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 2b3y_1_A DATA FIRST_RESID 2 DATA SEQUENCE SNPFAHLAEP LDPVQPGKKF FNLNKLEDSR YGRLPFSIRV LLEAAIRNCD DATA SEQUENCE EFLVKKQDIE NILHWNVTQH KNIEVPFKPA RVILQDFTGV PAVVDFAAMR DATA SEQUENCE DAVKKLGGDP EKINPVCPAD LVIDHSIQVD FNRRADSLQK NQDLEFERNR DATA SEQUENCE ERFEFLKWGS QAFHNMRIIP PGSGIIHQVN LEYLARVVFD QDGYYYPDSL DATA SEQUENCE VGTDSHTTMI DGLGILGWGV GGIEAEAVML GQPISMVLPQ VIGYRLMGKP DATA SEQUENCE HPLVTSTDIV LTITKHLRQV GVVGKFVEFF GPGVAQLSIA DRATIANMCP DATA SEQUENCE EYGATAAFFP VDEVSITYLV QTGRDEEKLK YIKKYLQAVG MFRDFNDPSQ DATA SEQUENCE DPDFTQVVEL DLKTVVPCCS GPKRPQDKVA VSDMKKDFES CLGAKQGFKG DATA SEQUENCE FQVAPEHHND HKTFIYDNTE FTLAHGSVVI AAITSCTNTS NPSVMLGAGL DATA SEQUENCE LAKKAVDAGL NVMPYIKTSL SPGSGVVTYY LQESGVMPYL SQLGFDVVGY DATA SEQUENCE GCMTCIGNSG PLPEPVVEAI TQGDLVAVGV LSGNRNFEGR VHPNTRANYL DATA SEQUENCE ASPPLVIAYA IAGTIRIDFE KEPLGVNAKG QQVFLKDIWP TRDEIQAVER DATA SEQUENCE QYVIPGMFKE VYQKIETVNE SWNALATPSD KLFFWNSKST YIKSPPFFEN DATA SEQUENCE LTLDLQPPKS IVDAYVLLNL GDSVTTDHIS PAGNIARNSP AARYLTNRGL DATA SEQUENCE TPREFNSYGS RRGNDAVMAR GTFANIRLLN RFLNKQAPQT IHLPSGEILD DATA SEQUENCE VFDAAERYQQ AGLPLIVLAG KEYGAGSSRD WAAKGPFLLG IKAVLAESYE DATA SEQUENCE RIHRSNLVGM GVIPLEYLPG ENADALGLTG QERYTIIIPE NLKPQMKVQV DATA SEQUENCE KLDTGKTFQA VMRFDTDVEL TYFLNGGILN YMIRKMAK 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.616 174.600 0.027 0.000 1.055 2 S CA 0.000 58.209 58.200 0.015 0.000 1.107 2 S CB 0.000 63.208 63.200 0.013 0.000 0.593 3 N N 2.230 120.961 118.700 0.052 0.000 2.426 3 N HA 0.435 5.213 4.740 0.063 0.000 0.257 3 N C -2.115 173.425 175.510 0.049 0.000 1.002 3 N CA -2.026 51.075 53.050 0.084 0.000 0.942 3 N CB 1.057 39.636 38.487 0.154 0.000 1.112 3 N HN 0.144 nan 8.380 nan 0.000 0.499 4 P HA 0.010 nan 4.420 nan 0.000 0.228 4 P C 0.049 177.156 177.300 -0.321 0.000 1.151 4 P CA 1.079 63.996 63.100 -0.305 0.000 0.770 4 P CB -0.003 31.338 31.700 -0.599 0.000 0.786 5 F N -1.718 118.346 119.950 0.190 0.000 2.647 5 F HA 0.416 4.980 4.527 0.061 0.000 0.300 5 F C 2.042 178.015 175.800 0.287 0.000 1.106 5 F CA -0.303 57.836 58.000 0.232 0.000 1.313 5 F CB -0.576 38.475 39.000 0.086 0.000 1.007 5 F HN -0.154 nan 8.300 nan 0.000 0.536 6 A N 0.579 123.644 122.820 0.408 0.000 1.986 6 A HA -0.257 4.101 4.320 0.063 0.000 0.220 6 A C 2.186 179.872 177.584 0.169 0.000 1.171 6 A CA 2.113 54.334 52.037 0.308 0.000 0.640 6 A CB -1.069 18.051 19.000 0.201 0.000 0.811 6 A HN 0.612 nan 8.150 nan 0.000 0.451 7 H N -0.553 118.570 119.070 0.089 0.000 2.521 7 H HA 0.054 4.649 4.556 0.066 0.000 0.286 7 H C 1.513 176.847 175.328 0.011 0.000 1.034 7 H CA 1.248 57.316 56.048 0.032 0.000 1.278 7 H CB -0.685 29.093 29.762 0.026 0.000 1.386 7 H HN 0.479 nan 8.280 nan 0.000 0.567 8 L N 0.710 121.683 121.223 -0.416 0.000 2.418 8 L HA 0.204 4.582 4.340 0.063 0.000 0.218 8 L C 1.359 178.014 176.870 -0.359 0.000 1.125 8 L CA 0.218 54.852 54.840 -0.344 0.000 0.835 8 L CB -0.137 41.826 42.059 -0.160 0.000 0.953 8 L HN 0.211 nan 8.230 nan 0.000 0.454 9 A N 1.700 124.269 122.820 -0.419 0.000 2.404 9 A HA 0.379 4.737 4.320 0.063 0.000 0.273 9 A C 0.033 177.414 177.584 -0.338 0.000 1.144 9 A CA -0.042 51.665 52.037 -0.550 0.000 0.806 9 A CB -0.087 18.572 19.000 -0.568 0.000 1.080 9 A HN 0.441 nan 8.150 nan 0.000 0.509 10 E N 2.613 122.598 120.200 -0.358 0.000 2.412 10 E HA 0.559 4.947 4.350 0.063 0.000 0.279 10 E C -3.152 173.441 176.600 -0.012 0.000 0.984 10 E CA -2.473 53.823 56.400 -0.174 0.000 0.788 10 E CB 1.609 31.223 29.700 -0.143 0.000 1.277 10 E HN 0.341 nan 8.360 nan 0.000 0.455 11 P HA -0.039 nan 4.420 nan 0.000 0.268 11 P C 0.437 177.926 177.300 0.316 0.000 1.205 11 P CA -0.335 62.849 63.100 0.140 0.000 0.771 11 P CB 1.001 32.738 31.700 0.061 0.000 0.858 12 L N 2.069 123.502 121.223 0.350 0.000 2.056 12 L HA 0.070 4.448 4.340 0.063 0.000 0.207 12 L C 0.552 177.487 176.870 0.109 0.000 1.078 12 L CA 2.025 56.980 54.840 0.191 0.000 0.749 12 L CB -0.378 41.709 42.059 0.047 0.000 0.901 12 L HN 0.343 nan 8.230 nan 0.000 0.433 13 D N -2.170 118.294 120.400 0.107 0.000 2.736 13 D HA 0.257 4.935 4.640 0.063 0.000 0.243 13 D C -2.171 174.163 176.300 0.057 0.000 1.304 13 D CA -1.659 52.380 54.000 0.064 0.000 0.934 13 D CB 2.143 42.975 40.800 0.053 0.000 1.382 13 D HN -0.135 nan 8.370 nan 0.000 0.571 14 P HA -0.095 nan 4.420 nan 0.000 0.226 14 P C 1.370 178.684 177.300 0.023 0.000 1.146 14 P CA 0.314 63.433 63.100 0.032 0.000 0.773 14 P CB 0.590 32.307 31.700 0.028 0.000 0.772 15 V N -1.097 118.832 119.914 0.025 0.000 2.871 15 V HA -0.060 4.098 4.120 0.063 0.000 0.256 15 V C 1.167 177.274 176.094 0.021 0.000 1.082 15 V CA 1.426 63.738 62.300 0.020 0.000 1.105 15 V CB -0.410 31.426 31.823 0.020 0.000 0.713 15 V HN 0.117 nan 8.190 nan 0.000 0.473 16 Q N -0.175 119.643 119.800 0.029 0.000 3.122 16 Q HA 0.261 4.639 4.340 0.063 0.000 0.282 16 Q C -1.971 174.037 176.000 0.013 0.000 0.947 16 Q CA -1.446 54.372 55.803 0.025 0.000 0.812 16 Q CB 1.631 30.398 28.738 0.048 0.000 1.333 16 Q HN 0.372 nan 8.270 nan 0.000 0.430 17 P HA -0.059 nan 4.420 nan 0.000 0.223 17 P C 0.970 178.239 177.300 -0.050 0.000 1.151 17 P CA 0.957 64.050 63.100 -0.012 0.000 0.787 17 P CB 0.254 31.947 31.700 -0.012 0.000 0.788 18 G N 0.043 108.802 108.800 -0.068 0.000 2.744 18 G HA2 -0.075 3.923 3.960 0.063 0.000 0.211 18 G HA3 -0.075 3.923 3.960 0.063 0.000 0.211 18 G C 0.727 175.503 174.900 -0.207 0.000 1.143 18 G CA 0.068 45.096 45.100 -0.121 0.000 0.788 18 G HN 0.200 nan 8.290 nan 0.000 0.534 19 K N 1.453 121.747 120.400 -0.177 0.000 2.292 19 K HA 0.400 4.758 4.320 0.063 0.000 0.270 19 K C -0.373 176.115 176.600 -0.186 0.000 1.062 19 K CA -0.075 56.025 56.287 -0.312 0.000 0.916 19 K CB 1.669 34.022 32.500 -0.244 0.000 1.166 19 K HN 0.139 nan 8.250 nan 0.000 0.458 20 K N 1.695 121.883 120.400 -0.352 0.000 2.313 20 K HA 0.634 4.992 4.320 0.063 0.000 0.235 20 K C -0.389 176.301 176.600 0.151 0.000 1.035 20 K CA -0.846 55.359 56.287 -0.137 0.000 0.868 20 K CB 1.292 33.530 32.500 -0.437 0.000 1.232 20 K HN 0.478 nan 8.250 nan 0.000 0.459 21 F N -1.852 118.104 119.950 0.009 0.000 2.654 21 F HA 0.509 5.042 4.527 0.011 0.000 0.308 21 F C -1.382 174.487 175.800 0.115 0.000 1.108 21 F CA -1.440 56.697 58.000 0.229 0.000 0.957 21 F CB 0.752 40.052 39.000 0.500 0.000 1.309 21 F HN 0.205 nan 8.300 nan 0.000 0.446 22 F N 2.447 122.486 119.950 0.148 0.000 2.466 22 F HA 0.202 4.768 4.527 0.064 0.000 0.363 22 F C 0.719 176.380 175.800 -0.232 0.000 1.109 22 F CA -0.120 57.831 58.000 -0.082 0.000 1.161 22 F CB 0.141 39.160 39.000 0.031 0.000 1.117 22 F HN 0.492 nan 8.300 nan 0.000 0.539 23 N N 4.274 122.714 118.700 -0.433 0.000 2.448 23 N HA 0.064 4.842 4.740 0.063 0.000 0.250 23 N C 0.748 176.171 175.510 -0.145 0.000 1.136 23 N CA -0.063 52.776 53.050 -0.352 0.000 0.953 23 N CB 0.455 38.644 38.487 -0.497 0.000 1.251 23 N HN 0.492 nan 8.380 nan 0.000 0.502 24 L N 3.172 124.321 121.223 -0.123 0.000 2.353 24 L HA -0.047 4.331 4.340 0.063 0.000 0.220 24 L C 1.503 178.113 176.870 -0.433 0.000 1.133 24 L CA 1.122 55.728 54.840 -0.389 0.000 0.798 24 L CB -0.559 41.064 42.059 -0.728 0.000 0.922 24 L HN 0.578 nan 8.230 nan 0.000 0.445 25 N N -0.878 117.714 118.700 -0.180 0.000 2.396 25 N HA -0.119 4.659 4.740 0.063 0.000 0.180 25 N C 1.133 176.623 175.510 -0.033 0.000 1.028 25 N CA 0.331 53.354 53.050 -0.045 0.000 0.893 25 N CB 0.098 38.628 38.487 0.072 0.000 0.967 25 N HN 0.094 nan 8.380 nan 0.000 0.440 26 K N 0.423 120.787 120.400 -0.060 0.000 2.487 26 K HA 0.074 4.432 4.320 0.063 0.000 0.192 26 K C 0.941 177.533 176.600 -0.013 0.000 1.027 26 K CA 0.133 56.400 56.287 -0.033 0.000 1.054 26 K CB -0.017 32.445 32.500 -0.062 0.000 0.824 26 K HN 0.153 nan 8.250 nan 0.000 0.510 27 L N 1.313 122.506 121.223 -0.050 0.000 2.275 27 L HA -0.070 4.308 4.340 0.063 0.000 0.215 27 L C 0.161 177.051 176.870 0.033 0.000 1.119 27 L CA 0.961 55.798 54.840 -0.005 0.000 0.790 27 L CB -0.536 41.472 42.059 -0.084 0.000 0.919 27 L HN 0.232 nan 8.230 nan 0.000 0.443 28 E N 0.639 120.853 120.200 0.024 0.000 2.228 28 E HA -0.267 4.121 4.350 0.063 0.000 0.213 28 E C -0.060 176.569 176.600 0.049 0.000 1.282 28 E CA 0.737 57.162 56.400 0.043 0.000 0.707 28 E CB -1.676 28.052 29.700 0.047 0.000 1.150 28 E HN 0.473 nan 8.360 nan 0.000 0.362 29 D N -0.132 120.301 120.400 0.056 0.000 2.620 29 D HA 0.187 4.865 4.640 0.063 0.000 0.252 29 D C 0.882 177.239 176.300 0.095 0.000 1.207 29 D CA 0.138 54.179 54.000 0.068 0.000 0.884 29 D CB 1.007 41.845 40.800 0.063 0.000 1.262 29 D HN -0.033 nan 8.370 nan 0.000 0.552 30 S N 3.303 119.048 115.700 0.075 0.000 2.507 30 S HA -0.070 4.438 4.470 0.063 0.000 0.235 30 S C 1.595 176.235 174.600 0.067 0.000 0.988 30 S CA 0.301 58.541 58.200 0.067 0.000 0.944 30 S CB 0.092 63.320 63.200 0.048 0.000 0.762 30 S HN 0.466 nan 8.310 nan 0.000 0.526 31 R N -0.310 120.243 120.500 0.090 0.000 2.092 31 R HA -0.023 4.355 4.340 0.063 0.000 0.231 31 R C 2.102 178.446 176.300 0.074 0.000 1.119 31 R CA 1.400 57.556 56.100 0.093 0.000 0.970 31 R CB -0.544 29.837 30.300 0.134 0.000 0.864 31 R HN 0.534 nan 8.270 nan 0.000 0.440 32 Y N 0.927 121.207 120.300 -0.033 0.000 2.151 32 Y HA -0.165 4.419 4.550 0.055 0.000 0.284 32 Y C 2.150 177.963 175.900 -0.145 0.000 1.166 32 Y CA 1.714 59.763 58.100 -0.085 0.000 1.163 32 Y CB -0.667 37.753 38.460 -0.066 0.000 0.974 32 Y HN 0.044 nan 8.280 nan 0.000 0.511 33 G N -0.500 108.184 108.800 -0.194 0.000 2.679 33 G HA2 -0.126 3.872 3.960 0.063 0.000 0.212 33 G HA3 -0.126 3.872 3.960 0.063 0.000 0.212 33 G C 1.570 176.293 174.900 -0.295 0.000 1.137 33 G CA 0.309 45.234 45.100 -0.291 0.000 0.787 33 G HN 0.413 nan 8.290 nan 0.000 0.534 34 R N -0.816 119.536 120.500 -0.247 0.000 2.365 34 R HA 0.293 4.671 4.340 0.063 0.000 0.223 34 R C 0.263 176.369 176.300 -0.323 0.000 0.899 34 R CA -0.393 55.569 56.100 -0.230 0.000 1.059 34 R CB 0.256 30.490 30.300 -0.110 0.000 1.086 34 R HN 0.247 nan 8.270 nan 0.000 0.522 35 L N 3.348 124.333 121.223 -0.397 0.000 2.490 35 L HA 0.109 4.487 4.340 0.063 0.000 0.274 35 L C -2.071 174.419 176.870 -0.634 0.000 1.201 35 L CA -1.733 52.807 54.840 -0.498 0.000 0.869 35 L CB 0.043 41.824 42.059 -0.463 0.000 1.123 35 L HN -0.287 nan 8.230 nan 0.000 0.484 36 P HA -0.071 nan 4.420 nan 0.000 0.265 36 P C 0.202 177.346 177.300 -0.260 0.000 1.187 36 P CA 0.222 63.078 63.100 -0.408 0.000 0.766 36 P CB 0.350 31.812 31.700 -0.397 0.000 0.820 37 F N 0.890 120.798 119.950 -0.070 0.000 2.293 37 F HA -0.178 4.383 4.527 0.057 0.000 0.300 37 F C 2.456 178.196 175.800 -0.099 0.000 1.086 37 F CA 1.912 59.920 58.000 0.013 0.000 1.375 37 F CB -0.958 38.178 39.000 0.227 0.000 1.045 37 F HN 0.286 nan 8.300 nan 0.000 0.516 38 S N 0.082 115.706 115.700 -0.127 0.000 2.399 38 S HA -0.165 4.343 4.470 0.063 0.000 0.231 38 S C 1.972 176.405 174.600 -0.278 0.000 1.022 38 S CA 1.131 58.965 58.200 -0.611 0.000 0.983 38 S CB -0.668 62.223 63.200 -0.514 0.000 0.803 38 S HN 0.246 nan 8.310 nan 0.000 0.480 39 I N 2.354 122.769 120.570 -0.258 0.000 2.500 39 I HA 0.009 4.217 4.170 0.063 0.000 0.252 39 I C 2.662 178.663 176.117 -0.194 0.000 1.142 39 I CA 0.821 61.946 61.300 -0.292 0.000 1.451 39 I CB -1.225 36.404 38.000 -0.618 0.000 1.093 39 I HN 0.330 nan 8.210 nan 0.000 0.430 40 R N 0.401 120.793 120.500 -0.181 0.000 2.127 40 R HA -0.115 4.263 4.340 0.063 0.000 0.238 40 R C 2.308 178.641 176.300 0.054 0.000 1.134 40 R CA 1.065 57.151 56.100 -0.023 0.000 0.975 40 R CB -0.434 29.809 30.300 -0.096 0.000 0.865 40 R HN 0.214 nan 8.270 nan 0.000 0.447 41 V N 1.486 121.400 119.914 0.000 0.000 2.358 41 V HA -0.211 3.946 4.120 0.063 0.000 0.246 41 V C 2.308 178.397 176.094 -0.009 0.000 1.047 41 V CA 1.611 63.939 62.300 0.047 0.000 1.035 41 V CB -0.449 31.373 31.823 -0.002 0.000 0.658 41 V HN 0.269 nan 8.190 nan 0.000 0.452 42 L N -0.763 120.364 121.223 -0.161 0.000 2.046 42 L HA -0.185 4.193 4.340 0.063 0.000 0.208 42 L C 2.502 179.346 176.870 -0.044 0.000 1.077 42 L CA 1.231 55.944 54.840 -0.212 0.000 0.747 42 L CB -0.687 41.231 42.059 -0.236 0.000 0.896 42 L HN 0.333 nan 8.230 nan 0.000 0.432 43 L N 0.154 121.356 121.223 -0.036 0.000 1.989 43 L HA -0.238 4.140 4.340 0.063 0.000 0.211 43 L C 2.652 179.486 176.870 -0.060 0.000 1.071 43 L CA 1.861 56.678 54.840 -0.037 0.000 0.749 43 L CB -0.770 41.291 42.059 0.003 0.000 0.890 43 L HN 0.248 nan 8.230 nan 0.000 0.431 44 E N -0.084 120.123 120.200 0.011 0.000 2.058 44 E HA -0.238 4.150 4.350 0.063 0.000 0.194 44 E C 2.042 178.615 176.600 -0.045 0.000 0.997 44 E CA 1.483 57.895 56.400 0.019 0.000 0.801 44 E CB -0.195 29.616 29.700 0.185 0.000 0.746 44 E HN 0.582 nan 8.360 nan 0.000 0.450 45 A N 1.002 123.848 122.820 0.042 0.000 1.972 45 A HA -0.078 4.280 4.320 0.063 0.000 0.219 45 A C 2.382 179.932 177.584 -0.057 0.000 1.169 45 A CA 2.086 54.141 52.037 0.031 0.000 0.635 45 A CB -0.548 18.634 19.000 0.303 0.000 0.810 45 A HN 0.366 nan 8.150 nan 0.000 0.446 46 A N -0.141 122.649 122.820 -0.050 0.000 1.872 46 A HA 0.019 4.377 4.320 0.063 0.000 0.214 46 A C 2.107 179.567 177.584 -0.205 0.000 1.187 46 A CA 1.325 53.310 52.037 -0.086 0.000 0.614 46 A CB -0.524 18.439 19.000 -0.063 0.000 0.826 46 A HN 0.454 nan 8.150 nan 0.000 0.442 47 I N -0.811 119.549 120.570 -0.349 0.000 2.179 47 I HA -0.254 3.954 4.170 0.063 0.000 0.242 47 I C 2.716 178.463 176.117 -0.617 0.000 1.088 47 I CA 1.806 62.766 61.300 -0.568 0.000 1.357 47 I CB -0.242 37.365 38.000 -0.654 0.000 1.051 47 I HN 0.364 nan 8.210 nan 0.000 0.409 48 R N 0.875 120.914 120.500 -0.768 0.000 2.148 48 R HA -0.111 4.267 4.340 0.063 0.000 0.227 48 R C 1.466 177.462 176.300 -0.507 0.000 1.103 48 R CA 1.319 56.792 56.100 -1.046 0.000 0.983 48 R CB -0.047 29.823 30.300 -0.716 0.000 0.874 48 R HN 0.375 nan 8.270 nan 0.000 0.451 49 N N -0.152 118.357 118.700 -0.318 0.000 2.236 49 N HA -0.019 4.759 4.740 0.063 0.000 0.196 49 N C -0.525 174.938 175.510 -0.079 0.000 1.114 49 N CA 0.035 52.978 53.050 -0.179 0.000 0.859 49 N CB 0.222 38.618 38.487 -0.152 0.000 0.982 49 N HN 0.142 nan 8.380 nan 0.000 0.493 50 C N 3.084 122.356 119.300 -0.046 0.000 2.648 50 C HA 0.001 4.499 4.460 0.063 0.000 0.406 50 C C 1.125 176.156 174.990 0.068 0.000 1.406 50 C CA -0.143 58.919 59.018 0.072 0.000 1.610 50 C CB -0.881 27.014 27.740 0.258 0.000 2.451 50 C HN 0.443 nan 8.230 nan 0.000 0.608 51 D N 1.715 122.162 120.400 0.078 0.000 2.500 51 D HA 0.096 4.774 4.640 0.063 0.000 0.218 51 D C 0.754 177.118 176.300 0.107 0.000 1.140 51 D CA 0.117 54.170 54.000 0.088 0.000 0.830 51 D CB -0.169 40.701 40.800 0.116 0.000 1.055 51 D HN 0.549 nan 8.370 nan 0.000 0.512 52 E N -1.577 118.689 120.200 0.110 0.000 3.628 52 E HA -0.223 4.165 4.350 0.063 0.000 0.309 52 E C -0.144 176.569 176.600 0.188 0.000 0.839 52 E CA 0.589 57.056 56.400 0.110 0.000 1.123 52 E CB -1.875 27.867 29.700 0.070 0.000 1.568 52 E HN 0.483 nan 8.360 nan 0.000 0.440 53 F N -0.439 119.519 119.950 0.013 0.000 2.223 53 F HA 0.308 4.872 4.527 0.062 0.000 0.229 53 F C 1.867 177.679 175.800 0.020 0.000 1.066 53 F CA 0.536 58.545 58.000 0.014 0.000 1.199 53 F CB -0.704 38.302 39.000 0.011 0.000 1.539 53 F HN -0.048 nan 8.300 nan 0.000 0.554 54 L N 0.538 121.611 121.223 -0.250 0.000 2.141 54 L HA 0.017 