174.824 176.300 -0.078 0.000 1.185 149 R CA -0.726 55.342 56.100 -0.054 0.000 1.039 149 R CB -0.449 29.818 30.300 -0.056 0.000 1.247 149 R HN 0.673 nan 8.270 nan 0.000 0.413 150 Y N 1.562 121.854 120.300 -0.014 0.000 2.442 150 Y HA 0.555 5.105 4.550 -0.001 0.000 0.330 150 Y C 0.144 176.054 175.900 0.016 0.000 1.129 150 Y CA 0.251 58.353 58.100 0.005 0.000 1.365 150 Y CB 1.262 39.728 38.460 0.011 0.000 1.233 150 Y HN 0.713 nan 8.280 nan 0.000 0.529 151 D N 0.802 121.292 120.400 0.150 0.000 2.803 151 D HA 0.459 5.099 4.640 -0.001 0.000 0.218 151 D C -1.471 174.897 176.300 0.113 0.000 1.245 151 D CA -0.444 53.624 54.000 0.114 0.000 0.821 151 D CB 2.304 43.136 40.800 0.054 0.000 1.626 151 D HN 0.171 nan 8.370 nan 0.000 0.487 152 V N 1.387 121.368 119.914 0.113 0.000 2.555 152 V HA 0.666 4.786 4.120 -0.001 0.000 0.302 152 V C -0.157 175.974 176.094 0.062 0.000 1.038 152 V CA -0.349 62.007 62.300 0.092 0.000 0.887 152 V CB 2.109 33.981 31.823 0.082 0.000 0.991 152 V HN 0.595 nan 8.190 nan 0.000 0.434 153 T N 5.604 120.188 114.554 0.051 0.000 2.807 153 T HA 0.638 4.987 4.350 -0.001 0.000 0.279 153 T C -0.356 174.313 174.700 -0.052 0.000 0.993 153 T CA -0.216 61.906 62.100 0.036 0.000 0.970 153 T CB 1.332 70.287 68.868 0.145 0.000 0.950 153 T HN 0.357 nan 8.240 nan 0.000 0.441 154 I N 3.611 124.115 120.570 -0.111 0.000 2.325 154 I HA 0.311 4.481 4.170 -0.001 0.000 0.291 154 I C -0.234 175.831 176.117 -0.087 0.000 1.019 154 I CA -0.513 60.711 61.300 -0.126 0.000 1.302 154 I CB 0.706 38.572 38.000 -0.224 0.000 1.401 154 I HN 0.343 nan 8.210 nan 0.000 0.485 155 L N 6.977 128.160 121.223 -0.066 0.000 2.307 155 L HA 0.561 4.901 4.340 -0.001 0.000 0.282 155 L C -0.546 176.283 176.870 -0.068 0.000 1.051 155 L CA -0.914 53.872 54.840 -0.089 0.000 0.804 155 L CB 1.317 43.316 42.059 -0.099 0.000 1.197 155 L HN 0.239 nan 8.230 nan 0.000 0.431 156 V N 2.914 122.771 119.914 -0.094 0.000 2.378 156 V HA 0.249 4.369 4.120 -0.001 0.000 0.288 156 V C 0.069 176.107 176.094 -0.092 0.000 1.016 156 V CA -0.733 61.516 62.300 -0.084 0.000 0.840 156 V CB 1.202 32.972 31.823 -0.089 0.000 0.994 156 V HN 0.880 nan 8.190 nan 0.000 0.431 157 N N 4.362 123.019 118.700 -0.071 0.000 2.708 157 N HA -0.244 4.496 4.740 -0.001 0.000 0.251 157 N C 1.252 176.721 175.510 -0.068 0.000 1.017 157 N CA 1.502 54.519 53.050 -0.055 0.000 0.742 157 N CB -0.964 37.507 38.487 -0.027 0.000 0.943 157 N HN 1.485 nan 8.380 nan 0.000 0.539 158 G N -1.882 106.867 108.800 -0.086 0.000 2.253 158 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.251 158 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.251 158 G C 0.051 174.862 174.900 -0.149 0.000 0.998 158 G CA 0.418 45.460 45.100 -0.096 0.000 0.621 158 G HN 0.405 nan 8.290 nan 0.000 0.524 159 L N 2.558 123.665 121.223 -0.193 0.000 2.312 159 L HA 0.433 4.773 4.340 -0.001 0.000 0.281 159 L C -1.840 174.886 176.870 -0.241 0.000 1.070 159 L CA -2.186 52.475 54.840 -0.298 0.000 0.805 159 L CB 1.238 43.029 42.059 -0.447 0.000 1.174 159 L HN -0.062 nan 8.230 nan 0.000 0.434 160 P HA 0.110 nan 4.420 nan 0.000 0.274 160 P C 0.115 177.329 177.300 -0.143 0.000 1.291 160 P CA 0.072 63.022 63.100 -0.250 0.000 0.815 160 P CB 0.769 32.156 31.700 -0.523 0.000 0.897 161 L N 2.704 123.855 121.223 -0.120 0.000 2.609 161 L HA 0.221 4.560 4.340 -0.001 0.000 0.230 161 L C 0.593 177.385 176.870 -0.130 0.000 1.064 161 L CA 0.212 54.991 54.840 -0.102 0.000 0.873 161 L CB 0.478 42.482 42.059 -0.091 0.000 1.139 161 L HN 0.063 nan 8.230 nan 0.000 0.490 162 V N 0.424 120.262 119.914 -0.126 0.000 2.604 162 V HA 0.397 4.517 4.120 -0.001 0.000 0.305 162 V C -0.575 175.462 176.094 -0.096 0.000 1.043 162 V CA -0.620 61.601 62.300 -0.132 0.000 0.888 162 V CB 2.209 33.971 31.823 -0.102 0.000 0.995 162 V HN 0.074 nan 8.190 nan 0.000 0.429 163 Q N 3.595 123.333 119.800 -0.104 0.000 2.327 163 Q HA 0.560 4.900 4.340 -0.001 0.000 0.270 163 Q C -1.302 174.807 176.000 0.182 0.000 1.022 163 Q CA -0.501 55.346 55.803 0.074 0.000 0.773 163 Q CB 2.468 31.325 28.738 0.198 0.000 1.251 163 Q HN 0.684 nan 8.270 nan 0.000 0.457 164 I N 2.196 122.864 120.570 0.163 0.000 2.304 164 I HA 0.172 4.342 4.170 -0.001 0.000 0.291 164 I C 0.150 176.376 176.117 0.182 0.000 1.018 164 I CA -0.221 61.193 61.300 0.190 0.000 1.260 164 I CB 1.066 39.180 38.000 0.191 0.000 1.390 164 I HN 0.313 nan 8.210 nan 0.000 0.475 165 E N 6.551 126.872 120.200 0.202 0.000 2.130 165 E HA 0.486 4.836 4.350 -0.001 0.000 0.284 165 E C -0.967 175.715 176.600 0.137 0.000 1.018 165 E CA -0.304 56.200 56.400 0.173 0.000 0.817 165 E CB 1.034 30.854 29.700 0.200 0.000 1.078 165 E HN 0.460 nan 8.360 nan 0.000 0.396 166 L N 3.716 125.009 121.223 0.118 0.000 2.309 166 L HA 0.524 4.863 4.340 -0.001 0.000 0.282 166 L C 0.110 177.003 176.870 0.039 0.000 1.036 166 L CA -0.772 54.108 54.840 0.068 0.000 0.806 166 L CB 0.877 42.968 42.059 0.055 0.000 1.220 166 L HN 0.276 nan 8.230 nan 0.000 0.429 167 K N 2.364 122.762 120.400 -0.003 0.000 2.477 167 K HA 0.435 4.754 4.320 -0.001 0.000 0.255 167 K C -0.883 175.677 176.600 -0.068 0.000 0.952 167 K CA -0.981 55.299 56.287 -0.012 0.000 0.826 167 K CB 2.561 35.079 32.500 0.031 0.000 1.331 167 K HN 0.406 nan 8.250 nan 0.000 0.437 168 K N 1.521 121.879 120.400 -0.070 0.000 2.440 168 K HA 0.037 4.356 4.320 -0.001 0.000 0.270 168 K C 1.297 177.856 176.600 -0.067 0.000 0.980 168 K CA -0.111 56.121 56.287 -0.091 0.000 0.953 168 K CB 0.570 33.037 32.500 -0.056 0.000 0.925 168 K HN 0.302 nan 8.250 nan 0.000 0.497 169 R N 1.472 121.922 120.500 -0.082 0.000 2.117 169 R HA -0.144 4.196 4.340 -0.001 0.000 0.243 169 R C 2.059 178.353 176.300 -0.011 0.000 1.143 169 R CA 1.716 57.788 56.100 -0.047 0.000 0.968 169 R CB -1.050 29.229 30.300 -0.035 0.000 0.863 169 R HN 0.950 nan 8.270 nan 0.000 0.444 170 G N 0.712 109.506 108.800 -0.010 0.000 2.475 170 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.220 170 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.220 170 G C 0.644 175.550 174.900 0.010 0.000 1.125 170 G CA 0.422 45.524 45.100 0.003 0.000 0.755 170 G HN 0.158 nan 8.290 nan 0.000 0.565 171 V N 1.481 121.402 119.914 0.012 0.000 2.555 171 V HA 0.500 4.620 4.120 -0.001 0.000 0.286 171 V C 0.808 176.918 176.094 0.026 0.000 1.044 171 V CA -0.649 61.665 62.300 0.024 0.000 1.026 171 V CB 1.028 32.868 31.823 0.028 0.000 0.981 171 V HN 0.434 nan 8.190 nan 0.000 0.480 172 A N 5.545 128.378 122.820 0.021 0.000 2.444 172 A HA 0.299 4.618 4.320 -0.001 0.000 0.273 172 A C 1.205 178.791 177.584 0.003 0.000 1.136 172 A CA -0.133 51.906 52.037 0.002 0.000 0.799 172 A CB -0.203 18.785 19.000 -0.020 0.000 1.081 172 A HN 0.918 nan 8.150 nan 0.000 0.509 173 I N 1.867 122.450 120.570 0.022 0.000 2.264 173 I HA -0.230 3.940 4.170 -0.001 0.000 0.248 173 I C 2.661 178.783 176.117 0.008 0.000 1.111 173 I CA 1.588 62.940 61.300 0.087 0.000 1.382 173 I CB -0.074 38.033 38.000 0.178 0.000 1.060 173 I HN 0.959 nan 8.210 nan 0.000 0.418 174 R N 0.679 120.998 120.500 -0.301 0.000 2.092 174 R HA -0.241 4.098 4.340 -0.001 0.000 0.231 174 R C 2.162 178.312 176.300 -0.250 0.000 1.119 174 R CA 1.759 57.381 56.100 -0.796 0.000 0.970 174 R CB -0.135 29.472 30.300 -1.156 0.000 0.864 174 R HN 0.197 nan 8.270 nan 0.000 0.440 175 E N 0.645 120.786 120.200 -0.097 0.000 2.106 175 E HA -0.093 4.257 4.350 -0.001 0.000 0.192 175 E C 1.646 178.290 176.600 0.074 0.000 0.984 175 E CA 1.629 58.050 56.400 0.035 0.000 0.806 175 E CB -0.172 29.574 29.700 0.077 0.000 0.750 175 E HN 0.434 nan 8.360 nan 0.000 0.458 176 A N 0.110 122.977 122.820 0.078 0.000 1.877 176 A HA -0.123 4.197 4.320 -0.001 0.000 0.216 176 A C 2.255 179.924 177.584 0.142 0.000 1.186 176 A CA 1.393 53.487 52.037 0.095 0.000 0.620 176 A CB -1.131 17.933 19.000 0.107 0.000 0.822 176 A HN 0.478 nan 8.150 nan 0.000 0.443 177 F N 1.672 121.668 119.950 0.077 0.000 2.091 177 F HA -0.294 4.233 4.527 -0.001 0.000 0.299 177 F C 2.065 177.915 175.800 0.084 0.000 1.103 177 F CA 2.222 60.305 58.000 0.138 0.000 1.228 177 F CB -0.227 38.870 39.000 0.160 0.000 0.984 177 F HN 0.231 nan 8.300 nan 0.000 0.477 178 N N 0.503 119.380 118.700 0.295 0.000 2.149 178 N HA -0.223 4.517 4.740 -0.001 0.000 0.188 178 N C 1.761 177.257 175.510 -0.025 0.000 1.019 178 N CA 1.693 54.840 53.050 0.161 0.000 0.857 178 N CB -0.558 38.014 38.487 0.141 0.000 0.997 178 N HN 0.571 nan 8.380 nan 0.000 0.426 179 Q N -0.331 119.440 119.800 -0.049 0.000 2.172 179 Q HA 0.086 4.426 4.340 -0.001 0.000 0.200 179 Q C 1.290 177.164 176.000 -0.210 0.000 0.964 179 Q CA 0.689 56.427 55.803 -0.109 0.000 0.855 179 Q CB 0.302 28.992 28.738 -0.080 0.000 0.918 179 Q HN 0.360 nan 8.270 nan 0.000 0.444 180 I N -0.737 119.631 120.570 -0.337 0.000 4.057 180 I HA 0.126 4.296 4.170 -0.001 0.000 0.334 180 I C 0.528 176.143 176.117 -0.836 0.000 1.308 180 I CA 0.435 61.380 61.300 -0.592 0.000 1.125 180 I CB -0.108 37.453 38.000 -0.733 0.000 1.034 180 I HN 0.124 nan 8.210 nan 0.000 0.401 191 E N 0.613 120.822 120.200 0.015 0.000 2.292 191 E HA 0.749 5.098 4.350 -0.001 0.000 0.258 191 E C -0.265 176.351 176.600 0.027 0.000 1.115 191 E CA -0.625 55.803 56.400 0.046 0.000 0.929 191 E CB 0.374 30.106 29.700 0.052 0.000 1.161 191 E HN 0.784 nan 8.360 nan 0.000 0.453 192 N N -0.381 118.369 118.700 0.083 0.000 2.518 192 N HA 0.215 4.955 4.740 -0.001 0.000 0.283 192 N C 1.057 176.737 175.510 0.283 0.000 1.119 192 N CA 0.362 53.537 53.050 0.209 0.000 0.983 192 N CB 1.209 39.895 38.487 0.331 0.000 1.139 192 N HN 0.536 nan 8.380 nan 0.000 0.465 193 S N 2.221 118.029 115.700 0.180 0.000 2.489 193 S HA -0.021 4.449 4.470 -0.001 0.000 0.228 193 S C 1.586 176.265 174.600 0.132 0.000 0.995 193 S CA 0.398 58.670 58.200 0.121 0.000 0.934 193 S CB -0.186 63.045 63.200 0.052 0.000 0.771 193 S HN 0.523 nan 8.310 nan 0.000 0.522 194 L N -0.377 120.931 121.223 0.142 0.000 2.353 194 L HA 0.055 4.394 4.340 -0.001 0.000 0.220 194 L C 1.666 178.558 176.870 0.037 0.000 1.133 194 L CA 1.016 55.904 54.840 0.079 0.000 0.798 194 L CB -0.551 41.465 42.059 -0.071 0.000 0.922 194 L HN 0.292 nan 8.230 nan 0.000 0.445 195 F N -0.088 119.916 119.950 0.091 0.000 2.748 195 F HA -0.059 4.468 4.527 -0.000 0.000 0.299 195 F C 2.091 177.911 175.800 0.033 0.000 1.154 195 F CA 0.552 58.587 58.000 0.058 0.000 1.446 195 F CB -0.280 38.736 39.000 0.026 0.000 1.112 195 F HN -0.080 nan 8.300 nan 0.000 0.584 196 K N -0.769 119.711 120.400 0.133 0.000 2.360 196 K HA -0.186 4.134 4.320 -0.001 0.000 0.201 196 K C 1.148 177.677 176.600 -0.119 0.000 1.046 196 K CA 1.170 57.448 56.287 -0.016 0.000 0.945 196 K CB -0.291 32.138 32.500 -0.120 0.000 0.750 196 K HN 0.332 nan 8.250 nan 0.000 0.464 197 Y N 0.957 121.212 120.300 -0.073 0.000 2.561 197 Y HA 0.019 4.568 4.550 -0.001 0.000 0.291 197 Y C 0.574 176.402 175.900 -0.121 0.000 1.141 197 Y CA -0.111 57.918 58.100 -0.118 0.000 1.303 197 Y CB -0.031 38.337 38.460 -0.153 0.000 1.015 197 Y HN -0.068 nan 8.280 nan 0.000 0.547 198 L N 1.443 122.675 121.223 0.016 0.000 2.615 198 L HA -0.183 4.156 4.340 -0.001 0.000 0.284 198 L C 1.150 177.940 176.870 -0.134 0.000 1.237 198 L CA 0.198 54.969 54.840 -0.114 0.000 0.905 198 L CB 0.527 42.446 42.059 -0.233 0.000 1.149 198 L HN 0.263 nan 8.230 nan 0.000 0.499 199 Q N 2.725 122.442 119.800 -0.137 0.000 2.394 199 Q HA 0.281 4.621 4.340 -0.001 0.000 0.218 199 Q C -0.410 175.523 176.000 -0.112 0.000 0.907 199 Q CA 0.420 56.186 55.803 -0.062 0.000 0.919 199 Q CB 0.684 29.428 28.738 0.010 0.000 1.051 199 Q HN 0.492 nan 8.270 nan 0.000 0.538 200 L N 0.032 121.102 121.223 -0.255 0.000 2.464 200 L HA 0.482 4.822 4.340 -0.001 0.000 0.266 200 L C -1.623 174.973 176.870 -0.458 0.000 0.965 200 L CA -0.469 54.245 54.840 -0.210 0.000 0.833 200 L CB 1.623 43.652 42.059 -0.049 0.000 1.296 200 L HN -0.151 nan 8.230 nan 0.000 0.405 201 F N 3.856 123.601 119.950 -0.342 0.000 2.480 201 F HA 0.792 5.319 4.527 -0.001 0.000 0.329 201 F C -0.242 175.291 175.800 -0.446 0.000 1.091 201 F CA -0.770 56.895 58.000 -0.559 0.000 0.972 201 F CB 2.198 40.406 39.000 -1.320 0.000 1.150 201 F HN 0.119 nan 8.300 nan 0.000 0.467 202 V N 4.391 124.346 119.914 0.069 0.000 2.709 202 V HA 0.506 4.626 4.120 -0.001 0.000 0.308 202 V C -0.863 175.328 176.094 0.162 0.000 1.062 202 V CA -0.860 61.497 62.300 0.095 0.000 0.901 202 V CB 2.291 34.172 31.823 0.097 0.000 1.003 202 V HN 0.668 nan 8.190 nan 0.000 0.425 203 I N 2.806 123.495 120.570 0.198 0.000 2.647 203 I HA 0.814 4.984 4.170 -0.001 0.000 0.295 203 I C -0.727 175.463 176.117 0.121 0.000 1.078 203 I CA 0.090 61.528 61.300 0.230 0.000 1.048 203 I CB 2.197 40.442 38.000 0.408 0.000 1.239 203 I HN 0.701 nan 8.210 nan 0.000 0.421 204 S N 4.843 120.597 115.700 0.089 0.000 2.543 204 S HA 0.361 4.831 4.470 -0.001 0.000 0.271 204 S C -0.422 174.201 174.600 0.037 0.000 1.148 204 S CA -0.802 57.419 58.200 0.036 0.000 0.914 204 S CB 1.097 64.284 63.200 -0.021 0.000 1.096 204 S HN 0.831 nan 8.310 nan 0.000 0.471 205 N N 2.865 121.586 118.700 0.035 0.000 2.273 205 N HA 0.358 5.098 4.740 -0.001 0.000 0.231 205 N C 1.107 176.607 175.510 -0.016 0.000 1.134 205 N CA -0.040 53.012 53.050 0.004 0.000 0.856 205 N CB 0.641 39.140 38.487 0.020 0.000 1.068 205 N HN 0.914 nan 8.380 nan 0.000 0.510 206 G N 1.116 109.923 108.800 0.012 0.000 2.729 206 G HA2 -0.405 3.555 3.960 -0.001 0.000 0.216 206 G HA3 -0.405 3.555 3.960 -0.001 0.000 0.216 206 G C 1.101 176.100 174.900 0.166 0.000 1.252 206 G CA 0.708 45.853 45.100 0.076 0.000 0.751 206 G HN 0.397 nan 8.290 nan 0.000 0.527 207 T N -0.284 114.342 114.554 0.119 0.000 2.978 207 T HA 0.325 4.675 4.350 -0.001 0.000 0.262 207 T C 0.639 175.401 174.700 0.105 0.000 1.063 207 T CA 1.554 63.726 62.100 0.120 0.000 1.140 207 T CB 0.211 69.135 68.868 0.094 0.000 0.886 207 T HN 0.566 nan 8.240 nan 0.000 0.470 208 D N 0.348 120.800 120.400 0.088 0.000 2.490 208 D HA 0.535 5.175 4.640 -0.001 0.000 0.232 208 D C -1.358 174.972 176.300 0.050 0.000 1.053 208 D CA -0.393 53.659 54.000 0.086 0.000 0.914 208 D CB 2.086 42.945 40.800 0.099 0.000 1.431 208 D HN -0.071 nan 8.370 nan 0.000 0.483 209 T N 2.132 116.698 114.554 0.021 0.000 3.335 209 T HA 0.432 4.782 4.350 -0.001 0.000 0.321 209 T C -0.507 174.144 174.700 -0.083 0.000 0.960 209 T CA -0.739 61.280 62.100 -0.134 0.000 1.034 209 T CB 0.810 69.436 68.868 -0.404 0.000 1.040 209 T HN 0.238 nan 8.240 nan 0.000 0.454 210 R N 1.919 122.426 120.500 0.012 0.000 2.711 210 R HA 0.714 5.053 4.340 -0.001 0.000 0.284 210 R C -1.094 175.349 176.300 0.238 0.000 0.968 210 R CA -1.137 55.030 56.100 0.111 0.000 0.924 210 R CB 1.795 32.126 30.300 0.052 0.000 1.162 210 R HN 0.716 nan 8.270 nan 0.000 0.465 211 Y N 0.158 120.570 120.300 0.186 0.000 2.487 211 Y HA 0.794 5.344 4.550 -0.001 0.000 0.337 211 Y C -0.798 175.314 175.900 0.355 0.000 1.076 211 Y CA -1.739 56.482 58.100 0.201 0.000 1.115 211 Y CB 1.068 39.639 38.460 0.184 0.000 1.235 211 Y HN 0.579 nan 8.280 nan 0.000 0.468 212 F N -0.468 119.638 119.950 0.261 0.000 2.668 212 F HA 0.916 5.443 4.527 -0.001 0.000 0.309 212 F C -0.804 175.170 175.800 0.289 0.000 1.117 212 F CA -1.951 56.154 58.000 0.176 0.000 0.951 212 F CB 0.854 39.939 39.000 0.142 0.000 1.323 212 F HN 0.797 nan 8.300 nan 0.000 0.451 213 A N 1.229 124.273 122.820 0.373 0.000 2.351 213 A HA 0.284 4.603 4.320 -0.001 0.000 0.257 213 A C -0.311 177.477 177.584 0.340 0.000 1.087 213 A CA -0.603 51.589 52.037 0.258 0.000 0.798 213 A CB 0.153 19.277 19.000 0.206 0.000 1.033 213 A HN 0.932 nan 8.150 nan 0.000 0.488 214 N N 1.012 119.845 118.700 0.222 0.000 2.439 214 N HA 0.261 5.001 4.740 -0.001 0.000 0.243 214 N C -0.713 174.931 175.510 0.223 0.000 1.088 214 N CA 0.190 53.420 53.050 0.300 0.000 0.940 214 N CB 0.351 38.880 38.487 0.070 0.000 1.180 214 N HN 0.619 nan 8.380 nan 0.000 0.505 215 T N 0.837 115.536 114.554 0.241 0.000 2.909 215 T HA 0.183 4.532 4.350 -0.001 0.000 0.299 215 T C 1.165 175.947 174.700 0.136 0.000 1.073 215 T CA -0.568 61.628 62.100 0.160 0.000 0.999 215 T CB 1.442 70.380 68.868 0.117 0.000 1.098 215 T HN 0.499 nan 8.240 nan 0.000 0.477 216 T N 0.652 115.269 114.554 0.104 0.000 3.100 216 T HA 0.241 4.591 4.350 -0.001 0.000 0.253 216 T C 0.708 175.439 174.700 0.052 0.000 1.118 216 T CA 0.060 62.207 62.100 0.078 0.000 1.058 216 T CB -0.157 68.750 68.868 0.066 0.000 0.953 216 T HN 0.386 nan 8.240 nan 0.000 0.515 217 K N 2.449 122.873 120.400 0.040 0.000 2.338 217 K HA 0.242 4.561 4.320 -0.001 0.000 0.290 217 K C 1.373 177.963 176.600 -0.017 0.000 1.069 217 K CA -0.472 55.820 56.287 0.008 0.000 0.941 217 K CB 0.466 32.958 32.500 -0.012 0.000 1.023 217 K HN 0.170 nan 8.250 nan 0.000 0.477 218 R N 2.681 123.180 120.500 -0.002 0.000 2.189 218 R HA -0.097 4.243 4.340 -0.001 0.000 0.218 218 R C 0.274 176.541 176.300 -0.055 0.000 1.074 218 R CA 1.696 57.792 56.100 -0.007 0.000 0.991 218 R CB 0.137 30.447 30.300 0.017 0.000 0.883 218 R HN 0.745 nan 8.270 nan 0.000 0.457 219 D N -0.176 120.190 120.400 -0.058 0.000 2.324 219 D HA -0.065 4.574 4.640 -0.001 0.000 0.235 219 D C 0.209 176.316 176.300 -0.321 0.000 1.095 219 D CA 0.330 54.255 54.000 -0.126 0.000 0.871 219 D CB 0.251 41.117 40.800 0.110 0.000 0.906 219 D HN 0.058 nan 8.370 nan 0.000 0.522 220 K N -0.131 120.036 120.400 -0.389 0.000 2.478 220 K HA 0.178 4.497 4.320 -0.001 0.000 0.205 220 K C 0.299 176.612 176.600 -0.477 0.000 1.033 220 K CA -0.210 55.586 56.287 -0.819 0.000 1.091 220 K CB 0.564 32.734 32.500 -0.551 0.000 0.844 220 K HN -0.032 nan 8.250 nan 0.000 0.507 221 N N 0.931 119.528 118.700 -0.173 0.000 2.205 221 N HA -0.013 4.727 4.740 -0.001 0.000 0.201 221 N C 0.091 175.726 175.510 0.208 0.000 1.128 221 N CA 0.009 53.086 53.050 0.045 0.000 0.867 221 N CB 0.641 39.156 38.487 0.047 0.000 0.996 221 N HN 0.146 nan 8.380 nan 0.000 0.503 222 S N -0.946 114.861 115.700 0.179 0.000 2.632 222 S HA 0.151 4.621 4.470 -0.001 0.000 0.267 222 S C 1.166 175.733 174.600 -0.055 0.000 1.276 222 S CA -0.642 57.664 58.200 0.176 0.000 0.998 222 S CB 0.622 63.880 63.200 0.095 0.000 0.953 222 S HN 0.113 nan 8.310 nan 0.000 0.547 223 F N 1.603 121.236 119.950 -0.529 0.000 2.236 223 F HA -0.137 4.390 4.527 -0.001 0.000 0.302 223 F C 1.295 176.782 175.800 -0.522 0.000 1.073 223 F CA 1.908 59.319 58.000 -0.981 0.000 1.336 223 F CB -0.769 37.797 39.000 -0.724 0.000 1.040 223 F HN 0.666 nan 8.300 nan 0.000 0.507 224 D N -0.714 119.511 120.400 -0.291 0.000 2.265 224 D HA -0.211 4.429 4.640 -0.001 0.000 0.208 224 D C 1.542 177.493 176.300 -0.582 0.000 0.977 224 D CA 1.365 55.111 54.000 -0.424 0.000 0.871 224 D CB -0.479 40.067 40.800 -0.423 0.000 0.925 224 D HN 0.357 nan 8.370 nan 0.000 0.485 225 F N 0.151 119.900 119.950 -0.335 0.000 2.693 225 F HA 0.160 4.686 4.527 -0.001 0.000 0.303 225 F C 1.385 177.016 175.800 -0.282 0.000 1.097 225 F CA -0.198 57.662 58.000 -0.234 0.000 1.330 225 F CB -0.220 38.710 39.000 -0.115 0.000 1.067 225 F HN -0.182 nan 8.300 nan 0.000 0.565 229 W N 1.891 123.447 121.300 0.426 0.000 2.184 229 W HA 0.667 5.326 4.660 -0.001 0.000 0.338 229 W C -0.503 176.075 176.519 0.098 0.000 1.257 229 W CA 0.124 57.609 57.345 0.232 0.000 1.243 229 W CB 0.930 30.374 29.460 -0.026 0.000 1.122 229 W HN 0.576 nan 8.180 nan 0.000 0.585 230 A N 3.754 126.229 122.820 -0.574 0.000 2.602 230 A HA 0.485 4.805 4.320 -0.001 0.000 0.290 230 A C -1.145 176.150 177.584 -0.481 0.000 1.114 230 A CA -0.875 50.956 52.037 -0.344 0.000 0.683 230 A CB 1.792 20.674 19.000 -0.197 0.000 1.281 230 A HN 0.607 nan 8.150 nan 0.000 0.416 231 K N -0.011 120.257 120.400 -0.219 0.000 2.155 231 K HA 0.353 4.672 4.320 -0.001 0.000 0.237 231 K C 1.358 177.880 176.600 -0.130 0.000 1.040 231 K CA 0.348 56.540 56.287 -0.158 0.000 0.912 231 K CB 0.642 33.123 32.500 -0.032 0.000 1.137 231 K HN 0.774 nan 8.250 nan 0.000 0.498 232 S N -0.096 115.557 115.700 -0.079 0.000 2.481 232 S HA -0.114 4.356 4.470 -0.001 0.000 0.231 232 S C 1.034 175.717 174.600 0.139 0.000 0.996 232 S CA 1.283 59.483 58.200 -0.000 0.000 0.942 232 S CB -0.318 62.849 63.200 -0.055 0.000 0.768 232 S HN 0.712 nan 8.310 nan 0.000 0.520 233 D N 1.013 121.441 120.400 0.047 0.000 2.328 233 D HA 0.075 4.715 4.640 -0.001 0.000 0.226 233 D C 0.290 176.607 176.300 0.027 0.000 1.066 233 D CA 0.007 54.020 54.000 0.022 0.000 0.861 233 D CB -0.801 40.001 40.800 0.003 0.000 0.912 233 D HN 0.280 nan 8.370 nan 0.000 0.521 234 N N -1.342 117.389 118.700 0.051 0.000 2.965 234 N HA -0.161 4.578 4.740 -0.001 0.000 0.232 234 N C -0.530 175.001 175.510 0.036 0.000 0.913 234 N CA 1.130 54.221 53.050 0.068 0.000 0.981 234 N CB -2.248 36.329 38.487 0.151 0.000 1.077 234 N HN 0.277 nan 8.380 nan 0.000 0.589 235 T N 2.417 116.981 114.554 0.016 0.000 2.928 235 T HA 0.248 4.598 4.350 -0.001 0.000 0.305 235 T C 1.107 175.821 174.700 0.024 0.000 1.035 235 T CA -0.061 62.053 62.100 0.023 0.000 1.145 235 T CB 0.482 69.368 68.868 0.031 0.000 0.963 235 T HN 0.077 nan 8.240 nan 0.000 0.545 236 L N 4.017 125.268 121.223 0.046 0.000 2.436 236 L HA 0.432 4.771 4.340 -0.001 0.000 0.265 236 L C 0.262 177.190 176.870 0.097 0.000 1.168 236 L CA -0.335 54.546 54.840 0.068 0.000 0.815 236 L CB 0.378 42.488 42.059 0.084 0.000 1.109 236 L HN 0.537 nan 8.230 nan 0.000 0.462 237 I N 2.382 123.035 120.570 0.138 0.000 2.437 237 I HA 0.199 4.369 4.170 -0.001 0.000 0.279 237 I C 0.341 176.614 176.117 0.261 0.000 1.028 237 I CA -0.202 61.208 61.300 0.184 0.000 1.142 237 I CB 1.509 39.603 38.000 0.156 0.000 1.266 237 I HN 0.662 nan 8.210 nan 0.000 0.461 238 K N 2.794 123.320 120.400 0.209 0.000 2.240 238 K HA 0.051 4.371 4.320 -0.001 0.000 0.202 238 K C 0.479 177.182 176.600 0.173 0.000 1.053 238 K CA 0.230 56.628 56.287 0.185 0.000 0.973 238 K CB 0.328 32.910 32.500 0.137 0.000 0.924 238 K HN 0.673 nan 8.250 nan 0.000 0.477 239 D N 1.104 121.610 120.400 0.177 0.000 2.304 239 D HA -0.066 4.574 4.640 -0.001 0.000 0.247 239 D C 1.016 177.435 176.300 0.197 0.000 1.089 239 D CA -0.106 53.996 54.000 0.171 0.000 0.910 239 D CB 1.597 42.495 40.800 0.162 0.000 1.199 239 D HN -0.021 nan 8.370 nan 0.000 0.426 240 L N 0.917 122.254 121.223 0.191 0.000 2.079 240 L HA -0.229 4.111 4.340 -0.001 0.000 0.210 240 L C 2.326 179.337 176.870 0.235 0.000 1.081 240 L CA 1.305 56.258 54.840 0.188 0.000 0.752 240 L CB -0.102 42.075 42.059 0.197 0.000 0.896 240 L HN 0.409 nan 8.230 nan 0.000 0.433 241 K N -0.548 119.979 120.400 0.211 0.000 2.062 241 K HA -0.128 4.192 4.320 -0.001 0.000 0.205 241 K C 1.605 178.319 176.600 0.191 0.000 1.051 241 K CA 1.175 57.568 56.287 0.177 0.000 0.941 241 K CB -0.290 32.267 32.500 0.095 0.000 0.719 241 K HN 0.370 nan 8.250 nan 0.000 0.440 242 D N 0.819 121.346 120.400 0.212 0.000 2.117 242 D HA -0.143 4.496 4.640 -0.001 0.000 0.197 242 D C 1.771 178.118 176.300 0.078 0.000 0.987 242 D CA 0.813 54.946 54.000 0.221 0.000 0.829 242 D CB -0.358 40.613 40.800 0.285 0.000 0.961 242 D HN 0.059 nan 8.370 nan 0.000 0.460 243 F N 1.960 121.894 119.950 -0.027 0.000 2.095 243 F HA -0.233 4.293 4.527 -0.001 0.000 0.298 243 F C 2.358 177.987 175.800 -0.285 0.000 1.104 243 F CA 1.555 59.461 58.000 -0.158 0.000 1.232 243 F CB -0.575 38.331 39.000 -0.157 0.000 0.987 243 F HN -0.139 nan 8.300 nan 0.000 0.475 244 T N 0.453 115.102 114.554 0.159 0.000 2.665 244 T HA -0.234 4.116 4.350 -0.001 0.000 0.268 244 T C 1.954 176.696 174.700 0.071 0.000 1.035 244 T CA 1.647 63.858 62.100 0.186 0.000 1.151 244 T CB -0.835 68.196 68.868 0.272 0.000 0.862 244 T HN 0.363 nan 8.240 nan 0.000 0.438 245 A N 0.812 123.661 122.820 0.049 0.000 2.238 245 A HA 0.167 4.487 4.320 -0.001 0.000 0.208 245 A C 2.119 179.680 177.584 -0.039 0.000 1.177 245 A CA 1.304 53.386 52.037 0.074 0.000 0.804 245 A CB -0.509 18.601 19.000 0.183 0.000 0.823 245 A HN 0.657 nan 8.150 nan 0.000 0.482 246 T N -5.029 109.387 114.554 -0.229 0.000 3.447 246 T HA -0.056 4.293 4.350 -0.001 0.000 