4.395 4.340 0.063 0.000 0.209 54 L C -0.240 176.566 176.870 -0.106 0.000 1.094 54 L CA 0.570 55.240 54.840 -0.283 0.000 0.763 54 L CB -0.374 41.594 42.059 -0.153 0.000 0.908 54 L HN -0.033 nan 8.230 nan 0.000 0.437 55 V N 0.470 120.373 119.914 -0.019 0.000 2.482 55 V HA 0.280 4.438 4.120 0.063 0.000 0.295 55 V C -0.388 175.736 176.094 0.051 0.000 1.026 55 V CA -0.878 61.428 62.300 0.011 0.000 0.856 55 V CB 1.734 33.562 31.823 0.009 0.000 1.001 55 V HN 0.108 nan 8.190 nan 0.000 0.424 56 K N 2.685 123.117 120.400 0.053 0.000 2.166 56 K HA 0.471 4.829 4.320 0.063 0.000 0.245 56 K C 0.843 177.516 176.600 0.122 0.000 0.967 56 K CA -0.863 55.469 56.287 0.076 0.000 0.863 56 K CB 2.273 34.802 32.500 0.049 0.000 1.107 56 K HN 0.505 nan 8.250 nan 0.000 0.436 57 K N 1.159 121.641 120.400 0.137 0.000 2.103 57 K HA -0.287 4.071 4.320 0.063 0.000 0.207 57 K C 1.930 178.638 176.600 0.179 0.000 1.048 57 K CA 1.760 58.176 56.287 0.215 0.000 0.930 57 K CB 0.120 32.667 32.500 0.078 0.000 0.716 57 K HN 0.441 nan 8.250 nan 0.000 0.444 58 Q N 1.370 121.230 119.800 0.100 0.000 2.135 58 Q HA -0.186 4.192 4.340 0.063 0.000 0.204 58 Q C 1.334 177.377 176.000 0.071 0.000 0.981 58 Q CA 2.116 57.963 55.803 0.074 0.000 0.856 58 Q CB -0.226 28.539 28.738 0.045 0.000 0.902 58 Q HN 0.385 nan 8.270 nan 0.000 0.425 59 D N -0.584 119.856 120.400 0.067 0.000 2.123 59 D HA -0.164 4.513 4.640 0.063 0.000 0.196 59 D C 1.736 178.061 176.300 0.042 0.000 0.992 59 D CA 1.153 55.182 54.000 0.048 0.000 0.833 59 D CB -0.112 40.712 40.800 0.039 0.000 0.954 59 D HN 0.302 nan 8.370 nan 0.000 0.455 60 I N 0.858 121.456 120.570 0.047 0.000 2.252 60 I HA -0.214 3.994 4.170 0.063 0.000 0.245 60 I C 2.330 178.457 176.117 0.018 0.000 1.102 60 I CA 0.996 62.279 61.300 -0.029 0.000 1.385 60 I CB -0.323 37.571 38.000 -0.176 0.000 1.064 60 I HN -0.098 nan 8.210 nan 0.000 0.414 61 E N 1.048 121.293 120.200 0.075 0.000 2.051 61 E HA -0.228 4.160 4.350 0.063 0.000 0.192 61 E C 1.946 178.602 176.600 0.094 0.000 0.991 61 E CA 1.660 58.104 56.400 0.072 0.000 0.799 61 E CB -0.287 29.449 29.700 0.059 0.000 0.748 61 E HN 0.371 nan 8.360 nan 0.000 0.449 62 N N 0.301 119.053 118.700 0.088 0.000 2.094 62 N HA -0.168 4.610 4.740 0.063 0.000 0.191 62 N C 1.949 177.529 175.510 0.116 0.000 1.023 62 N CA 1.649 54.761 53.050 0.103 0.000 0.857 62 N CB -0.320 38.205 38.487 0.063 0.000 1.013 62 N HN 0.335 nan 8.380 nan 0.000 0.426 63 I N 0.653 121.276 120.570 0.089 0.000 2.163 63 I HA -0.189 4.019 4.170 0.063 0.000 0.240 63 I C 2.288 178.486 176.117 0.136 0.000 1.081 63 I CA 0.624 61.980 61.300 0.094 0.000 1.353 63 I CB -0.273 37.746 38.000 0.032 0.000 1.054 63 I HN 0.068 nan 8.210 nan 0.000 0.407 64 L N 0.213 121.502 121.223 0.110 0.000 2.089 64 L HA -0.292 4.086 4.340 0.063 0.000 0.213 64 L C 2.202 179.207 176.870 0.225 0.000 1.079 64 L CA 1.509 56.433 54.840 0.140 0.000 0.758 64 L CB -0.588 41.531 42.059 0.099 0.000 0.891 64 L HN 0.392 nan 8.230 nan 0.000 0.433 65 H N -1.861 117.263 119.070 0.089 0.000 2.607 65 H HA -0.117 4.477 4.556 0.062 0.000 0.288 65 H C 1.126 176.499 175.328 0.076 0.000 1.058 65 H CA -0.307 55.783 56.048 0.070 0.000 1.178 65 H CB -0.456 29.326 29.762 0.033 0.000 1.340 65 H HN 0.373 nan 8.280 nan 0.000 0.591 66 W N 0.914 122.182 121.300 -0.052 0.000 2.290 66 W HA -0.353 4.346 4.660 0.066 0.000 0.318 66 W C 2.159 178.560 176.519 -0.197 0.000 1.248 66 W CA 2.196 59.462 57.345 -0.133 0.000 1.263 66 W CB -0.441 28.948 29.460 -0.119 0.000 1.147 66 W HN 0.268 nan 8.180 nan 0.000 0.494 67 N N 0.063 118.686 118.700 -0.129 0.000 2.192 67 N HA -0.184 4.594 4.740 0.063 0.000 0.188 67 N C 1.412 176.624 175.510 -0.496 0.000 1.013 67 N CA 2.200 55.000 53.050 -0.416 0.000 0.863 67 N CB -0.260 38.198 38.487 -0.048 0.000 0.990 67 N HN 0.251 nan 8.380 nan 0.000 0.430 68 V N 0.089 119.702 119.914 -0.502 0.000 2.436 68 V HA -0.087 4.071 4.120 0.063 0.000 0.240 68 V C 2.417 178.284 176.094 -0.378 0.000 1.040 68 V CA 1.885 63.924 62.300 -0.436 0.000 1.052 68 V CB -0.675 30.730 31.823 -0.696 0.000 0.707 68 V HN 0.482 nan 8.190 nan 0.000 0.469 69 T N 0.011 114.315 114.554 -0.417 0.000 3.035 69 T HA -0.233 4.155 4.350 0.063 0.000 0.268 69 T C 1.718 176.209 174.700 -0.348 0.000 1.109 69 T CA 1.351 63.296 62.100 -0.259 0.000 1.119 69 T CB -0.465 68.337 68.868 -0.110 0.000 0.900 69 T HN 0.709 nan 8.240 nan 0.000 0.503 70 Q N 0.395 119.801 119.800 -0.658 0.000 2.368 70 Q HA -0.190 4.188 4.340 0.063 0.000 0.210 70 Q C 1.411 177.004 176.000 -0.677 0.000 0.982 70 Q CA 1.370 56.698 55.803 -0.792 0.000 0.884 70 Q CB -0.563 27.351 28.738 -1.373 0.000 0.933 70 Q HN 0.645 nan 8.270 nan 0.000 0.460 71 H N -0.081 118.808 119.070 -0.301 0.000 2.652 71 H HA 0.281 4.875 4.556 0.063 0.000 0.274 71 H C 0.487 175.725 175.328 -0.151 0.000 1.021 71 H CA 0.104 56.025 56.048 -0.211 0.000 1.187 71 H CB 0.737 30.374 29.762 -0.208 0.000 1.505 71 H HN 0.268 nan 8.280 nan 0.000 0.530 72 K N 0.941 121.298 120.400 -0.073 0.000 2.455 72 K HA 0.026 4.384 4.320 0.063 0.000 0.206 72 K C 0.066 176.634 176.600 -0.054 0.000 1.027 72 K CA -0.336 55.922 56.287 -0.049 0.000 1.113 72 K CB 0.444 32.917 32.500 -0.045 0.000 0.850 72 K HN 0.054 nan 8.250 nan 0.000 0.503 73 N N 1.831 120.488 118.700 -0.072 0.000 2.714 73 N HA -0.190 4.588 4.740 0.063 0.000 0.253 73 N C -1.181 174.297 175.510 -0.054 0.000 1.024 73 N CA 0.398 53.410 53.050 -0.062 0.000 0.726 73 N CB -1.357 37.103 38.487 -0.044 0.000 0.908 73 N HN 0.297 nan 8.380 nan 0.000 0.542 74 I N 1.184 121.718 120.570 -0.061 0.000 2.354 74 I HA 0.172 4.379 4.170 0.063 0.000 0.292 74 I C 0.760 176.854 176.117 -0.037 0.000 0.989 74 I CA -0.827 60.448 61.300 -0.042 0.000 1.188 74 I CB 1.103 39.083 38.000 -0.034 0.000 1.342 74 I HN 0.261 nan 8.210 nan 0.000 0.457 75 E N 6.896 127.079 120.200 -0.029 0.000 2.343 75 E HA 0.539 4.926 4.350 0.063 0.000 0.269 75 E C -0.912 175.685 176.600 -0.006 0.000 1.047 75 E CA -0.712 55.675 56.400 -0.022 0.000 0.874 75 E CB 1.780 31.461 29.700 -0.031 0.000 1.033 75 E HN 0.355 nan 8.360 nan 0.000 0.409 76 V N -1.757 118.164 119.914 0.013 0.000 3.007 76 V HA 0.628 4.786 4.120 0.063 0.000 0.311 76 V C -2.731 173.405 176.094 0.071 0.000 1.120 76 V CA -2.694 59.627 62.300 0.035 0.000 0.980 76 V CB 1.603 33.450 31.823 0.040 0.000 1.033 76 V HN 0.736 nan 8.190 nan 0.000 0.429 77 P HA 0.475 nan 4.420 nan 0.000 0.281 77 P C -1.498 175.946 177.300 0.239 0.000 1.249 77 P CA -0.074 63.094 63.100 0.114 0.000 0.810 77 P CB 1.359 33.092 31.700 0.055 0.000 1.008 78 F N 1.941 121.927 119.950 0.061 0.000 2.585 78 F HA 0.423 4.987 4.527 0.062 0.000 0.319 78 F C -0.889 174.926 175.800 0.025 0.000 1.165 78 F CA -1.184 56.855 58.000 0.066 0.000 0.949 78 F CB 1.996 41.096 39.000 0.167 0.000 1.218 78 F HN 0.118 nan 8.300 nan 0.000 0.453 79 K N 8.229 128.436 120.400 -0.322 0.000 2.404 79 K HA 0.382 4.740 4.320 0.063 0.000 0.257 79 K C -2.524 173.601 176.600 -0.792 0.000 1.026 79 K CA -1.790 54.208 56.287 -0.482 0.000 0.951 79 K CB 1.281 33.636 32.500 -0.242 0.000 1.203 79 K HN 0.343 nan 8.250 nan 0.000 0.446 80 P HA 0.013 nan 4.420 nan 0.000 0.272 80 P C 0.080 177.141 177.300 -0.399 0.000 1.240 80 P CA -0.149 62.472 63.100 -0.798 0.000 0.791 80 P CB 1.132 32.416 31.700 -0.693 0.000 0.978 81 A N 1.900 124.559 122.820 -0.267 0.000 2.014 81 A HA -0.045 4.313 4.320 0.063 0.000 0.218 81 A C 1.164 178.581 177.584 -0.278 0.000 1.163 81 A CA 1.141 52.965 52.037 -0.356 0.000 0.652 81 A CB -0.451 18.217 19.000 -0.554 0.000 0.808 81 A HN 0.756 nan 8.150 nan 0.000 0.449 82 R N -3.865 116.563 120.500 -0.119 0.000 2.764 82 R HA 0.646 5.024 4.340 0.063 0.000 0.276 82 R C -2.098 174.196 176.300 -0.010 0.000 1.021 82 R CA -0.771 55.335 56.100 0.009 0.000 0.870 82 R CB 0.901 31.314 30.300 0.189 0.000 1.293 82 R HN -0.048 nan 8.270 nan 0.000 0.469 83 V N 1.247 121.179 119.914 0.030 0.000 2.789 83 V HA 0.595 4.753 4.120 0.063 0.000 0.311 83 V C -0.640 175.484 176.094 0.049 0.000 1.073 83 V CA -0.804 61.506 62.300 0.016 0.000 0.921 83 V CB 1.993 33.821 31.823 0.009 0.000 1.009 83 V HN 0.681 nan 8.190 nan 0.000 0.426 84 I N 4.319 124.920 120.570 0.051 0.000 2.569 84 I HA 0.708 4.916 4.170 0.063 0.000 0.296 84 I C -1.612 174.540 176.117 0.060 0.000 1.028 84 I CA -0.633 60.708 61.300 0.069 0.000 1.082 84 I CB 1.895 39.955 38.000 0.099 0.000 1.264 84 I HN 0.514 nan 8.210 nan 0.000 0.429 85 L N 5.465 126.718 121.223 0.050 0.000 2.359 85 L HA 0.547 4.925 4.340 0.063 0.000 0.256 85 L C -0.916 175.973 176.870 0.032 0.000 1.026 85 L CA -0.468 54.395 54.840 0.038 0.000 0.828 85 L CB 1.971 44.046 42.059 0.027 0.000 1.406 85 L HN 0.570 nan 8.230 nan 0.000 0.413 86 Q N -0.929 118.884 119.800 0.020 0.000 2.486 86 Q HA 0.419 4.797 4.340 0.063 0.000 0.274 86 Q C -0.055 175.975 176.000 0.049 0.000 1.076 86 Q CA -0.722 55.092 55.803 0.018 0.000 0.872 86 Q CB 0.804 29.533 28.738 -0.015 0.000 1.383 86 Q HN 0.593 nan 8.270 nan 0.000 0.478 87 D N -0.476 119.983 120.400 0.098 0.000 2.194 87 D HA -0.111 4.567 4.640 0.063 0.000 0.204 87 D C 1.084 177.571 176.300 0.310 0.000 0.964 87 D CA 0.720 54.844 54.000 0.207 0.000 0.846 87 D CB -0.091 40.870 40.800 0.267 0.000 0.962 87 D HN 0.338 nan 8.370 nan 0.000 0.490 88 F N 2.442 122.373 119.950 -0.032 0.000 2.102 88 F HA -0.100 4.465 4.527 0.063 0.000 0.298 88 F C 2.697 178.515 175.800 0.031 0.000 1.105 88 F CA 1.803 59.797 58.000 -0.009 0.000 1.239 88 F CB -0.948 37.973 39.000 -0.132 0.000 0.991 88 F HN 0.136 nan 8.300 nan 0.000 0.474 89 T N -3.681 110.974 114.554 0.169 0.000 3.065 89 T HA 0.203 4.591 4.350 0.063 0.000 0.252 89 T C 2.158 176.917 174.700 0.099 0.000 1.099 89 T CA 0.653 62.824 62.100 0.118 0.000 1.063 89 T CB -0.396 68.515 68.868 0.073 0.000 0.948 89 T HN 0.194 nan 8.240 nan 0.000 0.506 90 G N 1.387 110.258 108.800 0.120 0.000 2.408 90 G HA2 -0.011 3.987 3.960 0.063 0.000 0.215 90 G HA3 -0.011 3.987 3.960 0.063 0.000 0.215 90 G C 1.465 176.470 174.900 0.175 0.000 1.156 90 G CA 0.628 45.793 45.100 0.108 0.000 0.793 90 G HN 0.419 nan 8.290 nan 0.000 0.535 91 V N 2.582 122.647 119.914 0.252 0.000 2.220 91 V HA -0.123 4.035 4.120 0.063 0.000 0.246 91 V C 0.492 176.781 176.094 0.325 0.000 1.049 91 V CA 2.439 64.951 62.300 0.352 0.000 1.003 91 V CB -1.153 30.854 31.823 0.306 0.000 0.634 91 V HN 0.310 nan 8.190 nan 0.000 0.444 92 P HA -0.178 nan 4.420 nan 0.000 0.218 92 P C 1.586 178.976 177.300 0.150 0.000 1.148 92 P CA 2.206 65.462 63.100 0.261 0.000 0.822 92 P CB -0.112 31.785 31.700 0.329 0.000 0.784 93 A N 0.134 122.978 122.820 0.039 0.000 1.883 93 A HA -0.144 4.214 4.320 0.063 0.000 0.217 93 A C 2.475 179.925 177.584 -0.224 0.000 1.186 93 A CA 2.149 54.081 52.037 -0.176 0.000 0.624 93 A CB -1.654 17.198 19.000 -0.246 0.000 0.822 93 A HN 0.095 nan 8.150 nan 0.000 0.444 94 V N -0.536 119.380 119.914 0.003 0.000 2.548 94 V HA -0.174 3.984 4.120 0.063 0.000 0.249 94 V C 2.532 178.864 176.094 0.397 0.000 1.055 94 V CA 1.597 63.938 62.300 0.068 0.000 1.065 94 V CB -0.569 31.279 31.823 0.040 0.000 0.681 94 V HN 0.360 nan 8.190 nan 0.000 0.462 95 V N 0.376 120.623 119.914 0.555 0.000 2.287 95 V HA -0.286 3.872 4.120 0.063 0.000 0.248 95 V C 2.336 178.755 176.094 0.542 0.000 1.053 95 V CA 2.309 64.978 62.300 0.615 0.000 1.027 95 V CB -0.677 31.407 31.823 0.435 0.000 0.646 95 V HN 0.550 nan 8.190 nan 0.000 0.447 96 D N -0.347 120.258 120.400 0.341 0.000 2.104 96 D HA -0.165 4.513 4.640 0.063 0.000 0.194 96 D C 2.034 178.599 176.300 0.442 0.000 0.994 96 D CA 1.300 55.508 54.000 0.346 0.000 0.830 96 D CB -0.370 40.494 40.800 0.107 0.000 0.959 96 D HN 0.336 nan 8.370 nan 0.000 0.452 97 F N 1.363 121.389 119.950 0.127 0.000 2.095 97 F HA -0.140 4.424 4.527 0.063 0.000 0.298 97 F C 2.523 178.535 175.800 0.352 0.000 1.104 97 F CA 0.677 58.679 58.000 0.004 0.000 1.232 97 F CB -1.246 37.337 39.000 -0.695 0.000 0.987 97 F HN -0.078 nan 8.300 nan 0.000 0.475 98 A N -0.133 123.134 122.820 0.745 0.000 1.877 98 A HA -0.078 4.280 4.320 0.063 0.000 0.216 98 A C 2.482 180.547 177.584 0.801 0.000 1.186 98 A CA 2.121 54.658 52.037 0.834 0.000 0.620 98 A CB -1.308 18.130 19.000 0.731 0.000 0.822 98 A HN 0.309 nan 8.150 nan 0.000 0.443 99 A N -0.632 122.690 122.820 0.837 0.000 1.902 99 A HA -0.135 4.223 4.320 0.063 0.000 0.217 99 A C 2.257 180.152 177.584 0.518 0.000 1.181 99 A CA 1.858 54.326 52.037 0.718 0.000 0.623 99 A CB -0.557 18.844 19.000 0.669 0.000 0.818 99 A HN 0.543 nan 8.150 nan 0.000 0.443 100 M N -1.267 118.563 119.600 0.383 0.000 2.159 100 M HA -0.145 4.373 4.480 0.063 0.000 0.263 100 M C 2.369 178.737 176.300 0.113 0.000 1.063 100 M CA 1.344 56.666 55.300 0.036 0.000 1.110 100 M CB -0.306 32.318 32.600 0.040 0.000 1.374 100 M HN 0.348 nan 8.290 nan 0.000 0.411 101 R N 0.343 121.001 120.500 0.262 0.000 2.081 101 R HA -0.142 4.236 4.340 0.063 0.000 0.235 101 R C 1.706 178.127 176.300 0.203 0.000 1.131 101 R CA 1.428 57.659 56.100 0.217 0.000 0.960 101 R CB -0.423 30.044 30.300 0.277 0.000 0.856 101 R HN 0.380 nan 8.270 nan 0.000 0.436 102 D N 0.470 121.046 120.400 0.294 0.000 2.104 102 D HA -0.143 4.535 4.640 0.063 0.000 0.194 102 D C 1.808 178.215 176.300 0.179 0.000 0.994 102 D CA 1.619 55.784 54.000 0.275 0.000 0.830 102 D CB -0.303 40.730 40.800 0.388 0.000 0.959 102 D HN 0.220 nan 8.370 nan 0.000 0.452 103 A N 0.644 123.556 122.820 0.152 0.000 1.877 103 A HA -0.151 4.207 4.320 0.063 0.000 0.216 103 A C 2.578 180.178 177.584 0.027 0.000 1.186 103 A CA 1.488 53.569 52.037 0.072 0.000 0.620 103 A CB -0.867 18.106 19.000 -0.046 0.000 0.822 103 A HN 0.149 nan 8.150 nan 0.000 0.443 104 V N 0.374 120.291 119.914 0.005 0.000 2.332 104 V HA -0.293 3.865 4.120 0.063 0.000 0.248 104 V C 2.560 178.669 176.094 0.024 0.000 1.055 104 V CA 2.468 64.766 62.300 -0.003 0.000 1.038 104 V CB -0.689 31.127 31.823 -0.013 0.000 0.651 104 V HN 0.712 nan 8.190 nan 0.000 0.450 105 K N 0.192 120.624 120.400 0.053 0.000 2.026 105 K HA -0.256 4.102 4.320 0.063 0.000 0.208 105 K C 2.259 178.891 176.600 0.054 0.000 1.048 105 K CA 1.727 58.048 56.287 0.057 0.000 0.929 105 K CB -0.131 32.417 32.500 0.081 0.000 0.713 105 K HN 0.237 nan 8.250 nan 0.000 0.439 106 K N 0.749 121.189 120.400 0.066 0.000 2.089 106 K HA -0.104 4.254 4.320 0.063 0.000 0.210 106 K C 1.771 178.397 176.600 0.043 0.000 1.048 106 K CA 1.454 57.777 56.287 0.060 0.000 0.926 106 K CB -0.092 32.452 32.500 0.073 0.000 0.714 106 K HN 0.192 nan 8.250 nan 0.000 0.448 107 L N -1.137 120.106 121.223 0.033 0.000 2.599 107 L HA 0.090 4.468 4.340 0.063 0.000 0.230 107 L C 0.963 177.843 176.870 0.016 0.000 1.141 107 L CA 0.492 55.345 54.840 0.022 0.000 0.877 107 L CB -0.077 41.988 42.059 0.009 0.000 1.009 107 L HN 0.561 nan 8.230 nan 0.000 0.447 108 G N -0.259 108.553 108.800 0.020 0.000 2.141 108 G HA2 -0.202 3.796 3.960 0.063 0.000 0.231 108 G HA3 -0.202 3.796 3.960 0.063 0.000 0.231 108 G C 0.464 175.370 174.900 0.010 0.000 0.984 108 G CA -0.140 44.970 45.100 0.016 0.000 0.660 108 G HN 0.502 nan 8.290 nan 0.000 0.525 109 G N -0.875 107.929 108.800 0.007 0.000 2.540 109 G HA2 0.495 4.493 3.960 0.063 0.000 0.301 109 G HA3 0.495 4.493 3.960 0.063 0.000 0.301 109 G C -0.746 174.156 174.900 0.004 0.000 1.272 109 G CA 0.201 45.300 45.100 -0.001 0.000 1.009 109 G HN 0.216 nan 8.290 nan 0.000 0.497 110 D N 0.085 120.484 120.400 -0.003 0.000 2.396 110 D HA 0.262 4.940 4.640 0.063 0.000 0.225 110 D C -1.180 175.117 176.300 -0.006 0.000 1.121 110 D CA -2.155 51.844 54.000 -0.002 0.000 0.853 110 D CB 1.786 42.583 40.800 -0.005 0.000 1.043 110 D HN -0.009 nan 8.370 nan 0.000 0.500 111 P HA -0.084 nan 4.420 nan 0.000 0.230 111 P C 0.744 178.025 177.300 -0.031 0.000 1.158 111 P CA 0.454 63.559 63.100 0.008 0.000 0.769 111 P CB 0.592 32.316 31.700 0.040 0.000 0.807 112 E N 0.524 120.697 120.200 -0.045 0.000 2.409 112 E HA -0.100 4.288 4.350 0.063 0.000 0.198 112 E C 1.659 178.217 176.600 -0.070 0.000 1.024 112 E CA 0.636 56.987 56.400 -0.081 0.000 0.861 112 E CB -0.241 29.434 29.700 -0.041 0.000 0.788 112 E HN 0.422 nan 8.360 nan 0.000 0.521 113 K N 0.249 120.621 120.400 -0.047 0.000 2.288 113 K HA -0.014 4.344 4.320 0.063 0.000 0.201 113 K C 0.562 177.114 176.600 -0.081 0.000 1.048 113 K CA 0.330 56.589 56.287 -0.047 0.000 0.956 113 K CB 0.264 32.743 32.500 -0.036 0.000 0.746 113 K HN 0.018 nan 8.250 nan 0.000 0.461 114 I N 2.672 123.187 120.570 -0.092 0.000 2.293 114 I HA 0.060 4.268 4.170 0.063 0.000 0.299 114 I C -0.907 175.082 176.117 -0.215 0.000 1.153 114 I CA 0.510 61.717 61.300 -0.155 0.000 1.302 114 I CB -0.995 36.978 38.000 -0.046 0.000 1.460 114 I HN 0.112 nan 8.210 nan 0.000 0.552 115 N N 6.270 124.798 118.700 -0.288 0.000 2.554 115 N HA 0.285 5.063 4.740 0.063 0.000 0.271 115 N C -2.830 172.577 175.510 -0.172 0.000 1.081 115 N CA -1.027 51.874 53.050 -0.248 0.000 0.994 115 N CB 2.619 40.946 38.487 -0.267 0.000 1.641 115 N HN 0.120 nan 8.380 nan 0.000 0.511 116 P HA -0.053 nan 4.420 nan 0.000 0.262 116 P C 0.497 177.832 177.300 0.059 0.000 1.182 116 P CA -0.099 63.009 63.100 0.014 0.000 0.761 116 P CB 0.619 32.375 31.700 0.095 0.000 0.795 117 V N 0.689 120.630 119.914 0.045 0.000 3.483 117 V HA 0.197 4.355 4.120 0.063 0.000 0.301 117 V C 0.415 176.531 176.094 0.038 0.000 1.389 117 V CA -0.008 62.319 62.300 0.045 0.000 1.101 117 V CB -0.899 30.938 31.823 0.023 0.000 0.971 117 V HN 0.639 nan 8.190 nan 0.000 0.434 118 C N -2.494 116.833 119.300 0.045 0.000 2.971 118 C HA 0.863 5.361 4.460 0.063 0.000 0.310 118 C C -2.958 172.084 174.990 0.088 0.000 1.285 118 C CA -2.377 56.669 59.018 0.047 0.000 1.593 118 C CB 1.359 29.096 27.740 -0.005 0.000 2.076 118 C HN 0.233 nan 8.230 nan 0.000 0.472 119 P HA 0.369 nan 4.420 nan 0.000 0.265 119 P C -0.580 176.788 177.300 0.113 0.000 1.193 119 P CA 0.793 63.976 63.100 0.139 0.000 0.765 119 P CB 0.400 32.224 31.700 0.206 0.000 0.823 120 A N 2.926 125.809 122.820 0.105 0.000 2.319 120 A HA 0.494 4.852 4.320 0.063 0.000 0.310 120 A C -0.898 176.738 177.584 0.088 0.000 1.152 120 A CA -0.511 51.582 52.037 0.093 0.000 0.783 120 A CB 0.806 19.867 19.000 0.101 0.000 1.184 120 A HN 0.374 nan 8.150 nan 0.000 0.474 121 D N 2.024 122.471 120.400 0.078 0.000 2.278 121 D HA 0.452 5.129 4.640 0.063 0.000 0.245 121 D C -1.073 175.264 176.300 0.062 0.000 1.052 121 D CA 0.063 54.106 54.000 0.072 0.000 0.834 121 D CB 2.317 43.160 40.800 0.072 0.000 1.194 121 D HN 0.494 nan 8.370 nan 0.000 0.481 122 L N 2.073 123.327 121.223 0.052 0.000 2.356 122 L HA 0.480 4.858 4.340 0.063 0.000 0.277 122 L C -1.418 175.452 176.870 0.000 0.000 0.996 122 L CA -0.695 54.166 54.840 0.035 0.000 0.822 122 L CB 1.668 43.756 42.059 0.048 0.000 1.256 122 L HN 0.052 nan 8.230 nan 0.000 0.413 123 V N 6.065 125.977 119.914 -0.003 0.000 2.417 123 V HA 0.390 4.548 4.120 0.063 0.000 0.291 123 V C 0.177 176.247 176.094 -0.040 0.000 1.024 123 V CA -0.432 61.847 62.300 -0.034 0.000 0.861 123 V CB 1.722 33.544 31.823 -0.003 0.000 0.985 123 V HN 0.578 nan 8.190 nan 0.000 0.436 124 I N 5.402 125.896 120.570 -0.126 0.000 2.281 124 I HA 0.295 4.503 4.170 0.063 0.000 0.293 124 I C 0.233 176.318 176.117 -0.053 0.000 1.085 124 I CA 0.066 61.298 61.300 -0.114 0.000 1.257 124 I CB 0.633 38.424 38.000 -0.348 0.000 1.430 124 I HN 0.833 nan 8.210 nan 0.000 0.489 125 D N 1.649 122.075 120.400 0.043 0.000 2.486 125 D HA -0.033 4.645 4.640 0.063 0.000 0.243 125 D C 1.099 177.341 176.300 -0.097 0.000 1.146 125 D CA 0.186 54.181 54.000 -0.008 0.000 0.821 125 D CB 0.023 40.808 40.800 -0.026 0.000 1.201 125 D HN 0.394 nan 8.370 nan 0.000 0.525 126 H N -0.179 118.778 119.070 -0.189 0.000 2.529 126 H HA 0.420 5.014 4.556 0.063 0.000 0.277 126 H C 1.039 176.131 175.328 -0.393 0.000 1.004 126 H CA 0.376 56.128 56.048 -0.494 0.000 1.167 126 H CB 0.840 29.941 29.762 -1.102 0.000 1.445 126 H HN -0.006 nan 8.280 nan 0.000 0.554 127 S N -0.384 115.335 115.700 0.031 0.000 2.497 127 S HA 0.167 4.675 4.470 0.063 0.000 0.221 127 S C 0.847 175.524 174.600 0.128 0.000 1.037 127 S CA -0.294 58.006 58.200 0.166 0.000 0.920 127 S CB 0.690 64.093 63.200 0.338 0.000 0.800 127 S HN 0.307 nan 8.310 nan 0.000 0.505 128 I N 2.237 122.860 120.570 0.088 0.000 2.638 128 I HA 0.164 4.372 4.170 0.063 0.000 0.286 128 I C -0.583 175.560 176.117 0.042 0.000 1.088 128 I CA -0.098 61.252 61.300 0.084 0.000 1.397 128 I CB 0.727 38.778 38.000 0.085 0.000 1.414 128 I HN 0.180 nan 8.210 nan 0.000 0.566 129 Q N 4.947 124.777 119.800 0.051 0.000 2.423 129 Q HA 0.367 4.745 4.340 0.063 0.000 0.278 129 Q C -0.901 175.111 176.000 0.020 0.000 1.097 129 Q CA -0.984 54.838 55.803 0.031 0.000 0.809 129 Q CB 2.537 31.297 28.738 0.037 0.000 1.391 129 Q HN 0.484 nan 8.270 nan 0.000 0.428 130 V N 2.207 122.122 119.914 0.002 0.000 1.973 130 V HA -0.044 4.114 4.120 0.063 0.000 0.255 130 V C 0.534 176.597 176.094 -0.051 0.000 1.605 130 V CA 0.417 62.711 62.300 -0.010 0.000 1.542 130 V CB -0.835 30.976 31.823 -0.021 0.000 1.504 130 V HN 0.749 nan 8.190 nan 0.000 0.505 131 D N 1.566 121.922 120.400 -0.074 0.000 2.117 131 D HA -0.070 4.608 4.640 0.063 0.000 0.197 131 D C 0.329 176.317 176.300 -0.521 0.000 0.987 131 D CA 1.686 55.507 54.000 -0.298 0.000 0.829 131 D CB 0.231 40.865 40.800 -0.276 0.000 0.961 131 D HN 0.498 nan 8.370 nan 0.000 0.460 132 F N 0.337 120.286 119.950 -0.002 0.000 2.563 132 F HA 0.304 4.869 4.527 0.063 0.000 0.316 132 F C 0.548 176.327 175.800 -0.034 0.000 1.076 132 F CA -1.140 56.853 58.000 -0.011 0.000 0.921 132 F CB 1.811 40.807 39.000 -0.006 0.000 1.209 132 F HN -0.200 nan 8.300 nan 0.000 0.462 133 N N 0.826 119.614 118.700 0.147 0.000 2.853 133 N HA 0.425 5.203 4.740 0.063 0.000 0.258 133 N C -0.185 175.328 175.510 0.006 0.000 1.444 133 N CA -0.874 52.192 53.050 0.027 0.000 0.837 133 N CB 2.147 40.601 38.487 -0.054 0.000 1.489 133 N HN 0.726 nan 8.380 nan 0.000 0.529 134 R N -0.956 119.509 120.500 -0.058 0.000 3.951 134 R HA -0.164 4.214 4.340 0.063 0.000 0.352 134 R C -0.911 175.371 176.300 -0.030 0.000 1.178 134 R CA 1.132 57.191 56.100 -0.069 0.000 0.949 134 R CB -0.831 29.424 30.300 -0.075 0.000 1.452 134 R HN 0.772 nan 8.270 nan 0.000 0.540 135 R N -2.129 118.358 120.500 -0.022 0.000 2.836 135 R HA 0.521 4.899 4.340 0.063 0.000 0.269 135 R C 0.747 177.024 176.300 -0.039 0.000 1.010 135 R CA -0.098 55.986 56.100 -0.027 0.000 0.930 135 R CB 0.982 31.267 30.300 -0.025 0.000 1.218 135 R HN 0.067 nan 8.270 nan 0.000 0.473 136 A N 0.870 123.664 122.820 -0.043 0.000 1.933 136 A HA -0.193 4.165 4.320 0.063 0.000 0.218 136 A C 1.122 178.674 177.584 -0.053 0.000 1.175 136 A CA 2.091 54.100 52.037 -0.047 0.000 0.628 136 A CB -0.411 18.561 19.000 -0.047 0.000 0.814 136 A HN 0.817 nan 8.150 nan 0.000 0.444 137 D N -0.489 119.871 120.400 -0.067 0.000 2.328 137 D HA -0.017 4.661 4.640 0.063 0.000 0.221 137 D C 1.604 177.848 176.300 -0.094 0.000 1.072 137 D CA 0.947 54.897 54.000 -0.083 0.000 0.850 137 D CB -0.667 40.069 40.800 -0.107 0.000 0.922 137 D HN 0.445 nan 8.370 nan 0.000 0.516 138 S N 0.537 116.200 115.700 -0.063 0.000 2.368 138 S HA -0.204 4.304 4.470 0.063 0.000 0.225 138 S C 1.932 176.539 174.600 0.012 0.000 1.030 138 S CA 0.777 58.969 58.200 -0.014 0.000 0.999 138 S CB -0.722 62.496 63.200 0.029 0.000 0.844 138 S HN 0.278 nan 8.310 nan 0.000 0.459 139 L N 1.601 122.813 121.223 -0.019 0.000 2.012 139 L HA -0.094 4.284 4.340 0.063 0.000 0.210 139 L C 2.786 179.668 176.870 0.021 0.000 1.073 139 L CA 2.396 57.227 54.840 -0.015 0.000 0.748 139 L CB -1.050 40.983 42.059 -0.044 0.000 0.891 139 L HN 0.485 nan 8.230 nan 0.000 0.431 140 Q N -0.374 119.427 119.800 0.001 0.000 2.079 140 Q HA -0.241 4.137 4.340 0.063 0.000 0.200 140 Q C 2.205 178.217 176.000 0.020 0.000 0.974 140 Q CA 1.842 57.651 55.803 0.010 0.000 0.840 140 Q CB -0.030 28.697 28.738 -0.019 0.000 0.898 140 Q HN 0.610 nan 8.270 nan 0.000 0.430 141 K N 0.072 120.460 120.400 -0.019 0.000 2.097 141 K HA -0.089 4.269 4.320 0.063 0.000 0.205 141 K C 1.810 178.513 176.600 0.172 0.000 1.050 141 K CA 1.202 57.480 56.287 -0.016 0.000 0.938 141 K CB -0.007 32.302 32.500 -0.318 0.000 0.718 141 K HN 0.219 nan 8.250 nan 0.000 0.442 142 N N 1.174 119.987 118.700 0.188 0.000 2.216 142 N HA -0.132 4.646 4.740 0.063 0.000 0.183 142 N C 1.729 177.338 175.510 0.166 0.000 1.017 142 N CA 1.092 54.257 53.050 0.193 0.000 0.861 142 N CB -0.055 38.515 38.487 0.138 0.000 0.986 142 N HN 0.270 nan 8.380 nan 0.000 0.428 143 Q N 0.376 120.265 119.800 0.148 0.000 2.079 143 Q HA -0.101 4.277 4.340 0.063 0.000 0.200 143 Q C 0.998 177.138 176.000 0.234 0.000 0.974 143 Q CA 1.097 57.013 55.803 0.188 0.000 0.840 143 Q CB 0.094 28.927 28.738 0.158 0.000 0.898 143 Q HN 0.298 nan 8.270 nan 0.000 0.430 144 D N 0.445 120.949 120.400 0.174 0.000 2.084 144 D HA -0.156 4.522 4.640 0.063 0.000 0.194 144 D C 1.902 178.323 176.300 0.202 0.000 0.990 144 D CA 0.989 55.090 54.000 0.168 0.000 0.826 144 D CB -0.266 40.595 40.800 0.102 0.000 0.971 144 D HN 0.201 nan 8.370 nan 0.000 0.453 145 L N 0.815 122.150 121.223 0.187 0.000 2.042 145 L HA -0.192 4.186 4.340 0.063 0.000 0.210 145 L C 2.491 179.455 176.870 0.158 0.000 1.076 145 L CA 1.231 56.170 54.840 0.166 0.000 0.749 145 L CB -0.457 41.700 42.059 0.163 0.000 0.893 145 L HN 0.129 nan 8.230 nan 0.000 0.432 146 E N 0.269 120.583 120.200 0.190 0.000 2.049 146 E HA -0.291 4.097 4.350 0.063 0.000 0.198 146 E C 2.199 178.892 176.600 0.155 0.000 1.007 146 E CA 1.781 58.293 56.400 0.187 0.000 0.809 146 E CB -0.183 29.676 29.700 0.264 0.000 0.749 146 E HN 0.351 nan 8.360 nan 0.000 0.450 147 F N 1.367 121.422 119.950 0.174 0.000 2.186 147 F HA -0.098 4.466 4.527 0.063 0.000 0.299 147 F C 2.253 178.061 175.800 0.013 0.000 1.090 147 F CA 1.558 59.659 58.000 0.168 0.000 1.307 147 F CB 0.083 39.230 39.000 0.246 0.000 1.019 147 F HN 0.094 nan 8.300 nan 0.000 0.489 148 E N -0.513 119.826 120.200 0.231 0.000 2.106 148 E HA -0.185 4.203 4.350 0.063 0.000 0.192 148 E C 2.221 178.844 176.600 0.039 0.000 0.984 148 E CA 0.937 57.418 56.400 0.135 0.000 0.806 148 E CB -0.131 29.644 29.700 0.124 0.000 0.750 148 E HN 0.402 nan 8.360 nan 0.000 0.458 149 R N 0.321 120.823 120.500 0.003 0.000 2.153 149 R HA 0.061 4.439 4.340 0.063 0.000 0.218 149 R C 1.096 177.278 176.300 -0.197 0.000 1.072 149 R CA 0.659 56.738 56.100 -0.035 0.000 0.990 149 R CB 0.138 30.445 30.300 0.010 0.000 0.889 149 R HN 0.106 nan 8.270 nan 0.000 0.452 150 N N 0.124 118.577 118.700 -0.411 0.000 2.197 150 N HA 0.050 4.828 4.740 0.063 0.000 0.228 150 N C 0.880 175.814 175.510 -0.960 0.000 1.212 150 N CA -0.080 52.494 53.050 -0.794 0.000 0.883 150 N CB 0.791 38.608 38.487 -1.116 0.000 1.107 150 N HN 0.129 nan 8.380 nan 0.000 0.519 151 R N 1.812 122.001 120.500 -0.519 0.000 2.096 151 R HA -0.172 4.206 4.340 0.063 0.000 0.240 151 R C 1.875 178.079 176.300 -0.160 0.000 1.139 151 R CA 1.715 57.666 56.100 -0.248 0.000 0.952 151 R CB 0.076 30.384 30.300 0.013 0.000 0.854 151 R HN 0.264 nan 8.270 nan 0.000 0.436 152 E N 0.014 120.093 120.200 -0.201 0.000 2.051 152 E HA -0.235 4.153 4.350 0.063 0.000 0.192 152 E C 2.105 178.703 176.600 -0.003 0.000 0.991 152 E CA 1.337 57.692 56.400 -0.074 0.000 0.799 152 E CB 0.052 29.698 29.700 -0.089 0.000 0.748 152 E HN 0.336 nan 8.360 nan 0.000 0.449 153 R N -0.520 119.876 120.500 -0.172 0.000 2.091 153 R HA -0.161 4.217 4.340 0.063 0.000 0.238 153 R C 2.333 178.861 176.300 0.380 0.000 1.136 153 R CA 1.675 57.816 56.100 0.070 0.000 0.959 153 R CB -0.363 29.902 30.300 -0.060 0.000 0.856 153 R HN 0.238 nan 8.270 nan 0.000 0.437 154 F N 1.312 121.313 119.950 0.085 0.000 2.134 154 F HA -0.118 4.447 4.527 0.064 0.000 0.299 154 F C 2.119 177.998 175.800 0.132 0.000 1.097 154 F CA 1.093 59.200 58.000 0.178 0.000 1.264 154 F CB -0.890 38.122 39.000 0.019 0.000 1.001 154 F HN 0.085 nan 8.300 nan 0.000 0.479 155 E N -0.740 119.628 120.200 0.280 0.000 2.106 155 E HA -0.227 4.161 4.350 0.063 0.000 0.192 155 E C 2.058 178.839 176.600 0.302 0.000 0.984 155 E CA 1.149 57.661 56.400 0.186 0.000 0.806 155 E CB -0.504 29.297 29.700 0.168 0.000 0.750 155 E HN 0.328 nan 8.360 nan 0.000 0.458 156 F N 1.392 121.476 119.950 0.223 0.000 2.146 156 F HA -0.121 4.444 4.527 0.063 0.000 0.298 156 F C 1.835 177.856 175.800 0.369 0.000 1.096 156 F CA 1.212 59.371 58.000 0.265 0.000 1.275 156 F CB -0.055 39.029 39.000 0.140 0.000 1.008 156 F HN -0.091 nan 8.300 nan 0.000 0.480 157 L N 0.124 121.557 121.223 0.351 0.000 2.056 157 L HA -0.220 4.157 4.340 0.063 0.000 0.207 157 L C 2.579 179.597 176.870 0.247 0.000 1.078 157 L CA 1.638 56.639 54.840 0.267 0.000 0.749 157 L CB -0.735 41.572 42.059 0.413 0.000 0.901 157 L HN 0.096 nan 8.230 nan 0.000 0.433 158 K N -0.361 120.191 120.400 0.254 0.000 2.057 158 K HA -0.266 4.092 4.320 0.063 0.000 0.207 158 K C 2.113 178.778 176.600 0.110 0.000 1.049 158 K CA 1.853 58.200 56.287 0.099 0.000 0.931 158 K CB -0.307 31.956 32.500 -0.395 0.000 0.714 158 K HN 0.308 nan 8.250 nan 0.000 0.440 159 W N 1.002 122.285 121.300 -0.028 0.000 2.354 159 W HA -0.118 4.581 4.660 0.064 0.000 0.315 159 W C 1.790 178.297 176.519 -0.019 0.000 1.206 159 W CA 2.230 59.564 57.345 -0.018 0.000 1.290 159 W CB -0.927 28.551 29.460 0.030 0.000 1.152 159 W HN 0.150 nan 8.180 nan 0.000 0.489 160 G N 0.247 108.916 108.800 -0.219 0.000 2.556 160 G HA2 -0.450 3.548 3.960 0.063 0.000 0.220 160 G HA3 -0.450 3.548 3.960 0.063 0.000 0.220 160 G C 1.592 176.413 174.900 -0.131 0.000 1.156 160 G CA 2.297 47.205 45.100 -0.320 0.000 0.766 160 G HN 0.469 nan 8.290 nan 0.000 0.583 161 S N -0.568 115.115 115.700 -0.029 0.000 2.474 161 S HA -0.013 4.495 4.470 0.063 0.000 0.235 161 S C 2.079 176.667 174.600 -0.020 0.000 0.997 161 S CA 1.523 59.749 58.200 0.043 0.000 0.949 161 S CB -0.065 63.222 63.200 0.145 0.000 0.766 161 S HN 0.574 nan 8.310 nan 0.000 0.517 162 Q N 0.096 119.808 119.800 -0.147 0.000 2.394 162 Q HA 0.428 4.806 4.340 0.063 0.000 0.218 162 Q C 2.237 178.039 176.000 -0.330 0.000 0.907 162 Q CA 0.714 56.413 55.803 -0.172 0.000 0.919 162 Q CB -0.068 28.596 28.738 -0.124 0.000 1.051 162 Q HN 0.689 nan 8.270 nan 0.000 0.538 163 A N -0.205 122.206 122.820 -0.682 0.000 2.132 163 A HA 0.156 4.514 4.320 0.063 0.000 0.213 163 A C 0.054 176.993 177.584 -1.075 0.000 1.154 163 A CA 0.381 51.834 52.037 -0.973 0.000 0.753 163 A CB 0.247 18.194 19.000 -1.756 0.000 0.826 163 A HN 0.183 nan 8.150 nan 0.000 0.469 164 F N -0.496 119.201 119.950 -0.423 0.000 2.520 164 F HA 0.426 4.991 4.527 0.063 0.000 0.322 164 F C 0.473 176.162 175.800 -0.185 0.000 1.103 164 F CA -0.898 56.887 58.000 -0.359 0.000 0.926 164 F