0.218 246 T C 1.797 176.208 174.700 -0.482 0.000 0.972 246 T CA 0.764 62.692 62.100 -0.287 0.000 1.264 246 T CB -0.889 67.792 68.868 -0.312 0.000 1.284 246 T HN 0.232 nan 8.240 nan 0.000 0.361 247 C N 0.769 119.363 119.300 -1.177 0.000 2.403 247 C HA 0.126 4.585 4.460 -0.001 0.000 0.277 247 C C 2.091 176.621 174.990 -0.767 0.000 1.248 247 C CA 0.546 58.509 59.018 -1.759 0.000 1.762 247 C CB -1.879 24.091 27.740 -2.951 0.000 2.014 247 C HN 0.602 nan 8.230 nan 0.000 0.486 248 F N -0.077 119.538 119.950 -0.557 0.000 2.732 248 F HA 0.147 4.673 4.527 -0.001 0.000 0.303 248 F C 1.061 176.849 175.800 -0.020 0.000 1.110 248 F CA -0.601 57.255 58.000 -0.239 0.000 1.355 248 F CB -0.103 38.798 39.000 -0.165 0.000 1.081 248 F HN 0.245 nan 8.300 nan 0.000 0.565 249 Q N 1.837 121.710 119.800 0.120 0.000 2.283 249 Q HA -0.116 4.224 4.340 -0.001 0.000 0.301 249 Q C 1.339 177.438 176.000 0.165 0.000 1.063 249 Q CA 0.368 56.266 55.803 0.158 0.000 0.952 249 Q CB 0.704 29.510 28.738 0.113 0.000 1.166 249 Q HN 0.383 nan 8.270 nan 0.000 0.381 250 K N 2.862 123.343 120.400 0.136 0.000 2.097 250 K HA -0.310 4.010 4.320 -0.001 0.000 0.214 250 K C 1.732 178.355 176.600 0.038 0.000 1.052 250 K CA 1.962 58.247 56.287 -0.003 0.000 0.932 250 K CB -0.114 32.276 32.500 -0.183 0.000 0.716 250 K HN 0.689 nan 8.250 nan 0.000 0.455 251 H N -0.349 118.717 119.070 -0.008 0.000 2.428 251 H HA -0.039 4.517 4.556 -0.001 0.000 0.296 251 H C 1.377 176.724 175.328 0.032 0.000 1.062 251 H CA 1.641 57.693 56.048 0.006 0.000 1.350 251 H CB 0.205 29.975 29.762 0.013 0.000 1.403 251 H HN 0.262 nan 8.280 nan 0.000 0.533 252 T N 2.239 116.795 114.554 0.002 0.000 2.612 252 T HA -0.101 4.249 4.350 -0.001 0.000 0.259 252 T C 2.288 176.917 174.700 -0.118 0.000 1.065 252 T CA 0.794 62.855 62.100 -0.065 0.000 1.167 252 T CB -0.623 68.201 68.868 -0.074 0.000 0.863 252 T HN 0.211 nan 8.240 nan 0.000 0.407 253 L N 0.742 121.911 121.223 -0.089 0.000 2.034 253 L HA -0.156 4.184 4.340 -0.001 0.000 0.217 253 L C 2.422 179.259 176.870 -0.054 0.000 1.077 253 L CA 1.780 56.584 54.840 -0.059 0.000 0.769 253 L CB -0.477 41.624 42.059 0.071 0.000 0.890 253 L HN 0.343 nan 8.230 nan 0.000 0.435 254 L N -0.944 120.244 121.223 -0.060 0.000 2.156 254 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 254 L C 2.308 179.122 176.870 -0.092 0.000 1.095 254 L CA 0.796 55.590 54.840 -0.076 0.000 0.770 254 L CB -0.637 41.372 42.059 -0.084 0.000 0.914 254 L HN 0.400 nan 8.230 nan 0.000 0.439 255 N N -0.063 118.571 118.700 -0.109 0.000 2.142 255 N HA -0.133 4.606 4.740 -0.001 0.000 0.186 255 N C 1.902 177.454 175.510 0.070 0.000 1.023 255 N CA 1.147 54.156 53.050 -0.068 0.000 0.852 255 N CB -0.015 38.446 38.487 -0.044 0.000 0.998 255 N HN 0.089 nan 8.380 nan 0.000 0.424 256 V N 2.300 122.286 119.914 0.120 0.000 2.255 256 V HA -0.233 3.887 4.120 -0.001 0.000 0.247 256 V C 2.527 178.678 176.094 0.094 0.000 1.051 256 V CA 1.421 63.814 62.300 0.156 0.000 1.018 256 V CB -0.605 31.209 31.823 -0.015 0.000 0.641 256 V HN 0.239 nan 8.190 nan 0.000 0.445 257 L N -0.687 120.552 121.223 0.025 0.000 2.012 257 L HA -0.168 4.171 4.340 -0.001 0.000 0.210 257 L C 2.326 179.217 176.870 0.034 0.000 1.073 257 L CA 1.364 56.222 54.840 0.030 0.000 0.748 257 L CB -0.523 41.518 42.059 -0.030 0.000 0.891 257 L HN 0.211 nan 8.230 nan 0.000 0.431 258 V N -1.036 118.846 119.914 -0.053 0.000 2.575 258 V HA -0.022 4.098 4.120 -0.001 0.000 0.242 258 V C 1.606 177.626 176.094 -0.122 0.000 1.045 258 V CA 1.176 63.409 62.300 -0.111 0.000 1.065 258 V CB -0.178 31.543 31.823 -0.170 0.000 0.717 258 V HN 0.417 nan 8.190 nan 0.000 0.467 259 N N -1.538 117.019 118.700 -0.237 0.000 2.250 259 N HA 0.129 4.869 4.740 -0.001 0.000 0.190 259 N C 0.473 175.637 175.510 -0.576 0.000 1.116 259 N CA 0.394 53.160 53.050 -0.473 0.000 0.881 259 N CB 0.687 38.721 38.487 -0.755 0.000 1.006 259 N HN 0.545 nan 8.380 nan 0.000 0.491 260 Y N -0.212 120.094 120.300 0.010 0.000 2.719 260 Y HA 0.360 4.910 4.550 -0.000 0.000 0.251 260 Y C -0.021 175.899 175.900 0.035 0.000 1.159 260 Y CA -0.417 57.691 58.100 0.013 0.000 1.166 260 Y CB 0.810 39.285 38.460 0.025 0.000 1.219 260 Y HN -0.226 nan 8.280 nan 0.000 0.551 261 S N 0.793 116.568 115.700 0.124 0.000 2.500 261 S HA 0.618 5.088 4.470 -0.001 0.000 0.301 261 S C -0.483 174.110 174.600 -0.012 0.000 1.092 261 S CA -0.679 57.569 58.200 0.081 0.000 1.030 261 S CB 2.170 65.433 63.200 0.106 0.000 1.031 261 S HN -0.056 nan 8.310 nan 0.000 0.483 262 V N 3.462 123.364 119.914 -0.019 0.000 2.435 262 V HA 0.514 4.634 4.120 -0.001 0.000 0.290 262 V C -1.033 175.056 176.094 -0.009 0.000 1.030 262 V CA -0.661 61.623 62.300 -0.027 0.000 0.881 262 V CB 1.170 32.990 31.823 -0.006 0.000 0.983 262 V HN 0.831 nan 8.190 nan 0.000 0.445 263 F N 5.853 125.688 119.950 -0.192 0.000 2.366 263 F HA 0.536 5.063 4.527 -0.001 0.000 0.366 263 F C 0.174 175.955 175.800 -0.033 0.000 1.096 263 F CA -1.468 56.440 58.000 -0.153 0.000 1.060 263 F CB 0.540 39.407 39.000 -0.222 0.000 1.282 263 F HN 0.732 nan 8.300 nan 0.000 0.450 264 D N 1.489 121.679 120.400 -0.350 0.000 2.469 264 D HA 0.162 4.801 4.640 -0.001 0.000 0.278 264 D C 1.076 177.168 176.300 -0.347 0.000 1.231 264 D CA 0.090 53.958 54.000 -0.221 0.000 1.075 264 D CB 0.222 40.968 40.800 -0.090 0.000 1.121 264 D HN 0.285 nan 8.370 nan 0.000 0.571 265 S N -1.586 114.014 115.700 -0.167 0.000 2.489 265 S HA -0.094 4.376 4.470 -0.001 0.000 0.228 265 S C 1.615 176.123 174.600 -0.153 0.000 0.995 265 S CA 0.597 58.708 58.200 -0.148 0.000 0.934 265 S CB -0.827 62.330 63.200 -0.072 0.000 0.771 265 S HN 0.551 nan 8.310 nan 0.000 0.522 266 S N 0.829 116.440 115.700 -0.147 0.000 2.631 266 S HA 0.155 4.625 4.470 -0.001 0.000 0.217 266 S C 0.419 174.913 174.600 -0.177 0.000 0.958 266 S CA -0.272 57.866 58.200 -0.104 0.000 0.920 266 S CB -0.715 62.462 63.200 -0.039 0.000 0.776 266 S HN 0.506 nan 8.310 nan 0.000 0.517 267 Q N 0.414 119.969 119.800 -0.408 0.000 2.470 267 Q HA -0.118 4.221 4.340 -0.001 0.000 0.294 267 Q C -1.050 174.795 176.000 -0.260 0.000 1.356 267 Q CA 0.895 56.301 55.803 -0.662 0.000 0.805 267 Q CB -2.599 26.016 28.738 -0.206 0.000 1.157 267 Q HN 0.605 nan 8.270 nan 0.000 0.431 268 T N 1.203 115.613 114.554 -0.240 0.000 2.771 268 T HA 0.526 4.875 4.350 -0.001 0.000 0.281 268 T C -0.173 174.573 174.700 0.078 0.000 0.982 268 T CA -0.685 61.403 62.100 -0.020 0.000 0.978 268 T CB 1.274 70.119 68.868 -0.039 0.000 0.930 268 T HN 0.268 nan 8.240 nan 0.000 0.447 269 L N 5.123 126.471 121.223 0.208 0.000 2.290 269 L HA 0.556 4.896 4.340 -0.001 0.000 0.284 269 L C -1.444 175.486 176.870 0.100 0.000 1.078 269 L CA -0.174 54.780 54.840 0.191 0.000 0.815 269 L CB 0.054 42.213 42.059 0.166 0.000 1.162 269 L HN 0.486 nan 8.230 nan 0.000 0.435 270 L N 6.299 127.566 121.223 0.074 0.000 2.376 270 L HA 0.590 4.929 4.340 -0.001 0.000 0.275 270 L C -0.091 176.842 176.870 0.105 0.000 0.987 270 L CA -0.355 54.535 54.840 0.084 0.000 0.828 270 L CB 1.697 43.796 42.059 0.067 0.000 1.249 270 L HN 0.336 nan 8.230 nan 0.000 0.409 274 P HA -0.198 nan 4.420 nan 0.000 0.215 274 P C 0.821 177.808 177.300 -0.522 0.000 1.153 274 P CA 1.395 64.148 63.100 -0.579 0.000 0.853 274 P CB -0.047 31.245 31.700 -0.680 0.000 0.788 275 Y N -0.351 119.673 120.300 -0.461 0.000 2.352 275 Y HA -0.109 4.441 4.550 -0.001 0.000 0.292 275 Y C 2.060 177.800 175.900 -0.266 0.000 1.136 275 Y CA 0.727 58.578 58.100 -0.416 0.000 1.227 275 Y CB -1.912 36.161 38.460 -0.645 0.000 0.991 275 Y HN 0.015 nan 8.280 nan 0.000 0.545 276 Q N 0.919 120.313 119.800 -0.676 0.000 2.046 276 Q HA -0.071 4.269 4.340 -0.001 0.000 0.200 276 Q C 2.341 178.215 176.000 -0.210 0.000 0.975 276 Q CA 2.031 57.680 55.803 -0.257 0.000 0.836 276 Q CB -0.236 28.286 28.738 -0.359 0.000 0.896 276 Q HN 0.590 nan 8.270 nan 0.000 0.428 277 I N 0.946 121.287 120.570 -0.382 0.000 2.252 277 I HA -0.245 3.925 4.170 -0.001 0.000 0.245 277 I C 2.488 178.309 176.117 -0.492 0.000 1.102 277 I CA 0.875 61.843 61.300 -0.553 0.000 1.385 277 I CB -0.480 37.118 38.000 -0.670 0.000 1.064 277 I HN 0.156 nan 8.210 nan 0.000 0.414 278 A N 0.964 123.474 122.820 -0.517 0.000 1.902 278 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 278 A C 2.566 179.812 177.584 -0.564 0.000 1.181 278 A CA 1.962 53.624 52.037 -0.624 0.000 0.623 278 A CB -0.815 17.684 19.000 -0.835 0.000 0.818 278 A HN 0.433 nan 8.150 nan 0.000 0.443 279 A N -0.978 121.592 122.820 -0.417 0.000 1.877 279 A HA -0.077 4.243 4.320 -0.001 0.000 0.216 279 A C 2.329 179.851 177.584 -0.103 0.000 1.186 279 A CA 2.320 54.245 52.037 -0.188 0.000 0.620 279 A CB -1.315 17.653 19.000 -0.052 0.000 0.822 279 A HN 0.439 nan 8.150 nan 0.000 0.443 280 T N 0.778 115.301 114.554 -0.051 0.000 2.674 280 T HA -0.172 4.177 4.350 -0.001 0.000 0.265 280 T C 1.809 176.536 174.700 0.045 0.000 1.039 280 T CA 1.733 63.857 62.100 0.041 0.000 1.150 280 T CB -0.439 68.492 68.868 0.106 0.000 0.864 280 T HN 0.877 nan 8.240 nan 0.000 0.427 281 E N 1.173 121.368 120.200 -0.008 0.000 2.204 281 E HA -0.112 4.237 4.350 -0.001 0.000 0.194 281 E C 2.254 178.969 176.600 0.191 0.000 0.989 281 E CA 0.809 57.297 56.400 0.147 0.000 0.824 281 E CB -0.194 29.592 29.700 0.144 0.000 0.756 281 E HN 0.339 nan 8.360 nan 0.000 0.477 282 R N 0.415 120.876 120.500 -0.065 0.000 2.119 282 R HA 0.112 4.451 4.340 -0.001 0.000 0.222 282 R C 2.337 178.763 176.300 0.211 0.000 1.088 282 R CA 0.859 56.958 56.100 -0.003 0.000 0.984 282 R CB -0.118 30.041 30.300 -0.236 0.000 0.884 282 R HN 0.217 nan 8.270 nan 0.000 0.447 283 I N 0.679 121.282 120.570 0.055 0.000 2.127 283 I HA -0.343 3.827 4.170 -0.001 0.000 0.241 283 I C 1.974 178.073 176.117 -0.030 0.000 1.075 283 I CA 1.498 62.720 61.300 -0.129 0.000 1.334 283 I CB -0.276 37.492 38.000 -0.387 0.000 1.040 283 I HN 0.164 nan 8.210 nan 0.000 0.405 284 L N -0.910 120.360 121.223 0.077 0.000 2.046 284 L HA -0.241 4.098 4.340 -0.001 0.000 0.208 284 L C 2.484 179.510 176.870 0.259 0.000 1.077 284 L CA 1.620 56.537 54.840 0.128 0.000 0.747 284 L CB -0.715 41.439 42.059 0.158 0.000 0.896 284 L HN 0.431 nan 8.230 nan 0.000 0.432 285 W N 1.476 122.902 121.300 0.210 0.000 2.388 285 W HA -0.222 4.438 4.660 -0.001 0.000 0.294 285 W C 2.631 179.291 176.519 0.234 0.000 1.212 285 W CA 1.568 59.054 57.345 0.236 0.000 1.271 285 W CB 0.107 29.772 29.460 0.342 0.000 1.126 285 W HN -0.081 nan 8.180 nan 0.000 0.535 286 K N 0.686 121.353 120.400 0.445 0.000 2.026 286 K HA -0.171 4.149 4.320 -0.001 0.000 0.208 286 K C 1.832 178.564 176.600 0.221 0.000 1.048 286 K CA 2.357 58.846 56.287 0.337 0.000 0.929 286 K CB -0.860 31.982 32.500 0.570 0.000 0.713 286 K HN 0.292 nan 8.250 nan 0.000 0.439 287 I N 0.933 121.662 120.570 0.266 0.000 2.118 287 I HA -0.364 3.806 4.170 -0.001 0.000 0.241 287 I C 2.563 178.694 176.117 0.023 0.000 1.070 287 I CA 1.705 63.057 61.300 0.086 0.000 1.327 287 I CB -0.372 37.653 38.000 0.040 0.000 1.034 287 I HN 0.245 nan 8.210 nan 0.000 0.405 288 K N 0.925 121.368 120.400 0.071 0.000 2.057 288 K HA -0.193 4.126 4.320 -0.001 0.000 0.207 288 K C 2.319 178.841 176.600 -0.131 0.000 1.049 288 K CA 2.068 58.408 56.287 0.088 0.000 0.931 288 K CB -0.043 32.500 32.500 0.071 0.000 0.714 288 K HN 0.443 nan 8.250 nan 0.000 0.440 289 S N -0.024 115.453 115.700 -0.372 0.000 2.387 289 S HA -0.065 4.404 4.470 -0.001 0.000 0.226 289 S C 2.109 176.597 174.600 -0.186 0.000 1.026 289 S CA 1.261 59.214 58.200 -0.412 0.000 0.972 289 S CB -0.186 62.545 63.200 -0.781 0.000 0.814 289 S HN 0.187 nan 8.310 nan 0.000 0.477 290 S N 1.857 117.526 115.700 -0.052 0.000 2.359 290 S HA -0.080 4.390 4.470 -0.001 0.000 0.223 290 S C 1.435 176.131 174.600 0.161 0.000 1.039 290 S CA 1.607 59.879 58.200 0.119 0.000 1.042 290 S CB -0.711 62.721 63.200 0.385 0.000 0.915 290 S HN 0.611 nan 8.310 nan 0.000 0.439 291 F N 2.600 122.566 119.950 0.026 0.000 2.095 291 F HA -0.172 4.355 4.527 -0.001 0.000 0.298 291 F C 2.362 178.107 175.800 -0.092 0.000 1.104 291 F CA 1.827 59.870 58.000 0.073 0.000 1.232 291 F CB -1.128 37.709 39.000 -0.271 0.000 0.987 291 F HN 0.110 nan 8.300 nan 0.000 0.475 292 T N 0.460 114.800 114.554 -0.356 0.000 2.881 292 T HA -0.096 4.253 4.350 -0.001 0.000 0.270 292 T C 2.035 176.513 174.700 -0.371 0.000 1.068 292 T CA 1.215 63.052 62.100 -0.438 0.000 1.131 292 T CB -0.649 68.073 68.868 -0.244 0.000 0.871 292 T HN 0.389 nan 8.240 nan 0.000 0.479 293 A N 0.628 123.273 122.820 -0.292 0.000 2.169 293 A HA 0.232 4.551 4.320 -0.001 0.000 0.212 293 A C 0.976 178.317 177.584 -0.405 0.000 1.153 293 A CA 0.302 52.176 52.037 -0.272 0.000 0.756 293 A CB -0.218 18.668 19.000 -0.190 0.000 0.813 293 A HN 0.479 nan 8.150 nan 0.000 0.471 294 K N -1.227 118.846 120.400 -0.544 0.000 3.162 294 K HA -0.182 4.137 4.320 -0.001 0.000 0.268 294 K C -0.406 175.429 176.600 -1.275 0.000 1.062 294 K CA 0.798 56.423 56.287 -1.103 0.000 0.769 294 K CB -1.763 30.259 32.500 -0.797 0.000 1.274 294 K HN 0.543 nan 8.250 nan 0.000 0.478 295 N N 0.863 119.114 118.700 -0.749 0.000 2.757 295 N HA 0.224 4.963 4.740 -0.001 0.000 0.296 295 N C -0.910 174.452 175.510 -0.246 0.000 1.874 295 N CA -0.862 51.894 53.050 -0.489 0.000 0.885 295 N CB 0.470 38.819 38.487 -0.229 0.000 1.242 295 N HN 0.323 nan 8.380 nan 0.000 0.488 296 W N 0.168 121.427 121.300 -0.069 0.000 2.332 296 W HA 0.586 5.246 4.660 -0.000 0.000 0.351 296 W C 0.639 176.897 176.519 -0.436 0.000 1.195 296 W CA -1.157 55.996 57.345 -0.320 0.000 1.334 296 W CB -0.106 29.112 29.460 -0.402 0.000 1.206 296 W HN 0.119 nan 8.180 nan 0.000 0.637 297 S N -0.637 114.748 115.700 -0.525 0.000 3.490 297 S HA -0.223 4.247 4.470 -0.001 0.000 0.301 297 S C -0.305 174.031 174.600 -0.439 0.000 1.233 297 S CA 1.140 58.705 58.200 -1.059 0.000 0.914 297 S CB -2.373 60.496 63.200 -0.552 0.000 1.047 297 S HN 0.651 nan 8.310 nan 0.000 0.602 298 K N -0.408 119.864 120.400 -0.213 0.000 2.395 298 K HA 0.578 4.898 4.320 -0.001 0.000 0.245 298 K C -2.510 174.099 176.600 0.014 0.000 1.017 298 K CA -2.668 53.586 56.287 -0.055 0.000 0.852 298 K CB 0.777 33.251 32.500 -0.043 0.000 1.311 298 K HN -0.238 nan 8.250 nan 0.000 0.452 299 P HA -0.249 nan 4.420 nan 0.000 0.217 299 P C 0.635 177.990 177.300 0.091 0.000 1.148 299 P CA 1.283 64.425 63.100 0.069 0.000 0.828 299 P CB 0.132 31.865 31.700 0.055 0.000 0.783 300 E N -0.542 119.700 120.200 0.069 0.000 2.511 300 E HA -0.005 4.345 4.350 -0.001 0.000 0.196 300 E C 0.903 177.565 176.600 0.104 0.000 1.066 300 E CA 0.728 57.180 56.400 0.086 0.000 0.871 300 E CB -0.640 29.096 29.700 0.061 0.000 0.863 300 E HN 0.224 nan 8.360 nan 0.000 0.520 301 S N 0.235 115.996 115.700 0.101 0.000 2.478 301 S HA 0.187 4.657 4.470 -0.001 0.000 0.222 301 S C 1.177 175.903 174.600 0.211 0.000 1.008 301 S CA 0.339 58.652 58.200 0.189 0.000 0.928 301 S CB 0.548 63.835 63.200 0.146 0.000 0.781 301 S HN 0.495 nan 8.310 nan 0.000 0.518 302 G N 0.226 109.039 108.800 0.023 0.000 3.414 302 G HA2 0.713 4.673 3.960 -0.001 0.000 0.189 302 G HA3 0.713 4.673 3.960 -0.001 0.000 0.189 302 G C -0.071 174.768 174.900 -0.102 0.000 1.329 302 G CA -0.180 44.650 45.100 -0.450 0.000 0.851 302 G HN 0.762 nan 8.290 nan 0.000 0.671 303 G N -2.285 106.506 108.800 -0.016 0.000 2.356 303 G HA2 0.554 4.513 3.960 -0.001 0.000 0.300 303 G HA3 0.554 4.513 3.960 -0.001 0.000 0.300 303 G C -1.432 173.644 174.900 0.294 0.000 1.331 303 G CA -0.037 45.215 45.100 0.253 0.000 0.905 303 G HN 1.535 nan 8.290 nan 0.000 0.587 304 Y N -1.240 119.103 120.300 0.071 0.000 2.633 304 Y HA 0.895 5.445 4.550 -0.001 0.000 0.339 304 Y C -0.675 175.128 175.900 -0.161 0.000 1.045 304 Y CA -2.014 55.994 58.100 -0.153 0.000 1.098 304 Y CB 1.664 39.986 38.460 -0.231 0.000 1.296 304 Y HN 0.507 nan 8.280 nan 0.000 0.494 305 I N 1.998 122.436 120.570 -0.220 0.000 2.447 305 I HA 0.083 4.252 4.170 -0.001 0.000 0.287 305 I C -1.562 174.562 176.117 0.011 0.000 1.023 305 I CA -0.895 60.179 61.300 -0.376 0.000 1.083 305 I CB 1.412 38.726 38.000 -1.144 0.000 1.245 305 I HN 0.874 nan 8.210 nan 0.000 0.434 306 W N 8.252 129.535 121.300 -0.027 0.000 2.253 306 W HA 0.382 5.041 4.660 -0.001 0.000 0.348 306 W C -0.746 175.939 176.519 0.276 0.000 0.920 306 W CA -0.810 56.626 57.345 0.151 0.000 1.518 306 W CB -0.144 29.440 29.460 0.208 0.000 1.446 306 W HN 0.494 nan 8.180 nan 0.000 0.361 307 H N 2.956 122.296 119.070 0.451 0.000 2.476 307 H HA 0.170 4.725 4.556 -0.001 0.000 0.328 307 H C 0.572 176.091 175.328 0.319 0.000 1.073 307 H CA -0.663 55.585 56.048 0.334 0.000 1.229 307 H CB 1.930 31.959 29.762 0.444 0.000 1.432 307 H HN 0.044 nan 8.280 nan 0.000 0.477 308 T N 1.675 116.372 114.554 0.237 0.000 2.802 308 T HA -0.063 4.287 4.350 -0.001 0.000 0.305 308 T C 0.685 175.494 174.700 0.182 0.000 1.053 308 T CA -0.336 61.863 62.100 0.166 0.000 1.058 308 T CB 0.549 69.387 68.868 -0.049 0.000 0.988 308 T HN 0.700 nan 8.240 nan 0.000 0.539 309 T N 1.205 115.847 114.554 0.148 0.000 2.817 309 T HA 0.419 4.769 4.350 -0.001 0.000 0.295 309 T C 1.278 176.062 174.700 0.141 0.000 0.958 309 T CA 0.694 62.884 62.100 0.149 0.000 1.157 309 T CB -0.502 68.439 68.868 0.122 0.000 0.898 309 T HN 1.360 nan 8.240 nan 0.000 0.536 310 G N 3.159 112.056 108.800 0.161 0.000 2.176 310 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.232 310 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.232 310 G C 0.947 175.942 174.900 0.158 0.000 0.986 310 G CA 0.675 45.861 45.100 0.143 0.000 0.643 310 G HN 1.675 nan 8.290 nan 0.000 0.522 311 S N -0.180 115.642 115.700 0.204 0.000 2.593 311 S HA 0.458 4.928 4.470 -0.001 0.000 0.217 311 S C 1.760 176.560 174.600 0.333 0.000 0.966 311 S CA 1.126 59.485 58.200 0.264 0.000 0.914 311 S CB 0.421 63.770 63.200 0.247 0.000 0.776 311 S HN 2.326 nan 8.310 nan 0.000 0.523 312 G N 1.325 110.287 108.800 0.270 0.000 2.226 312 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.176 312 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.176 312 G C 0.463 175.515 174.900 0.255 0.000 1.042 312 G CA 0.059 45.298 45.100 0.231 0.000 0.732 312 G HN 0.435 nan 8.290 nan 0.000 0.494 313 K N -0.548 120.026 120.400 0.290 0.000 2.103 313 K HA -0.078 4.241 4.320 -0.001 0.000 0.207 313 K C 2.545 179.169 176.600 0.040 0.000 1.048 313 K CA 1.962 58.396 56.287 0.245 0.000 0.930 313 K CB -0.105 32.582 32.500 0.313 0.000 0.716 313 K HN 0.418 nan 8.250 nan 0.000 0.444 314 T N 1.842 116.475 114.554 0.131 0.000 2.894 314 T HA -0.033 4.317 4.350 -0.001 0.000 0.258 314 T C 1.614 176.405 174.700 0.152 0.000 1.043 314 T CA 0.370 62.578 62.100 0.179 0.000 1.141 314 T CB -0.117 68.881 68.868 0.218 0.000 0.873 314 T HN 0.108 nan 8.240 nan 0.000 0.449 315 L N 1.371 122.669 121.223 0.125 0.000 1.997 315 L HA -0.206 4.133 4.340 -0.001 0.000 0.216 315 L C 2.288 179.169 176.870 0.018 0.000 1.074 315 L CA 2.146 57.042 54.840 0.094 0.000 0.763 315 L CB -1.289 40.823 42.059 0.088 0.000 0.890 315 L HN 0.295 nan 8.230 nan 0.000 0.434 316 T N -0.293 114.255 114.554 -0.009 0.000 2.770 316 T HA -0.102 4.248 4.350 -0.001 0.000 0.263 316 T C 2.041 176.609 174.700 -0.220 0.000 1.039 316 T CA 1.574 63.650 62.100 -0.040 0.000 1.142 316 T CB -0.176 68.761 68.868 0.115 0.000 0.868 316 T HN 0.663 nan 8.240 nan 0.000 0.435 317 S N 1.305 116.692 115.700 -0.522 0.000 2.383 317 S HA -0.040 4.429 4.470 -0.001 0.000 0.227 317 S C 1.856 176.229 174.600 -0.378 0.000 1.026 317 S CA 0.575 58.364 58.200 -0.685 0.000 0.981 317 S CB -1.022 61.681 63.200 -0.828 0.000 0.818 317 S HN 0.575 nan 8.310 nan 0.000 0.472 318 F N 2.623 122.134 119.950 -0.731 0.000 2.102 318 F HA -0.098 4.429 4.527 -0.001 0.000 0.298 318 F C 2.550 177.982 175.800 -0.614 0.000 1.105 318 F CA 1.493 58.775 58.000 -1.197 0.000 1.239 318 F CB -0.118 38.342 39.000 -0.900 0.000 0.991 318 F HN 0.160 nan 8.300 nan 0.000 0.474 319 K N 1.462 121.610 120.400 -0.420 0.000 2.044 319 K HA -0.192 4.128 4.320 -0.001 0.000 0.210 319 K C 1.935 178.367 176.600 -0.279 0.000 1.049 319 K CA 1.820 57.885 56.287 -0.369 0.000 0.927 319 K CB -0.976 31.433 32.500 -0.152 0.000 0.713 319 K HN 0.307 nan 8.250 nan 0.000 0.443 320 A N 0.334 123.050 122.820 -0.173 0.000 1.930 320 A HA 0.003 4.322 4.320 -0.001 0.000 0.217 320 A C 2.373 179.881 177.584 -0.127 0.000 1.175 320 A CA 2.024 54.012 52.037 -0.082 0.000 0.627 320 A CB -1.017 18.002 19.000 0.031 0.000 0.815 320 A HN 0.432 nan 8.150 nan 0.000 0.443 321 A N -0.008 122.710 122.820 -0.170 0.000 1.883 321 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 321 A C 2.249 179.693 177.584 -0.232 0.000 1.186 321 A CA 1.693 53.641 52.037 -0.149 0.000 0.624 321 A CB -0.520 18.419 19.000 -0.101 0.000 0.822 321 A HN 0.553 nan 8.150 nan 0.000 0.444 322 R N -0.731 119.528 120.500 -0.401 0.000 2.083 322 R HA -0.086 4.254 4.340 -0.001 0.000 0.237 322 R C 2.109 178.275 176.300 -0.224 0.000 1.137 322 R CA 1.608 57.483 56.100 -0.374 0.000 0.951 322 R CB -0.550 29.427 30.300 -0.538 0.000 0.851 322 R HN 0.524 nan 8.270 nan 0.000 0.434 323 L N 0.001 121.104 121.223 -0.200 0.000 2.083 323 L HA -0.133 4.207 4.340 -0.001 0.000 0.209 323 L C 2.596 179.391 176.870 -0.125 0.000 1.083 323 L CA 1.032 55.786 54.840 -0.144 0.000 0.752 323 L CB -0.493 41.498 42.059 -0.113 0.000 0.899 323 L HN 0.267 nan 8.230 nan 0.000 0.433 324 A N 0.026 122.770 122.820 -0.127 0.000 2.019 324 A HA -0.205 4.115 4.320 -0.001 0.000 0.219 324 A C 2.362 179.848 177.584 -0.164 0.000 1.164 324 A CA 1.991 53.949 52.037 -0.132 0.000 0.644 324 A CB -0.886 18.053 19.000 -0.102 0.000 0.805 324 A HN 0.540 nan 8.150 nan 0.000 0.449 325 T N -2.026 112.440 114.554 -0.147 0.000 3.007 325 T HA -0.074 4.275 4.350 -0.001 0.000 0.270 325 T C 1.250 175.862 174.700 -0.146 0.000 1.107 325 T CA 1.368 63.384 62.100 -0.141 0.000 1.118 325 T CB -0.357 68.448 68.868 -0.105 0.000 0.889 325 T HN 0.666 nan 8.240 nan 0.000 0.506 326 E N 0.842 120.959 120.200 -0.139 0.000 2.435 326 E HA 0.171 4.521 4.350 -0.001 0.000 0.195 326 E C 0.009 176.511 176.600 -0.163 0.000 1.029 326 E CA -0.117 56.213 56.400 -0.118 0.000 0.865 326 E CB -0.206 29.443 29.700 -0.085 0.000 0.833 326 E HN 0.567 nan 8.360 nan 0.000 0.510 327 L N 3.350 124.412 121.223 -0.268 0.000 2.530 327 L HA -0.029 4.311 4.340 -0.001 0.000 0.273 327 L C 1.095 177.647 176.870 -0.531 0.000 1.141 327 L CA -0.598 53.952 54.840 -0.483 0.000 0.905 327 L CB 0.185 41.753 42.059 -0.819 0.000 1.202 327 L HN 0.075 nan 8.230 nan 0.000 0.473 328 D N 2.901 123.116 120.400 -0.308 0.000 2.221 328 D HA -0.283 4.356 4.640 -0.001 0.000 0.204 328 D C 1.445 177.635 176.300 -0.184 0.000 0.982 328 D CA 1.422 55.325 54.000 -0.161 0.000 0.857 328 D CB -0.297 40.493 40.800 -0.017 0.000 0.934 328 D HN 0.626 nan 8.370 nan 0.000 0.475 329 F N -0.832 118.988 119.950 -0.216 0.000 2.746 329 F HA 0.331 4.857 4.527 -0.001 0.000 0.297 329 F C 0.646 176.255 175.800 -0.318 0.000 1.113 329 F CA -0.906 56.886 58.000 -0.346 0.000 1.367 329 F CB -0.053 38.477 39.000 -0.784 0.000 1.111 329 F HN -0.282 nan 8.300 nan 0.000 0.590 330 I N 2.450 122.641 120.570 -0.630 0.000 2.519 330 I HA 0.062 4.231 4.170 -0.001 0.000 0.287 330 I C 0.740 176.767 176.117 -0.151 0.000 1.047 330 I CA -0.457 60.666 61.300 -0.294 0.000 1.381 330 I CB 0.727 38.513 38.000 -0.355 0.000 1.417 330 I HN 0.205 nan 8.210 nan 0.000 0.540 331 D N 3.658 124.032 120.400 -0.044 0.000 2.323 331 D HA 0.068 4.708 4.640 -0.001 0.000 0.218 331 D C 0.352 176.617 176.300 -0.058 0.000 0.973 331 D CA 0.911 54.892 54.000 -0.032 0.000 0.890 331 D CB 0.754 41.565 40.800 0.018 0.000 1.011 331 D HN 0.325 nan 8.370 nan 0.000 0.499 332 K N 0.014 120.376 120.400 -0.062 0.000 2.543 332 K HA 0.384 4.704 4.320 -0.001 0.000 0.255 332 K C -1.685 174.805 176.600 -0.185 0.000 0.934 332 K CA -0.391 55.803 56.287 -0.155 0.000 0.810 332 K CB 3.131 35.522 32.500 -0.182 0.000 1.315 332 K HN -0.325 nan 8.250 nan 0.000 0.433 333 V N 4.481 124.247 119.914 -0.247 0.000 2.378 333 V HA 0.485 4.605 4.120 -0.001 0.000 0.288 333 V C -0.893 175.048 176.094 -0.254 0.000 1.016 333 V CA -0.700 61.494 62.300 -0.177 0.000 0.840 333 V CB 0.758 32.520 31.823 -0.102 0.000 0.994 333 V HN 0.582 nan 8.190 nan 0.000 0.431 334 F N 5.004 124.839 119.950 -0.192 0.000 2.411 334 F HA 0.479 5.006 4.527 -0.000 0.000 0.350 334 F C -0.114 175.686 175.800 0.000 0.000 1.114 334 F CA -0.340 57.584 58.000 -0.126 0.000 1.135 334 F CB 1.110 39.970 39.000 -0.234 0.000 1.120 334 F HN 0.463 nan 8.300 nan 0.000 0.495 335 F N 5.777 125.740 119.950 0.021 0.000 2.385 335 F HA 0.575 5.101 4.527 -0.001 0.000 0.360 335 F C -0.934 174.823 175.800 -0.071 0.000 1.122 335 F CA -1.407 56.572 58.000 -0.034 0.000 1.090 335 F CB 0.911 39.877 39.000 -0.056 0.000 1.150 335 F HN 0.154 nan 8.300 nan 0.000 0.472 336 V N 8.719 128.308 119.914 -0.542 0.000 2.409 336 V HA 0.826 4.945 4.120 -0.001 0.000 0.291 336 V C -1.303 174.483 176.094 -0.513 0.000 1.020 336 V CA -0.269 61.775 62.300 -0.427 0.000 0.848 336 V CB 1.305 33.078 31.823 -0.084 0.000 0.990 336 V HN 0.787 nan 8.190 nan 0.000 0.430 337 V N 2.881 122.512 119.914 -0.473 0.000 3.103 337 V HA 0.718 4.837 4.120 -0.001 0.000 0.318 337 V C -0.452 175.579 176.094 -0.104 0.000 1.114 337 V CA -0.688 61.423 62.300 -0.314 0.000 1.020 337 V CB 1.957 33.584 31.823 -0.326 0.000 1.085 337 V HN 0.890 nan 8.190 nan 0.000 0.446 338 D N 1.054 121.434 120.400 -0.034 0.000 2.232 338 D HA 0.272 4.911 4.640 -0.001 0.000 0.242 338 D C 1.371 177.680 176.300 0.015 0.000 1.093 338 D CA -0.484 53.522 54.000 0.009 0.000 0.845 338 D CB 1.936 42.754 40.800 0.029 0.000 1.124 338 D HN 0.800 nan 8.370 nan 0.000 0.467 339 R N 3.913 124.413 120.500 0.000 0.000 2.159 339 R HA -0.147 4.193 4.340 -0.001 0.000 0.237 339 R C 1.103 177.424 176.300 0.034 0.000 1.131 339 R CA 0.875 56.954 56.100 -0.036 0.000 0.982 339 R CB -0.156 30.083 30.300 -0.103 0.000 0.868 339 R HN 0.340 nan 8.270 nan 0.000 0.453 340 K N 0.343 120.796 120.400 0.087 0.000 2.211 340 K HA -0.123 4.197 4.320 -0.001 0.000 0.204 340 K C 0.692 177.365 176.600 0.121 0.000 1.047 340 K CA 1.592 57.949 56.287 0.116 0.000 0.935 340 K CB 0.013 32.569 32.500 0.093 0.000 0.728 340 K HN 0.269 nan 8.250 nan 0.000 0.452 341 D N 0.212 120.685 120.400 0.121 0.000 2.339 341 D HA 0.073 4.713 4.640 -0.001 0.000 0.217 341 D C 0.246 176.672 176.300 0.211 0.000 1.050 341 D CA 0.191 54.288 54.000 0.161 0.000 0.856 341 D CB 0.229 41.111 40.800 0.136 0.000 0.922 341 D HN 0.083 nan 8.370 nan 0.000 0.518 342 L N 1.531 122.876 121.223 0.203 0.000 2.417 342 L HA 0.194 4.533 4.340 -0.001 0.000 0.268 342 L C 0.511 177.611 176.870 0.383 0.000 1.158 342 L CA -0.128 54.858 54.840 0.243 0.000 0.819 342 L CB 0.704 42.851 42.059 0.147 0.000 1.112 342 L HN -0.031 nan 8.230 nan 0.000 0.458 343 D N -0.169 120.436 120.400 0.342 0.000 2.812 343 D HA 0.049 4.689 4.640 -0.001 0.000 0.318 343 D C 0.343 176.814 176.300 0.285 0.000 1.234 343 D CA -0.603 53.653 54.000 0.427 0.000 0.989 343 D CB 0.337 41.491 40.800 0.589 0.000 1.442 343 D HN 0.368 nan 8.370 nan 0.000 0.537 344 Y N -0.065 120.335 120.300 0.166 0.000 2.133 344 Y HA -0.164 4.385 4.550 -0.001 0.000 0.287 344 Y C 2.406 178.322 175.900 0.027 0.000 1.134 344 Y CA 2.460 60.607 58.100 0.079 0.000 1.133 344 Y CB -0.109 38.381 38.460 0.050 0.000 0.987 344 Y HN 0.366 nan 8.280 nan 0.000 0.502 345 Q N 0.703 120.591 119.800 0.147 0.000 2.135 345 Q HA -0.072 4.267 4.340 -0.001 0.000 0.204 345 Q C 1.057 176.951 176.000 -0.177 0.000 0.981 345 Q CA 1.608 57.409 55.803 -0.003 0.000 0.856 345 Q CB -0.777 28.006 28.738 0.075 0.000 0.902 345 Q HN 0.392 nan 8.270 nan 0.000 0.425 349 E N 0.477 120.540 120.200 -0.228 0.000 2.072 349 E HA 0.013 4.362 4.350 -0.001 0.000 0.190 349 E C 1.399 178.097 176.600 0.163 0.000 0.982 349 E CA 1.630 57.988 56.400 -0.070 0.000 0.803 349 E CB -0.084 29.501 29.700 -0.191 0.000 0.755 349 E HN 0.467 nan 8.360 nan 0.000 0.453 350 Y N -0.564 119.784 120.300 0.082 0.000 2.373 350 Y HA -0.108 4.441 4.550 -0.001 0.000 0.293 350 Y C 2.295 178.292 175.900 0.160 0.000 1.129 350 Y CA 0.417 58.588 58.100 0.118 0.000 1.226 350 Y CB 0.008 38.457 38.460 -0.018 0.000 1.000 350 Y HN 0.113 nan 8.280 nan 0.000 0.549 351 Q N 1.609 121.519 119.800 0.183 0.000 2.197 351 Q HA -0.204 4.135 4.340 -0.001 0.000 0.207 351 Q C 1.779 177.825 176.000 0.076 0.000 0.984 351 Q CA 1.688 57.549 55.803 0.098 0.000 0.869 351 Q CB -0.150 28.598 28.738 0.016 0.000 0.906 351 Q HN 0.378 nan 8.270 nan 0.000 0.426 352 R N -1.411 119.122 120.500 0.056 0.000 2.189 352 R HA -0.053 4.286 4.340 -0.001 0.000 0.223 352 R C 1.322 177.446 176.300 -0.293 0.000 1.092 352 R CA 1.245 57.241 56.100 -0.174 0.000 0.989 352 R CB -0.035 30.054 30.300 -0.352 0.000 0.876 352 R HN 0.318 nan 8.270 nan 0.000 0.457 353 F N -0.871 119.157 119.950 0.130 0.000 2.637 353 F HA 0.219 4.746 4.527 -0.000 0.000 0.284 353 F C 0.641 176.491 175.800 0.083 0.000 1.105 353 F CA -0.051 58.023 58.000 0.123 0.000 1.356 353 F CB 0.628 39.749 39.000 0.203 0.000 1.096 353 F HN -0.326 nan 8.300 nan 0.000 0.616 354 S N 1.266 117.128 115.700 0.269 0.000 2.204 354 S HA 0.334 4.804 4.470 -0.001 0.000 0.147 354 S C -2.755 171.912 174.600 0.111 0.000 1.711 354 S CA -1.074 57.218 58.200 0.152 0.000 1.274 354 S CB 0.515 63.791 63.200 0.126 0.000 1.257 354 S HN -0.229 nan 8.310 nan 0.000 0.404 355 P HA 0.101 nan 4.420 nan 0.000 0.264 355 P C -0.104 177.225 177.300 0.048 0.000 1.193 355 P CA 0.468 63.602 63.100 0.057 0.000 0.763 355 P CB 0.090 31.810 31.700 0.034 0.000 0.810 356 D N 1.167 121.593 120.400 0.043 0.000 2.701 356 D HA -0.145 4.494 4.640 -0.001 0.000 0.235 356 D C -0.141 176.177 176.300 0.031 0.000 1.155 356 D CA 0.946 54.966 54.000 0.033 0.000 0.649 356 D CB -1.728 39.090 40.800 0.030 0.000 1.050 356 D HN 0.365 nan 8.370 nan 0.000 0.425 357 S N -1.250 114.473 115.700 0.037 0.000 2.728 357 S HA 0.191 4.660 4.470 -0.001 0.000 0.257 357 S C 0.321 174.931 174.600 0.017 0.000 1.060 357 S CA -0.266 57.952 58.200 0.031 0.000 1.126 357 S CB 1.947 65.174 63.200 0.044 0.000 1.099 357 S HN 0.180 nan 8.310 nan 0.000 0.617 358 V N 5.023 124.951 119.914 0.024 0.000 2.357 358 V HA 0.564 4.683 4.120 -0.001 0.000 0.281 358 V C -0.359 175.724 176.094 -0.018 0.000 1.015 358 V CA -0.653 61.654 62.300 0.013 0.000 0.827 358 V CB 0.549 32.416 31.823 0.072 0.000 1.018 358 V HN 0.561 nan 8.190 nan 0.000 0.432 359 N N 2.633 121.270 118.700 -0.106 0.000 3.449 359 N HA 0.247 4.986 4.740 -0.001 0.000 0.312 359 N C 0.680 175.952 175.510 -0.397 0.000 1.557 359 N CA -0.265 52.647 53.050 -0.230 0.000 0.864 359 N CB 1.715 40.100 38.487 -0.170 0.000 1.799 359 N HN 0.351 nan 8.380 nan 0.000 0.554 360 G N -0.119 108.241 108.800 -0.733 0.000 2.985 360 G HA2 0.089 4.048 3.960 -0.001 0.000 0.209 360 G HA3 0.089 4.048 3.960 -0.001 0.000 0.209 360 G C 0.473 175.166 174.900 -0.346 0.000 1.165 360 G CA 0.474 44.947 45.100 -1.044 0.000 0.776 360 G HN 0.709 nan 8.290 nan 0.000 0.541 361 S N -0.689 114.901 115.700 -0.185 0.000 2.693 361 S HA 0.345 4.814 4.470 -0.001 0.000 0.276 361 S C 0.831 175.422 174.600 -0.016 0.000 1.192 361 S CA -0.477 57.698 58.200 -0.040 0.000 0.994 361 S CB 1.643 64.836 63.200 -0.012 0.000 1.012 361 S HN 0.031 nan 8.310 nan 0.000 0.550 362 E N 0.664 120.874 120.200 0.016 0.000 2.481 362 E HA 0.089 4.438 4.350 -0.001 0.000 0.195 362 E C -0.241 176.370 176.600 0.019 0.000 1.047 362 E CA 0.095 56.508 56.400 0.021 0.000 0.867 362 E CB -0.406 29.312 29.700 0.030 0.000 0.858 362 E HN 0.515 nan 8.360 nan 0.000 0.513 363 N N 1.364 120.074 118.700 0.015 0.000 2.492 363 N HA -0.026 4.713 4.740 -0.001 0.000 0.262 363 N C 1.080 176.605 175.510 0.025 0.000 1.202 363 N CA 0.491 53.553 53.050 0.020 0.000 0.926 363 N CB 1.128 39.626 38.487 0.018 0.000 1.078 363 N HN 0.084 nan 8.380 nan 0.000 0.454 364 T N -2.328 112.245 114.554 0.032 0.000 3.023 364 T HA 0.243 4.593 4.350 -0.001 0.000 0.253 364 T C 1.587 176.312 174.700 0.041 0.000 1.038 364 T CA 0.166 62.291 62.100 0.042 0.000 0.962 364 T CB 0.179 69.076 68.868 0.049 0.000 1.018 364 T HN 0.370 nan 8.240 nan 0.000 0.521 365 A N 2.030 124.870 122.820 0.032 0.000 1.892 365 A HA 0.148 4.468 4.320 -0.001 0.000 0.218 365 A C 2.549 180.152 177.584 0.032 0.000 1.188 365 A CA 1.950 54.004 52.037 0.029 0.000 0.631 365 A CB -1.604 17.411 19.000 0.025 0.000 0.822 365 A HN 0.610 nan 8.150 nan 0.000 0.447 366 G N -0.533 108.286 108.800 0.033 0.000 2.402 366 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.216 366 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.216 366 G C 1.458 176.385 174.900 0.046 0.000 1.162 366 G CA 1.110 46.232 45.100 0.036 0.000 0.777 366 G HN 0.462 nan 8.290 nan 0.000 0.539 367 L N 1.913 123.170 121.223 0.057 0.000 1.971 367 L HA -0.128 4.212 4.340 -0.001 0.000 0.215 367 L C 2.931 179.849 176.870 0.080 0.000 1.072 367 L CA 2.853 57.743 54.840 0.083 0.000 0.758 367 L CB -0.711 41.411 42.059 0.105 0.000 0.889 367 L HN 0.487 nan 8.230 nan 0.000 0.433 368 K N -0.990 119.449 120.400 0.065 0.000 2.283 368 K HA -0.209 4.110 4.320 -0.001 0.000 0.202 368 K C 2.245 178.864 176.600 0.033 0.000 1.048 368 K CA 1.376 57.693 56.287 0.050 0.000 0.948 368 K CB -0.442 32.080 32.500 0.036 0.000 0.742 368 K HN 0.384 nan 8.250 nan 0.000 0.458 369 R N 1.446 121.964 120.500 0.031 0.000 2.075 369 R HA -0.043 4.297 4.340 -0.001 0.000 0.226 369 R C 1.517 177.828 176.300 0.020 0.000 1.114 369 R CA 1.613 57.727 56.100 0.022 0.000 0.972 369 R CB -0.246 30.068 30.300 0.022 0.000 0.869 369 R HN 0.369 nan 8.270 nan 0.000 0.437 370 N N 0.500 119.216 118.700 0.026 0.000 2.149 370 N HA -0.188 4.551 4.740 -0.001 0.000 0.188 370 N C 1.605 177.113 175.510 -0.003 0.000 1.019 370 N CA 0.922 53.983 53.050 0.018 0.000 0.857 370 N CB -0.095 38.409 38.487 0.028 0.000 0.997 370 N HN 0.065 nan 8.380 nan 0.000 0.426 371 L N 1.390 122.618 121.223 0.008 0.000 2.081 371 L HA -0.196 4.144 4.340 -0.001 0.000 0.212 371 L C 1.083 177.945 176.870 -0.013 0.000 1.080 371 L CA 1.800 56.639 54.840 -0.002 0.000 0.754 371 L CB -0.574 41.509 42.059 0.041 0.000 0.893 371 L HN 0.219 nan 8.230 nan 0.000 0.433 372 D N -1.338 119.058 120.400 -0.006 0.000 2.348 372 D HA -0.013 4.627 4.640 -0.001 0.000 0.211 372 D C 0.914 177.209 176.300 -0.008 0.000 0.998 372 D CA 0.155 54.150 54.000 -0.009 0.000 0.873 372 D CB 0.117 40.914 40.800 -0.005 0.000 0.925 372 D HN 0.171 nan 8.370 nan 0.000 0.524 373 K N 1.481 121.877 120.400 -0.006 0.000 2.469 373 K HA 0.080 4.399 4.320 -0.001 0.000 0.274 373 K C 0.141 176.734 176.600 -0.011 0.000 0.983 373 K CA 0.328 56.612 56.287 -0.005 0.000 0.974 373 K CB 0.561 33.060 32.500 -0.001 0.000 0.913 373 K HN 0.102 nan 8.250 nan 0.000 0.493 374 D N -0.164 120.231 120.400 -0.008 0.000 2.712 374 D HA 0.239 4.879 4.640 -0.001 0.000 0.252 374 D C -0.917 175.379 176.300 -0.006 0.000 1.123 374 D CA -0.753 53.242 54.000 -0.010 0.000 1.109 374 D CB 0.388 41.184 40.800 -0.008 0.000 1.313 374 D HN 0.379 nan 8.370 nan 0.000 0.629 375 D N -0.875 119.522 120.400 -0.006 0.000 2.745 375 D HA -0.255 4.384 4.640 -0.001 0.000 0.225 375 D C -0.734 175.564 176.300 -0.003 0.000 1.212 375 D CA 1.063 55.061 54.000 -0.004 0.000 0.632 375 D CB -1.493 39.307 40.800 0.001 0.000 0.994 375 D HN 0.580 nan 8.370 nan 0.000 0.407 376 N N -0.834 117.860 118.700 -0.011 0.000 2.431 376 N HA 0.270 5.010 4.740 -0.001 0.000 0.275 376 N C 0.040 175.526 175.510 -0.038 0.000 1.091 376 N CA -0.680 52.364 53.050 -0.011 0.000 0.922 376 N CB 1.497 39.983 38.487 -0.001 0.000 1.666 376 N HN -0.124 nan 8.380 nan 0.000 0.484 377 K N 1.487 121.859 120.400 -0.045 0.000 2.511 377 K HA 0.295 4.614 4.320 -0.001 0.000 0.206 377 K C -0.202 176.322 176.600 -0.126 0.000 1.333 377 K CA -0.239 55.994 56.287 -0.090 0.000 0.957 377 K CB 0.789 33.237 32.500 -0.087 0.000 1.172 377 K HN 0.436 nan 8.250 nan 0.000 0.547 378 I N 1.955 122.483 120.570 -0.070 0.000 2.395 378 I HA 0.235 4.405 4.170 -0.001 0.000 0.289 378 I C -0.958 175.111 176.117 -0.080 0.000 1.023 378 I CA -0.382 60.874 61.300 -0.073 0.000 1.350 378 I CB 0.569 38.558 38.000 -0.018 0.000 1.409 378 I HN 0.007 nan 8.210 nan 0.000 0.507 379 I N 8.013 128.480 120.570 -0.171 0.000 2.439 379 I HA 0.289 4.459 4.170 -0.001 0.000 0.283 379 I C -0.897 175.209 176.117 -0.018 0.000 1.023 379 I CA -0.791 60.419 61.300 -0.150 0.000 1.100 379 I CB 1.581 39.331 38.000 -0.416 0.000 1.238 379 I HN 0.188 nan 8.210 nan 0.000 0.445 380 V N 5.063 124.996 119.914 0.032 0.000 2.509 380 V HA 0.623 4.743 4.120 -0.001 0.000 0.284 380 V C 0.181 176.251 176.094 -0.041 0.000 1.047 380 V CA -0.085 62.199 62.300 -0.027 0.000 0.952 380 V CB 1.486 33.225 31.823 -0.139 0.000 0.988 380 V HN 0.809 nan 8.190 nan 0.000 0.469 381 T N 2.116 116.615 114.554 -0.092 0.000 2.749 381 T HA 0.497 4.846 4.350 -0.001 0.000 0.310 381 T C -0.396 174.244 174.700 -0.101 0.000 1.496 381 T CA 0.045 62.122 62.100 -0.040 0.000 1.006 381 T CB 1.928 70.852 68.868 0.094 0.000 1.457 381 T HN 0.986 nan 8.240 nan 0.000 0.497 382 T N 0.575 115.096 114.554 -0.054 0.000 2.902 382 T HA 0.479 4.829 4.350 -0.001 0.000 0.280 382 T C 1.423 176.132 174.700 0.015 0.000 0.992 382 T CA -0.566 61.504 62.100 -0.049 0.000 1.015 382 T CB 0.881 69.722 68.868 -0.046 0.000 1.044 382 T HN 0.472 nan 8.240 nan 0.000 0.520 383 I N 0.991 121.587 120.570 0.044 0.000 2.394 383 I HA -0.080 4.089 4.170 -0.001 0.000 0.251 383 I C 2.383 178.536 176.117 0.060 0.000 1.136 383 I CA 1.521 62.880 61.300 0.098 0.000 1.425 383 I CB -0.476 37.611 38.000 0.144 0.000 1.079 383 I HN 0.686 nan 8.210 nan 0.000 0.425 384 Q N 0.581 120.403 119.800 0.038 0.000 2.050 384 Q HA -0.207 4.133 4.340 -0.001 0.000 0.202 384 Q C 2.238 178.256 176.000 0.029 0.000 0.980 384 Q CA 1.913 57.734 55.803 0.029 0.000 0.840 384 Q CB -0.318 28.434 28.738 0.024 0.000 0.898 384 Q HN 0.436 nan 8.270 nan 0.000 0.424 385 K N -0.119 120.298 120.400 0.028 0.000 2.026 385 K HA -0.133 4.186 4.320 -0.001 0.000 0.208 385 K C 2.034 178.669 176.600 0.058 0.000 1.048 385 K CA 1.149 57.459 56.287 0.038 0.000 0.929 385 K CB -0.370 32.150 32.500 0.034 0.000 0.713 385 K HN 0.103 nan 8.250 nan 0.000 0.439 386 L N 2.015 123.279 121.223 0.069 0.000 2.042 386 L HA -0.225 4.115 4.340 -0.001 0.000 0.210 386 L C 1.947 178.850 176.870 0.055 0.000 1.076 386 L CA 1.809 56.696 54.840 0.078 0.000 0.749 386 L CB -0.665 41.435 42.059 0.068 0.000 0.893 386 L HN 0.152 nan 8.230 nan 0.000 0.432 387 N N -0.375 118.343 118.700 0.030 0.000 2.094 387 N HA -0.244 4.496 4.740 -0.001 0.000 0.191 387 N C 1.631 177.151 175.510 0.018 0.000 1.023 387 N CA 1.863 54.915 53.050 0.004 0.000 0.857 387 N CB -0.207 38.273 38.487 -0.012 0.000 1.013 387 N HN 0.403 nan 8.380 nan 0.000 0.426 388 N N 0.168 118.886 118.700 0.030 0.000 2.084 388 N HA -0.090 4.649 4.740 -0.001 0.000 0.190 388 N C 0.738 176.277 175.510 0.047 0.000 1.030 388 N CA 0.298 53.368 53.050 0.033 0.000 0.849 388 N CB -0.761 37.746 38.487 0.033 0.000 1.012 388 N HN 0.306 nan 8.380 nan 0.000 0.423 392 A N 1.212 124.057 122.820 0.042 0.000 2.168 392 A HA 0.008 4.328 4.320 -0.001 0.000 0.215 392 A C 0.226 177.837 177.584 0.044 0.000 1.152 392 A CA 1.316 53.376 52.037 0.037 0.000 0.716 392 A CB 0.051 19.072 19.000 0.035 0.000 0.794 392 A HN 0.214 nan 8.150 nan 0.000 0.465 393 E N -2.265 117.976 120.200 0.068 0.000 2.343 393 E HA 0.537 4.886 4.350 -0.001 0.000 0.288 393 E C -0.193 176.506 176.600 0.165 0.000 0.907 393 E CA -0.091 56.363 56.400 0.090 0.000 0.792 393 E CB 1.473 31.226 29.700 0.088 0.000 1.275 393 E HN -0.048 nan 8.360 nan 0.000 0.402 394 S N 2.322 118.106 115.700 0.141 0.000 2.663 394 S HA 0.129 4.598 4.470 -0.001 0.000 0.247 394 S C -0.015 174.720 174.600 0.225 0.000 1.074 394 S CA -0.172 58.139 58.200 0.185 0.000 0.955 394 S CB 0.432 63.682 63.200 0.082 0.000 0.901 394 S HN 0.438 nan 8.310 nan 0.000 0.505 395 D N 1.662 122.112 120.400 0.084 0.000 2.788 395 D HA 0.334 4.974 4.640 -0.001 0.000 0.289 395 D C -0.713 175.513 176.300 -0.124 0.000 1.340 395 D CA -0.091 53.925 54.000 0.026 0.000 0.831 395 D CB 0.185 40.993 40.800 0.014 0.000 1.103 395 D HN 0.278 nan 8.370 nan 0.000 0.476 396 L N 1.114 122.090 121.223 -0.411 0.000 2.462 396 L HA 0.163 4.502 4.340 -0.001 0.000 0.272 396 L C -0.920 175.694 176.870 -0.426 0.000 1.166 396 L CA -1.248 53.261 54.840 -0.551 0.000 0.880 396 L CB 0.611 42.095 42.059 -0.957 0.000 1.142 396 L HN -0.127 nan 8.230 nan 0.000 0.473 397 P HA -0.206 nan 4.420 nan 0.000 0.216 397 P C 1.664 178.903 177.300 -0.102 0.000 1.154 397 P CA 1.058 64.091 63.100 -0.110 0.000 0.865 397 P CB 0.033 31.693 31.700 -0.067 0.000 0.789 398 V N -2.168 117.660 119.914 -0.143 0.000 2.546 398 V HA -0.280 3.839 4.120 -0.001 0.000 0.254 398 V C 2.231 178.342 176.094 0.027 0.000 1.076 398 V CA 1.685 63.983 62.300 -0.003 0.000 1.087 398 V CB -1.900 29.991 31.823 0.114 0.000 0.674 398 V HN 0.018 nan 8.190 nan 0.000 0.470 399 Y N 1.394 121.542 120.300 -0.253 0.000 2.256 399 Y HA -0.131 4.419 4.550 -0.000 0.000 0.288 399 Y C 2.322 178.147 175.900 -0.126 0.000 1.155 399 Y CA 1.033 58.873 58.100 -0.432 0.000 1.203 399 Y CB -0.806 37.429 38.460 -0.375 0.000 0.980 399 Y HN 0.427 nan 8.280 nan 0.000 0.530 400 N N -0.107 118.650 118.700 0.095 0.000 2.280 400 N HA 0.006 4.746 4.740 -0.001 0.000 0.192 400 N C 0.314 175.850 175.510 0.043 0.000 1.109 400 N CA 0.161 53.245 53.050 0.055 0.000 0.855 400 N CB 0.257 38.763 38.487 0.032 0.000 0.974 400 N HN 0.473 nan 8.380 nan 0.000 0.482 401 Q N 0.408 120.264 119.800 0.093 0.000 2.237 401 Q HA 0.204 4.544 4.340 -0.001 0.000 0.219 401 Q C -0.203 175.870 176.000 0.122 0.000 0.999 401 Q CA -0.483 55.375 55.803 0.092 0.000 0.959 401 Q CB 0.776 29.576 28.738 0.104 0.000 1.173 401 Q HN -0.089 nan 8.270 nan 0.000 0.527 402 Q N 1.039 120.911 119.800 0.120 0.000 2.337 402 Q HA 0.291 4.630 4.340 -0.001 0.000 0.255 402 Q C -1.624 174.524 176.000 0.247 0.000 0.997 402 Q CA 0.007 55.926 55.803 0.193 0.000 0.925 402 Q CB 0.666 29.529 28.738 0.207 0.000 1.212 402 Q HN 0.299 nan 8.270 nan 0.000 0.436 403 V N 4.584 124.693 119.914 0.325 0.000 2.604 403 V HA 0.530 4.650 4.120 -0.001 0.000 0.305 403 V C -0.680 175.598 176.094 0.306 0.000 1.043 403 V CA -0.868 61.580 62.300 0.248 0.000 0.888 403 V CB 2.231 34.211 31.823 0.263 0.000 0.995 403 V HN 0.503 nan 8.190 nan 0.000 0.429 404 V N 4.896 124.906 119.914 0.160 0.000 2.459 404 V HA 0.539 4.658 4.120 -0.001 0.000 0.295 404 V C -0.816 175.287 176.094 0.014 0.000 1.029 404 V CA -0.440 62.029 62.300 0.282 0.000 0.874 404 V CB 1.594 33.583 31.823 0.276 0.000 0.985 404 V HN 0.676 nan 8.190 nan 0.000 0.438 405 F N 5.028 125.185 119.950 0.345 0.000 2.444 405 F HA 0.594 5.121 4.527 -0.000 0.000 0.342 405 F C 0.142 176.083 175.800 0.235 0.000 1.121 405 F CA -0.657 57.398 58.000 0.091 0.000 0.997 405 F CB 1.486 40.387 39.000 -0.164 0.000 1.130 405 F HN 0.178 nan 8.300 nan 0.000 0.454 406 I N 4.745 125.480 120.570 0.274 0.000 2.382 406 I HA 0.271 4.440 4.170 -0.001 0.000 0.285 406 I C -0.932 175.289 176.117 0.174 0.000 1.007 406 I CA -0.525 61.004 61.300 0.382 0.000 1.142 406 I CB 0.887 39.151 38.000 0.440 0.000 1.289 406 I HN 0.403 nan 8.210 nan 0.000 0.453 407 F N 3.814 124.005 119.950 0.401 0.000 2.410 407 F HA 0.240 4.767 4.527 -0.000 0.000 0.349 407 F C 0.663 176.558 175.800 0.158 0.000 1.117 407 F CA -0.574 57.553 58.000 0.210 0.000 1.104 407 F CB 1.107 40.260 39.000 0.255 0.000 1.122 407 F HN 0.394 nan 8.300 nan 0.000 0.483 408 D N 3.564 124.057 120.400 0.156 0.000 2.428 408 D HA 0.122 4.761 4.640 -0.001 0.000 0.221 408 D C -0.082 176.270 176.300 0.088 0.000 1.123 408 D CA -0.270 53.806 54.000 0.127 0.000 0.869 408 D CB 0.405 41.230 40.800 0.041 0.000 1.032 408 D HN 0.537 nan 8.370 nan 0.000 0.506 409 E N 2.213 122.473 120.200 0.100 0.000 2.222 409 E HA -0.222 4.128 4.350 -0.001 0.000 0.189 409 E C -1.234 175.334 176.600 -0.052 0.000 1.415 409 E CA 0.238 56.646 56.400 0.013 0.000 0.689 409 E CB -1.581 28.157 29.700 0.063 0.000 1.107 409 E HN 0.405 nan 8.360 nan 0.000 0.350 410 C N 2.540 121.751 119.300 -0.148 0.000 2.227 410 C HA 0.555 5.015 4.460 -0.001 0.000 0.333 410 C C 1.210 176.052 174.990 -0.246 0.000 1.145 410 C CA 0.110 59.031 59.018 -0.163 0.000 1.643 410 C CB -1.675 26.007 27.740 -0.097 0.000 2.185 410 C HN 0.760 nan 8.230 nan 0.000 0.497 411 H N 1.262 120.262 119.070 -0.116 0.000 3.174 411 H HA 0.194 4.750 4.556 -0.001 0.000 0.309 411 H C 1.319 176.615 175.328 -0.052 0.000 0.994 411 H CA 1.273 57.275 56.048 -0.078 0.000 1.291 411 H CB 0.110 nan 29.762 nan 0.000 1.160 411 H HN 0.983 nan 8.280 nan 0.000 0.603 412 R N 1.359 121.825 120.500 -0.056 0.000 2.275 412 R HA 0.191 4.530 4.340 -0.001 0.000 0.199 412 R C 2.706 179.030 176.300 0.040 0.000 0.989 412 R CA 1.938 58.013 56.100 -0.043 0.000 1.016 412 R CB -0.630 nan 30.300 nan 0.000 0.918 412 R HN 1.291 nan 8.270 nan 0.000 0.473 413 S N -1.466 114.253 115.700 0.032 0.000 2.691 413 S HA -0.054 4.416 4.470 -0.001 0.000 0.241 413 S C 1.828 176.431 174.600 0.006 0.000 1.077 413 S CA 0.385 58.592 58.200 0.011 0.000 0.900 413 S CB 0.107 63.309 63.200 0.002 0.000 0.805 413 S HN 0.327 nan 8.310 nan 0.000 0.529 414 Q N 0.701 120.516 119.800 0.024 0.000 2.133 414 Q HA -0.101 4.238 4.340 -0.001 0.000 0.208 414 Q C 1.748 177.762 176.000 0.024 0.000 0.991 414 Q CA 1.655 57.472 55.803 0.023 0.000 0.867 414 Q CB -0.807 27.956 28.738 0.042 0.000 0.911 414 Q HN 0.706 nan 8.270 nan 0.000 0.417 415 F N 0.263 120.139 119.950 -0.123 0.000 2.269 415 F HA -0.048 4.478 4.527 -0.001 0.000 0.301 415 F C 1.925 177.589 175.800 -0.226 0.000 1.082 415 F CA 1.471 59.352 58.000 -0.198 0.000 1.360 415 F CB -0.302 38.564 39.000 -0.224 0.000 1.041 415 F HN 0.069 nan 8.300 nan 0.000 0.512 416 G N -0.740 107.938 108.800 -0.204 0.000 2.408 416 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.215 416 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.215 416 G C 1.567 176.291 174.900 -0.294 0.000 1.156 416 G CA 0.489 45.416 45.100 -0.289 0.000 0.793 416 G HN 0.421 nan 8.290 nan 0.000 0.535 417 E N 0.361 120.437 120.200 -0.206 0.000 2.106 417 E HA -0.008 4.342 4.350 -0.001 0.000 0.192 417 E C 2.773 179.238 176.600 -0.225 0.000 0.984 417 E CA 0.715 57.010 56.400 -0.176 0.000 0.806 417 E CB -0.095 29.541 29.700 -0.107 0.000 0.750 417 E HN 0.340 nan 8.360 nan 0.000 0.458 418 A N 0.937 123.590 122.820 -0.278 0.000 1.902 418 A HA -0.211 4.109 4.320 -0.001 0.000 0.217 418 A C 2.117 179.432 177.584 -0.448 0.000 1.181 418 A CA 1.140 52.991 52.037 -0.310 0.000 0.623 418 A CB -0.379 18.446 19.000 -0.291 0.000 0.818 418 A HN 0.204 nan 8.150 nan 0.000 0.443 419 Q N 0.101 119.516 119.800 -0.641 0.000 2.020 419 Q HA -0.181 4.158 4.340 -0.001 0.000 0.202 419 Q C 2.038 177.790 176.000 -0.412 0.000 0.982 419 Q CA 1.780 57.191 55.803 -0.653 0.000 0.838 419 Q CB -0.427 27.836 28.738 -0.792 0.000 0.899 419 Q HN 0.717 nan 8.270 nan 0.000 0.423 420 K N 0.397 120.606 120.400 -0.320 0.000 2.059 420 K HA -0.170 4.150 4.320 -0.001 0.000 0.212 420 K C 1.804 178.288 176.600 -0.194 0.000 1.050 420 K CA 1.447 57.602 56.287 -0.220 0.000 0.927 420 K CB -0.116 32.281 32.500 -0.173 0.000 0.714 420 K HN 0.228 nan 8.250 nan 0.000 0.447 421 N N 0.879 119.461 118.700 -0.197 0.000 2.207 421 N HA -0.109 4.630 4.740 -0.001 0.000 0.182 421 N C 1.846 177.253 175.510 -0.171 0.000 1.020 421 N CA 0.672 53.625 53.050 -0.161 0.000 0.858 421 N CB -0.321 38.094 38.487 -0.119 0.000 0.991 421 N HN 0.077 nan 8.380 nan 0.000 0.427 422 L N 2.319 123.406 121.223 -0.227 0.000 1.971 422 L HA -0.159 4.181 4.340 -0.001 0.000 0.215 422 L C 1.805 178.521 176.870 -0.257 0.000 1.072 422 L CA 1.846 56.524 54.840 -0.271 0.000 0.758 422 L CB -1.085 40.577 42.059 -0.662 0.000 0.889 422 L HN -0.023 nan 8.230 nan 0.000 0.433 423 K N -0.186 120.042 120.400 -0.286 0.000 2.044 423 K HA -0.259 4.060 4.320 -0.001 0.000 0.210 423 K C 2.280 178.870 176.600 -0.016 0.000 1.049 423 K CA 2.093 58.325 56.287 -0.093 0.000 0.927 423 K CB -0.319 32.119 32.500 -0.104 0.000 0.713 423 K HN 0.380 nan 8.250 nan 0.000 0.443 424 K N 0.904 121.251 120.400 -0.089 0.000 2.063 424 K HA -0.174 4.146 4.320 -0.001 0.000 0.208 424 K C 1.858 178.387 176.600 -0.118 0.000 1.048 424 K CA 1.605 57.837 56.287 -0.091 0.000 0.928 424 K CB 0.132 32.559 32.500 -0.122 0.000 0.713 424 K HN 0.035 nan 8.250 nan 0.000 0.442 425 K N -1.463 118.826 120.400 -0.184 0.000 2.387 425 K HA 0.120 4.439 4.320 -0.001 0.000 0.197 425 K C -0.223 176.078 176.600 -0.499 0.000 1.127 425 K CA -0.198 55.793 56.287 -0.494 0.000 0.950 425 K CB 0.481 32.442 32.500 -0.898 0.000 1.017 425 K HN -0.107 nan 8.250 nan 0.000 0.519 426 F N 2.094 121.941 119.950 -0.170 0.000 2.438 426 F HA 0.120 4.646 4.527 -0.001 0.000 0.356 426 F C 1.258 177.202 175.800 0.240 0.000 1.099 426 F CA -0.129 57.954 58.000 0.138 0.000 1.185 426 F CB 1.077 40.258 39.000 0.301 0.000 1.115 426 F HN -0.270 nan 8.300 nan 0.000 0.526 427 K N 2.834 123.392 120.400 0.263 0.000 2.314 427 K HA 0.146 4.465 4.320 -0.001 0.000 0.198 427 K C 0.167 176.765 176.600 -0.004 0.000 1.045 427 K CA 0.548 56.909 56.287 0.124 0.000 0.988 427 K CB 0.254 32.773 32.500 0.033 0.000 0.783 427 K HN 0.562 nan 8.250 nan 0.000 0.484 428 R N 0.579 121.095 120.500 0.027 0.000 2.850 428 R HA 0.201 4.541 4.340 -0.001 0.000 0.266 428 R C -1.399 174.862 176.300 -0.064 0.000 1.782 428 R CA -0.485 55.434 56.100 -0.302 0.000 1.310 428 R CB 0.901 30.775 30.300 -0.710 0.000 1.337 428 R HN 0.051 nan 8.270 nan 0.000 0.546 429 Y N -0.898 119.331 120.300 -0.120 0.000 2.553 429 Y HA 0.667 5.216 4.550 -0.001 0.000 0.347 429 Y C -1.477 174.234 175.900 -0.315 0.000 1.019 429 Y CA -1.588 56.488 58.100 -0.040 0.000 1.032 429 Y CB 1.356 40.003 38.460 0.312 0.000 1.284 429 Y HN 0.170 nan 8.280 nan 0.000 0.466 430 Y N 2.002 122.660 120.300 0.597 0.000 2.332 430 Y HA 0.393 4.943 4.550 -0.001 0.000 0.326 430 Y C -0.756 175.459 175.900 0.525 0.000 0.978 430 Y CA -1.033 57.348 58.100 0.469 0.000 1.205 430 Y CB 1.863 40.641 38.460 0.529 0.000 1.131 430 Y HN 0.672 nan 8.280 nan 0.000 0.462 431 Q N 2.193 122.250 119.800 0.429 0.000 2.337 431 Q HA 0.823 5.163 4.340 -0.001 0.000 0.266 431 Q C -1.928 174.253 176.000 0.302 0.000 1.023 431 Q CA -0.781 55.368 55.803 0.576 0.000 0.829 431 Q CB 2.210 31.329 28.738 0.635 0.000 1.306 431 Q HN 0.500 nan 8.270 nan 0.000 0.449 432 F N 0.221 120.599 119.950 0.713 0.000 2.576 432 F HA 0.789 5.315 4.527 -0.001 0.000 0.313 432 F C 0.251 176.170 175.800 0.198 0.000 1.078 432 F CA -0.788 57.452 58.000 0.400 0.000 0.921 432 F CB 2.703 41.888 39.000 0.307 0.000 1.232 432 F HN 0.775 nan 8.300 nan 0.000 0.459 433 G N 1.072 109.605 108.800 -0.445 0.000 2.524 433 G HA2 0.679 4.638 3.960 -0.001 0.000 0.310 433 G HA3 0.679 4.638 3.960 -0.001 0.000 0.310 433 G C -2.132 172.669 174.900 -0.164 0.000 1.279 433 G CA -0.541 44.305 45.100 -0.424 0.000 0.974 433 G HN 0.303 nan 8.290 nan 0.000 0.484 434 F N 0.492 120.420 119.950 -0.036 0.000 2.458 434 F HA 0.742 5.269 4.527 -0.001 0.000 0.336 434 F C 0.634 176.440 175.800 0.010 0.000 1.114 434 F CA -0.544 57.477 58.000 0.035 0.000 0.987 434 F CB 2.868 41.937 39.000 0.115 0.000 1.130 434 F HN 0.463 nan 8.300 nan 0.000 0.458 435 T N 0.740 115.406 114.554 0.186 0.000 2.894 435 T HA 0.536 4.885 4.350 -0.001 0.000 0.309 435 T C 0.498 175.320 174.700 0.204 0.000 1.208 435 T CA -0.191 61.962 62.100 0.088 0.000 1.016 435 T CB 1.516 70.306 68.868 -0.131 0.000 1.192 435 T HN 0.679 nan 8.240 nan 0.000 0.491 436 G N 0.889 109.780 108.800 0.152 0.000 2.986 436 G HA2 0.287 4.246 3.960 -0.001 0.000 0.213 436 G HA3 0.287 4.246 3.960 -0.001 0.000 0.213 436 G C 0.389 175.297 174.900 0.014 0.000 1.156 436 G CA 0.486 45.738 45.100 0.254 0.000 0.763 436 G HN 1.029 nan 8.290 nan 0.000 0.547 437 T N -0.599 113.765 114.554 -0.317 0.000 3.296 437 T HA 0.510 4.859 4.350 -0.001 0.000 0.333 437 T C -3.109 171.277 174.700 -0.523 0.000 1.280 437 T CA -1.728 59.931 62.100 -0.736 0.000 1.558 437 T CB 2.329 70.677 68.868 -0.866 0.000 0.929 437 T HN -0.153 nan 8.240 nan 0.000 0.596 438 P HA 0.260 nan 4.420 nan 0.000 0.269 438 P C -0.146 176.592 177.300 -0.936 0.000 1.217 438 P CA -0.458 62.112 63.100 -0.882 0.000 0.783 438 P CB 0.552 31.523 31.700 -1.215 0.000 0.898 439 I N 1.805 121.909 120.570 -0.775 0.000 2.297 439 I HA 0.266 4.435 4.170 -0.001 0.000 0.291 439 I C 0.220 175.956 176.117 -0.636 0.000 1.033 439 I CA -0.296 60.634 61.300 -0.616 0.000 1.253 439 I CB -0.199 37.585 38.000 -0.360 0.000 1.396 439 I HN 0.184 nan 8.210 nan 0.000 0.476 440 F N 6.484 126.343 119.950 -0.153 0.000 2.403 440 F HA 0.413 4.939 4.527 -0.001 0.000 0.326 440 F C -1.334 174.397 175.800 -0.114 0.000 1.099 440 F CA -2.063 55.858 58.000 -0.133 0.000 1.036 440 F CB -0.213 38.705 39.000 -0.137 0.000 1.336 440 F HN 0.247 nan 8.300 nan 0.000 0.497 441 P HA -0.135 nan 4.420 nan 0.000 0.218 441 P C 0.715 178.019 177.300 0.006 0.000 1.148 441 P CA 1.542 64.661 63.100 0.031 0.000 0.822 441 P CB 0.108 31.822 31.700 0.022 0.000 0.784 442 E N -0.142 120.071 120.200 0.023 0.000 2.072 442 E HA -0.151 4.199 4.350 -0.001 0.000 0.191 442 E C 1.218 177.766 176.600 -0.086 0.000 0.985 442 E CA 1.395 57.772 56.400 -0.037 0.000 0.801 442 E CB -1.011 28.654 29.700 -0.059 0.000 0.750 442 E HN 0.578 nan 8.360 nan 0.000 0.452 443 N N -0.560 118.090 118.700 -0.084 0.000 2.279 443 N HA 0.309 5.048 4.740 -0.001 0.000 0.226 443 N C 1.201 176.646 175.510 -0.109 0.000 1.126 443 N CA 0.341 53.298 53.050 -0.155 0.000 0.846 443 N CB 0.665 39.029 38.487 -0.205 0.000 1.050 443 N HN 0.076 nan 8.380 nan 0.000 0.502 444 A N 0.771 123.542 122.820 -0.082 0.000 1.898 444 A HA -0.019 4.300 4.320 -0.001 0.000 0.216 444 A C 1.014 178.558 177.584 -0.067 0.000 1.181 444 A CA 0.380 52.369 52.037 -0.080 0.000 0.620 444 A CB -0.417 18.547 19.000 -0.060 0.000 0.819 444 A HN 0.424 nan 8.150 nan 0.000 0.442 445 L N -0.213 120.977 121.223 -0.055 0.000 2.559 445 L HA 0.372 4.712 4.340 -0.001 0.000 0.282 445 L C 1.317 178.167 176.870 -0.034 0.000 1.232 445 L CA 1.499 56.314 54.840 -0.041 0.000 0.885 445 L CB -0.463 41.575 42.059 -0.035 0.000 1.131 445 L HN 0.988 nan 8.230 nan 0.000 0.498 446 G N 3.168 111.948 108.800 -0.033 0.000 4.933 446 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.285 446 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.285 446 G C 0.205 175.076 174.900 -0.048 0.000 1.596 446 G CA 0.112 45.190 45.100 -0.036 0.000 1.081 446 G HN 0.921 nan 8.290 nan 0.000 0.710 447 S N 1.518 117.185 115.700 -0.056 0.000 2.654 447 S HA 0.568 5.038 4.470 -0.001 0.000 0.283 447 S C 0.015 174.570 174.600 -0.075 0.000 1.180 447 S CA -0.496 57.665 58.200 -0.065 0.000 1.021 447 S CB 1.811 64.972 63.200 -0.066 0.000 1.018 447 S HN 0.615 nan 8.310 nan 0.000 0.532 448 E N 2.141 122.292 120.200 -0.082 0.000 2.452 448 E HA 0.045 4.395 4.350 -0.001 0.000 0.261 448 E C 0.472 177.013 176.600 -0.098 0.000 0.987 448 E CA 0.004 56.350 56.400 -0.090 0.000 0.926 448 E CB 0.379 30.011 29.700 -0.114 0.000 0.934 448 E HN 0.662 nan 8.360 nan 0.000 0.452 449 T N 0.745 115.241 114.554 -0.097 0.000 2.903 449 T HA -0.022 4.327 4.350 -0.001 0.000 0.314 449 T C 1.277 175.884 174.700 -0.156 0.000 1.078 449 T CA -0.250 61.772 62.100 -0.130 0.000 1.114 449 T CB 1.090 69.909 68.868 -0.082 0.000 0.987 449 T HN 0.396 nan 8.240 nan 0.000 0.548 450 T N 2.506 116.908 114.554 -0.254 0.000 2.665 450 T HA -0.148 4.201 4.350 -0.001 0.000 0.268 450 T C 2.436 176.971 174.700 -0.275 0.000 1.035 450 T CA 1.722 63.643 62.100 -0.298 0.000 1.151 450 T CB -0.999 67.495 68.868 -0.622 0.000 0.862 450 T HN 0.859 nan 8.240 nan 0.000 0.438 451 A N 1.605 124.260 122.820 -0.275 0.000 1.927 451 A HA -0.190 4.130 4.320 -0.001 0.000 0.220 451 A C 2.611 180.224 177.584 0.048 0.000 1.185 451 A CA 2.673 54.716 52.037 0.010 0.000 0.639 451 A CB -1.122 17.949 19.000 0.118 0.000 0.820 451 A HN 0.610 nan 8.150 nan 0.000 0.451 452 S N -0.859 114.828 115.700 -0.021 0.000 2.387 452 S HA -0.084 4.386 4.470 -0.001 0.000 0.226 452 S C 1.814 176.370 174.600 -0.073 0.000 1.026 452 S CA 1.460 59.643 58.200 -0.029 0.000 0.972 452 S CB -0.629 62.543 63.200 -0.047 0.000 0.814 452 S HN 0.272 nan 8.310 nan 0.000 0.477 453 V N 0.203 120.031 119.914 -0.143 0.000 2.323 453 V HA 0.030 4.149 4.120 -0.001 0.000 0.244 453 V C 2.044 177.917 176.094 -0.369 0.000 1.041 453 V CA 1.891 63.989 62.300 -0.337 0.000 1.025 453 V CB -0.774 30.739 31.823 -0.516 0.000 0.656 453 V HN 0.572 nan 8.190 nan 0.000 0.451 454 F N -0.887 119.092 119.950 0.049 0.000 2.678 454 F HA 0.509 5.035 4.527 -0.001 0.000 0.291 454 F C 1.614 177.516 175.800 0.171 0.000 1.123 454 F CA 0.823 58.899 58.000 0.127 0.000 1.395 454 F CB 0.528 39.644 39.000 0.194 0.000 1.121 454 F HN 0.320 nan 8.300 nan 0.000 0.592 455 G N 0.755 109.759 108.800 0.341 0.000 2.578 455 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.232 455 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.232 455 G C -0.232 174.889 174.900 0.368 0.000 1.176 455 G CA -0.825 44.446 45.100 0.285 0.000 0.968 455 G HN 0.082 nan 8.290 nan 0.000 0.583 456 R N 1.571 122.219 120.500 0.246 0.000 2.590 456 R HA 0.293 4.633 4.340 -0.001 0.000 0.274 456 R C 0.431 176.678 176.300 -0.088 0.000 1.061 456 R CA -0.164 56.021 56.100 0.141 0.000 1.081 456 R CB 0.603 30.975 30.300 0.119 0.000 0.984 456 R HN 0.605 nan 8.270 nan 0.000 0.448 457 E N 3.368 123.350 120.200 -0.364 0.000 2.220 457 E HA -0.046 4.304 4.350 -0.001 0.000 0.272 457 E C 0.658 177.092 176.600 -0.277 0.000 1.099 457 E CA -0.097 55.834 56.400 -0.780 0.000 0.907 457 E CB 0.509 29.893 29.700 -0.527 0.000 1.022 457 E HN 0.503 nan 8.360 nan 0.000 0.428 458 L N 3.959 125.057 121.223 -0.210 0.000 2.209 458 L HA 0.072 4.412 4.340 -0.001 0.000 0.207 458 L C 1.230 178.119 176.870 0.032 0.000 1.094 458 L CA 0.578 55.406 54.840 -0.020 0.000 0.790 458 L CB -0.042 42.049 42.059 0.053 0.000 0.932 458 L HN 0.602 nan 8.230 nan 0.000 0.447 459 H N -0.709 118.280 119.070 -0.134 0.000 3.094 459 H HA 0.278 4.834 4.556 -0.001 0.000 0.346 459 H C -1.497 173.847 175.328 0.027 0.000 1.238 459 H CA -0.395 55.621 56.048 -0.053 0.000 1.209 459 H CB 2.233 31.977 29.762 -0.029 0.000 1.911 459 H HN -0.031 nan 8.280 nan 0.000 0.540 460 S N 3.027 118.413 115.700 -0.524 0.000 2.536 460 S HA 0.470 4.940 4.470 -0.001 0.000 0.287 460 S C -1.676 172.747 174.600 -0.294 0.000 1.101 460 S CA -0.782 57.276 58.200 -0.236 0.000 0.950 460 S CB 2.354 65.427 63.200 -0.211 0.000 1.056 460 S HN 0.519 nan 8.310 nan 0.000 0.481 461 Y N 2.958 123.085 120.300 -0.288 0.000 2.400 461 Y HA 0.498 5.048 4.550 -0.001 0.000 0.335 461 Y C -0.557 175.033 175.900 -0.517 0.000 1.066 461 Y CA -0.918 56.898 58.100 -0.474 0.000 1.285 461 Y CB 0.897 38.895 38.460 -0.770 0.000 1.103 461 Y HN 0.893 nan 8.280 nan 0.000 0.490 462 V N 2.658 122.096 119.914 -0.793 0.000 3.234 462 V HA 0.425 4.544 4.120 -0.001 0.000 0.317 462 V C 1.293 177.038 176.094 -0.582 0.000 1.081 462 V CA -0.573 61.273 62.300 -0.757 0.000 1.037 462 V CB 1.190 32.506 31.823 -0.845 0.000 1.148 462 V HN 0.659 nan 8.190 nan 0.000 0.453 463 I N 0.497 120.863 120.570 -0.340 0.000 2.163 463 I HA -0.191 3.978 4.170 -0.001 0.000 0.243 463 I C 2.736 178.676 176.117 -0.295 0.000 1.085 463 I CA 2.277 63.424 61.300 -0.254 0.000 1.347 463 I CB -1.121 36.815 38.000 -0.105 0.000 1.044 463 I HN 0.996 nan 8.210 nan 0.000 0.408 464 T N -1.473 112.928 114.554 -0.256 0.000 2.833 464 T HA -0.180 4.169 4.350 -0.001 0.000 0.269 464 T C 1.666 176.197 174.700 -0.282 0.000 1.054 464 T CA 1.550 63.522 62.100 -0.214 0.000 1.135 464 T CB -0.500 68.277 68.868 -0.152 0.000 0.869 464 T HN 0.263 nan 8.240 nan 0.000 0.466 465 D N 1.788 121.930 120.400 -0.429 0.000 2.084 465 D HA 0.021 4.660 4.640 -0.001 0.000 0.194 465 D C 2.494 178.417 176.300 -0.628 0.000 0.990 465 D CA 1.687 55.347 54.000 -0.566 0.000 0.826 465 D CB -0.671 39.587 40.800 -0.904 0.000 0.971 465 D HN 0.597 nan 8.370 nan 0.000 0.453 466 A N 0.301 122.662 122.820 -0.765 0.000 1.929 466 A HA -0.069 4.251 4.320 -0.001 0.000 0.216 466 A C 2.392 179.840 177.584 -0.227 0.000 1.176 466 A CA 0.664 52.403 52.037 -0.498 0.000 0.628 466 A CB -0.578 18.186 19.000 -0.392 0.000 0.816 466 A HN 0.178 nan 8.150 nan 0.000 0.444 467 I N -0.620 119.813 120.570 -0.228 0.000 2.252 467 I HA -0.243 3.927 4.170 -0.001 0.000 0.245 467 I C 2.668 178.722 176.117 -0.105 0.000 1.102 467 I CA 1.531 62.742 61.300 -0.150 0.000 1.385 467 I CB -0.246 37.667 38.000 -0.146 0.000 1.064 467 I HN 0.395 nan 8.210 nan 0.000 0.414 468 R N 0.890 121.321 120.500 -0.116 0.000 2.139 468 R HA -0.230 4.110 4.340 -0.001 0.000 0.243 468 R C 1.086 177.360 176.300 -0.044 0.000 1.145 468 R CA 2.109 58.166 56.100 -0.072 0.000 0.976 468 R CB -0.266 29.987 30.300 -0.078 0.000 0.866 468 R HN 0.304 nan 8.270 nan 0.000 0.449 469 D N 0.268 120.642 120.400 -0.044 0.000 2.349 469 D HA 0.004 4.644 4.640 -0.001 0.000 0.215 469 D C -0.202 176.082 176.300 -0.025 0.000 1.016 469 D CA 0.359 54.361 54.000 0.002 0.000 0.870 469 D CB 0.220 41.075 40.800 0.092 0.000 0.917 469 D HN 0.282 nan 8.370 nan 0.000 0.524 470 E N -0.463 119.708 120.200 -0.048 0.000 2.513 470 E HA -0.205 4.144 4.350 -0.001 0.000 0.257 470 E C 0.568 177.110 176.600 -0.097 0.000 1.098 470 E CA 0.281 56.639 56.400 -0.070 0.000 0.752 470 E CB -0.364 29.297 29.700 -0.064 0.000 1.324 470 E HN 0.157 nan 8.360 nan 0.000 0.403 471 K N -0.600 119.764 120.400 -0.060 0.000 2.353 471 K HA 0.209 4.529 4.320 -0.001 0.000 0.195 471 K C 0.323 176.895 176.600 -0.046 0.000 1.031 471 K CA 0.276 56.537 56.287 -0.042 0.000 1.079 471 K CB 1.408 33.963 32.500 0.091 0.000 0.857 471 K HN 0.031 nan 8.250 nan 0.000 0.535 472 V N 1.483 121.353 119.914 -0.074 0.000 3.007 472 V HA 0.369 4.489 4.120 -0.001 0.000 0.311 472 V C -0.765 175.259 176.094 -0.117 0.000 1.120 472 V CA -0.985 61.263 62.300 -0.086 0.000 0.980 472 V CB 2.791 34.558 31.823 -0.094 0.000 1.033 472 V HN -0.012 nan 8.190 nan 0.000 0.429 473 L N 3.062 124.213 121.223 -0.119 0.000 2.379 473 L HA 0.511 4.851 4.340 -0.001 0.000 0.269 473 L C 0.530 177.270 176.870 -0.216 0.000 1.084 473 L CA -0.614 54.163 54.840 -0.105 0.000 0.802 473 L CB 0.966 42.997 42.059 -0.047 0.000 1.175 473 L HN 0.559 nan 8.230 nan 0.000 0.448 474 K N 1.237 121.563 120.400 -0.123 0.000 2.156 474 K HA 0.340 4.659 4.320 -0.001 0.000 0.242 474 K C -0.923 175.602 176.600 -0.124 0.000 1.033 474 K CA 0.029 56.201 56.287 -0.192 0.000 0.878 474 K CB 0.457 32.937 32.500 -0.033 0.000 1.057 474 K HN 0.279 nan 8.250 nan 0.000 0.505 475 F N 0.604 120.557 119.950 0.006 0.000 2.495 475 F HA 0.278 4.805 4.527 -0.001 0.000 0.327 475 F C 0.480 176.166 175.800 -0.190 0.000 1.103 475 F CA -0.975 56.999 58.000 -0.043 0.000 0.949 475 F CB 1.778 40.794 39.000 0.028 0.000 1.142 475 F HN 0.203 nan 8.300 nan 0.000 0.457 476 K N 3.965 124.311 120.400 -0.091 0.000 2.316 476 K HA 0.571 4.891 4.320 -0.001 0.000 0.267 476 K C -1.720 174.740 176.600 -0.233 0.000 1.025 476 K CA -0.344 55.757 56.287 -0.310 0.000 0.896 476 K CB 1.333 33.462 32.500 -0.618 0.000 1.124 476 K HN 0.499 nan 8.250 nan 0.000 0.451 477 V N 4.085 123.892 119.914 -0.178 0.000 2.444 477 V HA 0.340 4.459 4.120 -0.001 0.000 0.294 477 V C -1.217 174.795 176.094 -0.135 0.000 1.022 477 V CA -0.855 61.333 62.300 -0.187 0.000 0.850 477 V CB 1.747 33.532 31.823 -0.063 0.000 0.992 477 V HN 0.828 nan 8.190 nan 0.000 0.426 478 D N 2.049 122.355 120.400 -0.158 0.000 2.934 478 D HA 0.304 4.943 4.640 -0.001 0.000 0.230 478 D C -1.020 175.240 176.300 -0.066 0.000 1.204 478 D CA -0.434 53.508 54.000 -0.096 0.000 0.873 478 D CB 1.937 42.663 40.800 -0.123 0.000 1.645 478 D HN 0.626 nan 8.370 nan 0.000 0.502 479 Y N 2.432 122.640 120.300 -0.152 0.000 2.496 479 Y HA 0.058 4.608 4.550 -0.001 0.000 0.334 479 Y C 0.577 176.364 175.900 -0.187 0.000 1.080 479 Y CA -0.375 57.626 58.100 -0.165 0.000 1.355 479 Y CB 0.547 38.955 38.460 -0.087 0.000 1.193 479 Y HN 0.395 nan 8.280 nan 0.000 0.523 480 N N 5.976 124.482 118.700 -0.324 0.000 2.971 480 N HA -0.102 4.638 4.740 -0.001 0.000 0.294 480 N C -1.019 174.073 175.510 -0.698 0.000 1.210 480 N CA -0.243 52.507 53.050 -0.501 0.000 1.157 480 N CB -0.162 37.996 38.487 -0.548 0.000 1.450 480 N HN 0.663 nan 8.380 nan 0.000 0.527 481 D N 2.599 122.437 120.400 -0.936 0.000 2.435 481 D HA 0.077 4.717 4.640 -0.001 0.000 0.230 481 D C 0.066 176.084 176.300 -0.470 0.000 1.215 481 D CA -0.127 53.285 54.000 -0.980 0.000 0.947 481 D CB 0.650 40.895 40.800 -0.924 0.000 1.048 481 D HN 0.132 nan 8.370 nan 0.000 0.512 482 V N 4.506 124.191 119.914 -0.382 0.000 3.699 482 V HA 0.186 4.305 4.120 -0.001 0.000 0.323 482 V C -0.105 175.842 176.094 -0.245 0.000 1.574 482 V CA -0.202 61.875 62.300 -0.370 0.000 1.240 482 V CB -0.039 31.371 31.823 -0.688 0.000 1.014 482 V HN 0.427 nan 8.190 nan 0.000 0.469 483 R N 1.245 121.676 120.500 -0.114 0.000 2.651 483 R HA 0.321 4.661 4.340 -0.001 0.000 0.282 483 R C -1.897 174.420 176.300 0.029 0.000 1.565 483 R CA -1.484 54.629 56.100 0.021 0.000 1.661 483 R CB 0.945 31.345 30.300 0.167 0.000 1.189 483 R HN 0.165 nan 8.270 nan 0.000 0.621 484 P HA -0.324 nan 4.420 nan 0.000 0.218 484 P C 1.133 178.355 177.300 -0.129 0.000 1.152 484 P CA 1.348 64.413 63.100 -0.058 0.000 0.857 484 P CB 0.367 32.029 31.700 -0.064 0.000 0.787 485 Q N -1.271 118.374 119.800 -0.258 0.000 2.181 485 Q HA -0.148 4.192 4.340 -0.001 0.000 0.205 485 Q C 1.083 176.687 176.000 -0.659 0.000 0.980 485 Q CA 1.352 56.811 55.803 -0.573 0.000 0.862 485 Q CB -0.241 27.932 28.738 -0.942 0.000 0.905 485 Q HN 0.297 nan 8.270 nan 0.000 0.429 486 F N -1.205 118.704 119.950 -0.068 0.000 2.688 486 F HA 0.224 4.751 4.527 -0.001 0.000 0.310 486 F C 1.629 177.428 175.800 -0.002 0.000 1.098 486 F CA -0.369 57.594 58.000 -0.062 0.000 1.228 486 F CB 0.443 39.417 39.000 -0.043 0.000 1.042 486 F HN -0.070 nan 8.300 nan 0.000 0.557 487 K N 1.237 121.713 120.400 0.126 0.000 2.057 487 K HA -0.187 4.133 4.320 -0.001 0.000 0.207 487 K C 2.287 178.955 176.600 0.114 0.000 1.049 487 K CA 1.977 58.360 56.287 0.160 0.000 0.931 487 K CB -0.108 32.458 32.500 0.110 0.000 0.714 487 K HN 0.258 nan 8.250 nan 0.000 0.440 488 S N 0.464 116.189 115.700 0.042 0.000 2.368 488 S HA -0.136 4.333 4.470 -0.001 0.000 0.224 488 S C 1.928 176.523 174.600 -0.007 0.000 1.029 488 S CA 0.869 59.075 58.200 0.010 0.000 0.988 488 S CB -0.502 62.686 63.200 -0.021 0.000 0.838 488 S HN 0.185 nan 8.310 nan 0.000 0.462 489 L N 2.266 123.460 121.223 -0.049 0.000 1.990 489 L HA -0.063 4.277 4.340 -0.001 0.000 0.213 489 L C 2.585 179.458 176.870 0.005 0.000 1.072 489 L CA 1.892 56.625 54.840 -0.178 0.000 0.755 489 L CB -1.403 40.409 42.059 -0.412 0.000 0.889 489 L HN 0.472 nan 8.230 nan 0.000 0.432 490 E N -1.652 118.632 120.200 0.141 0.000 2.516 490 E HA -0.084 4.266 4.350 -0.001 0.000 0.199 490 E C 1.189 177.813 176.600 0.041 0.000 1.069 490 E CA 1.003 57.552 56.400 0.248 0.000 0.876 490 E CB -0.019 29.869 29.700 0.313 0.000 0.843 490 E HN 0.625 nan 8.360 nan 0.000 0.530 491 T N -2.513 112.059 114.554 0.030 0.000 3.043 491 T HA 0.074 4.423 4.350 -0.001 0.000 0.272 491 T C 0.373 175.075 174.700 0.004 0.000 0.990 491 T CA -0.494 61.586 62.100 -0.033 0.000 0.897 491 T CB 0.264 69.126 68.868 -0.011 0.000 1.111 491 T HN -0.141 nan 8.240 nan 0.000 0.529 492 E N 3.026 123.251 120.200 0.041 0.000 2.465 492 E HA 0.140 4.490 4.350 -0.001 0.000 0.260 492 E C 1.325 177.947 176.600 0.038 0.000 0.980 492 E CA 0.685 57.109 56.400 0.039 0.000 0.927 492 E CB 1.015 30.747 29.700 0.054 0.000 0.934 492 E HN 0.425 nan 8.360 nan 0.000 0.459 493 T N 0.522 115.087 114.554 0.019 0.000 3.046 493 T HA 0.025 4.375 4.350 -0.001 0.000 0.242 493 T C 0.627 175.337 174.700 0.017 0.000 1.018 493 T CA 0.142 62.248 62.100 0.010 0.000 1.131 493 T CB -0.181 68.686 68.868 -0.003 0.000 0.904 493 T HN 0.471 nan 8.240 nan 0.000 0.459 494 D N 2.249 122.660 120.400 0.020 0.000 2.487 494 D HA 0.179 4.819 4.640 -0.001 0.000 0.243 494 D C 1.240 177.558 176.300 0.031 0.000 1.154 494 D CA 0.911 54.923 54.000 0.021 0.000 0.876 494 D CB 1.286 42.097 40.800 0.017 0.000 1.161 494 D HN 0.602 nan 8.370 nan 0.000 0.478 495 E N 4.250 124.466 120.200 0.027 0.000 2.170 495 E HA -0.134 4.215 4.350 -0.001 0.000 0.191 495 E C 1.909 178.529 176.600 0.034 0.000 0.981 495 E CA 0.972 57.390 56.400 0.031 0.000 0.830 495 E CB -0.325 29.388 29.700 0.021 0.000 0.775 495 E HN 0.634 nan 8.360 nan 0.000 0.470 496 K N 0.249 120.665 120.400 0.027 0.000 2.044 496 K HA -0.222 4.097 4.320 -0.001 0.000 0.210 496 K C 2.400 179.020 176.600 0.033 0.000 1.049 496 K CA 1.839 58.141 56.287 0.025 0.000 0.927 496 K CB -0.079 32.432 32.500 0.018 0.000 0.713 496 K HN 0.232 nan 8.250 nan 0.000 0.443 497 K N 0.453 120.873 120.400 0.034 0.000 2.026 497 K HA -0.153 4.167 4.320 -0.001 0.000 0.208 497 K C 2.215 178.858 176.600 0.072 0.000 1.048 497 K CA 1.259 57.569 56.287 0.037 0.000 0.929 497 K CB -0.232 32.284 32.500 0.026 0.000 0.713 497 K HN 0.210 nan 8.250 nan 0.000 0.439 498 L N 1.384 122.667 121.223 0.100 0.000 2.046 498 L HA -0.197 4.142 4.340 -0.001 0.000 0.208 498 L C 2.595 179.566 176.870 0.168 0.000 1.077 498 L CA 1.446 56.397 54.840 0.185 0.000 0.747 498 L CB -0.508 41.638 42.059 0.144 0.000 0.896 498 L HN 0.257 nan 8.230 nan 0.000 0.432 499 S N -0.128 115.627 115.700 0.091 0.000 2.383 499 S HA -0.115 4.355 4.470 -0.001 0.000 0.227 499 S C 2.087 176.730 174.600 0.073 0.000 1.026 499 S CA 0.788 59.029 58.200 0.068 0.000 0.981 499 S CB -0.452 62.770 63.200 0.037 0.000 0.818 499 S HN 0.393 nan 8.310 nan 0.000 0.472 500 A N 1.340 124.199 122.820 0.065 0.000 2.121 500 A HA 0.460 4.779 4.320 -0.001 0.000 0.218 500 A C 2.159 179.779 177.584 0.059 0.000 1.154 500 A CA 1.214 53.281 52.037 0.049 0.000 0.679 500 A CB -0.785 18.233 19.000 0.031 0.000 0.795 500 A HN 0.726 nan 8.150 nan 0.000 0.458 501 A N -0.888 121.994 122.820 0.103 0.000 2.308 501 A HA 0.288 4.608 4.320 -0.001 0.000 0.217 501 A C 0.902 178.615 177.584 0.214 0.000 1.216 501 A CA 0.215 52.305 52.037 0.089 0.000 0.864 501 A CB -0.077 18.903 19.000 -0.034 0.000 0.902 501 A HN 0.250 nan 8.150 nan 0.000 0.499 502 E N 2.027 122.356 120.200 0.216 0.000 2.323 502 E HA 0.167 4.517 4.350 -0.001 0.000 0.313 502 E C -0.438 176.213 176.600 0.086 0.000 1.236 502 E CA 0.069 56.571 56.400 0.170 0.000 1.333 502 E CB -0.933 28.820 29.700 0.088 0.000 1.138 502 E HN 0.817 nan 8.360 nan 0.000 0.492 503 N N -1.450 117.299 118.700 0.083 0.000 3.179 503 N HA 0.060 4.800 4.740 -0.001 0.000 0.250 503 N C 0.120 175.640 175.510 0.016 0.000 1.507 503 N CA -0.698 52.369 53.050 0.029 0.000 0.883 503 N CB 0.465 38.964 38.487 0.020 0.000 1.435 503 N HN -0.107 nan 8.380 nan 0.000 0.532 504 Q N -0.871 118.919 119.800 -0.017 0.000 2.432 504 Q HA 0.049 4.389 4.340 -0.001 0.000 0.205 504 Q C 0.469 176.452 176.000 -0.029 0.000 0.945 504 Q CA 0.693 56.464 55.803 -0.053 0.000 0.924 504 Q CB -0.001 28.683 28.738 -0.090 0.000 1.016 504 Q HN 0.573 nan 8.270 nan 0.000 0.503 505 Q N 0.289 120.102 119.800 0.022 0.000 2.230 505 Q HA 0.023 4.363 4.340 -0.001 0.000 0.202 505 Q C 1.194 177.291 176.000 0.162 0.000 0.963 505 Q CA 1.371 57.225 55.803 0.086 0.000 0.866 505 Q CB 0.205 28.972 28.738 0.048 0.000 0.931 505 Q HN 0.406 nan 8.270 nan 0.000 0.452 506 A N -0.919 121.956 122.820 0.092 0.000 2.290 506 A HA 0.238 4.558 4.320 -0.001 0.000 0.204 506 A C 1.141 178.716 177.584 -0.015 0.000 2.001 506 A CA -0.266 51.782 52.037 0.018 0.000 1.643 506 A CB -0.811 18.134 19.000 -0.091 0.000 1.293 506 A HN 0.090 nan 8.150 nan 0.000 0.474 507 F N 0.683 120.632 119.950 -0.001 0.000 2.365 507 F HA 0.114 4.641 4.527 -0.001 0.000 0.300 507 F C 1.298 177.013 175.800 -0.140 0.000 1.090 507 F CA 1.163 59.126 58.000 -0.062 0.000 