CB 1.061 39.896 39.000 -0.275 0.000 1.154 164 F HN 0.148 nan 8.300 nan 0.000 0.453 165 H N 1.965 121.058 119.070 0.039 0.000 2.757 165 H HA 0.133 4.727 4.556 0.063 0.000 0.370 165 H C 0.230 175.591 175.328 0.055 0.000 1.172 165 H CA -0.059 56.000 56.048 0.019 0.000 1.426 165 H CB 0.352 30.113 29.762 -0.002 0.000 1.438 165 H HN 0.597 nan 8.280 nan 0.000 0.612 166 N N 0.272 119.085 118.700 0.188 0.000 2.782 166 N HA -0.174 4.604 4.740 0.063 0.000 0.251 166 N C -1.052 174.531 175.510 0.123 0.000 1.101 166 N CA 0.960 54.090 53.050 0.134 0.000 0.764 166 N CB -0.776 37.790 38.487 0.131 0.000 1.122 166 N HN 0.597 nan 8.380 nan 0.000 0.561 167 M N 0.673 120.347 119.600 0.123 0.000 2.101 167 M HA 0.276 4.794 4.480 0.063 0.000 0.340 167 M C 0.522 176.886 176.300 0.108 0.000 1.057 167 M CA -0.352 55.017 55.300 0.115 0.000 0.984 167 M CB 2.441 35.115 32.600 0.123 0.000 1.560 167 M HN 0.018 nan 8.290 nan 0.000 0.435 168 R N 3.861 124.421 120.500 0.100 0.000 2.393 168 R HA 0.723 5.101 4.340 0.063 0.000 0.310 168 R C -1.463 174.891 176.300 0.090 0.000 0.968 168 R CA -0.434 55.726 56.100 0.101 0.000 0.867 168 R CB 1.303 31.658 30.300 0.092 0.000 1.124 168 R HN 0.777 nan 8.270 nan 0.000 0.450 169 I N 5.334 125.960 120.570 0.093 0.000 2.412 169 I HA 0.299 4.507 4.170 0.063 0.000 0.296 169 I C -0.260 175.802 176.117 -0.092 0.000 0.987 169 I CA -1.136 60.172 61.300 0.013 0.000 1.180 169 I CB 1.864 39.908 38.000 0.073 0.000 1.340 169 I HN 0.505 nan 8.210 nan 0.000 0.455 170 I N 8.111 128.595 120.570 -0.143 0.000 2.312 170 I HA 0.317 4.525 4.170 0.063 0.000 0.290 170 I C -2.014 173.863 176.117 -0.399 0.000 1.008 170 I CA -2.763 58.427 61.300 -0.182 0.000 1.226 170 I CB 0.580 38.550 38.000 -0.050 0.000 1.371 170 I HN 0.206 nan 8.210 nan 0.000 0.468 171 P HA 0.260 nan 4.420 nan 0.000 0.273 171 P C -2.701 174.292 177.300 -0.511 0.000 1.250 171 P CA -1.583 60.976 63.100 -0.901 0.000 0.793 171 P CB -0.468 30.702 31.700 -0.883 0.000 1.011 172 P HA 0.043 nan 4.420 nan 0.000 0.266 172 P C 0.900 178.162 177.300 -0.064 0.000 1.193 172 P CA 1.434 64.406 63.100 -0.213 0.000 0.770 172 P CB -0.282 31.342 31.700 -0.127 0.000 0.836 173 G N 1.345 110.150 108.800 0.007 0.000 2.132 173 G HA2 -0.240 3.758 3.960 0.063 0.000 0.234 173 G HA3 -0.240 3.758 3.960 0.063 0.000 0.234 173 G C 0.770 175.634 174.900 -0.061 0.000 0.989 173 G CA 0.368 45.506 45.100 0.062 0.000 0.676 173 G HN 0.475 nan 8.290 nan 0.000 0.522 174 S N -0.654 114.987 115.700 -0.099 0.000 2.505 174 S HA 0.566 5.074 4.470 0.063 0.000 0.216 174 S C 1.370 175.892 174.600 -0.130 0.000 1.018 174 S CA 1.116 59.205 58.200 -0.185 0.000 0.911 174 S CB 1.033 64.136 63.200 -0.162 0.000 0.818 174 S HN 2.258 nan 8.310 nan 0.000 0.497 175 G N 1.269 110.070 108.800 0.002 0.000 2.318 175 G HA2 0.009 4.007 3.960 0.063 0.000 0.367 175 G HA3 0.009 4.007 3.960 0.063 0.000 0.367 175 G C -1.458 173.469 174.900 0.046 0.000 1.260 175 G CA -0.978 44.165 45.100 0.071 0.000 1.055 175 G HN 0.208 nan 8.290 nan 0.000 0.484 176 I N 1.052 121.656 120.570 0.057 0.000 2.493 176 I HA 0.399 4.607 4.170 0.063 0.000 0.298 176 I C 1.903 178.027 176.117 0.011 0.000 0.998 176 I CA -0.754 60.554 61.300 0.014 0.000 1.137 176 I CB 1.839 39.846 38.000 0.013 0.000 1.310 176 I HN 0.752 nan 8.210 nan 0.000 0.445 177 I N 4.677 125.207 120.570 -0.066 0.000 2.130 177 I HA -0.429 3.779 4.170 0.063 0.000 0.241 177 I C 2.242 178.318 176.117 -0.068 0.000 1.023 177 I CA 2.142 63.366 61.300 -0.127 0.000 1.293 177 I CB -0.045 37.786 38.000 -0.281 0.000 1.001 177 I HN 0.699 nan 8.210 nan 0.000 0.407 178 H N -0.281 118.868 119.070 0.132 0.000 2.462 178 H HA -0.137 4.456 4.556 0.063 0.000 0.292 178 H C 2.023 177.428 175.328 0.128 0.000 1.049 178 H CA 1.594 57.718 56.048 0.126 0.000 1.334 178 H CB -0.310 29.526 29.762 0.124 0.000 1.404 178 H HN 0.605 nan 8.280 nan 0.000 0.544 179 Q N 0.770 120.700 119.800 0.217 0.000 2.163 179 Q HA -0.036 4.342 4.340 0.063 0.000 0.198 179 Q C 2.137 178.284 176.000 0.245 0.000 0.954 179 Q CA 0.673 56.610 55.803 0.223 0.000 0.851 179 Q CB 0.310 29.168 28.738 0.201 0.000 0.928 179 Q HN 0.117 nan 8.270 nan 0.000 0.459 180 V N 1.872 121.919 119.914 0.222 0.000 2.515 180 V HA -0.220 3.938 4.120 0.063 0.000 0.250 180 V C 2.148 178.355 176.094 0.188 0.000 1.058 180 V CA 1.740 64.189 62.300 0.247 0.000 1.064 180 V CB -0.807 31.158 31.823 0.236 0.000 0.675 180 V HN 0.455 nan 8.190 nan 0.000 0.461 181 N N 0.587 119.390 118.700 0.172 0.000 2.058 181 N HA -0.140 4.638 4.740 0.063 0.000 0.191 181 N C 1.707 177.297 175.510 0.133 0.000 1.037 181 N CA 1.734 54.872 53.050 0.147 0.000 0.848 181 N CB -0.343 38.256 38.487 0.186 0.000 1.021 181 N HN 0.421 nan 8.380 nan 0.000 0.422 182 L N 0.451 121.777 121.223 0.171 0.000 2.017 182 L HA -0.106 4.272 4.340 0.063 0.000 0.208 182 L C 1.979 178.992 176.870 0.239 0.000 1.073 182 L CA 1.331 56.286 54.840 0.192 0.000 0.745 182 L CB -0.277 41.895 42.059 0.189 0.000 0.894 182 L HN 0.274 nan 8.230 nan 0.000 0.432 183 E N -2.331 117.994 120.200 0.208 0.000 2.318 183 E HA -0.137 4.251 4.350 0.063 0.000 0.193 183 E C 1.009 177.537 176.600 -0.120 0.000 0.998 183 E CA 0.731 57.205 56.400 0.123 0.000 0.859 183 E CB 0.382 30.305 29.700 0.370 0.000 0.812 183 E HN 0.472 nan 8.360 nan 0.000 0.492 184 Y N -0.769 119.335 120.300 -0.328 0.000 3.006 184 Y HA 0.199 4.787 4.550 0.064 0.000 0.236 184 Y C 1.366 177.142 175.900 -0.207 0.000 1.088 184 Y CA -0.013 57.813 58.100 -0.457 0.000 1.307 184 Y CB 0.118 38.047 38.460 -0.884 0.000 1.445 184 Y HN -0.169 nan 8.280 nan 0.000 0.433 185 L N 1.408 122.527 121.223 -0.174 0.000 2.217 185 L HA 0.196 4.574 4.340 0.063 0.000 0.211 185 L C 1.157 177.933 176.870 -0.155 0.000 1.107 185 L CA 0.493 55.200 54.840 -0.223 0.000 0.783 185 L CB -0.626 41.421 42.059 -0.019 0.000 0.919 185 L HN 0.249 nan 8.230 nan 0.000 0.442 186 A N 0.020 122.796 122.820 -0.074 0.000 2.488 186 A HA 0.174 4.532 4.320 0.063 0.000 0.249 186 A C 0.942 178.476 177.584 -0.084 0.000 1.083 186 A CA -0.176 51.850 52.037 -0.019 0.000 0.768 186 A CB 0.375 19.403 19.000 0.047 0.000 1.017 186 A HN 0.182 nan 8.150 nan 0.000 0.496 187 R N 1.405 121.853 120.500 -0.086 0.000 2.112 187 R HA 0.190 4.568 4.340 0.063 0.000 0.216 187 R C 1.408 177.689 176.300 -0.031 0.000 1.080 187 R CA 1.396 57.395 56.100 -0.168 0.000 0.996 187 R CB -0.409 29.616 30.300 -0.458 0.000 0.902 187 R HN 0.840 nan 8.270 nan 0.000 0.449 188 V N -2.158 117.805 119.914 0.082 0.000 0.489 188 V HA -0.309 3.849 4.120 0.063 0.000 0.092 188 V C 0.140 176.370 176.094 0.227 0.000 2.367 188 V CA 1.820 64.214 62.300 0.157 0.000 3.630 188 V CB -1.236 30.658 31.823 0.119 0.000 0.914 188 V HN 0.085 nan 8.190 nan 0.000 0.957 189 V N 0.597 120.620 119.914 0.182 0.000 2.577 189 V HA 0.637 4.795 4.120 0.063 0.000 0.303 189 V C -0.559 175.606 176.094 0.118 0.000 1.042 189 V CA -0.454 61.974 62.300 0.213 0.000 0.872 189 V CB 1.640 33.621 31.823 0.263 0.000 0.998 189 V HN 0.298 nan 8.190 nan 0.000 0.423 190 F N 2.815 122.629 119.950 -0.227 0.000 2.418 190 F HA 0.434 4.997 4.527 0.060 0.000 0.341 190 F C 0.569 176.136 175.800 -0.387 0.000 1.120 190 F CA -0.052 57.691 58.000 -0.427 0.000 1.232 190 F CB 0.941 39.308 39.000 -1.056 0.000 1.175 190 F HN 0.514 nan 8.300 nan 0.000 0.569 191 D N 2.894 123.208 120.400 -0.143 0.000 2.378 191 D HA 0.183 4.861 4.640 0.063 0.000 0.265 191 D C -1.380 174.848 176.300 -0.120 0.000 1.229 191 D CA -0.416 53.438 54.000 -0.242 0.000 0.914 191 D CB 0.443 41.072 40.800 -0.286 0.000 1.140 191 D HN 0.378 nan 8.370 nan 0.000 0.516 192 Q N 2.000 121.789 119.800 -0.020 0.000 2.321 192 Q HA 0.409 4.787 4.340 0.063 0.000 0.270 192 Q C -0.654 175.440 176.000 0.157 0.000 1.032 192 Q CA -0.341 55.542 55.803 0.133 0.000 0.784 192 Q CB 1.270 30.201 28.738 0.321 0.000 1.264 192 Q HN 0.273 nan 8.270 nan 0.000 0.448 193 D N 3.528 123.991 120.400 0.104 0.000 2.782 193 D HA -0.216 4.462 4.640 0.063 0.000 0.231 193 D C 0.486 176.890 176.300 0.175 0.000 1.163 193 D CA 2.173 56.249 54.000 0.126 0.000 0.680 193 D CB -1.095 39.794 40.800 0.150 0.000 1.062 193 D HN 1.031 nan 8.370 nan 0.000 0.425 194 G N -1.897 106.900 108.800 -0.005 0.000 2.141 194 G HA2 -0.289 3.709 3.960 0.063 0.000 0.231 194 G HA3 -0.289 3.709 3.960 0.063 0.000 0.231 194 G C -0.257 174.299 174.900 -0.572 0.000 0.984 194 G CA -0.025 44.920 45.100 -0.258 0.000 0.660 194 G HN 0.395 nan 8.290 nan 0.000 0.525 195 Y N -0.599 119.598 120.300 -0.173 0.000 2.386 195 Y HA 0.635 5.224 4.550 0.065 0.000 0.334 195 Y C -0.041 175.779 175.900 -0.133 0.000 1.002 195 Y CA -1.656 56.404 58.100 -0.067 0.000 1.068 195 Y CB 1.148 39.721 38.460 0.189 0.000 1.203 195 Y HN 0.146 nan 8.280 nan 0.000 0.443 196 Y N 3.473 123.802 120.300 0.049 0.000 2.299 196 Y HA 0.473 5.061 4.550 0.063 0.000 0.326 196 Y C -0.241 175.565 175.900 -0.157 0.000 1.164 196 Y CA -0.936 57.000 58.100 -0.272 0.000 1.234 196 Y CB 0.573 38.696 38.460 -0.561 0.000 1.219 196 Y HN 0.554 nan 8.280 nan 0.000 0.497 197 Y N -0.228 120.018 120.300 -0.091 0.000 2.656 197 Y HA 0.667 5.253 4.550 0.060 0.000 0.334 197 Y C -3.422 172.569 175.900 0.151 0.000 1.179 197 Y CA -3.748 54.357 58.100 0.009 0.000 1.050 197 Y CB 0.740 39.289 38.460 0.149 0.000 1.308 197 Y HN 0.257 nan 8.280 nan 0.000 0.456 198 P HA 0.036 nan 4.420 nan 0.000 0.268 198 P C -0.581 176.990 177.300 0.451 0.000 1.204 198 P CA 0.248 63.633 63.100 0.476 0.000 0.768 198 P CB 0.579 32.567 31.700 0.481 0.000 0.842 199 D N 1.868 122.539 120.400 0.451 0.000 2.458 199 D HA 0.211 4.889 4.640 0.063 0.000 0.243 199 D C -0.340 176.164 176.300 0.340 0.000 1.146 199 D CA 0.793 55.081 54.000 0.479 0.000 0.877 199 D CB 0.191 41.236 40.800 0.409 0.000 1.176 199 D HN 0.370 nan 8.370 nan 0.000 0.461 200 S N 2.165 118.015 115.700 0.250 0.000 2.588 200 S HA 0.784 5.292 4.470 0.063 0.000 0.269 200 S C -0.894 173.737 174.600 0.051 0.000 1.157 200 S CA -0.909 57.405 58.200 0.190 0.000 0.824 200 S CB 1.058 64.437 63.200 0.298 0.000 1.126 200 S HN 0.653 nan 8.310 nan 0.000 0.464 201 L N -1.317 119.877 121.223 -0.049 0.000 2.940 201 L HA 0.961 5.339 4.340 0.063 0.000 0.270 201 L C -1.213 175.471 176.870 -0.311 0.000 1.030 201 L CA -1.248 53.509 54.840 -0.139 0.000 0.928 201 L CB 1.278 43.332 42.059 -0.009 0.000 1.506 201 L HN 1.026 nan 8.230 nan 0.000 0.405 202 V N -2.041 117.712 119.914 -0.269 0.000 2.864 202 V HA 1.085 5.242 4.120 0.063 0.000 0.314 202 V C 0.002 176.055 176.094 -0.069 0.000 1.073 202 V CA 0.264 62.408 62.300 -0.260 0.000 0.956 202 V CB 1.302 32.960 31.823 -0.275 0.000 1.023 202 V HN 1.227 nan 8.190 nan 0.000 0.435 203 G N 0.532 109.337 108.800 0.008 0.000 2.612 203 G HA2 0.582 4.580 3.960 0.063 0.000 0.298 203 G HA3 0.582 4.580 3.960 0.063 0.000 0.298 203 G C -0.164 174.791 174.900 0.092 0.000 1.336 203 G CA -0.067 45.080 45.100 0.077 0.000 0.953 203 G HN 1.364 nan 8.290 nan 0.000 0.482 204 T N -0.785 113.817 114.554 0.078 0.000 3.783 204 T HA 0.448 4.836 4.350 0.063 0.000 0.262 204 T C -0.387 174.373 174.700 0.100 0.000 1.381 204 T CA -0.478 61.663 62.100 0.068 0.000 1.155 204 T CB -0.135 68.750 68.868 0.029 0.000 1.256 204 T HN 0.490 nan 8.240 nan 0.000 0.807 205 D N 0.835 121.324 120.400 0.148 0.000 2.711 205 D HA 0.046 4.724 4.640 0.063 0.000 0.204 205 D C 0.898 177.307 176.300 0.181 0.000 1.257 205 D CA -0.143 53.978 54.000 0.202 0.000 0.808 205 D CB 1.885 42.866 40.800 0.301 0.000 1.780 205 D HN 0.302 nan 8.370 nan 0.000 0.537 206 S N 2.267 118.015 115.700 0.080 0.000 2.442 206 S HA -0.181 4.327 4.470 0.063 0.000 0.236 206 S C 1.102 175.587 174.600 -0.191 0.000 1.007 206 S CA 1.098 59.256 58.200 -0.070 0.000 0.965 206 S CB -0.436 62.656 63.200 -0.180 0.000 0.773 206 S HN 0.616 nan 8.310 nan 0.000 0.504 207 H N 0.763 119.896 119.070 0.106 0.000 2.536 207 H HA 0.287 4.880 4.556 0.063 0.000 0.276 207 H C 1.574 176.567 175.328 -0.559 0.000 1.019 207 H CA 0.601 56.572 56.048 -0.128 0.000 1.159 207 H CB -0.169 29.565 29.762 -0.047 0.000 1.373 207 H HN 0.343 nan 8.280 nan 0.000 0.584 208 T N -0.279 114.187 114.554 -0.146 0.000 2.849 208 T HA -0.201 4.187 4.350 0.063 0.000 0.270 208 T C 2.268 176.951 174.700 -0.028 0.000 1.066 208 T CA 1.791 63.864 62.100 -0.044 0.000 1.130 208 T CB -0.349 68.621 68.868 0.170 0.000 0.864 208 T HN 0.677 nan 8.240 nan 0.000 0.481 209 T N 0.521 115.092 114.554 0.028 0.000 2.996 209 T HA -0.102 4.286 4.350 0.063 0.000 0.271 209 T C 1.796 176.538 174.700 0.070 0.000 1.126 209 T CA 0.951 63.115 62.100 0.106 0.000 1.103 209 T CB -0.637 68.300 68.868 0.114 0.000 0.870 209 T HN 0.357 nan 8.240 nan 0.000 0.528 210 M N 0.060 119.637 119.600 -0.040 0.000 2.202 210 M HA -0.030 4.488 4.480 0.063 0.000 0.262 210 M C 2.004 178.312 176.300 0.013 0.000 1.063 210 M CA 1.477 56.760 55.300 -0.029 0.000 1.097 210 M CB -0.356 32.190 32.600 -0.091 0.000 1.382 210 M HN 0.302 nan 8.290 nan 0.000 0.413 211 I N 1.102 121.702 120.570 0.050 0.000 2.614 211 I HA -0.254 3.954 4.170 0.063 0.000 0.258 211 I C 1.090 177.264 176.117 0.095 0.000 1.189 211 I CA 1.500 62.848 61.300 0.080 0.000 1.462 211 I CB -0.508 37.566 38.000 0.124 0.000 1.092 211 I HN 0.291 nan 8.210 nan 0.000 0.442 212 D N 0.260 120.750 120.400 0.150 0.000 2.263 212 D HA -0.106 4.572 4.640 0.063 0.000 0.208 212 D C 2.237 178.600 176.300 0.105 0.000 0.971 212 D CA 1.175 55.309 54.000 0.224 0.000 0.867 212 D CB -0.621 40.391 40.800 0.352 0.000 0.929 212 D HN 0.474 nan 8.370 nan 0.000 0.492 213 G N 0.336 109.139 108.800 0.005 0.000 2.471 213 G HA2 -0.171 3.827 3.960 0.063 0.000 0.219 213 G HA3 -0.171 3.827 3.960 0.063 0.000 0.219 213 G C 1.261 175.993 174.900 -0.280 0.000 1.125 213 G CA 0.110 45.060 45.100 -0.249 0.000 0.775 213 G HN 0.264 nan 8.290 nan 0.000 0.548 214 L N 0.314 121.440 121.223 -0.162 0.000 2.628 214 L HA 0.439 4.817 4.340 0.063 0.000 0.229 214 L C 1.656 178.483 176.870 -0.072 0.000 1.137 214 L CA 0.737 55.489 54.840 -0.146 0.000 0.909 214 L CB -0.085 41.913 42.059 -0.101 0.000 1.137 214 L HN 0.311 nan 8.230 nan 0.000 0.470 215 G N 0.602 109.318 108.800 -0.139 0.000 2.137 215 G HA2 -0.271 3.727 3.960 0.063 0.000 0.237 215 G HA3 -0.271 3.727 3.960 0.063 0.000 0.237 215 G C 0.182 175.188 174.900 0.177 0.000 1.002 215 G CA 0.382 45.350 45.100 -0.220 0.000 0.702 215 G HN 0.332 nan 8.290 nan 0.000 0.515 216 I N 0.544 121.268 120.570 0.257 0.000 2.330 216 I HA 0.373 4.581 4.170 0.063 0.000 0.289 216 I C 0.403 176.804 176.117 0.473 0.000 1.001 216 I CA -1.078 60.443 61.300 0.368 0.000 1.193 216 I CB 1.535 39.677 38.000 0.237 0.000 1.345 216 I HN 0.065 nan 8.210 nan 0.000 0.461 217 L N 7.434 128.941 121.223 0.473 0.000 2.515 217 L HA 0.537 4.915 4.340 0.063 0.000 0.281 217 L C 0.334 177.305 176.870 0.168 0.000 1.131 217 L CA 0.597 55.607 54.840 0.283 0.000 0.905 217 L CB -0.362 41.698 42.059 0.003 0.000 1.246 217 L HN 0.650 nan 8.230 nan 0.000 0.463 218 G N 3.853 112.764 108.800 0.186 0.000 2.667 218 G HA2 0.649 4.647 3.960 0.063 0.000 0.298 218 G HA3 0.649 4.647 3.960 0.063 0.000 0.298 218 G C -2.063 172.953 174.900 0.192 0.000 1.377 218 G CA -0.470 44.651 45.100 0.035 0.000 0.964 218 G HN 0.715 nan 8.290 nan 0.000 0.493 219 W N 0.270 121.639 121.300 0.114 0.000 2.988 219 W HA 0.779 5.477 4.660 0.062 0.000 0.355 219 W C 0.073 176.646 176.519 0.089 0.000 1.233 