1.408 507 F CB -0.011 38.973 39.000 -0.027 0.000 1.060 507 F HN 0.099 nan 8.300 nan 0.000 0.534 508 L N -1.366 119.891 121.223 0.057 0.000 3.066 508 L HA 0.159 4.499 4.340 -0.001 0.000 0.265 508 L C 0.346 177.160 176.870 -0.092 0.000 1.232 508 L CA -0.335 54.458 54.840 -0.078 0.000 1.031 508 L CB -0.680 41.327 42.059 -0.087 0.000 1.379 508 L HN -0.054 nan 8.230 nan 0.000 0.563 509 H N 4.351 123.335 119.070 -0.143 0.000 3.167 509 H HA 0.025 4.581 4.556 -0.001 0.000 0.306 509 H C -1.987 173.231 175.328 -0.184 0.000 0.965 509 H CA -0.654 55.324 56.048 -0.116 0.000 1.408 509 H CB 0.814 30.561 29.762 -0.026 0.000 1.406 509 H HN 0.067 nan 8.280 nan 0.000 0.576 513 I N 2.422 122.797 120.570 -0.326 0.000 2.226 513 I HA -0.222 3.947 4.170 -0.001 0.000 0.245 513 I C 2.355 178.312 176.117 -0.267 0.000 1.100 513 I CA 1.684 62.743 61.300 -0.402 0.000 1.374 513 I CB -1.187 36.518 38.000 -0.493 0.000 1.057 513 I HN 0.446 nan 8.210 nan 0.000 0.413 514 Q N 0.996 120.688 119.800 -0.179 0.000 2.002 514 Q HA -0.236 4.104 4.340 -0.001 0.000 0.204 514 Q C 2.175 178.114 176.000 -0.103 0.000 0.988 514 Q CA 2.033 57.758 55.803 -0.130 0.000 0.843 514 Q CB 0.043 28.741 28.738 -0.066 0.000 0.908 514 Q HN 0.507 nan 8.270 nan 0.000 0.420 515 E N 0.183 120.348 120.200 -0.060 0.000 2.058 515 E HA -0.200 4.150 4.350 -0.001 0.000 0.194 515 E C 2.066 178.639 176.600 -0.045 0.000 0.997 515 E CA 1.438 57.836 56.400 -0.003 0.000 0.801 515 E CB -0.156 29.566 29.700 0.037 0.000 0.746 515 E HN 0.445 nan 8.360 nan 0.000 0.450 516 I N 0.843 121.314 120.570 -0.164 0.000 2.226 516 I HA -0.254 3.916 4.170 -0.001 0.000 0.245 516 I C 2.298 178.271 176.117 -0.239 0.000 1.100 516 I CA 1.139 62.234 61.300 -0.343 0.000 1.374 516 I CB -0.364 37.341 38.000 -0.491 0.000 1.057 516 I HN 0.127 nan 8.210 nan 0.000 0.413 517 T N -0.528 113.900 114.554 -0.209 0.000 2.857 517 T HA -0.190 4.159 4.350 -0.001 0.000 0.266 517 T C 1.812 176.327 174.700 -0.309 0.000 1.048 517 T CA 1.053 62.903 62.100 -0.416 0.000 1.139 517 T CB -0.110 68.397 68.868 -0.601 0.000 0.874 517 T HN 0.221 nan 8.240 nan 0.000 0.455 518 Q N 0.255 119.964 119.800 -0.151 0.000 2.084 518 Q HA -0.100 4.240 4.340 -0.001 0.000 0.202 518 Q C 1.868 177.886 176.000 0.030 0.000 0.978 518 Q CA 1.454 57.220 55.803 -0.061 0.000 0.844 518 Q CB -0.495 28.233 28.738 -0.017 0.000 0.898 518 Q HN 0.715 nan 8.270 nan 0.000 0.426 519 Y N -0.073 120.226 120.300 -0.002 0.000 2.181 519 Y HA -0.176 4.374 4.550 -0.001 0.000 0.288 519 Y C 1.600 177.541 175.900 0.068 0.000 1.146 519 Y CA 1.778 59.944 58.100 0.109 0.000 1.164 519 Y CB -0.079 38.478 38.460 0.161 0.000 0.982 519 Y HN 0.149 nan 8.280 nan 0.000 0.515 520 I N -0.318 120.260 120.570 0.013 0.000 2.252 520 I HA -0.296 3.874 4.170 -0.001 0.000 0.245 520 I C 2.259 178.378 176.117 0.004 0.000 1.102 520 I CA 1.136 62.354 61.300 -0.137 0.000 1.385 520 I CB -0.437 37.428 38.000 -0.224 0.000 1.064 520 I HN 0.252 nan 8.210 nan 0.000 0.414 521 L N 0.592 121.854 121.223 0.066 0.000 2.083 521 L HA -0.208 4.131 4.340 -0.001 0.000 0.209 521 L C 2.145 179.068 176.870 0.089 0.000 1.083 521 L CA 1.223 56.141 54.840 0.130 0.000 0.752 521 L CB -0.692 41.430 42.059 0.104 0.000 0.899 521 L HN 0.304 nan 8.230 nan 0.000 0.433 522 N N -0.117 118.574 118.700 -0.015 0.000 2.309 522 N HA -0.122 4.618 4.740 -0.001 0.000 0.182 522 N C 1.255 176.734 175.510 -0.053 0.000 1.018 522 N CA 0.958 53.975 53.050 -0.054 0.000 0.876 522 N CB -0.095 38.305 38.487 -0.145 0.000 0.972 522 N HN 0.397 nan 8.380 nan 0.000 0.434 523 N N -1.161 117.486 118.700 -0.089 0.000 2.193 523 N HA 0.044 4.784 4.740 -0.001 0.000 0.210 523 N C 1.018 176.609 175.510 0.136 0.000 1.215 523 N CA -0.226 52.785 53.050 -0.066 0.000 0.901 523 N CB 0.300 38.565 38.487 -0.371 0.000 1.060 523 N HN 0.070 nan 8.380 nan 0.000 0.508 524 F N 3.321 123.317 119.950 0.077 0.000 2.063 524 F HA -0.201 4.326 4.527 -0.001 0.000 0.298 524 F C 2.376 178.279 175.800 0.172 0.000 1.109 524 F CA 1.840 59.956 58.000 0.193 0.000 1.212 524 F CB 0.094 39.176 39.000 0.135 0.000 0.973 524 F HN -0.122 nan 8.300 nan 0.000 0.480 525 R N -0.532 120.171 120.500 0.340 0.000 2.092 525 R HA -0.199 4.140 4.340 -0.001 0.000 0.231 525 R C 2.228 178.587 176.300 0.099 0.000 1.119 525 R CA 1.476 57.708 56.100 0.219 0.000 0.970 525 R CB -0.526 29.902 30.300 0.214 0.000 0.864 525 R HN 0.358 nan 8.270 nan 0.000 0.440 526 Q N 1.101 120.959 119.800 0.096 0.000 2.084 526 Q HA -0.126 4.214 4.340 -0.001 0.000 0.202 526 Q C 1.633 177.674 176.000 0.067 0.000 0.978 526 Q CA 1.642 57.486 55.803 0.070 0.000 0.844 526 Q CB 0.180 28.972 28.738 0.090 0.000 0.898 526 Q HN 0.040 nan 8.270 nan 0.000 0.426 527 K N -0.628 119.821 120.400 0.080 0.000 2.155 527 K HA -0.011 4.309 4.320 -0.001 0.000 0.203 527 K C 1.740 178.439 176.600 0.164 0.000 1.052 527 K CA 1.567 57.913 56.287 0.098 0.000 0.948 527 K CB -0.017 32.513 32.500 0.050 0.000 0.728 527 K HN 0.468 nan 8.250 nan 0.000 0.448 528 T N -2.680 111.893 114.554 0.032 0.000 3.122 528 T HA 0.071 4.420 4.350 -0.001 0.000 0.250 528 T C 0.122 174.954 174.700 0.219 0.000 1.067 528 T CA -0.340 61.786 62.100 0.044 0.000 0.966 528 T CB -0.493 68.187 68.868 -0.312 0.000 1.002 528 T HN 0.318 nan 8.240 nan 0.000 0.542 529 H N 1.103 120.165 119.070 -0.012 0.000 2.826 529 H HA -0.110 4.446 4.556 -0.001 0.000 0.306 529 H C 0.269 175.552 175.328 -0.075 0.000 1.235 529 H CA 0.180 56.211 56.048 -0.029 0.000 1.150 529 H CB -1.199 28.544 29.762 -0.033 0.000 1.409 529 H HN 0.471 nan 8.280 nan 0.000 0.420 530 R N -0.077 120.466 120.500 0.071 0.000 2.609 530 R HA 0.100 4.439 4.340 -0.001 0.000 0.326 530 R C 1.225 177.562 176.300 0.062 0.000 1.090 530 R CA 0.138 56.270 56.100 0.053 0.000 1.072 530 R CB 0.731 31.089 30.300 0.098 0.000 1.330 530 R HN 0.162 nan 8.270 nan 0.000 0.572 531 T N 0.467 115.053 114.554 0.053 0.000 2.739 531 T HA -0.026 4.323 4.350 -0.001 0.000 0.246 531 T C 1.049 175.780 174.700 0.052 0.000 1.058 531 T CA 1.127 63.261 62.100 0.055 0.000 1.184 531 T CB -0.024 68.873 68.868 0.048 0.000 0.887 531 T HN 0.293 nan 8.240 nan 0.000 0.408 532 F N 2.646 122.626 119.950 0.050 0.000 2.662 532 F HA 0.644 5.171 4.527 -0.001 0.000 0.365 532 F C -1.394 174.434 175.800 0.048 0.000 1.222 532 F CA -1.800 56.233 58.000 0.055 0.000 1.315 532 F CB -1.733 37.309 39.000 0.069 0.000 1.711 532 F HN 0.261 nan 8.300 nan 0.000 0.651 533 P HA 0.588 nan 4.420 nan 0.000 0.292 533 P C 0.806 178.125 177.300 0.031 0.000 1.283 533 P CA 0.115 63.234 63.100 0.031 0.000 0.835 533 P CB 1.507 33.223 31.700 0.027 0.000 1.017 534 G N 1.485 110.302 108.800 0.028 0.000 3.541 534 G HA2 0.374 4.334 3.960 -0.001 0.000 0.253 534 G HA3 0.374 4.334 3.960 -0.001 0.000 0.253 534 G C 0.498 175.409 174.900 0.019 0.000 1.017 534 G CA 0.554 45.667 45.100 0.021 0.000 1.832 534 G HN 0.700 nan 8.290 nan 0.000 0.649 535 S N -0.018 115.691 115.700 0.015 0.000 2.499 535 S HA 0.281 4.751 4.470 -0.001 0.000 0.275 535 S C 1.338 175.918 174.600 -0.035 0.000 1.257 535 S CA -0.664 57.533 58.200 -0.004 0.000 1.050 535 S CB 2.380 65.581 63.200 0.002 0.000 0.937 535 S HN 0.250 nan 8.310 nan 0.000 0.490 536 K N 4.361 124.727 120.400 -0.057 0.000 2.001 536 K HA 0.082 4.402 4.320 -0.001 0.000 0.214 536 K C 1.267 177.756 176.600 -0.185 0.000 1.050 536 K CA 1.997 58.231 56.287 -0.088 0.000 0.934 536 K CB -1.332 31.125 32.500 -0.072 0.000 0.718 536 K HN 1.385 nan 8.250 nan 0.000 0.443 537 G N -1.662 106.901 108.800 -0.395 0.000 2.598 537 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.244 537 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.244 537 G C -0.030 174.335 174.900 -0.891 0.000 1.302 537 G CA 0.012 44.689 45.100 -0.705 0.000 0.903 537 G HN 0.292 nan 8.290 nan 0.000 0.575 538 F N 0.613 120.511 119.950 -0.087 0.000 2.740 538 F HA 0.661 5.188 4.527 -0.001 0.000 0.357 538 F C 0.794 176.557 175.800 -0.062 0.000 1.141 538 F CA -0.337 57.581 58.000 -0.137 0.000 1.044 538 F CB 1.987 40.850 39.000 -0.227 0.000 1.430 538 F HN 1.004 nan 8.300 nan 0.000 0.518 539 N N -0.102 118.712 118.700 0.190 0.000 3.283 539 N HA 0.898 5.638 4.740 -0.001 0.000 0.338 539 N C -1.666 173.918 175.510 0.123 0.000 1.517 539 N CA -0.910 52.262 53.050 0.204 0.000 0.733 539 N CB 2.310 40.958 38.487 0.268 0.000 1.797 539 N HN 0.745 nan 8.380 nan 0.000 0.637 543 A N 4.644 127.553 122.820 0.149 0.000 2.260 543 A HA 0.834 5.154 4.320 -0.001 0.000 0.314 543 A C -0.227 177.416 177.584 0.099 0.000 1.257 543 A CA 0.137 52.248 52.037 0.123 0.000 0.871 543 A CB 0.927 20.000 19.000 0.122 0.000 1.166 543 A HN 1.656 nan 8.150 nan 0.000 0.522 544 V N 0.448 120.414 119.914 0.087 0.000 3.181 544 V HA 0.727 4.847 4.120 -0.001 0.000 0.314 544 V C 0.851 176.961 176.094 0.027 0.000 1.173 544 V CA 0.137 62.483 62.300 0.077 0.000 1.052 544 V CB 1.407 33.316 31.823 0.143 0.000 1.123 544 V HN 1.067 nan 8.190 nan 0.000 0.454 545 S N -0.132 115.562 115.700 -0.010 0.000 2.501 545 S HA 0.295 4.765 4.470 -0.001 0.000 0.220 545 S C 0.746 175.314 174.600 -0.053 0.000 0.997 545 S CA 0.448 58.611 58.200 -0.061 0.000 0.919 545 S CB -0.543 62.570 63.200 -0.144 0.000 0.778 545 S HN 2.017 nan 8.310 nan 0.000 0.523 546 S N -1.021 114.646 115.700 -0.055 0.000 2.578 546 S HA 0.443 4.913 4.470 -0.001 0.000 0.272 546 S C 0.495 174.997 174.600 -0.164 0.000 1.145 546 S CA -0.350 57.800 58.200 -0.084 0.000 0.835 546 S CB 0.820 63.979 63.200 -0.068 0.000 1.104 546 S HN -0.048 nan 8.310 nan 0.000 0.458 547 V N 1.856 121.639 119.914 -0.219 0.000 2.250 547 V HA -0.264 3.856 4.120 -0.001 0.000 0.253 547 V C 2.350 178.194 176.094 -0.417 0.000 1.065 547 V CA 2.698 64.732 62.300 -0.443 0.000 1.039 547 V CB -0.974 30.680 31.823 -0.283 0.000 0.647 547 V HN 0.977 nan 8.190 nan 0.000 0.446 548 D N 0.046 120.298 120.400 -0.247 0.000 2.116 548 D HA -0.228 4.412 4.640 -0.001 0.000 0.193 548 D C 2.212 178.385 176.300 -0.212 0.000 0.998 548 D CA 1.829 55.695 54.000 -0.224 0.000 0.836 548 D CB -0.192 40.526 40.800 -0.137 0.000 0.951 548 D HN 0.513 nan 8.370 nan 0.000 0.449 549 A N 1.584 124.317 122.820 -0.145 0.000 1.883 549 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 549 A C 2.431 180.022 177.584 0.013 0.000 1.186 549 A CA 2.536 54.530 52.037 -0.072 0.000 0.624 549 A CB -0.805 18.209 19.000 0.024 0.000 0.822 549 A HN 0.273 nan 8.150 nan 0.000 0.444 550 A N -0.239 122.553 122.820 -0.048 0.000 1.940 550 A HA -0.187 4.132 4.320 -0.001 0.000 0.219 550 A C 2.105 179.699 177.584 0.017 0.000 1.176 550 A CA 1.833 53.888 52.037 0.030 0.000 0.631 550 A CB -0.446 18.432 19.000 -0.203 0.000 0.814 550 A HN 0.582 nan 8.150 nan 0.000 0.446 551 K N -0.311 119.894 120.400 -0.325 0.000 2.057 551 K HA -0.069 4.251 4.320 -0.001 0.000 0.207 551 K C 2.330 178.808 176.600 -0.205 0.000 1.049 551 K CA 1.184 57.063 56.287 -0.680 0.000 0.931 551 K CB -0.363 31.555 32.500 -0.970 0.000 0.714 551 K HN 0.437 nan 8.250 nan 0.000 0.440 552 A N 0.796 123.520 122.820 -0.160 0.000 1.898 552 A HA -0.148 4.172 4.320 -0.001 0.000 0.216 552 A C 1.987 179.544 177.584 -0.046 0.000 1.181 552 A CA 1.143 53.094 52.037 -0.143 0.000 0.620 552 A CB -0.707 18.128 19.000 -0.275 0.000 0.819 552 A HN 0.281 nan 8.150 nan 0.000 0.442 553 Y N -2.505 117.851 120.300 0.094 0.000 2.133 553 Y HA -0.220 4.329 4.550 -0.001 0.000 0.287 553 Y C 2.378 178.522 175.900 0.407 0.000 1.134 553 Y CA 1.785 59.998 58.100 0.188 0.000 1.133 553 Y CB -0.536 38.070 38.460 0.242 0.000 0.987 553 Y HN 0.434 nan 8.280 nan 0.000 0.502 554 Y N 0.209 120.813 120.300 0.507 0.000 2.102 554 Y HA -0.421 4.128 4.550 -0.001 0.000 0.280 554 Y C 2.447 178.599 175.900 0.421 0.000 1.178 554 Y CA 1.747 60.145 58.100 0.496 0.000 1.146 554 Y CB -0.549 38.277 38.460 0.610 0.000 0.968 554 Y HN 0.117 nan 8.280 nan 0.000 0.504 555 A N -1.253 121.865 122.820 0.497 0.000 1.898 555 A HA -0.163 4.156 4.320 -0.001 0.000 0.216 555 A C 2.212 179.876 177.584 0.132 0.000 1.181 555 A CA 2.140 54.368 52.037 0.319 0.000 0.620 555 A CB -1.209 17.966 19.000 0.293 0.000 0.819 555 A HN 0.502 nan 8.150 nan 0.000 0.442 556 T N -0.727 113.878 114.554 0.085 0.000 2.737 556 T HA -0.066 4.284 4.350 -0.001 0.000 0.265 556 T C 1.555 176.217 174.700 -0.063 0.000 1.038 556 T CA 1.378 63.455 62.100 -0.038 0.000 1.144 556 T CB -0.459 68.325 68.868 -0.140 0.000 0.866 556 T HN 0.408 nan 8.240 nan 0.000 0.434 557 F N 1.590 121.533 119.950 -0.011 0.000 2.063 557 F HA -0.175 4.352 4.527 -0.001 0.000 0.298 557 F C 2.594 178.325 175.800 -0.115 0.000 1.109 557 F CA 1.450 59.410 58.000 -0.067 0.000 1.212 557 F CB -0.205 38.738 39.000 -0.095 0.000 0.973 557 F HN 0.023 nan 8.300 nan 0.000 0.480 558 K N 0.126 120.541 120.400 0.027 0.000 2.020 558 K HA -0.275 4.044 4.320 -0.001 0.000 0.212 558 K C 2.329 178.921 176.600 -0.013 0.000 1.050 558 K CA 1.970 58.225 56.287 -0.052 0.000 0.929 558 K CB -0.261 32.191 32.500 -0.081 0.000 0.714 558 K HN 0.184 nan 8.250 nan 0.000 0.443 559 R N 0.754 121.250 120.500 -0.006 0.000 2.075 559 R HA -0.062 4.278 4.340 -0.001 0.000 0.232 559 R C 2.273 178.546 176.300 -0.045 0.000 1.126 559 R CA 1.048 57.137 56.100 -0.019 0.000 0.963 559 R CB -0.247 30.044 30.300 -0.015 0.000 0.858 559 R HN 0.176 nan 8.270 nan 0.000 0.435 560 L N 0.681 121.868 121.223 -0.060 0.000 2.201 560 L HA -0.131 4.209 4.340 -0.001 0.000 0.212 560 L C 2.405 179.206 176.870 -0.114 0.000 1.105 560 L CA 1.255 56.038 54.840 -0.094 0.000 0.775 560 L CB -0.304 41.681 42.059 -0.124 0.000 0.913 560 L HN 0.420 nan 8.230 nan 0.000 0.440 561 Q N -0.573 119.194 119.800 -0.054 0.000 2.245 561 Q HA -0.129 4.210 4.340 -0.001 0.000 0.201 561 Q C 1.914 177.872 176.000 -0.070 0.000 0.955 561 Q CA 0.672 56.444 55.803 -0.051 0.000 0.870 561 Q CB 0.145 28.952 28.738 0.114 0.000 0.945 561 Q HN 0.480 nan 8.270 nan 0.000 0.461 562 E N 1.247 121.418 120.200 -0.048 0.000 2.110 562 E HA -0.193 4.157 4.350 -0.001 0.000 0.193 562 E C 1.602 178.158 176.600 -0.074 0.000 0.988 562 E CA 0.991 57.367 56.400 -0.041 0.000 0.804 562 E CB 0.015 29.699 29.700 -0.028 0.000 0.745 562 E HN 0.467 nan 8.360 nan 0.000 0.458 563 E N 0.652 120.789 120.200 -0.105 0.000 2.072 563 E HA -0.089 4.261 4.350 -0.001 0.000 0.191 563 E C 2.078 178.577 176.600 -0.167 0.000 0.985 563 E CA 0.856 57.187 56.400 -0.115 0.000 0.801 563 E CB -0.047 29.587 29.700 -0.110 0.000 0.750 563 E HN 0.204 nan 8.360 nan 0.000 0.452 564 A N 1.390 124.031 122.820 -0.299 0.000 1.902 564 A HA -0.109 4.210 4.320 -0.001 0.000 0.217 564 A C 2.342 179.765 177.584 -0.269 0.000 1.181 564 A CA 1.567 53.334 52.037 -0.449 0.000 0.623 564 A CB -0.649 17.677 19.000 -1.124 0.000 0.818 564 A HN 0.294 nan 8.150 nan 0.000 0.443 565 A N 0.018 122.735 122.820 -0.171 0.000 2.234 565 A HA -0.137 4.183 4.320 -0.001 0.000 0.216 565 A C 1.468 179.053 177.584 0.003 0.000 1.167 565 A CA 1.525 53.570 52.037 0.013 0.000 0.698 565 A CB -0.497 18.535 19.000 0.054 0.000 0.779 565 A HN 0.633 nan 8.150 nan 0.000 0.475 566 N N -1.209 117.470 118.700 -0.034 0.000 2.250 566 N HA 0.076 4.815 4.740 -0.001 0.000 0.190 566 N C 1.151 176.650 175.510 -0.019 0.000 1.116 566 N CA 0.543 53.581 53.050 -0.020 0.000 0.881 566 N CB 0.240 38.711 38.487 -0.026 0.000 1.006 566 N HN 0.502 nan 8.380 nan 0.000 0.491 567 K N 0.536 120.917 120.400 -0.032 0.000 2.230 567 K HA 0.198 4.518 4.320 -0.001 0.000 0.219 567 K C 0.892 177.487 176.600 -0.008 0.000 1.033 567 K CA -0.053 56.216 56.287 -0.030 0.000 0.937 567 K CB -0.176 32.291 32.500 -0.055 0.000 1.018 567 K HN -0.126 nan 8.250 nan 0.000 0.463 568 S N -0.683 115.017 115.700 0.000 0.000 2.555 568 S HA 0.064 4.533 4.470 -0.001 0.000 0.264 568 S C 0.493 175.124 174.600 0.051 0.000 1.378 568 S CA 0.775 58.998 58.200 0.038 0.000 0.996 568 S CB 0.520 63.767 63.200 0.079 0.000 0.869 568 S HN 0.461 nan 8.310 nan 0.000 0.546 569 A N 0.332 123.201 122.820 0.080 0.000 2.465 569 A HA 0.160 4.479 4.320 -0.001 0.000 0.183 569 A C 0.797 178.420 177.584 0.064 0.000 2.089 569 A CA 0.509 52.590 52.037 0.072 0.000 1.171 569 A CB -0.951 18.072 19.000 0.039 0.000 1.039 569 A HN 1.057 nan 8.150 nan 0.000 0.429 570 T N -1.054 113.537 114.554 0.062 0.000 3.802 570 T HA 0.247 4.597 4.350 -0.001 0.000 0.243 570 T C 0.113 174.875 174.700 0.102 0.000 0.934 570 T CA -0.073 62.063 62.100 0.061 0.000 0.931 570 T CB -1.383 67.509 68.868 0.041 0.000 1.167 570 T HN 0.367 nan 8.240 nan 0.000 0.655 571 Y N 1.914 122.213 120.300 -0.002 0.000 2.402 571 Y HA 0.334 4.884 4.550 -0.001 0.000 0.333 571 Y C 0.229 176.123 175.900 -0.011 0.000 1.076 571 Y CA -0.812 57.285 58.100 -0.005 0.000 1.299 571 Y CB 0.631 39.084 38.460 -0.011 0.000 1.197 571 Y HN 0.167 nan 8.280 nan 0.000 0.517 572 K N 9.097 129.133 120.400 -0.606 0.000 2.299 572 K HA 0.274 4.594 4.320 -0.001 0.000 0.268 572 K C -2.529 173.578 176.600 -0.821 0.000 1.075 572 K CA -1.902 54.074 56.287 -0.518 0.000 0.936 572 K CB 0.516 32.850 32.500 -0.278 0.000 1.228 572 K HN 0.472 nan 8.250 nan 0.000 0.454 573 P HA 0.040 nan 4.420 nan 0.000 0.271 573 P C -0.437 176.674 177.300 -0.314 0.000 1.218 573 P CA -0.189 62.658 63.100 -0.421 0.000 0.780 573 P CB 0.768 32.398 31.700 -0.115 0.000 0.901 574 L N 2.504 123.568 121.223 -0.264 0.000 2.395 574 L HA 0.353 4.693 4.340 -0.001 0.000 0.269 574 L C 1.287 177.993 176.870 -0.273 0.000 1.133 574 L CA -0.616 54.028 54.840 -0.327 0.000 0.812 574 L CB 0.305 42.050 42.059 -0.523 0.000 1.125 574 L HN 0.223 nan 8.230 nan 0.000 0.452 575 R N 3.214 123.565 120.500 -0.250 0.000 2.196 575 R HA 0.501 4.841 4.340 -0.001 0.000 0.340 575 R C -0.708 175.501 176.300 -0.151 0.000 1.043 575 R CA -0.315 55.658 56.100 -0.212 0.000 0.883 575 R CB 0.424 30.624 30.300 -0.166 0.000 1.078 575 R HN 0.517 nan 8.270 nan 0.000 0.462 576 I N 2.036 122.514 120.570 -0.153 0.000 2.460 576 I HA 0.529 4.699 4.170 -0.001 0.000 0.298 576 I C 0.155 176.361 176.117 0.147 0.000 0.989 576 I CA -0.545 60.682 61.300 -0.121 0.000 1.173 576 I CB 1.975 39.769 38.000 -0.343 0.000 1.338 576 I HN 0.511 nan 8.210 nan 0.000 0.456 577 A N 3.489 126.446 122.820 0.228 0.000 2.594 577 A HA 0.877 5.197 4.320 -0.001 0.000 0.291 577 A C -0.802 176.974 177.584 0.320 0.000 1.105 577 A CA -0.541 51.730 52.037 0.389 0.000 0.694 577 A CB 2.227 21.469 19.000 0.403 0.000 1.291 577 A HN 0.555 nan 8.150 nan 0.000 0.410 578 T N -0.084 114.650 114.554 0.301 0.000 2.868 578 T HA 0.716 5.066 4.350 -0.001 0.000 0.306 578 T C -1.647 173.192 174.700 0.232 0.000 1.224 578 T CA -0.295 61.989 62.100 0.306 0.000 1.012 578 T CB 0.940 70.073 68.868 0.442 0.000 1.221 578 T HN 1.114 nan 8.240 nan 0.000 0.499 579 I N 3.817 124.554 120.570 0.278 0.000 2.787 579 I HA 0.718 4.888 4.170 -0.001 0.000 0.294 579 I C -1.915 174.383 176.117 0.301 0.000 1.365 579 I CA -1.022 60.347 61.300 0.114 0.000 1.029 579 I CB 1.626 39.654 38.000 0.047 0.000 1.313 579 I HN 0.873 nan 8.210 nan 0.000 0.431 580 F N 3.134 123.256 119.950 0.288 0.000 2.878 580 F HA 0.580 5.107 4.527 -0.001 0.000 0.322 580 F C -0.369 175.544 175.800 0.187 0.000 1.154 580 F CA 0.029 58.149 58.000 0.201 0.000 0.896 580 F CB 0.454 39.542 39.000 0.146 0.000 1.313 580 F HN 0.392 nan 8.300 nan 0.000 0.451 581 S N 0.466 116.348 115.700 0.302 0.000 4.640 581 S HA 0.662 5.132 4.470 -0.001 0.000 0.157 581 S C -1.012 173.771 174.600 0.304 0.000 0.963 581 S CA 0.118 58.406 58.200 0.147 0.000 1.235 581 S CB 0.964 64.043 63.200 -0.203 0.000 1.848 581 S HN 1.353 nan 8.310 nan 0.000 0.751 582 F N 1.765 121.720 119.950 0.009 0.000 2.683 582 F HA 0.726 5.253 4.527 -0.001 0.000 0.333 582 F C -0.459 175.339 175.800 -0.004 0.000 1.160 582 F CA -0.756 57.247 58.000 0.004 0.000 1.099 582 F CB 0.997 39.985 39.000 -0.020 0.000 1.344 582 F HN 0.701 nan 8.300 nan 0.000 0.534 583 A N 3.748 126.142 122.820 -0.710 0.000 2.280 583 A HA 0.969 5.289 4.320 -0.001 0.000 0.268 583 A C -0.227 176.774 177.584 -0.973 0.000 1.111 583 A CA 0.432 52.092 52.037 -0.629 0.000 0.814 583 A CB 0.521 19.303 19.000 -0.365 0.000 1.093 583 A HN 2.106 nan 8.150 nan 0.000 0.498 592 G N 0.477 109.282 108.800 0.008 0.000 3.345 592 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.199 592 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.199 592 G C -0.300 174.295 174.900 -0.508 0.000 1.057 592 G CA 0.040 44.956 45.100 -0.307 0.000 0.865 592 G HN 0.535 nan 8.290 nan 0.000 0.449 593 E N 1.134 121.254 120.200 -0.133 0.000 2.227 593 E HA 0.643 4.992 4.350 -0.001 0.000 0.282 593 E C 0.001 176.599 176.600 -0.003 0.000 1.015 593 E CA -0.614 55.812 56.400 0.043 0.000 0.823 593 E CB 0.695 30.484 29.700 0.148 0.000 1.081 593 E HN 0.297 nan 8.360 nan 0.000 0.396 594 I N 3.433 124.016 120.570 0.023 0.000 2.396 594 I HA 0.056 4.225 4.170 -0.001 0.000 0.289 594 I C 0.342 176.472 176.117 0.022 0.000 1.056 594 I CA 0.017 61.327 61.300 0.018 0.000 1.365 594 I CB 1.010 39.032 38.000 0.037 0.000 1.407 594 I HN 0.407 nan 8.210 nan 0.000 0.509 595 S N 4.571 120.270 115.700 -0.002 0.000 2.626 595 S HA -0.102 4.367 4.470 -0.001 0.000 0.303 595 S C 0.044 174.636 174.600 -0.014 0.000 1.256 595 S CA -0.110 58.077 58.200 -0.023 0.000 1.069 595 S CB -0.183 62.983 63.200 -0.055 0.000 0.807 595 S HN 0.521 nan 8.310 nan 0.000 0.500 596 D N 3.021 123.413 120.400 -0.015 0.000 2.417 596 D HA 0.086 4.725 4.640 -0.001 0.000 0.250 596 D C -0.049 176.233 176.300 -0.030 0.000 1.166 596 D CA 0.331 54.331 54.000 -0.000 0.000 0.881 596 D CB 0.498 41.306 40.800 0.013 0.000 1.164 596 D HN 0.470 nan 8.370 nan 0.000 0.467 597 E N 1.698 121.888 120.200 -0.017 0.000 2.179 597 E HA 0.259 4.609 4.350 -0.001 0.000 0.275 597 E C -0.253 176.309 176.600 -0.063 0.000 0.945 597 E CA -0.742 55.629 56.400 -0.048 0.000 0.792 597 E CB 1.629 31.310 29.700 -0.033 0.000 1.125 597 E HN 0.352 nan 8.360 nan 0.000 0.397 598 T N 1.207 115.740 114.554 -0.035 0.000 2.868 598 T HA 0.132 4.482 4.350 -0.001 0.000 0.292 598 T C 0.194 174.802 174.700 -0.153 0.000 1.028 598 T CA -0.058 62.049 62.100 0.013 0.000 1.059 598 T CB 0.264 69.177 68.868 0.075 0.000 0.991 598 T HN 0.363 nan 8.240 nan 0.000 0.531 599 F N 0.789 120.703 119.950 -0.061 0.000 2.727 599 F HA 0.288 4.815 4.527 -0.000 0.000 0.302 599 F C 1.023 176.725 175.800 -0.163 0.000 1.097 599 F CA -0.493 57.454 58.000 -0.088 0.000 1.330 599 F CB 0.370 39.376 39.000 0.011 0.000 1.084 599 F HN 0.461 nan 8.300 nan 0.000 0.578 600 D N 0.297 120.689 120.400 -0.013 0.000 2.453 600 D HA 0.043 4.683 4.640 -0.001 0.000 0.223 600 D C 1.368 177.575 176.300 -0.156 0.000 1.183 600 D CA 0.147 54.117 54.000 -0.050 0.000 0.933 600 D CB 0.627 41.429 40.800 0.003 0.000 1.038 600 D HN 0.172 nan 8.370 nan 0.000 0.513 601 T N -0.457 113.951 114.554 -0.243 0.000 2.977 601 T HA -0.203 4.146 4.350 -0.001 0.000 0.271 601 T C 1.751 176.349 174.700 -0.170 0.000 1.105 601 T CA 1.095 63.014 62.100 -0.303 0.000 1.116 601 T CB -0.263 68.435 68.868 -0.284 0.000 0.878 601 T HN 0.302 nan 8.240 nan 0.000 0.509 602 S N 0.782 116.411 115.700 -0.118 0.000 2.607 602 S HA 0.513 4.983 4.470 -0.001 0.000 0.224 602 S C 0.985 175.503 174.600 -0.137 0.000 0.969 602 S CA -0.238 57.902 58.200 -0.100 0.000 0.927 602 S CB -0.525 62.638 63.200 -0.063 0.000 0.772 602 S HN 0.769 nan 8.310 nan 0.000 0.533 606 S N 1.433 117.121 115.700 -0.021 0.000 2.387 606 S HA -0.273 4.197 4.470 -0.001 0.000 0.230 606 S C 1.956 176.576 174.600 0.034 0.000 1.035 606 S CA 2.336 60.535 58.200 -0.000 0.000 1.014 606 S CB -0.675 62.524 63.200 -0.002 0.000 0.836 606 S HN 0.657 nan 8.310 nan 0.000 0.466 607 S N 2.536 118.262 115.700 0.043 0.000 2.377 607 S HA 0.208 4.678 4.470 -0.001 0.000 0.223 607 S C 2.193 176.871 174.600 0.130 0.000 1.030 607 S CA 0.838 59.083 58.200 0.075 0.000 0.970 607 S CB -1.090 62.139 63.200 0.049 0.000 0.830 607 S HN 0.866 nan 8.310 nan 0.000 0.473 608 A N 2.526 125.418 122.820 0.120 0.000 1.892 608 A HA -0.169 4.151 4.320 -0.001 0.000 0.218 608 A C 2.196 179.940 177.584 0.267 0.000 1.188 608 A CA 2.309 54.477 52.037 0.219 0.000 0.631 608 A CB -0.938 18.183 19.000 0.202 0.000 0.822 608 A HN 0.592 nan 8.150 nan 0.000 0.447 609 K N 0.133 120.618 120.400 0.141 0.000 2.057 609 K HA -0.119 4.201 4.320 -0.001 0.000 0.207 609 K C 1.773 178.428 176.600 0.092 0.000 1.049 609 K CA 2.072 58.409 56.287 0.083 0.000 0.931 609 K CB -0.353 32.159 32.500 0.021 0.000 0.714 609 K HN 0.605 nan 8.250 nan 0.000 0.440 610 E N -1.156 119.112 120.200 0.113 0.000 2.152 610 E HA -0.088 4.262 4.350 -0.001 0.000 0.192 610 E C 1.666 178.344 176.600 0.129 0.000 0.983 610 E CA 0.859 57.316 56.400 0.096 0.000 0.818 610 E CB -0.178 29.575 29.700 0.088 0.000 0.758 610 E HN 0.312 nan 8.360 nan 0.000 0.467 611 F N 0.867 120.856 119.950 0.065 0.000 2.084 611 F HA -0.168 4.359 4.527 -0.001 0.000 0.296 611 F C 2.031 177.850 175.800 0.031 0.000 1.111 611 F CA 0.781 58.828 58.000 0.079 0.000 1.224 611 F CB -0.159 38.927 39.000 0.143 0.000 0.991 611 F HN 0.011 nan 8.300 nan 0.000 0.471 612 L N 0.928 122.301 121.223 0.250 0.000 2.051 612 L HA -0.295 4.044 4.340 -0.001 0.000 0.214 612 L C 1.826 178.600 176.870 -0.160 0.000 1.076 612 L CA 2.298 57.099 54.840 -0.064 0.000 0.758 612 L CB -1.222 40.749 42.059 -0.146 0.000 0.890 612 L HN 0.199 nan 8.230 nan 0.000 0.433 613 D N -0.915 119.436 120.400 -0.082 0.000 2.087 613 D HA -0.199 4.441 4.640 -0.001 0.000 0.192 613 D C 2.135 178.355 176.300 -0.134 0.000 0.993 613 D CA 1.721 55.667 54.000 -0.090 0.000 0.828 613 D CB -0.131 40.649 40.800 -0.033 0.000 0.968 613 D HN 0.467 nan 8.370 nan 0.000 0.448 614 A N 0.035 122.754 122.820 -0.170 0.000 2.015 614 A HA 0.088 4.407 4.320 -0.001 0.000 0.219 614 A C 2.201 179.650 177.584 -0.225 0.000 1.163 614 A CA 1.849 53.777 52.037 -0.181 0.000 0.646 614 A CB -0.688 18.192 19.000 -0.199 0.000 0.806 614 A HN 0.283 nan 8.150 nan 0.000 0.448 615 A N -0.116 122.476 122.820 -0.380 0.000 1.898 615 A HA -0.009 4.311 4.320 -0.001 0.000 0.216 615 A C 2.071 179.563 177.584 -0.153 0.000 1.181 615 A CA 1.377 53.204 52.037 -0.351 0.000 0.620 615 A CB -0.501 18.127 19.000 -0.621 0.000 0.819 615 A HN 0.454 nan 8.150 nan 0.000 0.442 616 I N -0.585 119.833 120.570 -0.254 0.000 2.179 616 I HA -0.274 3.895 4.170 -0.001 0.000 0.242 616 I C 2.698 178.799 176.117 -0.026 0.000 1.088 616 I CA 1.276 62.399 61.300 -0.295 0.000 1.357 616 I CB -0.275 37.445 38.000 -0.466 0.000 1.051 616 I HN 0.283 nan 8.210 nan 0.000 0.409 617 R N 0.507 120.986 120.500 -0.035 0.000 2.113 617 R HA -0.261 4.078 4.340 -0.001 0.000 0.244 617 R C 2.188 178.530 176.300 0.070 0.000 1.142 617 R CA 2.034 58.143 56.100 0.016 0.000 0.953 617 R CB -0.554 29.738 30.300 -0.012 0.000 0.860 617 R HN 0.464 nan 8.270 nan 0.000 0.438 618 E N -0.397 119.851 120.200 0.079 0.000 2.051 618 E HA -0.236 4.113 4.350 -0.001 0.000 0.192 618 E C 1.818 178.531 176.600 0.189 0.000 0.991 618 E CA 1.349 57.818 56.400 0.115 0.000 0.799 618 E CB -0.224 29.559 29.700 0.140 0.000 0.748 618 E HN 0.375 nan 8.360 nan 0.000 0.449 619 Y N 1.828 122.210 120.300 0.138 0.000 2.165 619 Y HA -0.290 4.260 4.550 -0.001 0.000 0.286 619 Y C 1.980 178.050 175.900 0.283 0.000 1.155 619 Y CA 1.538 59.807 58.100 0.281 0.000 1.164 619 Y CB 0.018 38.698 38.460 0.367 0.000 0.978 619 Y HN 0.017 nan 8.280 nan 0.000 0.513 620 N N -0.293 118.649 118.700 0.402 0.000 2.084 620 N HA -0.179 4.560 4.740 -0.001 0.000 0.190 620 N C 2.036 177.603 175.510 0.095 0.000 1.030 620 N CA 1.637 54.825 53.050 0.229 0.000 0.849 620 N CB -0.597 37.956 38.487 0.111 0.000 1.012 620 N HN 0.287 nan 8.380 nan 0.000 0.423 621 S N -0.320 115.421 115.700 0.068 0.000 2.359 621 S HA -0.179 4.291 4.470 -0.001 0.000 0.224 621 S C 1.771 176.350 174.600 -0.035 0.000 1.035 621 S CA 1.248 59.456 58.200 0.014 0.000 1.018 621 S CB -0.349 62.864 63.200 0.021 0.000 0.876 621 S HN 0.516 nan 8.310 nan 0.000 0.448 622 H N 0.091 119.051 119.070 -0.183 0.000 2.326 622 H HA 0.082 4.637 4.556 -0.001 0.000 0.301 622 H C 1.154 176.194 175.328 -0.481 0.000 1.081 622 H CA 1.533 57.337 56.048 -0.407 0.000 1.334 622 H CB -0.244 29.131 29.762 -0.646 0.000 1.385 622 H HN 0.443 nan 8.280 nan 0.000 0.504 623 F N 0.449 120.272 119.950 -0.211 0.000 2.693 623 F HA 0.179 4.706 4.527 -0.001 0.000 0.303 623 F C 0.520 176.229 175.800 -0.151 0.000 1.097 623 F CA -0.263 57.585 58.000 -0.253 0.000 1.330 623 F CB 0.499 39.335 39.000 -0.273 0.000 1.067 623 F HN -0.076 nan 8.300 nan 0.000 0.565 624 K N 0.538 120.935 120.400 -0.006 0.000 3.069 624 K HA -0.193 4.126 4.320 -0.001 0.000 0.267 624 K C 0.296 176.884 176.600 -0.021 0.000 1.082 624 K CA 1.043 57.318 56.287 -0.020 0.000 0.782 624 K CB -2.782 29.699 32.500 -0.033 0.000 1.230 624 K HN 0.497 nan 8.250 nan 0.000 0.488 625 T N -2.544 112.005 114.554 -0.008 0.000 2.849 625 T HA 0.550 4.900 4.350 -0.001 0.000 0.276 625 T C 0.439 174.964 174.700 -0.292 0.000 0.971 625 T CA -0.616 61.358 62.100 -0.210 0.000 0.949 625 T CB 1.679 70.381 68.868 -0.277 0.000 1.093 625 T HN 0.107 nan 8.240 nan 0.000 0.545 626 N N -0.673 117.672 118.700 -0.591 0.000 2.622 626 N HA 0.326 5.066 4.740 -0.001 0.000 0.293 626 N C -1.431 173.885 175.510 -0.323 0.000 1.788 626 N CA -0.540 52.308 53.050 -0.335 0.000 0.860 626 N CB -0.039 38.341 38.487 -0.178 0.000 1.388 626 N HN 0.557 nan 8.380 nan 0.000 0.496 627 F N 0.111 120.115 119.950 0.090 0.000 2.444 627 F HA 0.381 4.907 4.527 -0.001 0.000 0.331 627 F C 1.632 177.436 175.800 0.006 0.000 1.167 627 F CA -0.408 57.626 58.000 0.056 0.000 1.262 627 F CB 0.804 39.839 39.000 0.059 0.000 1.196 627 F HN 0.085 nan 8.300 nan 0.000 0.583 628 S N -0.819 115.010 115.700 0.214 0.000 2.855 628 S HA 0.495 4.964 4.470 -0.001 0.000 0.308 628 S C 0.346 175.015 174.600 0.116 0.000 1.077 628 S CA 0.102 58.368 58.200 0.110 0.000 0.896 628 S CB 1.267 64.518 63.200 0.085 0.000 1.339 628 S HN 0.689 nan 8.310 nan 0.000 0.602 629 T N -1.538 113.068 114.554 0.086 0.000 3.044 629 T HA 0.212 4.562 4.350 -0.001 0.000 0.260 629 T C 0.172 174.924 174.700 0.087 0.000 1.019 629 T CA 0.276 62.439 62.100 0.105 0.000 0.921 629 T CB -0.860 68.028 68.868 0.034 0.000 1.053 629 T HN 0.775 nan 8.240 nan 0.000 0.533 630 D N 1.927 122.376 120.400 0.082 0.000 2.341 630 D HA 0.054 4.694 4.640 -0.001 0.000 0.235 630 D C 1.094 177.468 176.300 0.122 0.000 1.265 630 D CA 0.010 54.056 54.000 0.075 0.000 0.888 630 D CB 0.451 41.292 40.800 0.069 0.000 1.192 630 D HN 0.025 nan 8.370 nan 0.000 0.462 631 S N 0.160 115.921 115.700 0.100 0.000 2.368 631 S HA -0.209 4.260 4.470 -0.001 0.000 0.225 631 S C 1.586 176.310 174.600 0.206 0.000 1.030 631 S CA 1.340 59.623 58.200 0.139 0.000 0.999 631 S CB -0.605 62.651 63.200 0.093 0.000 0.844 631 S HN 0.741 nan 8.310 nan 0.000 0.459 632 N N 1.146 119.941 118.700 0.158 0.000 2.142 632 N HA -0.056 4.683 4.740 -0.001 0.000 0.186 632 N C 1.789 177.417 175.510 0.196 0.000 1.023 632 N CA 1.509 54.653 53.050 0.156 0.000 0.852 632 N CB -0.606 37.953 38.487 0.121 0.000 0.998 632 N HN 0.312 nan 8.380 nan 0.000 0.424 633 G N -0.690 108.238 108.800 0.213 0.000 2.418 633 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.217 633 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.217 633 G C 1.368 176.416 174.900 0.247 0.000 1.158 633 G CA 0.592 45.848 45.100 0.259 0.000 0.771 633 G HN 0.420 nan 8.290 nan 0.000 0.545 634 F N 1.252 121.275 119.950 0.122 0.000 2.134 634 F HA -0.115 4.412 4.527 -0.001 0.000 0.299 634 F C 2.798 178.719 175.800 0.201 0.000 1.097 634 F CA 2.058 60.142 58.000 0.140 0.000 1.264 634 F CB -0.073 38.985 39.000 0.098 0.000 1.001 634 F HN 0.252 nan 8.300 nan 0.000 0.479 635 Q N 0.795 120.787 119.800 0.320 0.000 2.124 635 Q HA -0.197 4.143 4.340 -0.001 0.000 0.202 635 Q C 1.826 177.876 176.000 0.084 0.000 0.977 635 Q CA 2.039 57.978 55.803 0.227 0.000 0.850 635 Q CB -0.557 28.284 28.738 0.172 0.000 0.901 635 Q HN 0.347 nan 8.270 nan 0.000 0.429 636 N N -0.942 117.777 118.700 0.032 0.000 2.250 636 N HA -0.132 4.607 4.740 -0.001 0.000 0.181 636 N C 1.467 176.636 175.510 -0.569 0.000 1.017 636 N CA 1.138 54.134 53.050 -0.089 0.000 0.866 636 N CB -0.403 38.157 38.487 0.122 0.000 0.985 636 N HN 0.437 nan 8.380 nan 0.000 0.429 637 Y N 0.440 120.195 120.300 -0.909 0.000 2.165 637 Y HA -0.344 4.205 4.550 -0.001 0.000 0.286 637 Y C 2.526 178.032 175.900 -0.657 0.000 1.155 637 Y CA 1.535 58.945 58.100 -1.150 0.000 1.164 637 Y CB -0.400 37.620 38.460 -0.734 0.000 0.978 637 Y HN 0.063 nan 8.280 nan 0.000 0.513 638 Y N 0.952 120.869 120.300 -0.638 0.000 2.165 638 Y HA -0.298 4.252 4.550 -0.001 0.000 0.286 638 Y C 2.728 178.501 175.900 -0.213 0.000 1.155 638 Y CA 2.192 60.021 58.100 -0.451 0.000 1.164 638 Y CB -0.414 37.929 38.460 -0.194 0.000 0.978 638 Y HN 0.058 nan 8.280 nan 0.000 0.513 639 R N -0.147 120.350 120.500 -0.006 0.000 2.075 639 R HA -0.129 4.211 4.340 -0.001 0.000 0.226 639 R C 1.969 178.260 176.300 -0.014 0.000 1.114 639 R CA 1.693 57.858 56.100 0.108 0.000 0.972 639 R CB -0.424 29.975 30.300 0.165 0.000 0.869 639 R HN 0.449 nan 8.270 nan 0.000 0.437 640 D N 0.139 120.427 120.400 -0.186 0.000 2.144 640 D HA -0.158 4.482 4.640 -0.001 0.000 0.199 640 D C 1.957 178.091 176.300 -0.275 0.000 0.984 640 D CA 0.766 54.664 54.000 -0.171 0.000 0.834 640 D CB 0.047 40.806 40.800 -0.068 0.000 0.955 640 D HN 0.151 nan 8.370 nan 0.000 0.465 641 L N 0.021 120.951 121.223 -0.490 0.000 2.012 641 L HA -0.204 4.135 4.340 -0.001 0.000 0.210 641 L C 2.397 178.917 176.870 -0.584 0.000 1.073 641 L CA 1.510 55.999 54.840 -0.584 0.000 0.748 641 L CB -0.523 40.970 42.059 -0.944 0.000 0.891 641 L HN 0.163 nan 8.230 nan 0.000 0.431 642 A N -0.852 121.604 122.820 -0.607 0.000 1.883 642 A HA -0.328 3.991 4.320 -0.001 0.000 0.217 642 A C 2.163 179.670 177.584 -0.129 0.000 1.186 642 A CA 2.037 53.776 52.037 -0.497 0.000 0.624 642 A CB -0.720 18.232 19.000 -0.079 0.000 0.822 642 A HN 0.580 nan 8.150 nan 0.000 0.444 643 Q N -0.770 118.925 119.800 -0.174 0.000 2.096 643 Q HA -0.198 4.142 4.340 -0.001 0.000 0.204 643 Q C 2.263 178.131 176.000 -0.220 0.000 0.982 643 Q CA 1.780 57.408 55.803 -0.291 0.000 0.850 643 Q CB -0.077 28.252 28.738 -0.681 0.000 0.901 643 Q HN 0.661 nan 8.270 nan 0.000 0.422 644 R N -0.913 119.441 120.500 -0.243 0.000 2.200 644 R HA 0.005 4.345 4.340 -0.001 0.000 0.208 644 R C 2.131 178.358 176.300 -0.122 0.000 1.033 644 R CA 0.662 56.627 56.100 -0.224 0.000 1.000 644 R CB 0.318 30.398 30.300 -0.366 0.000 0.906 644 R HN 0.154 nan 8.270 nan 0.000 0.462 645 V N 1.069 120.911 119.914 -0.121 0.000 2.488 645 V HA -0.163 3.956 4.120 -0.001 0.000 0.246 645 V C 2.305 178.465 176.094 0.109 0.000 1.046 645 V CA 1.347 63.637 62.300 -0.017 0.000 1.053 645 V CB -0.343 31.405 31.823 -0.125 0.000 0.679 645 V HN 0.227 nan 8.190 nan 0.000 0.458 646 K N 1.491 121.980 120.400 0.147 0.000 2.063 646 K HA -0.203 4.117 4.320 -0.001 0.000 0.208 646 K C 1.658 178.268 176.600 0.017 0.000 1.048 646 K CA 2.032 58.361 56.287 0.070 0.000 0.928 646 K CB -0.234 32.293 32.500 0.045 0.000 0.713 646 K HN 0.796 nan 8.250 nan 0.000 0.442 647 N N -0.325 118.369 118.700 -0.009 0.000 2.270 647 N HA -0.034 4.706 4.740 -0.001 0.000 0.198 647 N C -0.540 174.976 175.510 0.011 0.000 1.117 647 N CA -0.055 52.990 53.050 -0.008 0.000 0.845 647 N CB 0.423 38.889 38.487 -0.035 0.000 0.980 647 N HN 0.129 nan 8.380 nan 0.000 0.486 648 Q N -0.685 119.131 119.800 0.027 0.000 2.489 648 Q HA -0.187 4.153 4.340 -0.001 0.000 0.259 648 Q C -0.469 175.572 176.000 0.068 0.000 0.934 648 Q CA 0.843 56.682 55.803 0.060 0.000 1.131 648 Q CB -1.541 27.235 28.738 0.064 0.000 1.472 648 Q HN 0.436 nan 8.270 nan 0.000 0.560 649 D N 0.260 120.686 120.400 0.044 0.000 2.178 649 D HA 0.026 4.666 4.640 -0.001 0.000 0.202 649 D C 0.514 176.944 176.300 0.216 0.000 0.974 649 D CA 0.993 55.063 54.000 0.117 0.000 0.841 649 D CB 0.208 40.993 40.800 -0.025 0.000 0.953 649 D HN 0.377 nan 8.370 nan 0.000 0.478 650 I N 0.868 121.509 120.570 0.119 0.000 2.385 650 I HA 0.062 4.232 4.170 -0.001 0.000 0.294 650 I C 1.097 177.272 176.117 0.097 0.000 0.988 650 I CA -0.378 61.001 61.300 0.132 0.000 1.265 650 I CB 1.823 39.881 38.000 0.096 0.000 1.388 650 I HN -0.240 nan 8.210 nan 0.000 0.480 651 D N 4.612 125.039 120.400 0.044 0.000 2.149 651 D HA 0.078 4.718 4.640 -0.001 0.000 0.206 651 D C 0.248 176.632 176.300 0.140 0.000 0.967 651 D CA 1.288 55.319 54.000 0.053 0.000 0.848 651 D CB 0.516 41.175 40.800 -0.235 0.000 0.998 651 D HN 0.177 nan 8.370 nan 0.000 0.474 652 L N 1.510 122.729 121.223 -0.006 0.000 2.406 652 L HA 0.325 4.664 4.340 -0.001 0.000 0.272 652 L C -1.525 175.360 176.870 0.024 0.000 0.980 652 L CA -0.775 54.100 54.840 0.058 0.000 0.831 652 L CB 2.266 44.244 42.059 -0.133 0.000 1.253 652 L HN -0.096 nan 8.230 nan 0.000 0.406 653 L N 6.264 127.527 121.223 0.066 0.000 2.264 653 L HA 0.520 4.860 4.340 -0.001 0.000 0.289 653 L C -0.559 176.366 176.870 0.092 0.000 1.044 653 L CA 0.092 54.957 54.840 0.041 0.000 0.807 653 L CB 1.100 43.121 42.059 -0.064 0.000 1.192 653 L HN 0.426 nan 8.230 nan 0.000 0.425 654 I N 5.686 126.338 120.570 0.137 0.000 2.353 654 I HA 0.535 4.704 4.170 -0.001 0.000 0.293 654 I C -0.519 175.743 176.117 0.242 0.000 0.992 654 I CA -0.679 60.736 61.300 0.191 0.000 1.268 654 I CB 1.624 39.783 38.000 0.264 0.000 1.387 654 I HN 0.339 nan 8.210 nan 0.000 0.478 655 V N 6.132 126.176 119.914 0.218 0.000 3.048 655 V HA 0.252 4.372 4.120 -0.001 0.000 0.303 655 V C 0.268 176.471 176.094 0.182 0.000 1.214 655 V CA -0.412 62.030 62.300 0.236 0.000 0.984 655 V CB 2.755 34.703 31.823 0.209 0.000 1.054 655 V HN 0.569 nan 8.190 nan 0.000 0.430 656 V N 2.703 122.726 119.914 0.182 0.000 2.423 656 V HA 0.453 4.573 4.120 -0.001 0.000 0.233 656 V C 1.097 177.247 176.094 0.093 0.000 1.067 656 V CA 1.447 63.806 62.300 0.099 0.000 1.073 656 V CB -0.049 31.807 31.823 0.055 0.000 0.715 656 V HN 0.893 nan 8.190 nan 0.000 0.485 660 L N -0.051 121.317 121.223 0.242 0.000 2.609 660 L HA 0.105 4.445 4.340 -0.001 0.000 0.230 660 L C 1.989 178.978 176.870 0.198 0.000 1.087 660 L CA 1.345 56.313 54.840 0.214 0.000 0.874 660 L CB 0.361 42.512 42.059 0.153 0.000 1.114 660 L HN 0.375 nan 8.230 nan 0.000 0.488 661 T N -5.903 108.768 114.554 0.195 0.000 2.978 661 T HA 0.176 4.525 4.350 -0.001 0.000 0.248 661 T C 1.382 176.192 174.700 0.184 0.000 1.018 661 T CA 0.653 62.852 62.100 0.165 0.000 1.026 661 T CB 0.785 69.730 68.868 0.128 0.000 1.032 661 T HN 0.173 nan 8.240 nan 0.000 0.485 662 G N 0.251 109.190 108.800 0.232 0.000 2.663 662 G HA2 0.298 4.257 3.960 -0.001 0.000 0.200 662 G HA3 0.298 4.257 3.960 -0.001 0.000 0.200 662 G C -0.059 175.014 174.900 0.288 0.000 1.114 662 G CA -0.603 44.636 45.100 0.232 0.000 0.861 662 G HN 0.490 nan 8.290 nan 0.000 0.702 663 F N 2.560 122.638 119.950 0.213 0.000 2.602 663 F HA 0.337 4.863 4.527 -0.001 0.000 0.385 663 F C -0.186 175.713 175.800 0.164 0.000 1.063 663 F CA -0.630 57.515 58.000 0.242 0.000 1.233 663 F CB 0.797 40.012 39.000 0.359 0.000 1.067 663 F HN 0.040 nan 8.300 nan 0.000 0.564 664 D N 5.979 126.143 120.400 -0.394 0.000 2.427 664 D HA 0.502 5.142 4.640 -0.001 0.000 0.226 664 D C -1.262 174.650 176.300 -0.647 0.000 1.076 664 D CA -0.359 53.423 54.000 -0.363 0.000 0.849 664 D CB 0.991 41.732 40.800 -0.098 0.000 1.052 664 D HN 0.667 nan 8.370 nan 0.000 0.515 665 A N 4.887 127.350 122.820 -0.596 0.000 2.605 665 A HA 0.471 4.791 4.320 -0.001 0.000 0.293 665 A C -2.034 175.435 177.584 -0.191 0.000 1.216 665 A CA -1.188 50.593 52.037 -0.426 0.000 0.742 665 A CB 1.390 20.092 19.000 -0.497 0.000 1.170 665 A HN 0.439 nan 8.150 nan 0.000 0.443 666 P HA -0.144 nan 4.420 nan 0.000 0.219 666 P C 1.408 178.600 177.300 -0.180 0.000 1.146 666 P CA 2.114 65.204 63.100 -0.015 0.000 0.808 666 P CB 0.144 31.972 31.700 0.213 0.000 0.779 667 T N -4.348 110.086 114.554 -0.199 0.000 3.163 667 T HA 0.209 4.558 4.350 -0.001 0.000 0.252 667 T C 0.370 175.018 174.700 -0.086 0.000 1.056 667 T CA -0.349 61.625 62.100 -0.209 0.000 0.947 667 T CB -0.715 68.074 68.868 -0.132 0.000 1.016 667 T HN -0.124 nan 8.240 nan 0.000 0.554 668 L N 3.604 124.749 121.223 -0.129 0.000 2.290 668 L HA 0.470 4.809 4.340 -0.001 0.000 0.284 668 L C 0.739 177.471 176.870 -0.230 0.000 1.078 668 L CA -0.075 54.712 54.840 -0.089 0.000 0.815 668 L CB 0.826 42.881 42.059 -0.006 0.000 1.162 668 L HN 0.294 nan 8.230 nan 0.000 0.435 669 N N 1.315 119.856 118.700 -0.264 0.000 2.143 669 N HA 0.104 4.844 4.740 -0.001 0.000 0.222 669 N C -0.825 174.531 175.510 -0.256 0.000 1.264 669 N CA -0.241 52.588 53.050 -0.368 0.000 0.897 669 N CB 0.789 38.872 38.487 -0.674 0.000 1.092 669 N HN 0.498 nan 8.380 nan 0.000 0.516 670 T N 1.509 115.923 114.554 -0.235 0.000 2.991 670 T HA 0.367 4.716 4.350 -0.001 0.000 0.303 670 T C -1.240 173.244 174.700 -0.360 0.000 1.015 670 T CA -0.568 61.320 62.100 -0.353 0.000 1.007 670 T CB 2.192 70.786 68.868 -0.457 0.000 1.034 670 T HN 0.064 nan 8.240 nan 0.000 0.446 671 L N 4.166 125.135 121.223 -0.422 0.000 2.298 671 L HA 0.586 4.926 4.340 -0.001 0.000 0.284 671 L C -1.214 175.410 176.870 -0.410 0.000 1.013 671 L CA -0.803 53.857 54.840 -0.301 0.000 0.824 671 L CB 0.498 42.401 42.059 -0.261 0.000 1.221 671 L HN 0.638 nan 8.230 nan 0.000 0.418 672 F N 4.191 124.160 119.950 0.032 0.000 2.404 672 F HA 0.358 4.884 4.527 -0.001 0.000 0.345 672 F C 0.279 176.128 175.800 0.082 0.000 1.110 672 F CA -0.544 57.514 58.000 0.098 0.000 1.130 672 F CB 1.556 40.729 39.000 0.288 0.000 1.129 672 F HN 0.045 nan 8.300 nan 0.000 0.500 673 V N 2.719 122.753 119.914 0.200 0.000 2.376 673 V HA 0.204 4.324 4.120 -0.001 0.000 0.287 673 V C -0.839 175.399 176.094 0.239 0.000 1.015 673 V CA -0.626 61.761 62.300 0.145 0.000 0.834 673 V CB 1.499 33.346 31.823 0.041 0.000 1.001 673 V HN 0.630 nan 8.190 nan 0.000 0.428 674 D N 4.577 125.118 120.400 0.235 0.000 2.683 674 D HA 0.384 5.024 4.640 -0.001 0.000 0.309 674 D C -0.320 175.995 176.300 0.025 0.000 1.238 674 D CA -0.011 54.111 54.000 0.203 0.000 0.936 674 D CB 0.266 41.222 40.800 0.260 0.000 1.001 674 D HN 0.562 nan 8.370 nan 0.000 0.505 675 K N 0.738 121.126 120.400 -0.020 0.000 2.568 675 K HA 0.313 4.633 4.320 -0.001 0.000 0.273 675 K C -1.185 175.364 176.600 -0.085 0.000 0.951 675 K CA -0.763 55.484 56.287 -0.066 0.000 0.854 675 K CB 1.121 33.621 32.500 -0.000 0.000 1.424 675 K HN -0.118 nan 8.250 nan 0.000 0.427 676 N N 3.679 122.314 118.700 -0.109 0.000 2.719 676 N HA 0.216 4.955 4.740 -0.001 0.000 0.243 676 N C -0.811 174.645 175.510 -0.089 0.000 1.104 676 N CA -0.033 52.959 53.050 -0.098 0.000 0.981 676 N CB 0.206 38.637 38.487 -0.094 0.000 1.290 676 N HN 0.358 nan 8.380 nan 0.000 0.513 677 L N 2.137 123.304 121.223 -0.093 0.000 2.334 677 L HA 0.483 4.823 4.340 -0.001 0.000 0.277 677 L C 0.729 177.474 176.870 -0.209 0.000 1.075 677 L CA -0.483 54.276 54.840 -0.135 0.000 0.804 677 L CB 0.983 42.964 42.059 -0.131 0.000 1.174 677 L HN 0.160 nan 8.230 nan 0.000 0.438 678 R N 2.300 122.660 120.500 -0.234 0.000 2.771 678 R HA 0.453 4.793 4.340 -0.001 0.000 0.274 678 R C -0.678 175.473 176.300 -0.248 0.000 0.987 678 R CA -0.903 54.998 56.100 -0.331 0.000 0.908 678 R CB 1.823 31.966 30.300 -0.261 0.000 1.213 678 R HN 0.515 nan 8.270 nan 0.000 0.468 679 Y N 0.752 121.000 120.300 -0.086 0.000 2.845 679 Y HA -0.524 4.025 4.550 -0.001 0.000 0.468 679 Y C 2.514 178.481 175.900 0.112 0.000 1.163 679 Y CA 1.707 59.834 58.100 0.045 0.000 2.636 679 Y CB -1.047 37.435 38.460 0.037 0.000 1.194 679 Y HN 0.894 nan 8.280 nan 0.000 0.626 680 H N 0.275 119.596 119.070 0.417 0.000 2.389 680 H HA -0.033 4.523 4.556 -0.001 0.000 0.299 680 H C 2.204 177.554 175.328 0.037 0.000 1.081 680 H CA 1.411 57.561 56.048 0.170 0.000 1.345 680 H CB -1.115 28.701 29.762 0.089 0.000 1.393 680 H HN 0.680 nan 8.280 nan 0.000 0.520 681 G N 2.990 111.604 108.800 -0.310 0.000 2.422 681 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.218 681 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.218 681 G C 1.202 176.016 174.900 -0.145 0.000 1.146 681 G CA 0.417 45.428 45.100 -0.149 0.000 0.769 681 G HN 0.296 nan 8.290 nan 0.000 0.547 685 A N 0.804 123.680 122.820 0.092 0.000 1.855 685 A HA -0.117 4.202 4.320 -0.001 0.000 0.215 685 A C 1.509 179.224 177.584 0.218 0.000 1.191 685 A CA 1.458 53.589 52.037 0.157 0.000 0.613 685 A CB -0.686 18.405 19.000 0.151 0.000 0.829 685 A HN 0.293 nan 8.150 nan 0.000 0.442 686 F N 1.157 121.007 119.950 -0.166 0.000 2.192 686 F HA -0.153 4.374 4.527 -0.001 0.000 0.301 686 F C 2.702 178.362 175.800 -0.234 0.000 1.079 686 F CA 1.191 58.923 58.000 -0.447 0.000 1.303 686 F CB -1.095 37.329 39.000 -0.960 0.000 1.024 686 F HN 0.147 nan 8.300 nan 0.000 0.494 687 S N -0.786 115.086 115.700 0.288 0.000 2.515 687 S HA -0.102 4.367 4.470 -0.001 0.000 0.231 687 S C 1.934 176.681 174.600 0.245 0.000 0.987 687 S CA 0.199 58.646 58.200 0.411 0.000 0.936 687 S CB -0.137 63.271 63.200 0.346 0.000 0.766 687 S HN 0.137 nan 8.310 nan 0.000 0.528 688 R N 1.511 122.123 120.500 0.187 0.000 2.154 688 R HA -0.087 4.253 4.340 -0.001 0.000 0.248 688 R C 2.426 178.779 176.300 0.088 0.000 1.155 688 R CA 1.814 58.005 56.100 0.152 0.000 0.979 688 R CB -1.546 28.868 30.300 0.190 0.000 0.869 688 R HN 0.598 nan 8.270 nan 0.000 0.452 689 T N -2.419 112.189 114.554 0.090 0.000 3.129 689 T HA -0.008 4.341 4.350 -0.001 0.000 0.251 689 T C 0.980 175.723 174.700 0.072 0.000 1.117 689 T CA 0.566 62.685 62.100 0.032 0.000 1.034 689 T CB -0.477 68.385 68.868 -0.008 0.000 0.968 689 T HN 0.563 nan 8.240 nan 0.000 0.526 690 N N -0.235 118.556 118.700 0.151 0.000 2.336 690 N HA 0.071 4.811 4.740 -0.001 0.000 0.189 690 N C 0.308 175.826 175.510 0.015 0.000 1.113 690 N CA -0.771 52.351 53.050 0.120 0.000 0.858 690 N CB 0.042 38.621 38.487 0.154 0.000 0.970 690 N HN 0.030 nan 8.380 nan 0.000 0.471 691 R N 2.053 122.554 120.500 0.001 0.000 2.442 691 R HA 0.211 4.551 4.340 -0.001 0.000 0.291 691 R C 0.486 176.768 176.300 -0.030 0.000 1.069 691 R CA -0.355 55.745 56.100 0.001 0.000 1.022 691 R CB 0.361 30.675 30.300 0.023 0.000 0.976 691 R HN 0.352 nan 8.270 nan 0.000 0.443 692 I N 0.201 120.728 120.570 -0.072 0.000 2.836 692 I HA 0.066 4.236 4.170 -0.001 0.000 0.285 692 I C 0.045 176.168 176.117 0.010 0.000 1.174 692 I CA 0.102 61.319 61.300 -0.139 0.000 1.405 692 I CB 0.526 38.321 38.000 -0.342 0.000 1.385 692 I HN 0.743 nan 8.210 nan 0.000 0.594 693 Y N 2.304 122.544 120.300 -0.100 0.000 3.326 693 Y HA 0.133 4.682 4.550 -0.001 0.000 0.172 693 Y C -0.473 175.521 175.900 0.157 0.000 0.896 693 Y CA 0.555 58.725 58.100 0.116 0.000 1.808 693 Y CB 0.650 39.163 38.460 0.087 0.000 1.427 693 Y HN 0.901 nan 8.280 nan 0.000 0.334 694 D N -0.686 119.808 120.400 0.157 0.000 2.970 694 D HA 0.301 4.941 4.640 -0.001 0.000 0.344 694 D C 0.151 176.513 176.300 0.102 0.000 1.365 694 D CA 0.058 54.099 54.000 0.068 0.000 0.910 694 D CB 0.538 41.353 40.800 0.025 0.000 1.445 694 D HN 0.242 nan 8.370 nan 0.000 0.532 695 A N -0.794 122.081 122.820 0.091 0.000 2.216 695 A HA 0.058 4.377 4.320 -0.001 0.000 0.214 695 A C 1.723 179.354 177.584 0.078 0.000 1.160 695 A CA 1.735 53.812 52.037 0.067 0.000 0.725 695 A CB -0.957 18.083 19.000 0.065 0.000 0.784 695 A HN 0.526 nan 8.150 nan 0.000 0.472 696 T N -0.849 113.797 114.554 0.153 0.000 2.942 696 T HA 0.035 4.384 4.350 -0.001 0.000 0.265 696 T C 1.023 175.813 174.700 0.149 0.000 1.062 696 T CA 0.836 63.054 62.100 0.198 0.000 1.139 696 T CB -0.064 68.978 68.868 0.290 0.000 0.883 696 T HN 0.416 nan 8.240 nan 0.000 0.468 697 K N 2.365 122.817 120.400 0.086 0.000 2.300 697 K HA 0.179 4.499 4.320 -0.001 0.000 0.264 697 K C 0.869 177.315 176.600 -0.256 0.000 1.083 697 K CA -0.172 55.977 56.287 -0.230 0.000 0.958 697 K CB 0.654 32.946 32.500 -0.348 0.000 1.318 697 K HN 0.192 nan 8.250 nan 0.000 0.448 698 T N 1.269 115.569 114.554 -0.424 0.000 3.009 698 T HA 0.122 4.472 4.350 -0.001 0.000 0.258 698 T C 0.413 174.932 174.700 -0.302 0.000 1.063 