219 W CA -1.542 55.853 57.345 0.083 0.000 1.176 219 W CB 0.760 30.266 29.460 0.077 0.000 1.477 219 W HN 0.900 nan 8.180 nan 0.000 0.582 220 G N 0.754 109.790 108.800 0.393 0.000 2.420 220 G HA2 0.619 4.617 3.960 0.063 0.000 0.284 220 G HA3 0.619 4.617 3.960 0.063 0.000 0.284 220 G C -0.959 174.131 174.900 0.317 0.000 1.177 220 G CA -0.177 45.076 45.100 0.255 0.000 0.841 220 G HN 1.496 nan 8.290 nan 0.000 0.527 221 V N -0.592 119.443 119.914 0.202 0.000 3.147 221 V HA 0.932 5.090 4.120 0.063 0.000 0.306 221 V C 0.558 176.709 176.094 0.096 0.000 1.209 221 V CA -0.497 61.910 62.300 0.177 0.000 1.023 221 V CB 1.283 33.213 31.823 0.178 0.000 1.059 221 V HN 1.197 nan 8.190 nan 0.000 0.435 222 G N 0.674 109.513 108.800 0.065 0.000 2.614 222 G HA2 0.422 4.420 3.960 0.063 0.000 0.239 222 G HA3 0.422 4.420 3.960 0.063 0.000 0.239 222 G C 1.040 175.925 174.900 -0.025 0.000 1.240 222 G CA 0.099 45.207 45.100 0.013 0.000 0.842 222 G HN 1.678 nan 8.290 nan 0.000 0.584 223 G N 0.795 109.560 108.800 -0.058 0.000 2.440 223 G HA2 -0.254 3.744 3.960 0.063 0.000 0.218 223 G HA3 -0.254 3.744 3.960 0.063 0.000 0.218 223 G C 1.739 176.554 174.900 -0.142 0.000 1.154 223 G CA 1.303 46.343 45.100 -0.101 0.000 0.767 223 G HN 0.903 nan 8.290 nan 0.000 0.552 224 I N -1.120 119.352 120.570 -0.163 0.000 2.335 224 I HA -0.068 4.140 4.170 0.063 0.000 0.251 224 I C 2.321 178.361 176.117 -0.127 0.000 1.129 224 I CA 2.285 63.480 61.300 -0.174 0.000 1.402 224 I CB -0.385 37.474 38.000 -0.234 0.000 1.069 224 I HN 0.309 nan 8.210 nan 0.000 0.424 225 E N 1.853 122.003 120.200 -0.084 0.000 2.046 225 E HA -0.163 4.225 4.350 0.063 0.000 0.190 225 E C 2.356 178.944 176.600 -0.020 0.000 0.982 225 E CA 1.251 57.631 56.400 -0.033 0.000 0.800 225 E CB -0.113 29.608 29.700 0.034 0.000 0.756 225 E HN 0.588 nan 8.360 nan 0.000 0.449 226 A N 1.020 123.822 122.820 -0.031 0.000 1.908 226 A HA -0.256 4.102 4.320 0.063 0.000 0.218 226 A C 1.910 179.470 177.584 -0.040 0.000 1.181 226 A CA 1.854 53.869 52.037 -0.037 0.000 0.627 226 A CB -0.607 18.366 19.000 -0.046 0.000 0.818 226 A HN 0.349 nan 8.150 nan 0.000 0.445 227 E N -0.217 119.923 120.200 -0.100 0.000 2.058 227 E HA -0.138 4.250 4.350 0.063 0.000 0.194 227 E C 2.324 178.997 176.600 0.123 0.000 0.997 227 E CA 1.285 57.645 56.400 -0.068 0.000 0.801 227 E CB -0.345 29.213 29.700 -0.236 0.000 0.746 227 E HN 0.625 nan 8.360 nan 0.000 0.450 228 A N 0.660 123.504 122.820 0.039 0.000 1.908 228 A HA -0.171 4.187 4.320 0.063 0.000 0.218 228 A C 2.495 180.115 177.584 0.060 0.000 1.181 228 A CA 1.371 53.437 52.037 0.049 0.000 0.627 228 A CB -0.695 18.302 19.000 -0.006 0.000 0.818 228 A HN 0.141 nan 8.150 nan 0.000 0.445 229 V N -0.140 119.795 119.914 0.036 0.000 2.307 229 V HA -0.308 3.850 4.120 0.063 0.000 0.245 229 V C 2.619 178.724 176.094 0.018 0.000 1.045 229 V CA 2.185 64.488 62.300 0.005 0.000 1.024 229 V CB -0.682 31.118 31.823 -0.038 0.000 0.651 229 V HN 0.578 nan 8.190 nan 0.000 0.449 230 M N -0.686 118.955 119.600 0.068 0.000 2.202 230 M HA -0.167 4.351 4.480 0.063 0.000 0.262 230 M C 1.797 178.145 176.300 0.080 0.000 1.063 230 M CA 1.758 57.123 55.300 0.107 0.000 1.097 230 M CB -0.343 32.406 32.600 0.249 0.000 1.382 230 M HN 0.291 nan 8.290 nan 0.000 0.413 231 L N -0.999 120.274 121.223 0.084 0.000 2.591 231 L HA 0.148 4.526 4.340 0.063 0.000 0.228 231 L C 1.343 178.226 176.870 0.021 0.000 1.133 231 L CA 0.313 55.170 54.840 0.029 0.000 0.880 231 L CB -0.310 41.768 42.059 0.032 0.000 1.033 231 L HN 0.598 nan 8.230 nan 0.000 0.450 232 G N -0.163 108.649 108.800 0.020 0.000 2.179 232 G HA2 -0.277 3.721 3.960 0.063 0.000 0.220 232 G HA3 -0.277 3.721 3.960 0.063 0.000 0.220 232 G C 0.171 175.083 174.900 0.021 0.000 0.990 232 G CA -0.204 44.901 45.100 0.010 0.000 0.646 232 G HN 0.337 nan 8.290 nan 0.000 0.517 233 Q N 1.673 121.500 119.800 0.046 0.000 2.296 233 Q HA 0.554 4.931 4.340 0.063 0.000 0.262 233 Q C -2.213 173.814 176.000 0.045 0.000 0.981 233 Q CA -1.657 54.194 55.803 0.081 0.000 0.905 233 Q CB 0.833 29.660 28.738 0.149 0.000 1.186 233 Q HN 0.270 nan 8.270 nan 0.000 0.399 234 P HA 0.011 nan 4.420 nan 0.000 0.269 234 P C -0.612 176.732 177.300 0.073 0.000 1.209 234 P CA 0.122 63.231 63.100 0.015 0.000 0.776 234 P CB 0.473 32.182 31.700 0.015 0.000 0.876 235 I N 0.961 121.581 120.570 0.082 0.000 2.692 235 I HA 0.034 4.242 4.170 0.063 0.000 0.284 235 I C 0.972 177.205 176.117 0.193 0.000 1.159 235 I CA 0.688 62.100 61.300 0.187 0.000 1.423 235 I CB 0.367 38.549 38.000 0.304 0.000 1.380 235 I HN 0.258 nan 8.210 nan 0.000 0.580 236 S N 8.141 123.944 115.700 0.171 0.000 2.456 236 S HA 0.778 5.286 4.470 0.063 0.000 0.316 236 S C -0.550 174.115 174.600 0.108 0.000 1.089 236 S CA -0.817 57.442 58.200 0.099 0.000 1.101 236 S CB 0.403 63.610 63.200 0.011 0.000 0.995 236 S HN 0.552 nan 8.310 nan 0.000 0.468 237 M N 3.157 122.810 119.600 0.088 0.000 2.470 237 M HA 0.591 5.109 4.480 0.063 0.000 0.285 237 M C -1.539 174.759 176.300 -0.003 0.000 1.213 237 M CA -1.036 54.295 55.300 0.051 0.000 0.901 237 M CB 1.515 34.166 32.600 0.085 0.000 1.718 237 M HN 0.164 nan 8.290 nan 0.000 0.469 238 V N 3.036 122.926 119.914 -0.041 0.000 2.521 238 V HA 0.062 4.219 4.120 0.063 0.000 0.286 238 V C 0.266 176.297 176.094 -0.105 0.000 1.034 238 V CA -0.385 61.874 62.300 -0.068 0.000 1.045 238 V CB 0.808 32.585 31.823 -0.077 0.000 0.974 238 V HN 0.739 nan 8.190 nan 0.000 0.480 239 L N 10.586 131.755 121.223 -0.090 0.000 2.584 239 L HA 0.241 4.619 4.340 0.063 0.000 0.272 239 L C -1.890 174.884 176.870 -0.160 0.000 1.195 239 L CA -0.485 54.298 54.840 -0.095 0.000 0.920 239 L CB 0.148 42.191 42.059 -0.027 0.000 1.173 239 L HN 0.463 nan 8.230 nan 0.000 0.489 240 P HA 0.194 nan 4.420 nan 0.000 0.284 240 P C -1.199 176.036 177.300 -0.107 0.000 1.258 240 P CA -0.631 62.259 63.100 -0.349 0.000 0.824 240 P CB 0.756 31.952 31.700 -0.840 0.000 1.038 241 Q N 0.086 119.817 119.800 -0.116 0.000 2.421 241 Q HA 0.341 4.719 4.340 0.063 0.000 0.255 241 Q C -0.512 175.572 176.000 0.140 0.000 1.013 241 Q CA -0.222 55.590 55.803 0.015 0.000 0.895 241 Q CB 0.544 29.241 28.738 -0.068 0.000 1.271 241 Q HN 0.220 nan 8.270 nan 0.000 0.460 242 V N 3.257 123.394 119.914 0.371 0.000 2.443 242 V HA 0.252 4.410 4.120 0.063 0.000 0.293 242 V C -0.657 175.591 176.094 0.257 0.000 1.021 242 V CA -0.795 61.697 62.300 0.320 0.000 0.848 242 V CB 1.396 33.427 31.823 0.347 0.000 0.998 242 V HN 0.604 nan 8.190 nan 0.000 0.424 243 I N 4.015 124.640 120.570 0.093 0.000 2.352 243 I HA 0.370 4.578 4.170 0.063 0.000 0.290 243 I C 1.116 177.078 176.117 -0.259 0.000 1.036 243 I CA 0.011 61.302 61.300 -0.015 0.000 1.336 243 I CB 1.126 39.112 38.000 -0.024 0.000 1.407 243 I HN 0.703 nan 8.210 nan 0.000 0.497 244 G N 6.369 114.912 108.800 -0.428 0.000 2.351 244 G HA2 0.171 4.169 3.960 0.063 0.000 0.287 244 G HA3 0.171 4.169 3.960 0.063 0.000 0.287 244 G C -0.984 173.796 174.900 -0.201 0.000 1.159 244 G CA -0.202 44.326 45.100 -0.953 0.000 0.929 244 G HN 0.520 nan 8.290 nan 0.000 0.435 245 Y N 3.328 123.396 120.300 -0.386 0.000 2.434 245 Y HA 0.389 4.976 4.550 0.062 0.000 0.341 245 Y C 0.851 176.605 175.900 -0.243 0.000 0.965 245 Y CA -0.868 57.018 58.100 -0.357 0.000 1.205 245 Y CB 0.700 38.683 38.460 -0.795 0.000 1.121 245 Y HN 0.501 nan 8.280 nan 0.000 0.507 246 R N 6.818 127.033 120.500 -0.476 0.000 2.202 246 R HA 0.437 4.815 4.340 0.063 0.000 0.334 246 R C -1.462 174.581 176.300 -0.428 0.000 1.036 246 R CA -0.402 55.208 56.100 -0.817 0.000 0.878 246 R CB 0.373 30.125 30.300 -0.914 0.000 1.067 246 R HN 0.738 nan 8.270 nan 0.000 0.457 247 L N 6.705 127.782 121.223 -0.244 0.000 2.289 247 L HA 0.488 4.866 4.340 0.063 0.000 0.285 247 L C 0.161 176.957 176.870 -0.124 0.000 1.049 247 L CA -0.562 54.227 54.840 -0.085 0.000 0.804 247 L CB 1.420 43.507 42.059 0.047 0.000 1.195 247 L HN 0.642 nan 8.230 nan 0.000 0.428 248 M N 1.225 120.771 119.600 -0.090 0.000 2.667 248 M HA 0.928 5.446 4.480 0.063 0.000 0.286 248 M C 0.159 176.434 176.300 -0.042 0.000 1.270 248 M CA -0.468 54.788 55.300 -0.073 0.000 0.826 248 M CB 2.132 34.680 32.600 -0.085 0.000 1.743 248 M HN 0.609 nan 8.290 nan 0.000 0.460 249 G N 1.475 110.256 108.800 -0.031 0.000 2.693 249 G HA2 -0.118 3.880 3.960 0.063 0.000 0.226 249 G HA3 -0.118 3.880 3.960 0.063 0.000 0.226 249 G C -1.388 173.503 174.900 -0.015 0.000 1.354 249 G CA -0.512 44.577 45.100 -0.019 0.000 0.873 249 G HN 0.939 nan 8.290 nan 0.000 0.562 250 K N 1.197 121.593 120.400 -0.007 0.000 2.371 250 K HA 0.584 4.942 4.320 0.063 0.000 0.251 250 K C -2.522 174.083 176.600 0.008 0.000 0.934 250 K CA -1.670 54.613 56.287 -0.007 0.000 0.798 250 K CB 3.044 35.537 32.500 -0.012 0.000 1.204 250 K HN 0.459 nan 8.250 nan 0.000 0.427 251 P HA -0.002 nan 4.420 nan 0.000 0.279 251 P C -0.821 176.507 177.300 0.046 0.000 1.239 251 P CA -0.162 62.959 63.100 0.035 0.000 0.789 251 P CB 0.608 32.323 31.700 0.025 0.000 0.933 252 H N 4.436 123.499 119.070 -0.013 0.000 2.972 252 H HA 0.001 4.595 4.556 0.063 0.000 0.343 252 H C -1.331 173.996 175.328 -0.002 0.000 1.054 252 H CA -0.654 55.386 56.048 -0.014 0.000 1.412 252 H CB 0.480 30.225 29.762 -0.028 0.000 1.385 252 H HN 0.216 nan 8.280 nan 0.000 0.600 253 P HA -0.128 nan 4.420 nan 0.000 0.220 253 P C 1.407 178.718 177.300 0.018 0.000 1.144 253 P CA 1.061 64.038 63.100 -0.205 0.000 0.800 253 P CB 0.148 31.677 31.700 -0.285 0.000 0.772 254 L N -2.323 118.997 121.223 0.162 0.000 2.446 254 L HA 0.045 4.423 4.340 0.063 0.000 0.219 254 L C 0.842 177.811 176.870 0.165 0.000 1.116 254 L CA 0.016 54.971 54.840 0.191 0.000 0.844 254 L CB -0.210 41.862 42.059 0.022 0.000 0.970 254 L HN -0.197 nan 8.230 nan 0.000 0.457 255 V N 0.637 120.640 119.914 0.148 0.000 2.715 255 V HA 0.108 4.266 4.120 0.063 0.000 0.299 255 V C 0.648 176.815 176.094 0.122 0.000 1.054 255 V CA -0.049 62.314 62.300 0.105 0.000 1.077 255 V CB 1.348 33.221 31.823 0.083 0.000 0.972 255 V HN 0.382 nan 8.190 nan 0.000 0.484 256 T N 0.095 114.720 114.554 0.117 0.000 2.942 256 T HA 0.330 4.718 4.350 0.063 0.000 0.289 256 T C 1.235 175.969 174.700 0.057 0.000 1.044 256 T CA 0.020 62.182 62.100 0.104 0.000 1.023 256 T CB 1.549 70.501 68.868 0.141 0.000 1.123 256 T HN 0.703 nan 8.240 nan 0.000 0.512 257 S N 0.818 116.535 115.700 0.028 0.000 2.387 257 S HA -0.202 4.306 4.470 0.063 0.000 0.230 257 S C 1.843 176.455 174.600 0.020 0.000 1.035 257 S CA 1.879 60.079 58.200 -0.001 0.000 1.014 257 S CB -1.630 61.555 63.200 -0.025 0.000 0.836 257 S HN 0.836 nan 8.310 nan 0.000 0.466 258 T N 2.353 116.933 114.554 0.044 0.000 2.737 258 T HA -0.069 4.319 4.350 0.063 0.000 0.265 258 T C 1.437 176.178 174.700 0.068 0.000 1.038 258 T CA 1.357 63.491 62.100 0.058 0.000 1.144 258 T CB -0.640 68.273 68.868 0.074 0.000 0.866 258 T HN 0.406 nan 8.240 nan 0.000 0.434 259 D N 1.319 121.763 120.400 0.074 0.000 2.133 259 D HA -0.083 4.595 4.640 0.063 0.000 0.195 259 D C 2.061 178.397 176.300 0.060 0.000 0.997 259 D CA 0.965 55.007 54.000 0.069 0.000 0.840 259 D CB -0.398 40.438 40.800 0.061 0.000 0.947 259 D HN 0.377 nan 8.370 nan 0.000 0.452 260 I N 0.351 120.951 120.570 0.051 0.000 2.202 260 I HA -0.200 4.008 4.170 0.063 0.000 0.242 260 I C 2.622 178.773 176.117 0.057 0.000 1.091 260 I CA 0.601 61.930 61.300 0.049 0.000 1.368 260 I CB -0.248 37.770 38.000 0.029 0.000 1.058 260 I HN -0.095 nan 8.210 nan 0.000 0.410 261 V N 0.988 120.935 119.914 0.055 0.000 2.427 261 V HA -0.230 3.927 4.120 0.063 0.000 0.248 261 V C 2.331 178.488 176.094 0.105 0.000 1.051 261 V CA 1.655 64.003 62.300 0.081 0.000 1.048 261 V CB -0.131 31.745 31.823 0.088 0.000 0.666 261 V HN 0.254 nan 8.190 nan 0.000 0.456 262 L N 0.181 121.459 121.223 0.092 0.000 2.093 262 L HA -0.090 4.288 4.340 0.063 0.000 0.208 262 L C 2.616 179.541 176.870 0.091 0.000 1.085 262 L CA 2.538 57.435 54.840 0.095 0.000 0.755 262 L CB -1.700 40.412 42.059 0.088 0.000 0.904 262 L HN 0.380 nan 8.230 nan 0.000 0.435 263 T N -0.354 114.249 114.554 0.081 0.000 2.708 263 T HA -0.146 4.242 4.350 0.063 0.000 0.266 263 T C 2.038 176.800 174.700 0.104 0.000 1.037 263 T CA 1.469 63.617 62.100 0.080 0.000 1.146 263 T CB -0.209 68.699 68.868 0.067 0.000 0.865 263 T HN 0.197 nan 8.240 nan 0.000 0.435 264 I N 1.084 121.703 120.570 0.082 0.000 2.315 264 I HA -0.174 4.034 4.170 0.063 0.000 0.248 264 I C 2.724 178.771 176.117 -0.118 0.000 1.117 264 I CA 1.045 62.340 61.300 -0.008 0.000 1.404 264 I CB -0.701 37.206 38.000 -0.156 0.000 1.071 264 I HN 0.258 nan 8.210 nan 0.000 0.419 265 T N 0.857 115.426 114.554 0.026 0.000 2.622 265 T HA -0.277 4.111 4.350 0.063 0.000 0.266 265 T C 1.973 176.753 174.700 0.133 0.000 1.047 265 T CA 1.759 63.977 62.100 0.196 0.000 1.159 265 T CB -0.275 68.761 68.868 0.279 0.000 0.863 265 T HN 0.334 nan 8.240 nan 0.000 0.422 266 K N 0.298 120.770 120.400 0.119 0.000 2.063 266 K HA -0.239 4.119 4.320 0.063 0.000 0.208 266 K C 2.213 178.901 176.600 0.147 0.000 1.048 266 K CA 1.718 58.073 56.287 0.112 0.000 0.928 266 K CB -0.400 32.157 32.500 0.095 0.000 0.713 266 K HN 0.621 nan 8.250 nan 0.000 0.442 267 H N 0.165 119.252 119.070 0.028 0.000 2.321 267 H HA -0.061 4.532 4.556 0.063 0.000 0.300 267 H C 2.091 177.440 175.328 0.035 0.000 1.087 267 H CA 1.484 57.559 56.048 0.046 0.000 1.319 267 H CB 0.148 29.971 29.762 0.101 0.000 1.379 267 H HN 0.197 nan 8.280 nan 0.000 0.501 268 L N 0.054 121.209 121.223 -0.113 0.000 2.341 268 L HA -0.043 4.334 4.340 0.063 0.000 0.214 268 L C 2.729 179.595 176.870 -0.008 0.000 1.115 268 L CA 0.088 54.814 54.840 -0.190 0.000 0.820 268 L CB -0.133 41.695 42.059 -0.386 0.000 0.944 268 L HN 0.154 nan 8.230 nan 0.000 0.452 269 R N 0.368 120.911 120.500 0.072 0.000 2.096 269 R HA -0.145 4.233 4.340 0.063 0.000 0.235 269 R C 2.129 178.462 176.300 0.055 0.000 1.127 269 R CA 1.297 57.449 56.100 0.087 0.000 0.968 269 R CB -0.361 29.996 30.300 0.096 0.000 0.861 269 R HN 0.511 nan 8.270 nan 0.000 0.440 270 Q N -0.349 119.484 119.800 0.055 0.000 2.046 270 Q HA -0.079 4.299 4.340 0.063 0.000 0.200 270 Q C 2.163 178.182 176.000 0.033 0.000 0.975 270 Q CA 1.408 57.245 55.803 0.056 0.000 0.836 270 Q CB -0.005 28.791 28.738 0.096 0.000 0.896 270 Q HN 0.076 nan 8.270 nan 0.000 0.428 271 V N -0.165 119.746 119.914 -0.005 0.000 2.295 271 V HA -0.096 4.062 4.120 0.063 0.000 0.246 271 V C 0.989 177.081 176.094 -0.003 0.000 1.049 271 V CA 1.357 63.640 62.300 -0.028 0.000 1.024 271 V CB -0.950 30.805 31.823 -0.114 0.000 0.648 271 V HN 0.643 nan 8.190 nan 0.000 0.447 272 G N 0.079 108.884 108.800 0.009 0.000 3.292 272 G HA2 -0.027 3.971 3.960 0.063 0.000 0.636 272 G HA3 -0.027 3.971 3.960 0.063 0.000 0.636 272 G C -0.193 174.724 174.900 0.027 0.000 1.069 272 G CA 0.031 45.148 45.100 0.028 0.000 0.890 272 G HN 1.298 nan 8.290 nan 0.000 0.427 273 V N -0.077 119.865 119.914 0.047 0.000 3.199 273 V HA 0.524 4.682 4.120 0.063 0.000 0.331 273 V C 0.952 177.080 176.094 0.057 0.000 1.446 273 V CA 0.052 62.383 62.300 0.051 0.000 1.120 273 V CB 0.523 32.387 31.823 0.069 0.000 1.051 273 V HN 0.996 nan 8.190 nan 0.000 0.495 274 V N 2.870 122.813 119.914 0.049 0.000 2.599 274 V HA 0.518 4.676 4.120 0.063 0.000 0.300 274 V C 1.747 177.851 176.094 0.017 0.000 1.034 274 V CA 1.692 64.016 62.300 0.040 0.000 1.115 274 V CB 0.131 31.983 31.823 0.048 0.000 0.934 274 V HN 1.112 nan 8.190 nan 0.000 0.485 275 G N 4.039 112.838 108.800 -0.001 0.000 2.159 275 G HA2 -0.219 3.779 3.960 0.063 0.000 0.256 275 G HA3 -0.219 3.779 3.960 0.063 0.000 0.256 275 G C 0.080 174.938 174.900 -0.070 0.000 0.977 275 G CA 0.393 45.468 45.100 -0.042 0.000 0.652 275 G HN 0.648 nan 8.290 nan 0.000 0.531 276 K N -0.620 119.770 120.400 -0.018 0.000 2.350 276 K HA 0.740 5.098 4.320 0.063 0.000 0.241 276 K C -0.708 175.985 176.600 0.155 0.000 0.994 276 K CA -1.135 55.145 56.287 -0.011 0.000 0.839 276 K CB 1.422 33.935 32.500 0.022 0.000 1.244 276 K HN -0.069 nan 8.250 nan 0.000 0.443 277 F N 0.920 120.847 119.950 -0.039 0.000 2.375 277 F HA 0.298 4.862 4.527 0.062 0.000 0.333 277 F C 0.400 176.191 175.800 -0.016 0.000 1.104 277 F CA -1.267 56.714 58.000 -0.031 0.000 1.149 277 F CB 1.107 40.083 39.000 -0.041 0.000 1.190 277 F HN 0.037 nan 8.300 nan 0.000 0.533 278 V N 1.842 121.854 119.914 0.164 0.000 2.513 278 V HA 0.412 4.570 4.120 0.063 0.000 0.299 278 V C -0.483 175.562 176.094 -0.081 0.000 1.035 278 V CA -0.869 61.401 62.300 -0.050 0.000 0.889 278 V CB 1.821 33.536 31.823 -0.181 0.000 0.988 278 V HN 0.746 nan 8.190 nan 0.000 0.440 279 E N 3.025 123.088 120.200 -0.228 0.000 2.241 279 E HA 0.513 4.901 4.350 0.063 0.000 0.263 279 E C -1.585 174.830 176.600 -0.309 0.000 0.882 279 E CA -0.585 55.764 56.400 -0.085 0.000 0.769 279 E CB 1.295 31.123 29.700 0.213 0.000 1.185 279 E HN 0.470 nan 8.360 nan 0.000 0.415 280 F N 4.720 124.540 119.950 -0.218 0.000 2.389 280 F HA 0.456 5.020 4.527 0.062 0.000 0.337 280 F C 0.309 176.232 175.800 0.205 0.000 1.112 280 F CA 0.039 57.908 58.000 -0.219 0.000 1.192 280 F CB 0.592 39.025 39.000 -0.946 0.000 1.185 280 F HN 0.441 nan 8.300 nan 0.000 0.552 281 F N -1.006 119.036 119.950 0.154 0.000 3.052 281 F HA 0.862 5.427 4.527 0.063 0.000 0.323 281 F C -0.282 175.643 175.800 0.208 0.000 1.178 281 F CA -0.890 57.305 58.000 0.325 0.000 0.892 281 F CB 1.251 40.492 39.000 0.401 0.000 1.416 281 F HN 0.883 nan 8.300 nan 0.000 0.488 282 G N 0.293 109.103 108.800 0.017 0.000 2.612 282 G HA2 0.077 4.075 3.960 0.063 0.000 0.686 282 G HA3 0.077 4.075 3.960 0.063 0.000 0.686 282 G C -2.941 171.957 174.900 -0.004 0.000 1.274 282 G CA -0.469 44.513 45.100 -0.195 0.000 0.849 282 G HN 0.617 nan 8.290 nan 0.000 0.595 283 P HA 0.014 nan 4.420 nan 0.000 0.220 283 P C 1.921 179.215 177.300 -0.010 0.000 1.148 283 P CA 1.935 65.046 63.100 0.017 0.000 0.803 283 P CB -0.018 31.684 31.700 0.003 0.000 0.782 284 G N -0.627 108.146 108.800 -0.045 0.000 2.598 284 G HA2 -0.108 3.890 3.960 0.063 0.000 0.215 284 G HA3 -0.108 3.890 3.960 0.063 0.000 0.215 284 G C 1.394 176.248 174.900 -0.076 0.000 1.131 284 G CA 0.197 45.267 45.100 -0.049 0.000 0.785 284 G HN 0.174 nan 8.290 nan 0.000 0.539 285 V N 1.051 120.887 119.914 -0.131 0.000 2.488 285 V HA -0.014 4.144 4.120 0.063 0.000 0.246 285 V C 3.157 179.092 176.094 -0.266 0.000 1.046 285 V CA 1.611 63.744 62.300 -0.278 0.000 1.053 285 V CB -0.407 30.987 31.823 -0.715 0.000 0.679 285 V HN 0.401 nan 8.190 nan 0.000 0.458 286 A N 0.894 123.633 122.820 -0.134 0.000 2.015 286 A HA -0.243 4.115 4.320 0.063 0.000 0.219 286 A C 2.232 179.781 177.584 -0.058 0.000 1.163 286 A CA 1.665 53.675 52.037 -0.044 0.000 0.646 286 A CB -0.398 18.635 19.000 0.054 0.000 0.806 286 A HN 0.765 nan 8.150 nan 0.000 0.448 287 Q N -0.285 119.476 119.800 -0.066 0.000 2.311 287 Q HA 0.134 4.512 4.340 0.063 0.000 0.203 287 Q C 0.148 176.094 176.000 -0.089 0.000 0.954 287 Q CA 0.224 55.990 55.803 -0.062 0.000 0.885 287 Q CB -0.543 28.167 28.738 -0.048 0.000 0.963 287 Q HN 0.548 nan 8.270 nan 0.000 0.471 288 L N 3.464 124.608 121.223 -0.132 0.000 2.361 288 L HA 0.164 4.542 4.340 0.063 0.000 0.278 288 L C 0.515 177.263 176.870 -0.203 0.000 1.113 288 L CA -0.667 54.065 54.840 -0.180 0.000 0.849 288 L CB 0.775 42.685 42.059 -0.248 0.000 1.155 288 L HN 0.198 nan 8.230 nan 0.000 0.452 289 S N 3.053 118.649 115.700 -0.173 0.000 2.596 289 S HA 0.152 4.660 4.470 0.063 0.000 0.260 289 S C 1.421 175.857 174.600 -0.273 0.000 1.336 289 S CA -0.776 57.327 58.200 -0.163 0.000 0.993 289 S CB 0.964 64.103 63.200 -0.102 0.000 0.923 289 S HN 0.429 nan 8.310 nan 0.000 0.567 290 I N 1.300 121.696 120.570 -0.290 0.000 2.163 290 I HA -0.167 4.041 4.170 0.063 0.000 0.243 290 I C 2.931 178.761 176.117 -0.478 0.000 1.085 290 I CA 1.770 62.774 61.300 -0.494 0.000 1.347 290 I CB -2.450 35.069 38.000 -0.802 0.000 1.044 290 I HN 0.876 nan 8.210 nan 0.000 0.408 291 A N 0.694 123.318 122.820 -0.326 0.000 1.917 291 A HA -0.247 4.111 4.320 0.063 0.000 0.219 291 A C 1.996 179.455 177.584 -0.208 0.000 1.182 291 A CA 2.182 54.104 52.037 -0.192 0.000 0.633 291 A CB -0.677 18.300 19.000 -0.038 0.000 0.819 291 A HN 0.398 nan 8.150 nan 0.000 0.448 292 D N -0.534 119.726 120.400 -0.234 0.000 2.097 292 D HA -0.127 4.551 4.640 0.063 0.000 0.195 292 D C 2.224 178.287 176.300 -0.395 0.000 0.989 292 D CA 1.359 55.212 54.000 -0.245 0.000 0.827 292 D CB -0.397 40.268 40.800 -0.226 0.000 0.966 292 D HN 0.492 nan 8.370 nan 0.000 0.456 293 R N 0.770 120.887 120.500 -0.639 0.000 2.081 293 R HA -0.010 4.368 4.340 0.063 0.000 0.235 293 R C 2.319 178.137 176.300 -0.805 0.000 1.131 293 R CA 1.221 56.594 56.100 -1.211 0.000 0.960 293 R CB -0.297 28.989 30.300 -1.689 0.000 0.856 293 R HN 0.101 nan 8.270 nan 0.000 0.436 294 A N 0.671 123.195 122.820 -0.494 0.000 1.902 294 A HA -0.154 4.204 4.320 0.063 0.000 0.217 294 A C 2.167 179.664 177.584 -0.144 0.000 1.181 294 A CA 1.920 53.800 52.037 -0.260 0.000 0.623 294 A CB -0.882 17.990 19.000 -0.213 0.000 0.818 294 A HN 0.281 nan 8.150 nan 0.000 0.443 295 T N 0.694 115.163 114.554 -0.142 0.000 2.635 295 T HA -0.198 4.190 4.350 0.063 0.000 0.267 295 T C 1.793 176.478 174.700 -0.023 0.000 1.040 295 T CA 1.825 63.885 62.100 -0.066 0.000 1.156 295 T CB -0.521 68.311 68.868 -0.061 0.000 0.863 295 T HN 0.454 nan 8.240 nan 0.000 0.430 296 I N 1.275 121.805 120.570 -0.068 0.000 2.226 296 I HA -0.168 4.039 4.170 0.063 0.000 0.245 296 I C 2.920 179.159 176.117 0.204 0.000 1.100 296 I CA 1.214 62.542 61.300 0.047 0.000 1.374 296 I CB -0.489 37.472 38.000 -0.066 0.000 1.057 296 I HN 0.205 nan 8.210 nan 0.000 0.413 297 A N 0.759 123.669 122.820 0.151 0.000 2.015 297 A HA -0.216 4.141 4.320 0.063 0.000 0.219 297 A C 2.173 179.843 177.584 0.143 0.000 1.163 297 A CA 1.608 53.791 52.037 0.244 0.000 0.646 297 A CB -0.825 18.303 19.000 0.213 0.000 0.806 297 A HN 0.530 nan 8.150 nan 0.000 0.448 298 N N 0.176 118.922 118.700 0.076 0.000 2.061 298 N HA -0.161 4.617 4.740 0.063 0.000 0.193 298 N C 1.399 176.986 175.510 0.129 0.000 1.030 298 N CA 1.779 54.865 53.050 0.060 0.000 0.856 298 N CB -0.237 38.255 38.487 0.008 0.000 1.023 298 N HN 0.528 nan 8.380 nan 0.000 0.424 299 M N 0.261 119.912 119.600 0.085 0.000 2.639 299 M HA 0.005 4.523 4.480 0.063 0.000 0.220 299 M C 2.035 178.053 176.300 -0.470 0.000 1.155 299 M CA -0.320 54.990 55.300 0.017 0.000 1.003 299 M CB -0.245 32.426 32.600 0.120 0.000 1.725 299 M HN 0.294 nan 8.290 nan 0.000 0.489 300 C N 2.420 121.416 119.300 -0.506 0.000 2.385 300 C HA -0.129 4.369 4.460 0.063 0.000 0.275 300 C C -0.137 174.511 174.990 -0.571 0.000 1.207 300 C CA 1.562 60.109 59.018 -0.786 0.000 1.760 300 C CB -1.095 26.542 27.740 -0.172 0.000 2.051 300 C HN 0.377 nan 8.230 nan 0.000 0.467 301 P HA -0.036 nan 4.420 nan 0.000 0.223 301 P C 1.052 178.287 177.300 -0.109 0.000 1.151 301 P CA 1.519 64.518 63.100 -0.170 0.000 0.787 301 P CB -0.207 31.383 31.700 -0.184 0.000 0.788 302 E N -0.554 119.580 120.200 -0.111 0.000 2.152 302 E HA -0.147 4.241 4.350 0.063 0.000 0.192 302 E C 1.633 178.272 176.600 0.066 0.000 0.983 302 E CA 1.134 57.553 56.400 0.032 0.000 0.818 302 E CB -0.936 28.816 29.700 0.088 0.000 0.758 302 E HN 0.544 nan 8.360 nan 0.000 0.467 303 Y N -3.756 116.591 120.300 0.078 0.000 2.462 303 Y HA 0.505 5.092 4.550 0.063 0.000 0.261 303 Y C 1.464 177.387 175.900 0.038 0.000 1.146 303 Y CA 0.143 58.273 58.100 0.049 0.000 1.283 303 Y CB 0.131 38.608 38.460 0.029 0.000 1.090 303 Y HN -0.026 nan 8.280 nan 0.000 0.526 304 G N 0.052 108.883 108.800 0.052 0.000 2.253 304 G HA2 -0.133 3.865 3.960 0.063 0.000 0.209 304 G HA3 -0.133 3.865 3.960 0.063 0.000 0.209 304 G C 0.559 175.489 174.900 0.050 0.000 0.997 304 G CA -0.322 44.812 45.100 0.058 0.000 0.640 304 G HN 0.817 nan 8.290 nan 0.000 0.496 305 A N 0.014 122.883 122.820 0.080 0.000 2.327 305 A HA 0.702 5.060 4.320 0.063 0.000 0.255 305 A C 1.526 179.132 177.584 0.038 0.000 1.099 305 A CA 1.459 53.554 52.037 0.097 0.000 0.801 305 A CB 0.372 19.486 19.000 0.191 0.000 1.062 305 A HN 0.578 nan 8.150 nan 0.000 0.496 306 T N 0.205 114.785 114.554 0.043 0.000 2.976 306 T HA 0.396 4.784 4.350 0.063 0.000 0.257 306 T C 0.724 175.397 174.700 -0.045 0.000 1.051 306 T CA 1.378 63.435 62.100 -0.071 0.000 1.141 306 T CB -0.079 68.670 68.868 -0.199 0.000 0.881 306 T HN 1.130 nan 8.240 nan 0.000 0.461 307 A N 0.172 122.994 122.820 0.005 0.000 2.556 307 A HA 0.838 5.196 4.320 0.063 0.000 0.294 307 A C -1.394 176.260 177.584 0.116 0.000 1.091 307 A CA -0.624 51.395 52.037 -0.029 0.000 0.704 307 A CB 1.410 20.136 19.000 -0.457 0.000 1.300 307 A HN 0.288 nan 8.150 nan 0.000 0.406 308 A N 0.907 123.873 122.820 0.243 0.000 2.943 308 A HA 0.594 4.952 4.320 0.063 0.000 0.327 308 A C -1.213 176.661 177.584 0.483 0.000 1.141 308 A CA -0.210 52.066 52.037 0.399 0.000 0.773 308 A CB -0.133 19.192 19.000 0.542 0.000 1.143 308 A HN 1.245 nan 8.150 nan 0.000 0.463 309 F N 1.702 121.765 119.950 0.188 0.000 2.420 309 F HA 0.756 5.318 4.527 0.060 0.000 0.342 309 F C -1.166 174.741 175.800 0.178 0.000 1.113 309 F CA -1.203 56.911 58.000 0.191 0.000 1.059 309 F CB 0.912 39.966 39.000 0.090 0.000 1.128 309 F HN 0.383 nan 8.300 nan 0.000 0.475 310 F N 7.082 126.825 119.950 -0.345 0.000 2.366 310 F HA 0.429 4.993 4.527 0.061 0.000 0.366 310 F C -2.173 173.293 175.800 -0.555 0.000 1.096 310 F CA -2.522 55.320 58.000 -0.262 0.000 1.060 310 F CB 0.693 39.531 39.000 -0.271 0.000 1.282 310 F HN 0.347 nan 8.300 nan 0.000 0.450 311 P HA -0.041 nan 4.420 nan 0.000 0.269 311 P C -0.337 176.864 177.300 -0.164 0.000 1.211 311 P CA -0.108 62.814 63.100 -0.296 0.000 0.781 311 P CB 0.547 32.010 31.700 -0.396 0.000 0.877 312 V N 2.986 122.800 119.914 -0.167 0.000 2.572 312 V HA 0.166 4.324 4.120 0.063 0.000 0.291 312 V C 0.706 176.511 176.094 -0.480 0.000 1.039 312 V CA 0.695 62.905 62.300 -0.150 0.000 1.055 312 V CB 0.124 31.965 31.823 0.031 0.000 0.969 312 V HN 0.734 nan 8.190 nan 0.000 0.482 313 D N 3.026 123.181 120.400 -0.408 0.000 2.781 313 D HA 0.217 4.895 4.640 0.063 0.000 0.295 313 D C 0.753 176.889 176.300 -0.273 0.000 1.143 313 D CA -0.670 52.920 54.000 -0.683 0.000 1.076 313 D CB 1.201 41.848 40.800 -0.254 0.000 1.444 313 D HN 0.206 nan 8.370 nan 0.000 0.567 314 E N -0.495 119.668 120.200 -0.061 0.000 2.153 314 E HA -0.064 4.324 4.350 0.063 0.000 0.194 314 E C 1.795 178.450 176.600 0.090 0.000 0.988 314 E CA 1.028 57.533 56.400 0.175 0.000 0.811 314 E CB -0.412 29.392 29.700 0.174 0.000 0.746 314 E HN 0.341 nan 8.360 nan 0.000 0.466 315 V N 0.119 120.057 119.914 0.041 0.000 2.343 315 V HA -0.265 3.893 4.120 0.063 0.000 0.247 315 V C 2.211 178.323 176.094 0.030 0.000 1.051 315 V CA 1.892 64.204 62.300 0.021 0.000 1.036 315 V CB -0.610 31.202 31.823 -0.017 0.000 0.654 315 V HN 0.258 nan 8.190 nan 0.000 0.451 316 S N 0.353 116.064 115.700 0.018 0.000 2.359 316 S HA -0.151 4.357 4.470 0.063 0.000 0.224 316 S C 1.962 176.626 174.600 0.107 0.000 1.035 316 S CA 1.482 59.703 58.200 0.036 0.000 1.018 316 S CB -0.353 62.852 63.200 0.009 0.000 0.876 316 S HN 0.398 nan 8.310 nan 0.000 0.448 317 I N 2.291 122.933 120.570 0.120 0.000 2.208 317 I HA -0.159 4.049 4.170 0.063 0.000 0.245 317 I C 2.414 178.560 176.117 0.049 0.000 1.097 317 I CA 1.484 62.846 61.300 0.102 0.000 1.363 317 I CB -2.177 35.908 38.000 0.142 0.000 1.051 317 I HN 0.287 nan 8.210 nan 0.000 0.413 318 T N 0.118 114.705 114.554 0.055 0.000 2.788 318 T HA -0.226 4.162 4.350 0.063 0.000 0.268 318 T C 1.854 176.556 174.700 0.004 0.000 1.044 318 T CA 1.313 63.424 62.100 0.019 0.000 1.139 318 T CB -0.499 68.383 68.868 0.024 0.000 0.867 318 T HN 0.330 nan 8.240 nan 0.000 0.454 319 Y N 1.947 122.196 120.300 -0.085 0.000 2.145 319 Y HA -0.076 4.511 4.550 0.062 0.000 0.286 319 Y C 1.984 177.781 175.900 -0.171 0.000 1.145 319 Y CA 1.128 59.153 58.100 -0.125 0.000 1.148 319 Y CB -0.531 37.863 38.460 -0.110 0.000 0.981 319 Y HN 0.109 nan 8.280 nan 0.000 0.507 320 L N -0.686 120.503 121.223 -0.057 0.000 2.079 320 L HA -0.213 4.165 4.340 0.063 0.000 0.210 320 L C 2.624 179.352 176.870 -0.237 0.000 1.081 320 L CA 1.436 56.178 54.840 -0.164 0.000 0.752 320 L CB -1.039 40.990 42.059 -0.049 0.000 0.896 320 L HN 0.320 nan 8.230 nan 0.000 0.433 321 V N -0.692 119.118 119.914 -0.174 0.000 2.453 321 V HA -0.275 3.883 4.120 0.063 0.000 0.247 321 V C 2.358 178.318 176.094 -0.223 0.000 1.048 321 V CA 1.924 64.125 62.300 -0.166 0.000 1.049 321 V CB -0.173 31.588 31.823 -0.104 0.000 0.672 321 V HN 0.601 nan 8.190 nan 0.000 0.457 322 Q N 0.498 120.125 119.800 -0.288 0.000 2.119 322 Q HA -0.171 4.207 4.340 0.063 0.000 0.201 322 Q C 1.951 177.574 176.000 -0.629 0.000 0.972 322 Q CA 2.206 57.803 55.803 -0.343 0.000 0.847 322 Q CB -0.256 28.292 28.738 -0.316 0.000 0.903 322 Q HN 0.849 nan 8.270 nan 0.000 0.433 323 T N -3.345 110.633 114.554 -0.960 0.000 3.194 323 T HA 0.244 4.632 4.350 0.063 0.000 0.251 323 T C 1.070 175.421 174.700 -0.581 0.000 1.132 323 T CA 0.403 61.666 62.100 -1.396 0.000 1.028 323 T CB 0.099 68.211 68.868 -1.260 0.000 0.976 323 T HN 0.501 nan 8.240 nan 0.000 0.535 324 G N 1.432 110.028 108.800 -0.340 0.000 2.176 324 G HA2 -0.283 3.715 3.960 0.063 0.000 0.252 324 G HA3 -0.283 3.715 3.960 0.063 0.000 0.252 324 G C 0.099 174.928 174.900 -0.118 0.000 1.024 324 G CA -0.306 44.712 45.100 -0.137 0.000 0.755 324 G HN 0.640 nan 8.290 nan 0.000 0.507 325 R N 0.690 121.089 120.500 -0.169 0.000 2.679 325 R HA 0.307 4.685 4.340 0.063 0.000 0.268 325 R C 0.727 176.954 176.300 -0.123 0.000 1.044 325 R CA -0.137 55.877 56.100 -0.143 0.000 1.105 325 R CB 0.383 30.585 30.300 -0.164 0.000 0.989 325 R HN 0.347 nan 8.270 nan 0.000 0.447 326 D N 1.673 122.005 120.400 -0.113 0.000 2.533 326 D HA -0.120 4.558 4.640 0.063 0.000 0.236 326 D C 0.871 177.095 176.300 -0.128 0.000 1.137 326 D CA 0.213 54.153 54.000 -0.100 0.000 0.867 326 D CB 0.898 41.646 40.800 -0.086 0.000 1.170 326 D HN 0.581 nan 8.370 nan 0.000 0.474 327 E N 3.495 123.637 120.200 -0.097 0.000 2.097 327 E HA -0.252 4.136 4.350 0.063 0.000 0.196 327 E C 1.280 177.806 176.600 -0.124 0.000 1.000 327 E CA 1.694 58.034 56.400 -0.099 0.000 0.804 327 E CB 0.066 29.727 29.700 -0.065 0.000 0.740 327 E HN 0.498 nan 8.360 nan 0.000 0.454 328 E N 0.536 120.671 120.200 -0.108 0.000 2.072 328 E HA -0.161 4.227 4.350 0.063 0.000 0.191 328 E C 2.092 178.540 176.600 -0.254 0.000 0.985 328 E CA 1.228 57.572 56.400 -0.094 0.000 0.801 328 E CB -0.163 29.527 29.700 -0.018 0.000 0.750 328 E HN 0.399 nan 8.360 nan 0.000 0.452 329 K N 0.651 120.828 120.400 -0.371 0.000 2.025 329 K HA -0.049 4.309 