698 T CA 0.249 62.107 62.100 -0.403 0.000 1.139 698 T CB -0.375 68.124 68.868 -0.616 0.000 0.890 698 T HN 0.500 nan 8.240 nan 0.000 0.471 699 F N -1.276 118.625 119.950 -0.081 0.000 2.926 699 F HA 0.673 5.199 4.527 -0.001 0.000 0.321 699 F C -0.312 175.432 175.800 -0.094 0.000 1.168 699 F CA -1.889 56.071 58.000 -0.067 0.000 0.890 699 F CB 0.618 39.606 39.000 -0.021 0.000 1.357 699 F HN 0.034 nan 8.300 nan 0.000 0.468 700 G N 0.844 109.831 108.800 0.313 0.000 2.332 700 G HA2 0.437 4.397 3.960 -0.001 0.000 0.310 700 G HA3 0.437 4.397 3.960 -0.001 0.000 0.310 700 G C -1.322 173.681 174.900 0.172 0.000 1.123 700 G CA -0.805 44.391 45.100 0.160 0.000 0.873 700 G HN 0.572 nan 8.290 nan 0.000 0.460 701 N N 1.331 120.029 118.700 -0.004 0.000 2.444 701 N HA 0.234 4.973 4.740 -0.001 0.000 0.271 701 N C -0.346 174.964 175.510 -0.333 0.000 1.069 701 N CA -0.183 52.799 53.050 -0.113 0.000 0.965 701 N CB 1.867 40.272 38.487 -0.136 0.000 1.092 701 N HN 0.170 nan 8.380 nan 0.000 0.476 702 I N 2.857 123.173 120.570 -0.423 0.000 2.382 702 I HA 0.272 4.442 4.170 -0.001 0.000 0.285 702 I C -0.171 175.658 176.117 -0.480 0.000 1.007 702 I CA -0.766 60.154 61.300 -0.633 0.000 1.142 702 I CB 1.038 38.366 38.000 -1.121 0.000 1.289 702 I HN 0.011 nan 8.210 nan 0.000 0.453 703 V N 5.795 125.440 119.914 -0.449 0.000 2.357 703 V HA 0.495 4.614 4.120 -0.001 0.000 0.284 703 V C 0.446 176.226 176.094 -0.523 0.000 1.018 703 V CA -0.440 61.637 62.300 -0.370 0.000 0.841 703 V CB 1.701 33.437 31.823 -0.145 0.000 0.991 703 V HN 0.884 nan 8.190 nan 0.000 0.437 704 T N 0.812 115.040 114.554 -0.543 0.000 2.885 704 T HA 0.694 5.043 4.350 -0.001 0.000 0.285 704 T C -0.147 174.232 174.700 -0.536 0.000 1.019 704 T CA -0.429 61.402 62.100 -0.447 0.000 1.010 704 T CB 1.551 70.325 68.868 -0.157 0.000 1.022 704 T HN 0.257 nan 8.240 nan 0.000 0.466 705 F N -0.053 119.986 119.950 0.148 0.000 2.706 705 F HA 0.447 4.973 4.527 -0.001 0.000 0.313 705 F C 1.085 177.011 175.800 0.210 0.000 1.096 705 F CA -1.015 57.112 58.000 0.213 0.000 1.219 705 F CB 0.573 39.647 39.000 0.122 0.000 1.051 705 F HN 0.210 nan 8.300 nan 0.000 0.568 706 R N 0.253 120.829 120.500 0.128 0.000 2.778 706 R HA 0.243 4.583 4.340 -0.001 0.000 0.277 706 R C -0.858 175.177 176.300 -0.443 0.000 0.977 706 R CA -0.909 55.125 56.100 -0.111 0.000 0.950 706 R CB 1.025 31.287 30.300 -0.064 0.000 1.165 706 R HN -0.192 nan 8.270 nan 0.000 0.474 707 D N 2.818 122.746 120.400 -0.787 0.000 2.344 707 D HA 0.033 4.673 4.640 -0.001 0.000 0.253 707 D C -0.001 176.115 176.300 -0.306 0.000 1.255 707 D CA 0.192 53.710 54.000 -0.803 0.000 0.894 707 D CB 0.716 41.047 40.800 -0.782 0.000 1.067 707 D HN 0.444 nan 8.370 nan 0.000 0.492 708 L N 3.539 124.659 121.223 -0.171 0.000 2.965 708 L HA 0.181 4.521 4.340 -0.001 0.000 0.254 708 L C 1.820 178.667 176.870 -0.039 0.000 1.220 708 L CA -0.253 54.542 54.840 -0.076 0.000 1.023 708 L CB 0.228 42.299 42.059 0.020 0.000 1.355 708 L HN 0.454 nan 8.230 nan 0.000 0.545 709 E N 0.736 120.910 120.200 -0.044 0.000 2.015 709 E HA -0.190 4.160 4.350 -0.001 0.000 0.191 709 E C 2.162 178.746 176.600 -0.027 0.000 0.991 709 E CA 0.796 57.190 56.400 -0.010 0.000 0.802 709 E CB 0.269 29.971 29.700 0.003 0.000 0.759 709 E HN 0.261 nan 8.360 nan 0.000 0.447 710 R N 0.437 120.910 120.500 -0.046 0.000 2.113 710 R HA -0.134 4.205 4.340 -0.001 0.000 0.244 710 R C 2.418 178.660 176.300 -0.096 0.000 1.142 710 R CA 1.751 57.818 56.100 -0.056 0.000 0.953 710 R CB -0.737 29.529 30.300 -0.057 0.000 0.860 710 R HN 0.156 nan 8.270 nan 0.000 0.438 711 S N -0.416 115.202 115.700 -0.136 0.000 2.382 711 S HA -0.097 4.373 4.470 -0.001 0.000 0.228 711 S C 1.910 176.383 174.600 -0.212 0.000 1.027 711 S CA 1.735 59.793 58.200 -0.236 0.000 0.991 711 S CB -0.185 62.870 63.200 -0.242 0.000 0.823 711 S HN 0.429 nan 8.310 nan 0.000 0.469 712 T N 2.344 116.833 114.554 -0.109 0.000 2.770 712 T HA 0.113 4.462 4.350 -0.001 0.000 0.263 712 T C 1.743 176.438 174.700 -0.009 0.000 1.039 712 T CA 0.875 62.941 62.100 -0.057 0.000 1.142 712 T CB -0.304 68.615 68.868 0.086 0.000 0.868 712 T HN 0.293 nan 8.240 nan 0.000 0.435 713 I N 1.139 121.707 120.570 -0.003 0.000 2.252 713 I HA -0.156 4.014 4.170 -0.001 0.000 0.245 713 I C 2.255 178.381 176.117 0.015 0.000 1.102 713 I CA 1.096 62.407 61.300 0.019 0.000 1.385 713 I CB -0.296 37.710 38.000 0.011 0.000 1.064 713 I HN 0.121 nan 8.210 nan 0.000 0.414 714 D N 1.054 121.437 120.400 -0.028 0.000 2.117 714 D HA -0.148 4.492 4.640 -0.001 0.000 0.197 714 D C 2.256 178.599 176.300 0.071 0.000 0.987 714 D CA 1.583 55.586 54.000 0.005 0.000 0.829 714 D CB -0.187 40.564 40.800 -0.083 0.000 0.961 714 D HN 0.335 nan 8.370 nan 0.000 0.460 715 A N 0.633 123.452 122.820 -0.002 0.000 1.858 715 A HA -0.139 4.181 4.320 -0.001 0.000 0.216 715 A C 2.404 180.152 177.584 0.273 0.000 1.190 715 A CA 0.997 53.136 52.037 0.170 0.000 0.617 715 A CB -0.819 18.218 19.000 0.062 0.000 0.827 715 A HN 0.188 nan 8.150 nan 0.000 0.443 716 I N -0.450 120.238 120.570 0.198 0.000 2.163 716 I HA -0.248 3.921 4.170 -0.001 0.000 0.243 716 I C 2.585 178.815 176.117 0.188 0.000 1.085 716 I CA 1.847 63.285 61.300 0.230 0.000 1.347 716 I CB -0.473 37.623 38.000 0.161 0.000 1.044 716 I HN 0.263 nan 8.210 nan 0.000 0.408 717 T N 1.021 115.638 114.554 0.107 0.000 2.788 717 T HA -0.138 4.211 4.350 -0.001 0.000 0.268 717 T C 1.980 176.684 174.700 0.007 0.000 1.044 717 T CA 0.886 63.019 62.100 0.056 0.000 1.139 717 T CB -0.233 68.655 68.868 0.033 0.000 0.867 717 T HN 0.284 nan 8.240 nan 0.000 0.454 718 L N -0.106 121.083 121.223 -0.056 0.000 2.079 718 L HA -0.063 4.276 4.340 -0.001 0.000 0.210 718 L C 0.981 177.637 176.870 -0.357 0.000 1.081 718 L CA 1.727 56.382 54.840 -0.308 0.000 0.752 718 L CB -0.188 41.532 42.059 -0.566 0.000 0.896 718 L HN 0.334 nan 8.230 nan 0.000 0.433 719 F N -1.488 118.631 119.950 0.281 0.000 2.647 719 F HA 0.303 4.830 4.527 -0.001 0.000 0.300 719 F C 1.042 177.057 175.800 0.358 0.000 1.106 719 F CA 0.009 58.264 58.000 0.425 0.000 1.313 719 F CB 0.600 39.861 39.000 0.436 0.000 1.007 719 F HN 0.009 nan 8.300 nan 0.000 0.536 720 G N -0.390 108.574 108.800 0.274 0.000 3.255 720 G HA2 0.388 4.348 3.960 -0.001 0.000 0.161 720 G HA3 0.388 4.348 3.960 -0.001 0.000 0.161 720 G C -1.483 173.454 174.900 0.061 0.000 1.173 720 G CA 0.004 45.196 45.100 0.152 0.000 1.106 720 G HN 0.130 nan 8.290 nan 0.000 0.650 721 D N -1.331 119.085 120.400 0.027 0.000 2.904 721 D HA 0.427 5.067 4.640 -0.001 0.000 0.290 721 D C 0.589 176.892 176.300 0.005 0.000 1.180 721 D CA -0.612 53.388 54.000 0.000 0.000 1.065 721 D CB 0.817 41.609 40.800 -0.012 0.000 1.386 721 D HN 0.198 nan 8.370 nan 0.000 0.599 722 K N -1.139 119.259 120.400 -0.004 0.000 2.366 722 K HA 0.091 4.411 4.320 -0.001 0.000 0.198 722 K C 1.309 177.910 176.600 0.002 0.000 1.044 722 K CA 0.773 57.060 56.287 -0.000 0.000 0.973 722 K CB -0.205 32.292 32.500 -0.006 0.000 0.767 722 K HN 0.381 nan 8.250 nan 0.000 0.475 723 N N -0.813 117.886 118.700 -0.001 0.000 2.405 723 N HA -0.054 4.685 4.740 -0.001 0.000 0.175 723 N C 0.947 176.457 175.510 -0.001 0.000 1.051 723 N CA 0.947 53.995 53.050 -0.003 0.000 0.899 723 N CB 0.201 38.682 38.487 -0.010 0.000 1.000 723 N HN -0.059 nan 8.380 nan 0.000 0.451 724 T N 1.123 115.680 114.554 0.005 0.000 2.721 724 T HA -0.262 4.088 4.350 -0.001 0.000 0.268 724 T C 1.613 176.323 174.700 0.018 0.000 1.038 724 T CA 1.813 63.919 62.100 0.010 0.000 1.145 724 T CB -0.377 68.512 68.868 0.035 0.000 0.858 724 T HN 0.558 nan 8.240 nan 0.000 0.459 725 K N 1.536 121.953 120.400 0.028 0.000 2.152 725 K HA -0.160 4.159 4.320 -0.001 0.000 0.206 725 K C 1.657 178.265 176.600 0.014 0.000 1.048 725 K CA 1.677 57.984 56.287 0.034 0.000 0.933 725 K CB -0.371 32.150 32.500 0.035 0.000 0.721 725 K HN 0.274 nan 8.250 nan 0.000 0.447 726 N N 0.935 119.636 118.700 0.001 0.000 2.457 726 N HA -0.054 4.686 4.740 -0.001 0.000 0.180 726 N C 1.747 177.250 175.510 -0.013 0.000 1.050 726 N CA 0.851 53.895 53.050 -0.010 0.000 0.906 726 N CB 0.100 38.580 38.487 -0.011 0.000 0.968 726 N HN 0.096 nan 8.380 nan 0.000 0.445 727 V N 0.202 120.107 119.914 -0.014 0.000 2.599 727 V HA -0.016 4.104 4.120 -0.001 0.000 0.245 727 V C 2.226 178.299 176.094 -0.035 0.000 1.046 727 V CA 0.736 63.022 62.300 -0.024 0.000 1.065 727 V CB 0.026 31.825 31.823 -0.040 0.000 0.703 727 V HN 0.003 nan 8.190 nan 0.000 0.464 728 V N -0.399 119.498 119.914 -0.029 0.000 2.649 728 V HA 0.102 4.222 4.120 -0.001 0.000 0.248 728 V C 0.871 176.949 176.094 -0.027 0.000 1.054 728 V CA 0.817 63.084 62.300 -0.054 0.000 1.073 728 V CB -0.115 31.700 31.823 -0.015 0.000 0.699 728 V HN 0.291 nan 8.190 nan 0.000 0.463 729 L N 0.672 121.899 121.223 0.007 0.000 2.309 729 L HA 0.420 4.760 4.340 -0.001 0.000 0.282 729 L C 0.326 177.172 176.870 -0.040 0.000 1.036 729 L CA -0.521 54.327 54.840 0.014 0.000 0.806 729 L CB 1.388 43.466 42.059 0.032 0.000 1.220 729 L HN 0.134 nan 8.230 nan 0.000 0.429 730 E N 2.923 123.066 120.200 -0.095 0.000 2.392 730 E HA 0.138 4.488 4.350 -0.001 0.000 0.259 730 E C -0.265 176.302 176.600 -0.055 0.000 1.108 730 E CA -0.264 56.069 56.400 -0.112 0.000 0.916 730 E CB 0.863 30.342 29.700 -0.369 0.000 0.989 730 E HN 0.284 nan 8.360 nan 0.000 0.432 731 K N 0.405 120.791 120.400 -0.023 0.000 2.132 731 K HA 0.139 4.459 4.320 -0.001 0.000 0.240 731 K C 0.525 177.164 176.600 0.065 0.000 1.036 731 K CA -0.212 55.963 56.287 -0.186 0.000 0.888 731 K CB 0.141 32.155 32.500 -0.809 0.000 1.071 731 K HN 0.580 nan 8.250 nan 0.000 0.502 732 S N -0.577 115.101 115.700 -0.038 0.000 2.614 732 S HA 0.023 4.492 4.470 -0.001 0.000 0.265 732 S C 1.245 175.947 174.600 0.169 0.000 1.303 732 S CA -0.505 57.782 58.200 0.145 0.000 1.000 732 S CB 0.251 63.482 63.200 0.053 0.000 0.935 732 S HN 0.664 nan 8.310 nan 0.000 0.551 733 Y N 1.955 122.331 120.300 0.127 0.000 2.165 733 Y HA -0.136 4.414 4.550 -0.001 0.000 0.286 733 Y C 2.407 178.265 175.900 -0.070 0.000 1.155 733 Y CA 2.363 60.375 58.100 -0.147 0.000 1.164 733 Y CB -1.160 37.356 38.460 0.093 0.000 0.978 733 Y HN 0.720 nan 8.280 nan 0.000 0.513 734 T N 0.404 114.905 114.554 -0.089 0.000 2.833 734 T HA -0.175 4.175 4.350 -0.001 0.000 0.269 734 T C 1.562 176.157 174.700 -0.175 0.000 1.054 734 T CA 1.766 63.758 62.100 -0.180 0.000 1.135 734 T CB -0.196 68.677 68.868 0.009 0.000 0.869 734 T HN 0.505 nan 8.240 nan 0.000 0.466 735 E N -0.755 119.340 120.200 -0.176 0.000 2.107 735 E HA -0.003 4.347 4.350 -0.001 0.000 0.191 735 E C 0.196 176.703 176.600 -0.155 0.000 0.982 735 E CA 0.599 56.868 56.400 -0.218 0.000 0.809 735 E CB 0.044 29.419 29.700 -0.542 0.000 0.756 735 E HN 0.554 nan 8.360 nan 0.000 0.459 739 G N 1.620 110.446 108.800 0.042 0.000 2.592 739 G HA2 0.247 4.207 3.960 -0.001 0.000 0.685 739 G HA3 0.247 4.207 3.960 -0.001 0.000 0.685 739 G C -0.730 174.245 174.900 0.126 0.000 1.278 739 G CA -0.410 44.704 45.100 0.023 0.000 0.822 739 G HN 0.208 nan 8.290 nan 0.000 0.652 740 F N -1.805 118.060 119.950 -0.142 0.000 2.985 740 F HA 0.903 5.430 4.527 -0.001 0.000 0.322 740 F C -0.275 175.463 175.800 -0.104 0.000 1.187 740 F CA -0.949 56.974 58.000 -0.129 0.000 0.910 740 F CB 0.914 39.808 39.000 -0.177 0.000 1.411 740 F HN 0.584 nan 8.300 nan 0.000 0.492 741 T N 0.566 115.136 114.554 0.026 0.000 2.770 741 T HA 0.253 4.603 4.350 -0.001 0.000 0.283 741 T C -1.277 173.508 174.700 0.142 0.000 0.988 741 T CA -0.380 61.681 62.100 -0.065 0.000 0.957 741 T CB 0.887 69.745 68.868 -0.016 0.000 0.930 741 T HN 0.692 nan 8.240 nan 0.000 0.443 742 D N 2.550 122.971 120.400 0.036 0.000 2.402 742 D HA 0.267 4.907 4.640 -0.001 0.000 0.268 742 D C 1.292 177.637 176.300 0.075 0.000 1.294 742 D CA -0.041 54.050 54.000 0.151 0.000 0.945 742 D CB 0.380 41.224 40.800 0.075 0.000 1.112 742 D HN 0.622 nan 8.370 nan 0.000 0.517 743 A N 4.010 126.878 122.820 0.080 0.000 2.019 743 A HA -0.130 4.190 4.320 -0.001 0.000 0.219 743 A C 2.257 179.854 177.584 0.021 0.000 1.164 743 A CA 1.560 53.619 52.037 0.037 0.000 0.644 743 A CB -0.571 18.445 19.000 0.028 0.000 0.805 743 A HN 0.676 nan 8.150 nan 0.000 0.449 744 A N -0.575 122.260 122.820 0.025 0.000 1.986 744 A HA -0.134 4.185 4.320 -0.001 0.000 0.220 744 A C 2.170 179.757 177.584 0.005 0.000 1.171 744 A CA 2.652 54.695 52.037 0.010 0.000 0.640 744 A CB -0.756 18.251 19.000 0.011 0.000 0.811 744 A HN 0.937 nan 8.150 nan 0.000 0.451 745 T N -5.087 109.471 114.554 0.007 0.000 3.041 745 T HA 0.323 4.673 4.350 -0.001 0.000 0.276 745 T C 1.130 175.825 174.700 -0.009 0.000 0.948 745 T CA 0.589 62.689 62.100 -0.001 0.000 0.885 745 T CB -0.216 68.653 68.868 0.001 0.000 1.175 745 T HN 0.604 nan 8.240 nan 0.000 0.529 746 G N 2.238 111.031 108.800 -0.011 0.000 2.819 746 G HA2 0.247 4.207 3.960 -0.001 0.000 0.272 746 G HA3 0.247 4.207 3.960 -0.001 0.000 0.272 746 G C -0.094 174.780 174.900 -0.043 0.000 0.701 746 G CA -0.410 44.678 45.100 -0.019 0.000 2.095 746 G HN 0.386 nan 8.290 nan 0.000 0.577 747 E N 0.724 120.892 120.200 -0.053 0.000 3.288 747 E HA 0.089 4.439 4.350 -0.001 0.000 0.237 747 E C 0.989 177.495 176.600 -0.157 0.000 0.958 747 E CA 0.505 56.850 56.400 -0.091 0.000 0.947 747 E CB -0.051 29.598 29.700 -0.086 0.000 0.896 747 E HN 0.557 nan 8.360 nan 0.000 0.566 748 A N 4.842 127.571 122.820 -0.152 0.000 2.492 748 A HA 0.154 4.473 4.320 -0.001 0.000 0.254 748 A C 0.153 177.570 177.584 -0.280 0.000 1.091 748 A CA 0.041 51.951 52.037 -0.212 0.000 0.768 748 A CB 0.266 19.183 19.000 -0.139 0.000 1.028 748 A HN 0.458 nan 8.150 nan 0.000 0.498 749 K N 2.271 122.384 120.400 -0.478 0.000 2.274 749 K HA 0.300 4.620 4.320 -0.001 0.000 0.262 749 K C -0.335 176.074 176.600 -0.319 0.000 0.961 749 K CA -0.425 55.599 56.287 -0.438 0.000 0.833 749 K CB 1.312 33.422 32.500 -0.650 0.000 1.102 749 K HN 0.769 nan 8.250 nan 0.000 0.436 750 R N 1.559 121.958 120.500 -0.168 0.000 2.449 750 R HA 0.154 4.494 4.340 -0.001 0.000 0.296 750 R C 0.307 176.585 176.300 -0.036 0.000 1.047 750 R CA 0.179 56.224 56.100 -0.092 0.000 1.018 750 R CB 0.189 30.449 30.300 -0.066 0.000 0.962 750 R HN 0.882 nan 8.270 nan 0.000 0.428 751 G N 3.763 112.574 108.800 0.018 0.000 2.415 751 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.283 751 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.283 751 G C -0.019 174.923 174.900 0.071 0.000 1.014 751 G CA -0.192 44.931 45.100 0.038 0.000 1.323 751 G HN 0.649 nan 8.290 nan 0.000 0.502 755 V N 2.295 122.159 119.914 -0.082 0.000 2.231 755 V HA -0.209 3.910 4.120 -0.001 0.000 0.248 755 V C 2.589 178.609 176.094 -0.123 0.000 1.054 755 V CA 2.355 64.588 62.300 -0.110 0.000 1.015 755 V CB -0.847 30.889 31.823 -0.146 0.000 0.638 755 V HN 0.397 nan 8.190 nan 0.000 0.444 756 V N -0.057 119.741 119.914 -0.192 0.000 2.332 756 V HA -0.278 3.841 4.120 -0.001 0.000 0.248 756 V C 2.715 178.784 176.094 -0.042 0.000 1.055 756 V CA 2.488 64.704 62.300 -0.140 0.000 1.038 756 V CB -0.662 31.058 31.823 -0.172 0.000 0.651 756 V HN 0.687 nan 8.190 nan 0.000 0.450 757 S N -0.976 114.706 115.700 -0.029 0.000 2.387 757 S HA -0.202 4.267 4.470 -0.001 0.000 0.226 757 S C 1.976 176.573 174.600 -0.005 0.000 1.026 757 S CA 1.581 59.780 58.200 -0.001 0.000 0.972 757 S CB -0.282 62.920 63.200 0.003 0.000 0.814 757 S HN 0.679 nan 8.310 nan 0.000 0.477 758 E N 0.460 120.647 120.200 -0.021 0.000 2.110 758 E HA -0.100 4.250 4.350 -0.001 0.000 0.193 758 E C 2.064 178.675 176.600 0.019 0.000 0.988 758 E CA 1.186 57.575 56.400 -0.019 0.000 0.804 758 E CB -0.247 29.439 29.700 -0.023 0.000 0.745 758 E HN 0.520 nan 8.360 nan 0.000 0.458 759 L N 0.690 121.920 121.223 0.012 0.000 2.083 759 L HA -0.214 4.125 4.340 -0.001 0.000 0.209 759 L C 2.134 179.101 176.870 0.161 0.000 1.083 759 L CA 1.302 56.161 54.840 0.032 0.000 0.752 759 L CB -0.167 41.760 42.059 -0.220 0.000 0.899 759 L HN 0.160 nan 8.230 nan 0.000 0.433 760 E N -1.225 119.043 120.200 0.114 0.000 2.190 760 E HA -0.148 4.202 4.350 -0.001 0.000 0.191 760 E C 2.133 178.780 176.600 0.078 0.000 0.978 760 E CA 0.246 56.728 56.400 0.137 0.000 0.839 760 E CB 0.108 29.870 29.700 0.103 0.000 0.787 760 E HN 0.392 nan 8.360 nan 0.000 0.473 761 Q N 0.569 120.382 119.800 0.022 0.000 2.167 761 Q HA -0.046 4.293 4.340 -0.001 0.000 0.202 761 Q C 1.637 177.585 176.000 -0.086 0.000 0.970 761 Q CA 1.210 56.996 55.803 -0.028 0.000 0.855 761 Q CB 0.008 28.716 28.738 -0.050 0.000 0.911 761 Q HN 0.188 nan 8.270 nan 0.000 0.438 762 R N -1.878 118.532 120.500 -0.149 0.000 2.397 762 R HA 0.254 4.594 4.340 -0.001 0.000 0.241 762 R C -0.205 175.730 176.300 -0.607 0.000 0.914 762 R CA 0.005 55.803 56.100 -0.503 0.000 1.071 762 R CB 0.911 30.727 30.300 -0.806 0.000 1.116 762 R HN 0.066 nan 8.270 nan 0.000 0.524 763 F N -0.067 119.940 119.950 0.096 0.000 3.028 763 F HA 0.063 4.589 4.527 -0.001 0.000 0.472 763 F C -2.521 173.426 175.800 0.246 0.000 0.892 763 F CA -0.953 57.157 58.000 0.182 0.000 1.164 763 F CB 1.389 40.486 39.000 0.161 0.000 2.847 763 F HN -0.134 nan 8.300 nan 0.000 0.466 764 P HA 0.282 nan 4.420 nan 0.000 0.223 764 P C -0.369 177.015 177.300 0.140 0.000 1.878 764 P CA 0.291 63.517 63.100 0.210 0.000 1.038 764 P CB 0.478 32.250 31.700 0.121 0.000 1.774 765 D N 0.323 120.829 120.400 0.175 0.000 9.948 765 D HA -0.134 4.506 4.640 -0.001 0.000 0.354 765 D C -1.885 174.439 176.300 0.040 0.000 2.964 765 D CA -0.015 54.047 54.000 0.104 0.000 2.324 765 D CB -1.352 39.476 40.800 0.046 0.000 1.175 765 D HN 0.066 nan 8.370 nan 0.000 1.063 766 P HA -0.024 nan 4.420 nan 0.000 0.236 766 P C 0.757 178.056 177.300 -0.002 0.000 1.172 766 P CA 1.352 64.441 63.100 -0.017 0.000 0.759 766 P CB -0.180 31.492 31.700 -0.046 0.000 0.843 767 T N -4.634 109.930 114.554 0.017 0.000 3.308 767 T HA 0.074 4.423 4.350 -0.001 0.000 0.255 767 T C 1.522 176.255 174.700 0.055 0.000 1.162 767 T CA 0.541 62.655 62.100 0.022 0.000 1.031 767 T CB -0.473 68.405 68.868 0.017 0.000 0.973 767 T HN -0.004 nan 8.240 nan 0.000 0.544 768 S N 0.121 115.882 115.700 0.101 0.000 2.599 768 S HA 0.277 4.747 4.470 -0.001 0.000 0.236 768 S C 0.423 175.205 174.600 0.304 0.000 1.077 768 S CA -0.534 57.788 58.200 0.204 0.000 0.906 768 S CB 0.006 63.397 63.200 0.319 0.000 0.804 768 S HN 0.358 nan 8.310 nan 0.000 0.497 769 I N 3.749 124.446 120.570 0.212 0.000 3.384 769 I HA -0.161 4.009 4.170 -0.001 0.000 0.354 769 I C 1.175 177.325 176.117 0.054 0.000 1.101 769 I CA 0.893 62.224 61.300 0.052 0.000 1.738 769 I CB -0.146 37.812 38.000 -0.070 0.000 1.174 769 I HN 0.486 nan 8.210 nan 0.000 0.442 770 E N 2.965 123.185 120.200 0.033 0.000 2.566 770 E HA -0.009 4.340 4.350 -0.001 0.000 0.193 770 E C 0.174 176.769 176.600 -0.009 0.000 0.945 770 E CA 0.284 56.673 56.400 -0.019 0.000 1.449 770 E CB -0.373 29.307 29.700 -0.034 0.000 1.654 770 E HN 0.587 nan 8.360 nan 0.000 0.844 771 S N 1.042 116.760 115.700 0.029 0.000 2.568 771 S HA 0.033 4.502 4.470 -0.001 0.000 0.282 771 S C 1.098 175.751 174.600 0.088 0.000 1.338 771 S CA 0.376 58.606 58.200 0.050 0.000 1.045 771 S CB 1.610 64.842 63.200 0.054 0.000 0.873 771 S HN 0.317 nan 8.310 nan 0.000 0.516 772 E N 2.113 122.391 120.200 0.129 0.000 2.110 772 E HA -0.232 4.118 4.350 -0.001 0.000 0.193 772 E C 1.931 178.669 176.600 0.229 0.000 0.988 772 E CA 1.355 57.910 56.400 0.258 0.000 0.804 772 E CB -0.171 29.746 29.700 0.363 0.000 0.745 772 E HN 0.845 nan 8.360 nan 0.000 0.458 773 K N 0.685 121.156 120.400 0.119 0.000 2.097 773 K HA -0.195 4.125 4.320 -0.001 0.000 0.205 773 K C 1.803 178.437 176.600 0.057 0.000 1.050 773 K CA 1.597 57.901 56.287 0.029 0.000 0.938 773 K CB -0.027 32.485 32.500 0.020 0.000 0.718 773 K HN 0.125 nan 8.250 nan 0.000 0.442 774 E N 0.701 120.976 120.200 0.126 0.000 2.110 774 E HA -0.151 4.199 4.350 -0.001 0.000 0.193 774 E C 2.018 178.775 176.600 0.261 0.000 0.988 774 E CA 1.347 57.893 56.400 0.243 0.000 0.804 774 E CB 0.134 29.984 29.700 0.250 0.000 0.745 774 E HN 0.305 nan 8.360 nan 0.000 0.458 775 K N 0.895 121.403 120.400 0.181 0.000 2.009 775 K HA -0.202 4.117 4.320 -0.001 0.000 0.210 775 K C 2.205 178.914 176.600 0.182 0.000 1.049 775 K CA 1.155 57.556 56.287 0.189 0.000 0.929 775 K CB -0.175 32.506 32.500 0.301 0.000 0.714 775 K HN -0.024 nan 8.250 nan 0.000 0.440 776 K N 1.193 121.566 120.400 -0.045 0.000 2.044 776 K HA -0.236 4.083 4.320 -0.001 0.000 0.210 776 K C 1.513 178.026 176.600 -0.145 0.000 1.049 776 K CA 2.251 58.258 56.287 -0.468 0.000 0.927 776 K CB -0.065 31.949 32.500 -0.809 0.000 0.713 776 K HN 0.048 nan 8.250 nan 0.000 0.443 777 D N -0.036 120.378 120.400 0.022 0.000 2.097 777 D HA -0.163 4.477 4.640 -0.001 0.000 0.195 777 D C 1.597 177.993 176.300 0.161 0.000 0.989 777 D CA 0.954 55.041 54.000 0.144 0.000 0.827 777 D CB -0.413 40.574 40.800 0.311 0.000 0.966 777 D HN 0.225 nan 8.370 nan 0.000 0.456 778 F N 1.482 121.341 119.950 -0.152 0.000 2.091 778 F HA -0.258 4.269 4.527 -0.001 0.000 0.299 778 F C 2.137 177.848 175.800 -0.149 0.000 1.103 778 F CA 1.140 58.758 58.000 -0.637 0.000 1.228 778 F CB -0.521 37.938 39.000 -0.902 0.000 0.984 778 F HN -0.175 nan 8.300 nan 0.000 0.477 779 V N 0.820 120.946 119.914 0.354 0.000 2.287 779 V HA -0.353 3.766 4.120 -0.001 0.000 0.248 779 V C 2.529 178.721 176.094 0.164 0.000 1.053 779 V CA 2.433 64.947 62.300 0.356 0.000 1.027 779 V CB -0.821 31.056 31.823 0.089 0.000 0.646 779 V HN 0.400 nan 8.190 nan 0.000 0.447 780 K N -0.262 120.143 120.400 0.008 0.000 2.032 780 K HA -0.189 4.131 4.320 -0.001 0.000 0.209 780 K C 2.221 178.803 176.600 -0.029 0.000 1.048 780 K CA 1.756 58.025 56.287 -0.030 0.000 0.927 780 K CB -0.293 32.172 32.500 -0.058 0.000 0.712 780 K HN 0.359 nan 8.250 nan 0.000 0.441 781 L N 0.014 121.203 121.223 -0.057 0.000 1.994 781 L HA -0.143 4.197 4.340 -0.001 0.000 0.208 781 L C 2.265 179.038 176.870 -0.162 0.000 1.071 781 L CA 1.550 56.330 54.840 -0.101 0.000 0.745 781 L CB -0.334 41.669 42.059 -0.093 0.000 0.892 781 L HN 0.286 nan 8.230 nan 0.000 0.431 782 F N 0.567 120.236 119.950 -0.469 0.000 2.407 782 F HA -0.014 4.513 4.527 -0.001 0.000 0.299 782 F C 2.091 177.737 175.800 -0.256 0.000 1.097 782 F CA 0.870 58.562 58.000 -0.514 0.000 1.422 782 F CB -0.422 38.042 39.000 -0.893 0.000 1.067 782 F HN 0.029 nan 8.300 nan 0.000 0.539 783 G N 0.058 108.824 108.800 -0.056 0.000 2.476 783 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.218 783 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.218 783 G C 1.566 176.377 174.900 -0.150 0.000 1.164 783 G CA 1.028 46.094 45.100 -0.056 0.000 0.768 783 G HN 0.448 nan 8.290 nan 0.000 0.560 784 E N -0.747 119.378 120.200 -0.126 0.000 2.152 784 E HA -0.092 4.258 4.350 -0.001 0.000 0.192 784 E C 2.056 178.561 176.600 -0.158 0.000 0.983 784 E CA 0.638 56.971 56.400 -0.111 0.000 0.818 784 E CB -0.201 29.449 29.700 -0.083 0.000 0.758 784 E HN 0.628 nan 8.360 nan 0.000 0.467 785 Y N 1.671 121.753 120.300 -0.363 0.000 2.145 785 Y HA -0.205 4.345 4.550 -0.001 0.000 0.286 785 Y C 1.957 177.650 175.900 -0.344 0.000 1.145 785 Y CA 1.364 59.218 58.100 -0.410 0.000 1.148 785 Y CB -0.190 37.907 38.460 -0.605 0.000 0.981 785 Y HN -0.075 nan 8.280 nan 0.000 0.507 786 L N -0.179 120.795 121.223 -0.416 0.000 2.046 786 L HA -0.229 4.110 4.340 -0.001 0.000 0.208 786 L C 2.585 179.315 176.870 -0.232 0.000 1.077 786 L CA 1.645 56.278 54.840 -0.344 0.000 0.747 786 L CB -0.462 41.385 42.059 -0.353 0.000 0.896 786 L HN 0.152 nan 8.230 nan 0.000 0.432 787 R N -0.341 120.052 120.500 -0.178 0.000 2.096 787 R HA -0.114 4.225 4.340 -0.001 0.000 0.235 787 R C 2.370 178.591 176.300 -0.132 0.000 1.127 787 R CA 1.362 57.397 56.100 -0.108 0.000 0.968 787 R CB -0.403 29.863 30.300 -0.058 0.000 0.861 787 R HN 0.365 nan 8.270 nan 0.000 0.440 788 A N 0.692 123.419 122.820 -0.155 0.000 1.874 788 A HA -0.163 4.157 4.320 -0.001 0.000 0.214 788 A C 2.045 179.464 177.584 -0.277 0.000 1.189 788 A