4.320 0.063 0.000 0.207 329 K C 2.457 178.564 176.600 -0.822 0.000 1.049 329 K CA 0.748 56.538 56.287 -0.827 0.000 0.933 329 K CB -0.265 31.957 32.500 -0.463 0.000 0.714 329 K HN 0.031 nan 8.250 nan 0.000 0.438 330 L N 1.486 122.460 121.223 -0.416 0.000 2.021 330 L HA -0.275 4.103 4.340 0.063 0.000 0.215 330 L C 2.538 179.245 176.870 -0.272 0.000 1.074 330 L CA 1.309 55.978 54.840 -0.284 0.000 0.760 330 L CB -0.534 41.417 42.059 -0.179 0.000 0.889 330 L HN 0.163 nan 8.230 nan 0.000 0.433 331 K N 0.126 120.375 120.400 -0.252 0.000 2.015 331 K HA -0.252 4.106 4.320 0.063 0.000 0.216 331 K C 2.153 178.658 176.600 -0.158 0.000 1.052 331 K CA 2.540 58.726 56.287 -0.168 0.000 0.937 331 K CB -0.640 31.799 32.500 -0.103 0.000 0.719 331 K HN 0.494 nan 8.250 nan 0.000 0.446 332 Y N -0.554 119.646 120.300 -0.166 0.000 2.457 332 Y HA 0.107 4.692 4.550 0.058 0.000 0.292 332 Y C 1.910 177.653 175.900 -0.262 0.000 1.125 332 Y CA 0.067 57.985 58.100 -0.303 0.000 1.254 332 Y CB -0.913 37.250 38.460 -0.494 0.000 1.012 332 Y HN -0.051 nan 8.280 nan 0.000 0.555 333 I N 1.121 121.622 120.570 -0.115 0.000 2.113 333 I HA -0.287 3.921 4.170 0.063 0.000 0.238 333 I C 2.719 178.861 176.117 0.041 0.000 1.070 333 I CA 2.146 63.469 61.300 0.039 0.000 1.332 333 I CB -0.393 37.582 38.000 -0.042 0.000 1.044 333 I HN 0.179 nan 8.210 nan 0.000 0.402 334 K N 1.210 121.564 120.400 -0.078 0.000 2.026 334 K HA -0.245 4.112 4.320 0.063 0.000 0.208 334 K C 2.264 178.687 176.600 -0.294 0.000 1.048 334 K CA 1.607 57.755 56.287 -0.232 0.000 0.929 334 K CB -0.067 32.242 32.500 -0.318 0.000 0.713 334 K HN 0.064 nan 8.250 nan 0.000 0.439 335 K N -0.324 119.948 120.400 -0.214 0.000 2.032 335 K HA -0.243 4.115 4.320 0.063 0.000 0.209 335 K C 2.224 178.684 176.600 -0.233 0.000 1.048 335 K CA 1.839 58.000 56.287 -0.211 0.000 0.927 335 K CB -0.349 32.054 32.500 -0.160 0.000 0.712 335 K HN 0.241 nan 8.250 nan 0.000 0.441 336 Y N 1.286 121.401 120.300 -0.308 0.000 2.145 336 Y HA -0.192 4.399 4.550 0.068 0.000 0.286 336 Y C 1.661 177.464 175.900 -0.161 0.000 1.145 336 Y CA 1.567 59.449 58.100 -0.363 0.000 1.148 336 Y CB -0.309 37.956 38.460 -0.326 0.000 0.981 336 Y HN 0.005 nan 8.280 nan 0.000 0.507 337 L N 0.080 121.136 121.223 -0.278 0.000 2.083 337 L HA -0.251 4.127 4.340 0.063 0.000 0.209 337 L C 2.573 179.386 176.870 -0.094 0.000 1.083 337 L CA 1.592 56.330 54.840 -0.171 0.000 0.752 337 L CB -0.615 41.580 42.059 0.227 0.000 0.899 337 L HN 0.326 nan 8.230 nan 0.000 0.433 338 Q N -0.325 119.376 119.800 -0.165 0.000 2.046 338 Q HA -0.159 4.219 4.340 0.063 0.000 0.200 338 Q C 2.493 178.442 176.000 -0.085 0.000 0.975 338 Q CA 1.492 57.228 55.803 -0.112 0.000 0.836 338 Q CB -0.253 28.341 28.738 -0.240 0.000 0.896 338 Q HN 0.557 nan 8.270 nan 0.000 0.428 339 A N 0.297 123.006 122.820 -0.185 0.000 1.972 339 A HA -0.124 4.234 4.320 0.063 0.000 0.219 339 A C 2.138 179.755 177.584 0.054 0.000 1.169 339 A CA 1.347 53.320 52.037 -0.106 0.000 0.635 339 A CB -0.499 18.317 19.000 -0.307 0.000 0.810 339 A HN 0.274 nan 8.150 nan 0.000 0.446 340 V N -1.238 118.630 119.914 -0.076 0.000 3.354 340 V HA 0.362 4.520 4.120 0.063 0.000 0.258 340 V C 1.381 177.597 176.094 0.203 0.000 1.159 340 V CA 1.511 63.875 62.300 0.106 0.000 1.125 340 V CB -0.148 31.625 31.823 -0.083 0.000 0.774 340 V HN 1.326 nan 8.190 nan 0.000 0.464 341 G N 0.530 109.425 108.800 0.159 0.000 2.164 341 G HA2 -0.238 3.760 3.960 0.063 0.000 0.212 341 G HA3 -0.238 3.760 3.960 0.063 0.000 0.212 341 G C 0.238 175.265 174.900 0.211 0.000 1.031 341 G CA 0.368 45.594 45.100 0.209 0.000 0.730 341 G HN 0.443 nan 8.290 nan 0.000 0.501 342 M N -0.460 119.304 119.600 0.273 0.000 2.589 342 M HA 0.427 4.945 4.480 0.063 0.000 0.344 342 M C -0.062 176.505 176.300 0.445 0.000 1.168 342 M CA -0.157 55.411 55.300 0.448 0.000 0.956 342 M CB 0.552 33.360 32.600 0.347 0.000 1.370 342 M HN 0.221 nan 8.290 nan 0.000 0.518 343 F N 0.966 121.032 119.950 0.193 0.000 2.426 343 F HA 0.582 5.153 4.527 0.073 0.000 0.348 343 F C 0.044 175.778 175.800 -0.110 0.000 1.124 343 F CA -0.879 57.130 58.000 0.015 0.000 1.008 343 F CB 0.752 39.748 39.000 -0.006 0.000 1.139 343 F HN -0.059 nan 8.300 nan 0.000 0.452 344 R N 3.261 123.256 120.500 -0.842 0.000 2.486 344 R HA 0.348 4.726 4.340 0.063 0.000 0.286 344 R C -1.588 174.257 176.300 -0.759 0.000 0.999 344 R CA -0.385 55.152 56.100 -0.938 0.000 0.993 344 R CB 0.899 30.357 30.300 -1.402 0.000 1.084 344 R HN 0.602 nan 8.270 nan 0.000 0.487 345 D N 3.435 123.528 120.400 -0.511 0.000 2.440 345 D HA 0.146 4.824 4.640 0.063 0.000 0.252 345 D C -0.205 175.953 176.300 -0.236 0.000 1.180 345 D CA -0.424 53.413 54.000 -0.272 0.000 0.894 345 D CB 0.321 41.076 40.800 -0.074 0.000 1.111 345 D HN 0.456 nan 8.370 nan 0.000 0.544 346 F N 1.582 121.494 119.950 -0.064 0.000 2.546 346 F HA 0.019 4.587 4.527 0.069 0.000 0.298 346 F C 1.778 177.599 175.800 0.034 0.000 1.120 346 F CA 0.373 58.375 58.000 0.002 0.000 1.456 346 F CB -0.061 38.944 39.000 0.007 0.000 1.088 346 F HN 0.317 nan 8.300 nan 0.000 0.572 347 N N -0.251 118.542 118.700 0.155 0.000 2.370 347 N HA -0.044 4.734 4.740 0.063 0.000 0.198 347 N C -0.332 175.229 175.510 0.083 0.000 1.156 347 N CA 0.430 53.546 53.050 0.110 0.000 0.839 347 N CB -0.125 38.411 38.487 0.082 0.000 0.989 347 N HN 0.130 nan 8.380 nan 0.000 0.468 348 D N -0.047 120.400 120.400 0.078 0.000 2.438 348 D HA 0.280 4.958 4.640 0.063 0.000 0.257 348 D C -1.952 174.403 176.300 0.093 0.000 1.148 348 D CA -2.124 51.916 54.000 0.068 0.000 0.902 348 D CB 1.641 42.466 40.800 0.042 0.000 1.062 348 D HN -0.098 nan 8.370 nan 0.000 0.518 349 P HA -0.136 nan 4.420 nan 0.000 0.219 349 P C 1.408 178.772 177.300 0.107 0.000 1.146 349 P CA 0.928 64.115 63.100 0.145 0.000 0.808 349 P CB 0.184 31.962 31.700 0.131 0.000 0.779 350 S N -0.820 114.924 115.700 0.073 0.000 2.442 350 S HA -0.229 4.279 4.470 0.063 0.000 0.236 350 S C 2.033 176.657 174.600 0.040 0.000 1.007 350 S CA 0.985 59.215 58.200 0.050 0.000 0.965 350 S CB -1.047 62.178 63.200 0.042 0.000 0.773 350 S HN 0.222 nan 8.310 nan 0.000 0.504 351 Q N 0.788 120.621 119.800 0.055 0.000 2.424 351 Q HA 0.040 4.418 4.340 0.063 0.000 0.204 351 Q C -0.669 175.377 176.000 0.075 0.000 0.933 351 Q CA -0.008 55.833 55.803 0.063 0.000 0.929 351 Q CB 0.028 28.805 28.738 0.066 0.000 1.037 351 Q HN 0.495 nan 8.270 nan 0.000 0.511 352 D N 3.287 123.728 120.400 0.068 0.000 2.487 352 D HA 0.045 4.723 4.640 0.063 0.000 0.243 352 D C -2.173 173.991 176.300 -0.226 0.000 1.154 352 D CA -0.831 53.172 54.000 0.005 0.000 0.876 352 D CB 0.733 41.593 40.800 0.100 0.000 1.161 352 D HN 0.189 nan 8.370 nan 0.000 0.478 353 P HA 0.023 nan 4.420 nan 0.000 0.271 353 P C -0.381 176.402 177.300 -0.862 0.000 1.238 353 P CA -0.162 62.490 63.100 -0.747 0.000 0.794 353 P CB 0.507 31.568 31.700 -1.065 0.000 0.959 354 D N 0.793 120.867 120.400 -0.543 0.000 2.563 354 D HA 0.200 4.878 4.640 0.063 0.000 0.222 354 D C -0.023 176.208 176.300 -0.116 0.000 1.145 354 D CA 0.026 53.873 54.000 -0.255 0.000 1.001 354 D CB -0.984 39.790 40.800 -0.043 0.000 1.049 354 D HN 0.122 nan 8.370 nan 0.000 0.515 355 F N 0.072 120.041 119.950 0.032 0.000 2.490 355 F HA 0.036 4.602 4.527 0.065 0.000 0.336 355 F C 2.349 178.273 175.800 0.207 0.000 1.178 355 F CA -0.324 57.761 58.000 0.142 0.000 1.301 355 F CB 0.115 39.109 39.000 -0.009 0.000 1.175 355 F HN 0.026 nan 8.300 nan 0.000 0.593 356 T N -0.277 114.563 114.554 0.476 0.000 2.607 356 T HA -0.179 4.209 4.350 0.063 0.000 0.267 356 T C 0.358 175.163 174.700 0.175 0.000 1.049 356 T CA 1.687 63.919 62.100 0.220 0.000 1.162 356 T CB -0.360 68.599 68.868 0.152 0.000 0.863 356 T HN 0.707 nan 8.240 nan 0.000 0.424 357 Q N -0.734 119.173 119.800 0.178 0.000 2.511 357 Q HA 0.662 5.040 4.340 0.063 0.000 0.289 357 Q C -2.055 174.019 176.000 0.124 0.000 1.021 357 Q CA -1.005 54.876 55.803 0.130 0.000 0.785 357 Q CB 2.014 30.798 28.738 0.078 0.000 1.472 357 Q HN 0.067 nan 8.270 nan 0.000 0.411 358 V N 1.209 121.192 119.914 0.115 0.000 2.513 358 V HA 0.571 4.729 4.120 0.063 0.000 0.299 358 V C -0.516 175.591 176.094 0.022 0.000 1.035 358 V CA -0.614 61.752 62.300 0.110 0.000 0.889 358 V CB 1.686 33.655 31.823 0.244 0.000 0.988 358 V HN 0.642 nan 8.190 nan 0.000 0.440 359 V N 3.759 123.631 119.914 -0.070 0.000 2.864 359 V HA 0.552 4.710 4.120 0.063 0.000 0.314 359 V C -0.307 175.563 176.094 -0.374 0.000 1.073 359 V CA -0.635 61.573 62.300 -0.154 0.000 0.956 359 V CB 2.236 33.971 31.823 -0.147 0.000 1.023 359 V HN 0.912 nan 8.190 nan 0.000 0.435 360 E N 1.815 121.831 120.200 -0.307 0.000 2.256 360 E HA 0.633 5.021 4.350 0.063 0.000 0.267 360 E C -1.793 174.580 176.600 -0.378 0.000 0.892 360 E CA -0.844 55.327 56.400 -0.382 0.000 0.775 360 E CB 2.609 32.188 29.700 -0.201 0.000 1.207 360 E HN 0.384 nan 8.360 nan 0.000 0.420 361 L N 2.831 123.842 121.223 -0.354 0.000 2.406 361 L HA 0.326 4.704 4.340 0.063 0.000 0.272 361 L C -1.296 175.522 176.870 -0.086 0.000 0.980 361 L CA -0.523 54.229 54.840 -0.146 0.000 0.831 361 L CB 1.669 43.775 42.059 0.079 0.000 1.253 361 L HN 0.352 nan 8.230 nan 0.000 0.406 362 D N 4.464 124.818 120.400 -0.076 0.000 2.339 362 D HA 0.170 4.848 4.640 0.063 0.000 0.241 362 D C 1.082 177.369 176.300 -0.022 0.000 1.183 362 D CA -0.008 53.962 54.000 -0.050 0.000 0.859 362 D CB 1.009 41.779 40.800 -0.051 0.000 1.067 362 D HN 0.668 nan 8.370 nan 0.000 0.484 363 L N 3.794 125.013 121.223 -0.006 0.000 2.353 363 L HA -0.180 4.198 4.340 0.063 0.000 0.220 363 L C 2.380 179.258 176.870 0.014 0.000 1.133 363 L CA 0.994 55.842 54.840 0.013 0.000 0.798 363 L CB -0.304 41.764 42.059 0.014 0.000 0.922 363 L HN 0.470 nan 8.230 nan 0.000 0.445 364 K N -0.239 120.165 120.400 0.006 0.000 2.362 364 K HA -0.113 4.245 4.320 0.063 0.000 0.200 364 K C 1.746 178.348 176.600 0.003 0.000 1.046 364 K CA 1.553 57.849 56.287 0.015 0.000 0.952 364 K CB -0.502 32.004 32.500 0.011 0.000 0.753 364 K HN 0.310 nan 8.250 nan 0.000 0.466 365 T N -1.391 113.157 114.554 -0.010 0.000 3.113 365 T HA 0.115 4.503 4.350 0.063 0.000 0.256 365 T C 0.688 175.379 174.700 -0.014 0.000 1.131 365 T CA -0.306 61.781 62.100 -0.021 0.000 1.074 365 T CB -0.191 68.655 68.868 -0.036 0.000 0.944 365 T HN -0.018 nan 8.240 nan 0.000 0.516 366 V N 3.532 123.447 119.914 0.002 0.000 2.572 366 V HA 0.415 4.573 4.120 0.063 0.000 0.291 366 V C 0.542 176.636 176.094 0.000 0.000 1.039 366 V CA -0.677 61.630 62.300 0.011 0.000 1.055 366 V CB 0.619 32.459 31.823 0.029 0.000 0.969 366 V HN 0.511 nan 8.190 nan 0.000 0.482 367 V N 3.517 123.427 119.914 -0.006 0.000 2.919 367 V HA 0.692 4.850 4.120 0.063 0.000 0.316 367 V C -2.737 173.346 176.094 -0.018 0.000 1.077 367 V CA -3.160 59.121 62.300 -0.031 0.000 0.977 367 V CB 1.628 33.427 31.823 -0.041 0.000 1.039 367 V HN 0.647 nan 8.190 nan 0.000 0.441 368 P HA 0.284 nan 4.420 nan 0.000 0.262 368 P C -0.313 176.991 177.300 0.007 0.000 1.182 368 P CA 0.236 63.307 63.100 -0.047 0.000 0.761 368 P CB -0.021 31.581 31.700 -0.164 0.000 0.795 369 C N 1.887 121.220 119.300 0.055 0.000 3.311 369 C HA 0.773 5.271 4.460 0.063 0.000 0.325 369 C C -0.558 174.512 174.990 0.133 0.000 1.352 369 C CA -0.670 58.401 59.018 0.089 0.000 1.308 369 C CB 0.883 28.668 27.740 0.074 0.000 1.619 369 C HN 0.565 nan 8.230 nan 0.000 0.469 370 C N 0.695 120.090 119.300 0.158 0.000 2.973 370 C HA 0.944 5.442 4.460 0.063 0.000 0.329 370 C C 0.005 175.118 174.990 0.204 0.000 1.327 370 C CA -0.208 58.930 59.018 0.200 0.000 1.632 370 C CB 1.916 29.794 27.740 0.230 0.000 2.098 370 C HN 1.035 nan 8.230 nan 0.000 0.469 371 S N -0.161 115.666 115.700 0.212 0.000 2.594 371 S HA 0.903 5.411 4.470 0.063 0.000 0.296 371 S C -0.057 174.582 174.600 0.065 0.000 1.124 371 S CA 0.027 58.308 58.200 0.136 0.000 1.011 371 S CB 1.670 64.905 63.200 0.058 0.000 1.016 371 S HN 1.451 nan 8.310 nan 0.000 0.485 372 G N 2.774 111.565 108.800 -0.015 0.000 2.344 372 G HA2 0.323 4.321 3.960 0.063 0.000 0.282 372 G HA3 0.323 4.321 3.960 0.063 0.000 0.282 372 G C -3.011 171.778 174.900 -0.185 0.000 1.281 372 G CA -0.636 44.275 45.100 -0.315 0.000 0.877 372 G HN 0.341 nan 8.290 nan 0.000 0.494 373 P HA 0.184 nan 4.420 nan 0.000 0.241 373 P C 0.605 177.786 177.300 -0.198 0.000 1.191 373 P CA 0.904 63.683 63.100 -0.534 0.000 0.771 373 P CB 0.267 31.980 31.700 0.021 0.000 0.929 374 K N -1.320 119.041 120.400 -0.063 0.000 2.554 374 K HA 0.249 4.607 4.320 0.063 0.000 0.211 374 K C 0.525 177.143 176.600 0.029 0.000 1.226 374 K CA -0.112 56.230 56.287 0.092 0.000 1.025 374 K CB 1.359 34.044 32.500 0.308 0.000 1.021 374 K HN 0.011 nan 8.250 nan 0.000 0.600 375 R N 0.236 120.647 120.500 -0.147 0.000 2.698 375 R HA 0.204 4.581 4.340 0.063 0.000 0.275 375 R C -2.548 173.586 176.300 -0.277 0.000 1.001 375 R CA -1.891 54.035 56.100 -0.290 0.000 0.896 375 R CB 1.657 31.800 30.300 -0.262 0.000 1.218 375 R HN -0.267 nan 8.270 nan 0.000 0.462 376 P HA -0.194 nan 4.420 nan 0.000 0.220 376 P C 0.770 178.047 177.300 -0.038 0.000 1.148 376 P CA 1.106 64.108 63.100 -0.162 0.000 0.803 376 P CB 0.332 31.958 31.700 -0.123 0.000 0.782 377 Q N -1.223 118.561 119.800 -0.027 0.000 2.403 377 Q HA 0.006 4.384 4.340 0.063 0.000 0.203 377 Q C -0.308 175.699 176.000 0.011 0.000 0.932 377 Q CA 0.730 56.545 55.803 0.021 0.000 0.945 377 Q CB -0.604 28.152 28.738 0.031 0.000 1.045 377 Q HN 0.182 nan 8.270 nan 0.000 0.511 378 D N 2.777 123.167 120.400 -0.017 0.000 2.688 378 D HA 0.107 4.785 4.640 0.063 0.000 0.228 378 D C -0.459 175.873 176.300 0.053 0.000 1.116 378 D CA 0.180 54.185 54.000 0.009 0.000 1.023 378 D CB 0.050 40.843 40.800 -0.013 0.000 1.100 378 D HN 0.148 nan 8.370 nan 0.000 0.487 379 K N 0.676 121.113 120.400 0.062 0.000 2.448 379 K HA 0.179 4.537 4.320 0.063 0.000 0.278 379 K C -0.695 175.961 176.600 0.094 0.000 1.009 379 K CA 0.011 56.347 56.287 0.082 0.000 0.995 379 K CB 0.703 33.246 32.500 0.071 0.000 0.917 379 K HN -0.040 nan 8.250 nan 0.000 0.481 380 V N 3.566 123.552 119.914 0.120 0.000 2.525 380 V HA 0.272 4.430 4.120 0.063 0.000 0.299 380 V C -0.206 175.947 176.094 0.098 0.000 1.034 380 V CA -1.164 61.207 62.300 0.118 0.000 0.863 380 V CB 1.349 33.275 31.823 0.171 0.000 0.999 380 V HN 0.976 nan 8.190 nan 0.000 0.423 381 A N 4.095 126.956 122.820 0.069 0.000 2.561 381 A HA 0.324 4.682 4.320 0.063 0.000 0.234 381 A C 1.401 179.026 177.584 0.068 0.000 1.055 381 A CA 0.214 52.283 52.037 0.053 0.000 0.756 381 A CB 0.362 19.379 19.000 0.028 0.000 0.986 381 A HN 0.865 nan 8.150 nan 0.000 0.505 382 V N 2.900 122.859 119.914 0.076 0.000 2.332 382 V HA -0.250 3.907 4.120 0.063 0.000 0.248 382 V C 2.596 178.746 176.094 0.094 0.000 1.055 382 V CA 2.686 65.062 62.300 0.126 0.000 1.038 382 V CB -0.862 31.034 31.823 0.122 0.000 0.651 382 V HN 0.961 nan 8.190 nan 0.000 0.450 383 S N -0.064 115.663 115.700 0.046 0.000 2.420 383 S HA -0.203 4.305 4.470 0.063 0.000 0.237 383 S C 1.355 175.968 174.600 0.021 0.000 1.023 383 S CA 1.607 59.821 58.200 0.024 0.000 0.991 383 S CB -0.275 62.925 63.200 -0.001 0.000 0.792 383 S HN 0.671 nan 8.310 nan 0.000 0.488 384 D N -0.236 120.182 120.400 0.031 0.000 2.433 384 D HA 0.237 4.915 4.640 0.063 0.000 0.211 384 D C 1.403 177.727 176.300 0.039 0.000 1.114 384 D CA -0.053 53.967 54.000 0.033 