CA 1.286 53.254 52.037 -0.114 0.000 0.615 788 A CB -0.402 18.644 19.000 0.076 0.000 0.830 788 A HN 0.414 nan 8.150 nan 0.000 0.443 789 E N 0.321 120.336 120.200 -0.309 0.000 2.058 789 E HA -0.301 4.048 4.350 -0.001 0.000 0.194 789 E C 1.867 178.264 176.600 -0.339 0.000 0.997 789 E CA 1.734 57.894 56.400 -0.401 0.000 0.801 789 E CB -0.323 29.215 29.700 -0.269 0.000 0.746 789 E HN 0.594 nan 8.360 nan 0.000 0.450 790 N N 0.072 118.643 118.700 -0.214 0.000 2.149 790 N HA -0.159 4.581 4.740 -0.001 0.000 0.188 790 N C 1.758 177.190 175.510 -0.131 0.000 1.019 790 N CA 1.560 54.535 53.050 -0.125 0.000 0.857 790 N CB -0.148 38.313 38.487 -0.044 0.000 0.997 790 N HN 0.277 nan 8.380 nan 0.000 0.426 791 I N -0.025 120.428 120.570 -0.195 0.000 2.179 791 I HA -0.222 3.947 4.170 -0.001 0.000 0.242 791 I C 1.897 177.944 176.117 -0.118 0.000 1.088 791 I CA 0.862 62.061 61.300 -0.168 0.000 1.357 791 I CB -0.155 37.626 38.000 -0.365 0.000 1.051 791 I HN 0.188 nan 8.210 nan 0.000 0.409 792 L N -0.186 120.764 121.223 -0.454 0.000 2.275 792 L HA -0.208 4.132 4.340 -0.001 0.000 0.215 792 L C 2.409 179.111 176.870 -0.281 0.000 1.119 792 L CA 0.931 55.367 54.840 -0.672 0.000 0.790 792 L CB -0.480 40.560 42.059 -1.699 0.000 0.919 792 L HN 0.316 nan 8.230 nan 0.000 0.443 793 Q N 0.007 119.693 119.800 -0.190 0.000 2.297 793 Q HA -0.168 4.172 4.340 -0.001 0.000 0.208 793 Q C 1.200 177.251 176.000 0.085 0.000 0.981 793 Q CA 0.985 56.779 55.803 -0.015 0.000 0.876 793 Q CB -0.001 28.570 28.738 -0.278 0.000 0.921 793 Q HN 0.630 nan 8.270 nan 0.000 0.446 794 N N -0.762 118.056 118.700 0.197 0.000 2.280 794 N HA 0.000 4.740 4.740 -0.001 0.000 0.192 794 N C -0.878 174.693 175.510 0.101 0.000 1.109 794 N CA 0.215 53.389 53.050 0.208 0.000 0.855 794 N CB 0.546 39.234 38.487 0.335 0.000 0.974 794 N HN 0.130 nan 8.380 nan 0.000 0.482 795 Y N 1.197 121.576 120.300 0.133 0.000 2.331 795 Y HA 0.184 4.734 4.550 -0.001 0.000 0.338 795 Y C 1.056 177.041 175.900 0.140 0.000 0.976 795 Y CA -1.093 57.089 58.100 0.138 0.000 1.137 795 Y CB 1.204 39.777 38.460 0.188 0.000 1.172 795 Y HN -0.175 nan 8.280 nan 0.000 0.478 796 D N 1.732 122.251 120.400 0.198 0.000 2.158 796 D HA -0.176 4.463 4.640 -0.001 0.000 0.197 796 D C 1.431 177.799 176.300 0.114 0.000 0.995 796 D CA 1.553 55.666 54.000 0.189 0.000 0.846 796 D CB 0.154 41.075 40.800 0.202 0.000 0.941 796 D HN 0.695 nan 8.370 nan 0.000 0.456 797 E N -0.575 119.602 120.200 -0.038 0.000 2.160 797 E HA -0.140 4.210 4.350 -0.001 0.000 0.195 797 E C 1.665 178.160 176.600 -0.174 0.000 0.991 797 E CA 0.555 56.757 56.400 -0.329 0.000 0.810 797 E CB -0.232 28.790 29.700 -1.130 0.000 0.742 797 E HN 0.320 nan 8.360 nan 0.000 0.466 798 F N 0.480 120.368 119.950 -0.104 0.000 2.219 798 F HA 0.132 4.658 4.527 -0.001 0.000 0.294 798 F C 2.142 177.971 175.800 0.048 0.000 1.086 798 F CA 0.976 59.009 58.000 0.055 0.000 1.330 798 F CB -0.402 38.666 39.000 0.113 0.000 1.047 798 F HN 0.005 nan 8.300 nan 0.000 0.495 799 A N -0.401 122.529 122.820 0.183 0.000 1.908 799 A HA -0.185 4.135 4.320 -0.001 0.000 0.218 799 A C 2.189 179.798 177.584 0.040 0.000 1.181 799 A CA 2.375 54.480 52.037 0.114 0.000 0.627 799 A CB -1.457 17.663 19.000 0.201 0.000 0.818 799 A HN 0.415 nan 8.150 nan 0.000 0.445 800 T N 0.095 114.690 114.554 0.069 0.000 2.652 800 T HA -0.188 4.162 4.350 -0.001 0.000 0.267 800 T C 1.859 176.545 174.700 -0.024 0.000 1.039 800 T CA 1.729 63.815 62.100 -0.024 0.000 1.153 800 T CB -0.449 68.443 68.868 0.039 0.000 0.863 800 T HN 0.394 nan 8.240 nan 0.000 0.428 801 L N 1.003 122.181 121.223 -0.075 0.000 2.083 801 L HA -0.020 4.320 4.340 -0.001 0.000 0.209 801 L C 2.273 179.028 176.870 -0.192 0.000 1.083 801 L CA 1.847 56.622 54.840 -0.108 0.000 0.752 801 L CB -0.431 41.558 42.059 -0.118 0.000 0.899 801 L HN 0.043 nan 8.230 nan 0.000 0.433 802 K N -0.503 119.714 120.400 -0.306 0.000 2.002 802 K HA -0.117 4.202 4.320 -0.001 0.000 0.209 802 K C 2.089 178.610 176.600 -0.132 0.000 1.048 802 K CA 1.328 57.459 56.287 -0.261 0.000 0.930 802 K CB -0.407 31.912 32.500 -0.302 0.000 0.714 802 K HN 0.497 nan 8.250 nan 0.000 0.438 803 A N 2.266 125.036 122.820 -0.084 0.000 1.917 803 A HA -0.208 4.112 4.320 -0.001 0.000 0.219 803 A C 2.062 179.526 177.584 -0.199 0.000 1.182 803 A CA 1.364 53.372 52.037 -0.049 0.000 0.633 803 A CB -0.783 18.228 19.000 0.019 0.000 0.819 803 A HN 0.362 nan 8.150 nan 0.000 0.448 804 L N -0.684 120.361 121.223 -0.297 0.000 2.081 804 L HA -0.162 4.178 4.340 -0.001 0.000 0.212 804 L C 0.682 177.367 176.870 -0.308 0.000 1.080 804 L CA 1.807 56.326 54.840 -0.535 0.000 0.754 804 L CB -0.981 40.871 42.059 -0.346 0.000 0.893 804 L HN 0.381 nan 8.230 nan 0.000 0.433 805 Q N 0.852 120.542 119.800 -0.183 0.000 2.771 805 Q HA -0.088 4.251 4.340 -0.001 0.000 0.207 805 Q C 0.507 176.448 176.000 -0.100 0.000 1.250 805 Q CA 0.413 56.148 55.803 -0.115 0.000 0.894 805 Q CB 0.189 28.885 28.738 -0.070 0.000 1.733 805 Q HN 0.515 nan 8.270 nan 0.000 0.503 806 Q N -0.899 118.826 119.800 -0.126 0.000 2.589 806 Q HA 0.268 4.607 4.340 -0.001 0.000 0.216 806 Q C 0.931 176.893 176.000 -0.063 0.000 0.774 806 Q CA 0.106 55.864 55.803 -0.077 0.000 0.909 806 Q CB 0.565 29.271 28.738 -0.053 0.000 1.283 806 Q HN 0.376 nan 8.270 nan 0.000 0.597 807 I N -0.086 120.438 120.570 -0.078 0.000 3.081 807 I HA 0.172 4.341 4.170 -0.001 0.000 0.274 807 I C 0.001 176.102 176.117 -0.028 0.000 1.178 807 I CA 0.845 62.100 61.300 -0.074 0.000 1.460 807 I CB 0.402 38.316 38.000 -0.144 0.000 1.137 807 I HN 0.223 nan 8.210 nan 0.000 0.443 808 D N -0.715 119.676 120.400 -0.016 0.000 2.713 808 D HA 0.375 5.014 4.640 -0.001 0.000 0.306 808 D C -1.658 174.644 176.300 0.004 0.000 1.299 808 D CA -0.398 53.600 54.000 -0.004 0.000 0.823 808 D CB 1.791 42.580 40.800 -0.018 0.000 1.353 808 D HN -0.124 nan 8.370 nan 0.000 0.447 809 L N 0.815 122.047 121.223 0.014 0.000 2.409 809 L HA 0.775 5.115 4.340 -0.001 0.000 0.272 809 L C 0.092 176.979 176.870 0.029 0.000 0.980 809 L CA -0.295 54.565 54.840 0.033 0.000 0.826 809 L CB 1.274 43.372 42.059 0.066 0.000 1.268 809 L HN 0.679 nan 8.230 nan 0.000 0.407 810 S N 2.683 118.399 115.700 0.027 0.000 2.553 810 S HA 0.376 4.845 4.470 -0.001 0.000 0.293 810 S C 0.651 175.261 174.600 0.017 0.000 1.296 810 S CA 1.330 59.545 58.200 0.024 0.000 1.046 810 S CB -0.363 nan 63.200 nan 0.000 0.810 810 S HN 1.456 nan 8.310 nan 0.000 0.505 811 D N 1.060 121.470 120.400 0.016 0.000 4.640 811 D HA -0.130 4.509 4.640 -0.001 0.000 0.135 811 D C -2.320 173.988 176.300 0.014 0.000 0.752 811 D CA 0.773 54.785 54.000 0.020 0.000 1.019 811 D CB -2.295 nan 40.800 nan 0.000 0.618 811 D HN 0.597 nan 8.370 nan 0.000 0.594 812 P HA 0.475 nan 4.420 nan 0.000 0.278 812 P C 1.227 178.523 177.300 -0.007 0.000 1.502 812 P CA 0.349 63.452 63.100 0.005 0.000 1.114 812 P CB 0.988 32.693 31.700 0.009 0.000 1.541 813 V N 0.366 120.280 119.914 -0.000 0.000 2.515 813 V HA -0.157 3.963 4.120 -0.001 0.000 0.250 813 V C 1.962 178.061 176.094 0.009 0.000 1.058 813 V CA 2.437 64.736 62.300 -0.001 0.000 1.064 813 V CB -0.629 31.195 31.823 0.002 0.000 0.675 813 V HN 0.127 nan 8.190 nan 0.000 0.461 814 A N -1.549 121.283 122.820 0.020 0.000 2.220 814 A HA 0.108 4.427 4.320 -0.001 0.000 0.211 814 A C 2.128 179.752 177.584 0.067 0.000 1.176 814 A CA 0.740 52.803 52.037 0.044 0.000 0.834 814 A CB 0.002 19.025 19.000 0.038 0.000 0.868 814 A HN 0.273 nan 8.150 nan 0.000 0.488 815 V N 0.664 120.597 119.914 0.032 0.000 2.214 815 V HA -0.285 3.834 4.120 -0.001 0.000 0.247 815 V C 2.589 178.681 176.094 -0.004 0.000 1.051 815 V CA 2.416 64.716 62.300 -0.001 0.000 1.003 815 V CB -0.602 31.179 31.823 -0.071 0.000 0.635 815 V HN 0.541 nan 8.190 nan 0.000 0.447 816 E N -0.175 120.000 120.200 -0.043 0.000 2.085 816 E HA -0.261 4.088 4.350 -0.001 0.000 0.194 816 E C 2.219 178.814 176.600 -0.009 0.000 0.994 816 E CA 1.307 57.678 56.400 -0.048 0.000 0.801 816 E CB -0.366 29.306 29.700 -0.047 0.000 0.743 816 E HN 0.530 nan 8.360 nan 0.000 0.453 817 K N -0.121 120.297 120.400 0.029 0.000 2.074 817 K HA -0.174 4.145 4.320 -0.001 0.000 0.209 817 K C 2.130 178.776 176.600 0.077 0.000 1.048 817 K CA 1.406 57.716 56.287 0.038 0.000 0.926 817 K CB -0.244 32.291 32.500 0.058 0.000 0.713 817 K HN 0.116 nan 8.250 nan 0.000 0.444 818 F N 1.344 121.296 119.950 0.003 0.000 2.234 818 F HA -0.036 4.491 4.527 -0.001 0.000 0.296 818 F C 1.742 177.604 175.800 0.102 0.000 1.089 818 F CA 1.025 59.083 58.000 0.097 0.000 1.343 818 F CB 0.104 39.148 39.000 0.073 0.000 1.040 818 F HN -0.155 nan 8.300 nan 0.000 0.498 819 K N 0.515 120.858 120.400 -0.096 0.000 2.147 819 K HA -0.092 4.227 4.320 -0.001 0.000 0.205 819 K C 2.187 178.630 176.600 -0.262 0.000 1.049 819 K CA 1.194 57.337 56.287 -0.240 0.000 0.936 819 K CB -0.412 32.006 32.500 -0.137 0.000 0.722 819 K HN 0.394 nan 8.250 nan 0.000 0.446 820 A N 1.013 123.704 122.820 -0.215 0.000 2.021 820 A HA -0.076 4.244 4.320 -0.001 0.000 0.216 820 A C 1.688 178.997 177.584 -0.458 0.000 1.163 820 A CA 0.906 52.807 52.037 -0.227 0.000 0.676 820 A CB -0.018 18.903 19.000 -0.132 0.000 0.818 820 A HN 0.220 nan 8.150 nan 0.000 0.453 821 E N -1.405 118.493 120.200 -0.504 0.000 2.318 821 E HA -0.028 4.321 4.350 -0.001 0.000 0.193 821 E C 0.626 176.531 176.600 -1.157 0.000 0.998 821 E CA 0.489 56.448 56.400 -0.735 0.000 0.859 821 E CB 0.086 29.487 29.700 -0.499 0.000 0.812 821 E HN 0.823 nan 8.360 nan 0.000 0.492 822 H N -1.692 116.933 119.070 -0.741 0.000 2.672 822 H HA 0.161 4.717 4.556 -0.001 0.000 0.277 822 H C -0.913 174.250 175.328 -0.274 0.000 1.074 822 H CA -0.235 55.508 56.048 -0.507 0.000 1.173 822 H CB 0.078 29.519 29.762 -0.535 0.000 1.558 822 H HN 0.081 nan 8.280 nan 0.000 0.539 823 Y N -1.069 119.181 120.300 -0.083 0.000 3.305 823 Y HA -0.212 4.337 4.550 -0.001 0.000 0.209 823 Y C -0.602 175.274 175.900 -0.039 0.000 1.354 823 Y CA -0.225 57.847 58.100 -0.047 0.000 1.392 823 Y CB -2.244 36.206 38.460 -0.016 0.000 1.446 823 Y HN 0.067 nan 8.280 nan 0.000 0.553 824 V N 0.839 120.756 119.914 0.004 0.000 2.555 824 V HA 0.320 4.440 4.120 -0.001 0.000 0.302 824 V C 0.432 176.561 176.094 0.058 0.000 1.038 824 V CA -1.047 61.273 62.300 0.034 0.000 0.887 824 V CB 1.918 33.735 31.823 -0.010 0.000 0.991 824 V HN 0.178 nan 8.190 nan 0.000 0.434 825 D N 2.553 123.011 120.400 0.096 0.000 2.361 825 D HA 0.060 4.700 4.640 -0.001 0.000 0.239 825 D C 0.671 177.055 176.300 0.140 0.000 1.200 825 D CA -0.031 54.026 54.000 0.095 0.000 0.915 825 D CB 0.978 41.838 40.800 0.099 0.000 1.170 825 D HN 0.585 nan 8.370 nan 0.000 0.444 826 D N 0.469 120.933 120.400 0.108 0.000 2.095 826 D HA -0.186 4.453 4.640 -0.001 0.000 0.192 826 D C 1.629 178.072 176.300 0.240 0.000 0.990 826 D CA 1.502 55.606 54.000 0.174 0.000 0.836 826 D CB -0.277 40.587 40.800 0.107 0.000 0.979 826 D HN 0.579 nan 8.370 nan 0.000 0.447 827 E N 0.794 121.080 120.200 0.143 0.000 2.332 827 E HA -0.378 3.972 4.350 -0.001 0.000 0.243 827 E C 1.821 178.499 176.600 0.129 0.000 1.088 827 E CA 2.595 59.062 56.400 0.113 0.000 1.048 827 E CB -0.223 29.526 29.700 0.082 0.000 0.911 827 E HN 0.154 nan 8.360 nan 0.000 0.487 828 K N -1.273 119.215 120.400 0.146 0.000 2.031 828 K HA -0.093 4.226 4.320 -0.001 0.000 0.205 828 K C 1.960 178.680 176.600 0.200 0.000 1.049 828 K CA 1.171 57.545 56.287 0.146 0.000 0.939 828 K CB -0.631 31.948 32.500 0.132 0.000 0.717 828 K HN 0.225 nan 8.250 nan 0.000 0.438 829 F N 1.369 121.378 119.950 0.099 0.000 2.064 829 F HA -0.398 4.129 4.527 -0.001 0.000 0.292 829 F C 1.964 177.814 175.800 0.084 0.000 1.107 829 F CA 2.250 60.325 58.000 0.124 0.000 1.243 829 F CB -1.099 37.972 39.000 0.117 0.000 0.949 829 F HN 0.168 nan 8.300 nan 0.000 0.506 830 A N -0.653 122.175 122.820 0.013 0.000 1.969 830 A HA -0.060 4.260 4.320 -0.001 0.000 0.218 830 A C 2.152 179.678 177.584 -0.097 0.000 1.169 830 A CA 2.328 54.287 52.037 -0.130 0.000 0.635 830 A CB -1.559 17.436 19.000 -0.008 0.000 0.810 830 A HN 0.573 nan 8.150 nan 0.000 0.445 831 E N 0.298 120.489 120.200 -0.016 0.000 2.013 831 E HA -0.212 4.138 4.350 -0.001 0.000 0.202 831 E C 1.853 178.446 176.600 -0.012 0.000 1.018 831 E CA 1.602 58.006 56.400 0.006 0.000 0.834 831 E CB -1.211 28.517 29.700 0.048 0.000 0.770 831 E HN 0.596 nan 8.360 nan 0.000 0.459 832 L N 0.295 121.519 121.223 0.002 0.000 2.456 832 L HA -0.206 4.134 4.340 -0.001 0.000 0.225 832 L C 2.819 179.655 176.870 -0.056 0.000 1.142 832 L CA 1.688 56.534 54.840 0.010 0.000 0.796 832 L CB -0.077 42.017 42.059 0.058 0.000 0.920 832 L HN 0.507 nan 8.230 nan 0.000 0.446 833 Q N -1.137 118.587 119.800 -0.126 0.000 2.319 833 Q HA 0.024 4.364 4.340 -0.001 0.000 0.202 833 Q C -0.116 175.807 176.000 -0.127 0.000 0.896 833 Q CA 0.280 55.959 55.803 -0.207 0.000 0.942 833 Q CB 0.756 29.262 28.738 -0.387 0.000 1.083 833 Q HN 0.130 nan 8.270 nan 0.000 0.510 834 T N 0.510 115.023 114.554 -0.068 0.000 3.583 834 T HA 0.280 4.629 4.350 -0.001 0.000 0.274 834 T C -0.953 173.751 174.700 0.006 0.000 0.698 834 T CA -0.468 61.615 62.100 -0.029 0.000 1.262 834 T CB -0.083 68.768 68.868 -0.028 0.000 1.000 834 T HN 0.174 nan 8.240 nan 0.000 0.528 835 I N 2.924 123.510 120.570 0.027 0.000 2.668 835 I HA 0.237 4.406 4.170 -0.001 0.000 0.285 835 I C 1.044 177.194 176.117 0.056 0.000 1.168 835 I CA 0.244 61.580 61.300 0.061 0.000 1.424 835 I CB 0.356 38.413 38.000 0.096 0.000 1.377 835 I HN 0.148 nan 8.210 nan 0.000 0.560 836 R N 6.815 127.359 120.500 0.074 0.000 2.255 836 R HA 0.609 4.949 4.340 -0.001 0.000 0.326 836 R C -0.836 175.534 176.300 0.117 0.000 0.986 836 R CA -0.735 55.407 56.100 0.071 0.000 0.847 836 R CB 1.146 31.480 30.300 0.055 0.000 1.111 836 R HN 0.569 nan 8.270 nan 0.000 0.452 837 L N 4.199 125.492 121.223 0.116 0.000 2.334 837 L HA 0.558 4.898 4.340 -0.001 0.000 0.270 837 L C -1.764 175.191 176.870 0.142 0.000 1.018 837 L CA -2.146 52.799 54.840 0.175 0.000 0.811 837 L CB 1.662 43.825 42.059 0.174 0.000 1.271 837 L HN 0.413 nan 8.230 nan 0.000 0.443 838 P HA 0.222 nan 4.420 nan 0.000 0.279 838 P C -0.800 176.566 177.300 0.110 0.000 1.239 838 P CA -0.446 62.734 63.100 0.134 0.000 0.789 838 P CB 1.079 32.876 31.700 0.161 0.000 0.933 839 A N 2.533 125.389 122.820 0.060 0.000 2.520 839 A HA -0.006 4.313 4.320 -0.001 0.000 0.235 839 A C 1.322 178.936 177.584 0.050 0.000 1.065 839 A CA 0.032 52.092 52.037 0.039 0.000 0.764 839 A CB -0.262 18.743 19.000 0.008 0.000 1.002 839 A HN 0.599 nan 8.150 nan 0.000 0.502 840 D N 0.973 121.405 120.400 0.054 0.000 2.133 840 D HA -0.242 4.398 4.640 -0.001 0.000 0.192 840 D C 1.963 178.287 176.300 0.040 0.000 1.001 840 D CA 2.183 56.223 54.000 0.066 0.000 0.844 840 D CB -0.109 40.723 40.800 0.053 0.000 0.944 840 D HN 0.743 nan 8.370 nan 0.000 0.447 841 R N 1.591 122.095 120.500 0.007 0.000 2.070 841 R HA -0.092 4.248 4.340 -0.001 0.000 0.233 841 R C 2.021 178.276 176.300 -0.075 0.000 1.137 841 R CA 1.767 57.853 56.100 -0.023 0.000 0.945 841 R CB -0.591 29.692 30.300 -0.029 0.000 0.845 841 R HN -0.014 nan 8.270 nan 0.000 0.430 842 K N -0.134 120.201 120.400 -0.108 0.000 2.144 842 K HA -0.152 4.168 4.320 -0.001 0.000 0.209 842 K C 1.883 178.290 176.600 -0.321 0.000 1.047 842 K CA 1.904 58.041 56.287 -0.251 0.000 0.927 842 K CB -0.169 32.221 32.500 -0.185 0.000 0.716 842 K HN 0.239 nan 8.250 nan 0.000 0.454 843 I N 1.236 121.768 120.570 -0.063 0.000 2.252 843 I HA -0.254 3.915 4.170 -0.001 0.000 0.245 843 I C 2.132 178.301 176.117 0.086 0.000 1.102 843 I CA 1.592 62.949 61.300 0.094 0.000 1.385 843 I CB -1.258 36.859 38.000 0.195 0.000 1.064 843 I HN 0.331 nan 8.210 nan 0.000 0.414 844 Q N 0.192 120.014 119.800 0.037 0.000 2.389 844 Q HA -0.084 4.256 4.340 -0.001 0.000 0.204 844 Q C 1.298 177.291 176.000 -0.012 0.000 0.944 844 Q CA 0.843 56.677 55.803 0.051 0.000 0.908 844 Q CB -0.195 28.572 28.738 0.048 0.000 1.002 844 Q HN 0.340 nan 8.270 nan 0.000 0.493 845 D N 0.407 120.745 120.400 -0.104 0.000 2.123 845 D HA -0.114 4.526 4.640 -0.001 0.000 0.200 845 D C 1.316 177.521 176.300 -0.158 0.000 0.976 845 D CA 0.988 54.890 54.000 -0.163 0.000 0.831 845 D CB -0.166 40.484 40.800 -0.251 0.000 0.974 845 D HN 0.236 nan 8.370 nan 0.000 0.469 846 Y N 1.096 121.315 120.300 -0.135 0.000 2.128 846 Y HA -0.102 4.448 4.550 -0.001 0.000 0.284 846 Y C 2.477 178.151 175.900 -0.377 0.000 1.154 846 Y CA 0.765 58.673 58.100 -0.320 0.000 1.149 846 Y CB -0.694 37.356 38.460 -0.683 0.000 0.976 846 Y HN -0.084 nan 8.280 nan 0.000 0.505 847 R N -0.007 120.488 120.500 -0.008 0.000 2.133 847 R HA -0.195 4.144 4.340 -0.001 0.000 0.247 847 R C 2.034 178.447 176.300 0.188 0.000 1.151 847 R CA 2.066 58.271 56.100 0.175 0.000 0.971 847 R CB -0.153 30.300 30.300 0.254 0.000 0.866 847 R HN 0.524 nan 8.270 nan 0.000 0.447 848 S N -1.885 113.865 115.700 0.082 0.000 2.613 848 S HA 0.259 4.728 4.470 -0.001 0.000 0.235 848 S C 1.911 176.518 174.600 0.012 0.000 1.073 848 S CA 0.160 58.401 58.200 0.068 0.000 0.899 848 S CB 0.300 63.524 63.200 0.040 0.000 0.818 848 S HN 0.336 nan 8.310 nan 0.000 0.484 849 A N 2.360 125.146 122.820 -0.056 0.000 1.865 849 A HA -0.345 3.975 4.320 -0.001 0.000 0.244 849 A C 1.860 179.393 177.584 -0.086 0.000 1.984 849 A CA 2.553 54.499 52.037 -0.150 0.000 0.785 849 A CB -1.994 16.825 19.000 -0.301 0.000 0.849 849 A HN 0.702 nan 8.150 nan 0.000 0.501 850 Y N 0.867 121.111 120.300 -0.094 0.000 2.181 850 Y HA -0.295 4.255 4.550 -0.001 0.000 0.284 850 Y C 2.324 178.338 175.900 0.190 0.000 1.179 850 Y CA 2.644 60.847 58.100 0.171 0.000 1.179 850 Y CB -0.377 38.303 38.460 0.367 0.000 0.973 850 Y HN 0.609 nan 8.280 nan 0.000 0.519 851 N N -1.402 117.402 118.700 0.174 0.000 2.420 851 N HA -0.051 4.688 4.740 -0.001 0.000 0.185 851 N C 1.215 176.721 175.510 -0.007 0.000 1.033 851 N CA 1.051 54.163 53.050 0.104 0.000 0.879 851 N CB -0.154 38.424 38.487 0.151 0.000 1.071 851 N HN 0.128 nan 8.380 nan 0.000 0.437 852 D N 0.421 120.821 120.400 -0.001 0.000 2.034 852 D HA -0.307 4.333 4.640 -0.001 0.000 0.605 852 D C 1.570 177.874 176.300 0.007 0.000 0.732 852 D CA 2.502 56.489 54.000 -0.023 0.000 1.697 852 D CB -0.895 39.869 40.800 -0.061 0.000 0.219 852 D HN 0.379 nan 8.370 nan 0.000 0.339 853 I N -0.228 120.358 120.570 0.027 0.000 2.394 853 I HA -0.189 3.980 4.170 -0.001 0.000 0.251 853 I C 2.613 178.819 176.117 0.148 0.000 1.136 853 I CA 0.908 62.317 61.300 0.182 0.000 1.425 853 I CB -0.209 37.928 38.000 0.229 0.000 1.079 853 I HN 0.073 nan 8.210 nan 0.000 0.425 854 R N 1.153 121.553 120.500 -0.166 0.000 2.066 854 R HA -0.192 4.148 4.340 -0.001 0.000 0.232 854 R C 1.699 177.760 176.300 -0.398 0.000 1.131 854 R CA 2.051 57.726 56.100 -0.709 0.000 0.955 854 R CB -0.107 29.558 30.300 -1.059 0.000 0.851 854 R HN 0.227 nan 8.270 nan 0.000 0.432 855 D N -0.724 119.559 120.400 -0.195 0.000 2.219 855 D HA -0.165 4.475 4.640 -0.001 0.000 0.205 855 D C 0.774 177.037 176.300 -0.061 0.000 0.970 855 D CA 0.894 54.819 54.000 -0.127 0.000 0.851 855 D CB -0.184 40.577 40.800 -0.065 0.000 0.943 855 D HN 0.455 nan 8.370 nan 0.000 0.488 856 W N 2.132 123.306 121.300 -0.211 0.000 3.387 856 W HA 0.154 4.813 4.660 -0.001 0.000 0.403 856 W C -0.595 175.756 176.519 -0.281 0.000 1.073 856 W CA -0.298 56.924 57.345 -0.205 0.000 1.866 856 W CB -0.037 29.320 29.460 -0.173 0.000 0.981 856 W HN -0.225 nan 8.180 nan 0.000 0.802 857 Q N 2.234 121.730 119.800 -0.507 0.000 2.413 857 Q HA 0.473 4.813 4.340 -0.001 0.000 0.258 857 Q C 0.111 175.883 176.000 -0.379 0.000 1.037 857 Q CA -0.174 55.263 55.803 -0.611 0.000 0.764 857 Q CB 0.933 29.323 28.738 -0.580 0.000 1.217 857 Q HN 0.293 nan 8.270 nan 0.000 0.490 871 T N 0.089 114.738 114.554 0.158 0.000 2.949 871 T HA 0.644 4.993 4.350 -0.001 0.000 0.287 871 T C -1.505 173.249 174.700 0.090 0.000 1.034 871 T CA 0.296 62.442 62.100 0.076 0.000 1.018 871 T CB 1.725 70.604 68.868 0.019 0.000 1.135 871 T HN 0.874 nan 8.240 nan 0.000 0.532 872 D N -0.304 120.046 120.400 -0.083 0.000 2.629 872 D HA 0.396 5.036 4.640 -0.001 0.000 0.250 872 D C -0.986 175.251 176.300 -0.106 0.000 1.126 872 D CA -0.716 53.279 54.000 -0.008 0.000 0.852 872 D CB 1.281 42.085 40.800 0.008 0.000 1.335 872 D HN 0.720 nan 8.370 nan 0.000 0.518 873 W N 1.863 123.163 121.300 -0.000 0.000 2.592 873 W HA 0.164 4.823 4.660 -0.001 0.000 0.306 873 W C 1.255 177.765 176.519 -0.014 0.000 0.991 873 W CA -0.241 57.101 57.345 -0.005 0.000 1.430 873 W CB 0.783 30.234 29.460 -0.014 0.000 1.017 873 W HN 0.371 nan 8.180 nan 0.000 0.557 874 D N 1.115 121.617 120.400 0.170 0.000 2.157 874 D HA -0.249 4.391 4.640 -0.001 0.000 0.191 874 D C 1.659 177.996 176.300 0.061 0.000 1.004 874 D CA 2.215 56.272 54.000 0.095 0.000 0.854 874 D CB -0.503 40.329 40.800 0.052 0.000 0.936 874 D HN 0.384 nan 8.370 nan 0.000 0.446 875 D N -0.065 120.347 120.400 0.021 0.000 2.350 875 D HA -0.048 4.592 4.640 -0.001 0.000 0.213 875 D C 0.404 176.688 176.300 -0.027 0.000 1.031 875 D CA -0.031 53.964 54.000 -0.010 0.000 0.861 875 D CB 0.149 40.930 40.800 -0.031 0.000 0.926 875 D HN -0.017 nan 8.370 nan 0.000 0.520 876 V N 2.124 122.026 119.914 -0.020 0.000 2.439 876 V HA 0.072 4.192 4.120 -0.001 0.000 0.271 876 V C 0.364 176.419 176.094 -0.065 0.000 1.040 876 V CA -0.389 61.864 62.300 -0.078 0.000 1.002 876 V CB 1.236 33.011 31.823 -0.081 0.000 1.000 876 V HN -0.013 nan 8.190 nan 0.000 0.477 877 V N 6.463 126.325 119.914 -0.087 0.000 2.439 877 V HA 0.444 4.564 4.120 -0.001 0.000 0.282 877 V C -0.178 175.896 176.094 -0.032 0.000 1.039 877 V CA -0.569 61.720 62.300 -0.018 0.000 0.913 877 V CB 1.231 33.038 31.823 -0.028 0.000 0.983 877 V HN 0.586 nan 8.190 nan 0.000 0.460 878 F N 1.862 121.878 119.950 0.110 0.000 2.385 878 F HA 0.380 4.906 4.527 -0.001 0.000 0.336 878 F C 1.137 177.064 175.800 0.212 0.000 1.100 878 F CA -0.541 57.574 58.000 0.191 0.000 1.116 878 F CB 1.073 40.130 39.000 0.095 0.000 1.166 878 F HN 0.410 nan 8.300 nan 0.000 0.511 879 E N 3.148 123.652 120.200 0.507 0.000 2.323 879 E HA 0.026 4.375 4.350 -0.001 0.000 0.313 879 E C 1.282 178.065 176.600 0.305 0.000 1.236 879 E CA 0.109 56.692 56.400 0.305 0.000 1.333 879 E CB -0.352 29.454 29.700 0.177 0.000 1.138 879 E HN 0.484 nan 8.360 nan 0.000 0.492 880 V N 1.552 121.623 119.914 0.262 0.000 2.214 880 V HA -0.323 3.797 4.120 -0.001 0.000 0.245 880 V C 1.601 177.791 176.094 0.160 0.000 1.047 880 V CA 2.016 64.435 62.300 0.198 0.000 0.998 880 V CB -0.213 31.700 31.823 0.149 0.000 0.633 880 V HN 0.390 nan 8.190 nan 0.000 0.446 881 D N -0.092 120.391 120.400 0.138 0.000 2.133 881 D HA -0.192 4.447 4.640 -0.001 0.000 0.192 881 D C 2.071 178.445 176.300 0.123 0.000 1.001 881 D CA 1.546 55.620 54.000 0.123 0.000 0.844 881 D CB -0.361 40.508 40.800 0.116 0.000 0.944 881 D HN 0.363 nan 8.370 nan 0.000 0.447 882 L N 0.125 121.421 121.223 0.123 0.000 2.005 882 L HA -0.112 4.228 4.340 -0.001 0.000 0.207 882 L C 2.621 179.562 176.870 0.118 0.000 1.072 882 L CA 0.483 55.386 54.840 0.105 0.000 0.744 882 L CB -0.422 41.678 42.059 0.068 0.000 0.895 882 L HN 0.057 nan 8.230 nan 0.000 0.433 883 L N 0.049 121.366 121.223 0.157 0.000 1.978 883 L HA -0.388 3.952 4.340 -0.001 0.000 0.235 883 L C 2.665 179.620 176.870 0.141 0.000 1.094 883 L CA 1.865 56.816 54.840 0.185 0.000 0.814 883 L CB -0.639 41.572 42.059 0.253 0.000 0.911 883 L HN 0.283 nan 8.230 nan 0.000 0.442 884 K N -0.191 120.286 120.400 0.128 0.000 2.304 884 K HA -0.184 4.135 4.320 -0.001 0.000 0.204 884 K C 1.278 177.929 176.600 0.085 0.000 1.044 884 K CA 0.934 57.280 56.287 0.098 0.000 0.932 884 K CB -0.120 32.432 32.500 0.088 0.000 0.735 884 K HN 0.403 nan 8.250 nan 0.000 0.468 885 S N 0.000 115.754 115.700 0.090 0.000 2.498 885 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 885 S CA 0.000 58.242 58.200 0.070 0.000 1.107 885 S CB 0.000 63.245 63.200 0.075 0.000 0.593 885 S HN 0.000 nan 8.310 nan 0.000 0.517