0.000 0.837 384 D CB -0.002 40.821 40.800 0.038 0.000 0.984 384 D HN 0.225 nan 8.370 nan 0.000 0.505 385 M N 0.608 120.225 119.600 0.028 0.000 2.080 385 M HA -0.174 4.344 4.480 0.063 0.000 0.260 385 M C 2.096 178.392 176.300 -0.006 0.000 1.068 385 M CA 1.439 56.729 55.300 -0.017 0.000 1.109 385 M CB -0.543 32.020 32.600 -0.061 0.000 1.342 385 M HN -0.000 nan 8.290 nan 0.000 0.405 386 K N 0.216 120.607 120.400 -0.014 0.000 2.026 386 K HA -0.205 4.153 4.320 0.063 0.000 0.208 386 K C 2.028 178.681 176.600 0.090 0.000 1.048 386 K CA 1.574 57.871 56.287 0.017 0.000 0.929 386 K CB 0.072 32.560 32.500 -0.020 0.000 0.713 386 K HN -0.052 nan 8.250 nan 0.000 0.439 387 K N 1.029 121.465 120.400 0.061 0.000 2.032 387 K HA -0.171 4.187 4.320 0.063 0.000 0.209 387 K C 1.718 178.363 176.600 0.074 0.000 1.048 387 K CA 2.105 58.428 56.287 0.060 0.000 0.927 387 K CB -0.415 32.109 32.500 0.040 0.000 0.712 387 K HN 0.279 nan 8.250 nan 0.000 0.441 388 D N -1.176 119.280 120.400 0.093 0.000 2.117 388 D HA -0.140 4.538 4.640 0.063 0.000 0.198 388 D C 1.666 178.048 176.300 0.136 0.000 0.982 388 D CA 0.763 54.824 54.000 0.101 0.000 0.828 388 D CB -0.054 40.818 40.800 0.121 0.000 0.967 388 D HN 0.161 nan 8.370 nan 0.000 0.464 389 F N 1.429 121.419 119.950 0.068 0.000 2.102 389 F HA -0.062 4.502 4.527 0.063 0.000 0.298 389 F C 2.082 177.925 175.800 0.073 0.000 1.105 389 F CA 1.457 59.539 58.000 0.136 0.000 1.239 389 F CB -0.137 38.934 39.000 0.117 0.000 0.991 389 F HN -0.043 nan 8.300 nan 0.000 0.474 390 E N -0.529 119.730 120.200 0.099 0.000 2.150 390 E HA -0.164 4.224 4.350 0.063 0.000 0.193 390 E C 2.313 178.813 176.600 -0.167 0.000 0.985 390 E CA 1.226 57.586 56.400 -0.067 0.000 0.814 390 E CB -0.206 29.526 29.700 0.053 0.000 0.752 390 E HN 0.334 nan 8.360 nan 0.000 0.466 391 S N 0.301 115.951 115.700 -0.084 0.000 2.382 391 S HA -0.166 4.342 4.470 0.063 0.000 0.228 391 S C 2.096 176.598 174.600 -0.163 0.000 1.027 391 S CA 0.772 58.921 58.200 -0.085 0.000 0.991 391 S CB -0.220 62.958 63.200 -0.037 0.000 0.823 391 S HN 0.409 nan 8.310 nan 0.000 0.469 392 C N 1.294 120.446 119.300 -0.246 0.000 2.440 392 C HA 0.068 4.566 4.460 0.063 0.000 0.278 392 C C 2.469 177.216 174.990 -0.403 0.000 1.295 392 C CA 0.195 58.958 59.018 -0.424 0.000 1.738 392 C CB -1.518 25.859 27.740 -0.605 0.000 1.987 392 C HN 0.536 nan 8.230 nan 0.000 0.492 393 L N 0.704 121.688 121.223 -0.398 0.000 1.997 393 L HA -0.177 4.201 4.340 0.063 0.000 0.216 393 L C 2.576 179.365 176.870 -0.135 0.000 1.074 393 L CA 2.093 56.712 54.840 -0.368 0.000 0.763 393 L CB -0.904 40.592 42.059 -0.939 0.000 0.890 393 L HN 0.530 nan 8.230 nan 0.000 0.434 394 G N -1.410 107.340 108.800 -0.084 0.000 2.939 394 G HA2 0.312 4.310 3.960 0.063 0.000 0.210 394 G HA3 0.312 4.310 3.960 0.063 0.000 0.210 394 G C 0.529 175.447 174.900 0.030 0.000 1.160 394 G CA 0.368 45.559 45.100 0.151 0.000 0.770 394 G HN 0.376 nan 8.290 nan 0.000 0.543 395 A N 0.391 123.177 122.820 -0.056 0.000 2.371 395 A HA 0.535 4.893 4.320 0.063 0.000 0.257 395 A C 0.551 178.096 177.584 -0.064 0.000 1.089 395 A CA -0.483 51.513 52.037 -0.070 0.000 0.794 395 A CB 0.376 19.306 19.000 -0.116 0.000 1.029 395 A HN 0.289 nan 8.150 nan 0.000 0.488 396 K N 1.865 122.236 120.400 -0.049 0.000 2.511 396 K HA -0.048 4.310 4.320 0.063 0.000 0.280 396 K C 0.540 177.099 176.600 -0.067 0.000 1.008 396 K CA 0.188 56.450 56.287 -0.042 0.000 1.050 396 K CB 0.275 32.754 32.500 -0.036 0.000 0.889 396 K HN 0.752 nan 8.250 nan 0.000 0.484 397 Q N 2.505 122.277 119.800 -0.047 0.000 2.687 397 Q HA -0.022 4.356 4.340 0.063 0.000 0.341 397 Q C -0.256 175.677 176.000 -0.110 0.000 1.074 397 Q CA 1.278 57.049 55.803 -0.054 0.000 1.115 397 Q CB 0.013 28.742 28.738 -0.015 0.000 0.996 397 Q HN 0.870 nan 8.270 nan 0.000 0.397 398 G N 2.313 111.020 108.800 -0.155 0.000 2.341 398 G HA2 0.122 4.120 3.960 0.063 0.000 0.299 398 G HA3 0.122 4.120 3.960 0.063 0.000 0.299 398 G C -0.424 174.342 174.900 -0.223 0.000 1.274 398 G CA -0.650 44.295 45.100 -0.259 0.000 0.853 398 G HN 0.560 nan 8.290 nan 0.000 0.493 399 F N 0.289 120.218 119.950 -0.035 0.000 2.202 399 F HA 0.059 4.624 4.527 0.064 0.000 0.301 399 F C 2.078 177.803 175.800 -0.125 0.000 1.082 399 F CA 0.991 58.970 58.000 -0.035 0.000 1.313 399 F CB 0.279 39.284 39.000 0.008 0.000 1.024 399 F HN -0.054 nan 8.300 nan 0.000 0.495 400 K N 0.406 120.805 120.400 -0.002 0.000 2.896 400 K HA 0.401 4.759 4.320 0.063 0.000 0.210 400 K C -0.083 176.344 176.600 -0.288 0.000 1.116 400 K CA 0.140 56.341 56.287 -0.143 0.000 1.050 400 K CB 0.902 33.377 32.500 -0.042 0.000 0.812 400 K HN 0.128 nan 8.250 nan 0.000 0.462 401 G N -0.347 108.212 108.800 -0.403 0.000 2.766 401 G HA2 0.483 4.481 3.960 0.063 0.000 0.297 401 G HA3 0.483 4.481 3.960 0.063 0.000 0.297 401 G C -0.452 174.199 174.900 -0.414 0.000 1.431 401 G CA -0.609 44.250 45.100 -0.402 0.000 1.042 401 G HN 0.073 nan 8.290 nan 0.000 0.542 402 F N -0.158 119.739 119.950 -0.089 0.000 2.720 402 F HA 0.288 4.852 4.527 0.063 0.000 0.301 402 F C 1.535 177.309 175.800 -0.043 0.000 1.103 402 F CA -0.090 57.868 58.000 -0.070 0.000 1.291 402 F CB 0.659 39.586 39.000 -0.121 0.000 1.086 402 F HN 0.507 nan 8.300 nan 0.000 0.592 403 Q N 1.902 121.759 119.800 0.095 0.000 2.457 403 Q HA -0.162 4.216 4.340 0.063 0.000 0.333 403 Q C -1.610 174.455 176.000 0.109 0.000 1.448 403 Q CA -0.216 55.634 55.803 0.078 0.000 0.891 403 Q CB -0.874 27.897 28.738 0.054 0.000 1.142 403 Q HN 0.161 nan 8.270 nan 0.000 0.375 404 V N 1.527 121.524 119.914 0.137 0.000 2.398 404 V HA 0.722 4.880 4.120 0.063 0.000 0.286 404 V C 0.691 176.898 176.094 0.188 0.000 1.026 404 V CA -0.251 62.146 62.300 0.161 0.000 0.868 404 V CB 1.483 33.356 31.823 0.083 0.000 0.982 404 V HN 0.566 nan 8.190 nan 0.000 0.443 405 A N 6.799 129.714 122.820 0.158 0.000 2.567 405 A HA 0.292 4.650 4.320 0.063 0.000 0.240 405 A C -1.160 176.272 177.584 -0.253 0.000 1.053 405 A CA -0.544 51.502 52.037 0.015 0.000 0.755 405 A CB -0.176 18.862 19.000 0.063 0.000 0.978 405 A HN 0.741 nan 8.150 nan 0.000 0.507 406 P HA -0.185 nan 4.420 nan 0.000 0.217 406 P C 0.776 177.664 177.300 -0.686 0.000 1.148 406 P CA 1.661 64.226 63.100 -0.892 0.000 0.828 406 P CB 0.130 31.589 31.700 -0.402 0.000 0.783 407 E N -1.792 118.120 120.200 -0.481 0.000 2.204 407 E HA -0.180 4.208 4.350 0.063 0.000 0.195 407 E C 1.475 177.863 176.600 -0.354 0.000 0.990 407 E CA 1.037 57.182 56.400 -0.425 0.000 0.821 407 E CB -0.808 28.582 29.700 -0.517 0.000 0.750 407 E HN 0.513 nan 8.360 nan 0.000 0.477 408 H N -1.090 117.945 119.070 -0.058 0.000 2.551 408 H HA 0.188 4.782 4.556 0.063 0.000 0.271 408 H C 0.972 176.444 175.328 0.239 0.000 0.984 408 H CA 0.266 56.367 56.048 0.089 0.000 1.164 408 H CB -0.043 29.798 29.762 0.131 0.000 1.437 408 H HN 0.450 nan 8.280 nan 0.000 0.550 409 H N 0.689 119.839 119.070 0.133 0.000 2.489 409 H HA -0.045 4.549 4.556 0.063 0.000 0.295 409 H C 0.794 176.272 175.328 0.251 0.000 1.082 409 H CA 0.505 56.616 56.048 0.104 0.000 1.295 409 H CB 0.493 30.277 29.762 0.036 0.000 1.380 409 H HN 0.234 nan 8.280 nan 0.000 0.548 410 N N 0.904 119.803 118.700 0.330 0.000 2.214 410 N HA -0.002 4.776 4.740 0.063 0.000 0.214 410 N C -0.499 175.132 175.510 0.200 0.000 1.132 410 N CA 0.029 53.237 53.050 0.263 0.000 0.856 410 N CB 0.371 38.974 38.487 0.192 0.000 1.020 410 N HN 0.256 nan 8.380 nan 0.000 0.509 411 D N 1.683 122.201 120.400 0.196 0.000 2.474 411 D HA -0.018 4.660 4.640 0.063 0.000 0.232 411 D C 0.176 176.437 176.300 -0.064 0.000 1.177 411 D CA 1.177 55.164 54.000 -0.022 0.000 0.876 411 D CB 0.366 41.188 40.800 0.037 0.000 1.208 411 D HN 0.420 nan 8.370 nan 0.000 0.464 412 H N -1.938 117.145 119.070 0.021 0.000 3.079 412 H HA 0.613 5.207 4.556 0.063 0.000 0.356 412 H C -1.372 173.968 175.328 0.019 0.000 1.221 412 H CA -1.232 54.822 56.048 0.011 0.000 1.185 412 H CB 0.864 30.652 29.762 0.045 0.000 1.882 412 H HN 0.060 nan 8.280 nan 0.000 0.543 413 K N 1.569 122.090 120.400 0.202 0.000 2.426 413 K HA 0.464 4.822 4.320 0.063 0.000 0.254 413 K C -0.852 175.887 176.600 0.232 0.000 0.936 413 K CA -0.398 55.994 56.287 0.176 0.000 0.801 413 K CB 1.643 34.195 32.500 0.087 0.000 1.139 413 K HN 0.814 nan 8.250 nan 0.000 0.424 414 T N 4.245 118.904 114.554 0.176 0.000 2.898 414 T HA 0.454 4.842 4.350 0.063 0.000 0.301 414 T C -0.336 174.485 174.700 0.202 0.000 1.049 414 T CA 0.070 62.226 62.100 0.093 0.000 1.095 414 T CB -0.077 68.802 68.868 0.018 0.000 0.976 414 T HN 0.481 nan 8.240 nan 0.000 0.539 415 F N -0.346 119.615 119.950 0.018 0.000 2.668 415 F HA 0.719 5.284 4.527 0.063 0.000 0.309 415 F C -1.503 174.343 175.800 0.076 0.000 1.117 415 F CA -1.657 56.358 58.000 0.025 0.000 0.951 415 F CB 1.155 40.147 39.000 -0.014 0.000 1.323 415 F HN 0.475 nan 8.300 nan 0.000 0.451 416 I N 2.828 123.526 120.570 0.212 0.000 2.339 416 I HA 0.463 4.671 4.170 0.063 0.000 0.290 416 I C -1.859 174.471 176.117 0.355 0.000 0.994 416 I CA -0.868 60.523 61.300 0.151 0.000 1.191 416 I CB 1.141 39.185 38.000 0.074 0.000 1.343 416 I HN 0.748 nan 8.210 nan 0.000 0.458 417 Y N 7.241 127.702 120.300 0.268 0.000 2.338 417 Y HA 0.290 4.878 4.550 0.063 0.000 0.333 417 Y C 0.095 176.143 175.900 0.248 0.000 0.968 417 Y CA -0.750 57.542 58.100 0.320 0.000 1.123 417 Y CB 0.914 39.661 38.460 0.479 0.000 1.165 417 Y HN 0.740 nan 8.280 nan 0.000 0.452 418 D N 5.014 125.164 120.400 -0.417 0.000 2.697 418 D HA -0.294 4.384 4.640 0.063 0.000 0.238 418 D C -0.248 176.022 176.300 -0.050 0.000 1.152 418 D CA 1.650 55.491 54.000 -0.265 0.000 0.666 418 D CB -1.127 39.512 40.800 -0.268 0.000 1.037 418 D HN 0.881 nan 8.370 nan 0.000 0.423 419 N N -0.849 117.830 118.700 -0.034 0.000 2.693 419 N HA -0.226 4.552 4.740 0.063 0.000 0.249 419 N C -0.329 175.165 175.510 -0.026 0.000 1.119 419 N CA 1.610 54.648 53.050 -0.020 0.000 0.717 419 N CB -1.692 36.778 38.487 -0.029 0.000 1.071 419 N HN 0.747 nan 8.380 nan 0.000 0.555 420 T N -2.847 111.702 114.554 -0.008 0.000 2.893 420 T HA 0.587 4.975 4.350 0.063 0.000 0.293 420 T C -0.338 174.231 174.700 -0.219 0.000 1.027 420 T CA -0.872 61.155 62.100 -0.122 0.000 0.988 420 T CB 2.706 71.492 68.868 -0.137 0.000 1.043 420 T HN -0.084 nan 8.240 nan 0.000 0.461 421 E N 1.514 121.503 120.200 -0.352 0.000 2.283 421 E HA 0.643 5.030 4.350 0.063 0.000 0.278 421 E C -1.159 175.033 176.600 -0.680 0.000 1.027 421 E CA -0.177 55.992 56.400 -0.385 0.000 0.843 421 E CB 0.730 30.278 29.700 -0.253 0.000 1.062 421 E HN 0.575 nan 8.360 nan 0.000 0.401 422 F N 0.238 119.806 119.950 -0.636 0.000 2.620 422 F HA 0.505 5.070 4.527 0.063 0.000 0.320 422 F C -0.035 175.329 175.800 -0.727 0.000 1.069 422 F CA -0.838 56.725 58.000 -0.728 0.000 0.953 422 F CB 2.356 40.708 39.000 -1.080 0.000 1.322 422 F HN 0.122 nan 8.300 nan 0.000 0.479 423 T N 2.984 117.480 114.554 -0.096 0.000 2.812 423 T HA 0.526 4.914 4.350 0.063 0.000 0.282 423 T C -1.140 173.683 174.700 0.205 0.000 0.990 423 T CA -0.446 61.673 62.100 0.032 0.000 0.960 423 T CB 1.448 70.309 68.868 -0.011 0.000 0.948 423 T HN 0.214 nan 8.240 nan 0.000 0.438 424 L N 2.921 124.334 121.223 0.316 0.000 2.344 424 L HA 0.903 5.281 4.340 0.063 0.000 0.272 424 L C -0.058 176.887 176.870 0.124 0.000 1.035 424 L CA -0.111 54.854 54.840 0.209 0.000 0.807 424 L CB 1.115 43.223 42.059 0.081 0.000 1.237 424 L HN 0.904 nan 8.230 nan 0.000 0.442 425 A N 1.222 124.086 122.820 0.072 0.000 2.567 425 A HA 0.522 4.880 4.320 0.063 0.000 0.289 425 A C -1.197 176.384 177.584 -0.004 0.000 1.177 425 A CA -0.695 51.362 52.037 0.034 0.000 0.694 425 A CB 0.715 19.797 19.000 0.137 0.000 1.292 425 A HN 0.674 nan 8.150 nan 0.000 0.425 426 H N 0.039 119.194 119.070 0.142 0.000 3.070 426 H HA 0.314 4.908 4.556 0.063 0.000 0.313 426 H C 1.469 176.890 175.328 0.155 0.000 0.997 426 H CA 2.003 58.167 56.048 0.193 0.000 1.438 426 H CB 0.550 30.469 29.762 0.262 0.000 1.455 426 H HN 1.679 nan 8.280 nan 0.000 0.575 427 G N 3.077 111.947 108.800 0.115 0.000 2.175 427 G HA2 -0.296 3.702 3.960 0.063 0.000 0.244 427 G HA3 -0.296 3.702 3.960 0.063 0.000 0.244 427 G C 0.433 175.193 174.900 -0.232 0.000 0.982 427 G CA 0.186 45.026 45.100 -0.434 0.000 0.641 427 G HN 0.592 nan 8.290 nan 0.000 0.527 428 S N 0.186 115.851 115.700 -0.059 0.000 2.537 428 S HA 0.391 4.899 4.470 0.063 0.000 0.286 428 S C 0.850 175.436 174.600 -0.023 0.000 1.299 428 S CA -0.062 58.137 58.200 -0.002 0.000 1.067 428 S CB 1.486 64.723 63.200 0.062 0.000 0.864 428 S HN 0.706 nan 8.310 nan 0.000 0.494 429 V N 5.387 125.296 119.914 -0.007 0.000 2.470 429 V HA 0.107 4.265 4.120 0.063 0.000 0.276 429 V C 1.111 177.204 176.094 -0.001 0.000 1.040 429 V CA 0.009 62.301 62.300 -0.013 0.000 1.008 429 V CB 0.770 32.603 31.823 0.016 0.000 0.990 429 V HN 0.864 nan 8.190 nan 0.000 0.477 430 V N 2.839 122.735 119.914 -0.029 0.000 3.612 430 V HA 0.498 4.656 4.120 0.063 0.000 0.268 430 V C 0.444 176.466 176.094 -0.120 0.000 1.365 430 V CA 0.377 62.641 62.300 -0.061 0.000 1.044 430 V CB 0.152 31.923 31.823 -0.088 0.000 0.820 430 V HN 0.559 nan 8.190 nan 0.000 0.444 431 I N 1.567 122.085 120.570 -0.087 0.000 2.499 431 I HA 0.801 5.009 4.170 0.063 0.000 0.288 431 I C -0.583 175.526 176.117 -0.014 0.000 1.048 431 I CA -0.588 60.662 61.300 -0.083 0.000 1.062 431 I CB 1.978 39.932 38.000 -0.077 0.000 1.238 431 I HN 0.208 nan 8.210 nan 0.000 0.426 432 A N 5.348 128.164 122.820 -0.006 0.000 2.679 432 A HA 0.808 5.166 4.320 0.063 0.000 0.288 432 A C -0.842 176.835 177.584 0.155 0.000 1.160 432 A CA -0.396 51.709 52.037 0.114 0.000 0.763 432 A CB 1.066 20.178 19.000 0.187 0.000 1.270 432 A HN 0.740 nan 8.150 nan 0.000 0.417 433 A N 2.909 125.822 122.820 0.155 0.000 2.304 433 A HA 0.724 5.082 4.320 0.063 0.000 0.314 433 A C -0.455 177.231 177.584 0.171 0.000 1.187 433 A CA -0.367 51.753 52.037 0.137 0.000 0.810 433 A CB 0.350 19.384 19.000 0.056 0.000 1.183 433 A HN 0.731 nan 8.150 nan 0.000 0.487 434 I N 2.823 123.524 120.570 0.218 0.000 2.308 434 I HA 0.340 4.548 4.170 0.063 0.000 0.293 434 I C 0.542 176.702 176.117 0.071 0.000 1.078 434 I CA 0.299 61.671 61.300 0.120 0.000 1.292 434 I CB 0.877 38.926 38.000 0.082 0.000 1.423 434 I HN 0.649 nan 8.210 nan 0.000 0.493 435 T N 3.692 118.275 114.554 0.048 0.000 2.843 435 T HA 0.586 4.974 4.350 0.063 0.000 0.302 435 T C -0.887 173.822 174.700 0.016 0.000 1.232 435 T CA -0.344 61.769 62.100 0.022 0.000 1.009 435 T CB 1.579 70.457 68.868 0.017 0.000 1.254 435 T HN 0.670 nan 8.240 nan 0.000 0.504 436 S N 0.504 116.206 115.700 0.003 0.000 2.772 436 S HA -0.137 4.371 4.470 0.063 0.000 0.857 436 S C 1.399 176.011 174.600 0.021 0.000 0.842 436 S CA 0.184 58.383 58.200 -0.003 0.000 1.520 436 S CB -1.626 61.566 63.200 -0.015 0.000 1.093 436 S HN 1.924 nan 8.310 nan 0.000 0.224 437 C N 4.174 123.497 119.300 0.039 0.000 2.403 437 C HA -0.054 4.444 4.460 0.063 0.000 0.279 437 C C 2.659 177.688 174.990 0.065 0.000 1.269 437 C CA 1.826 60.894 59.018 0.083 0.000 1.774 437 C CB -2.394 25.436 27.740 0.150 0.000 1.993 437 C HN 0.991 nan 8.230 nan 0.000 0.496 438 T N 1.853 116.419 114.554 0.020 0.000 2.649 438 T HA -0.215 4.173 4.350 0.063 0.000 0.268 438 T C 1.580 176.290 174.700 0.016 0.000 1.036 438 T CA 2.383 64.481 62.100 -0.003 0.000 1.157 438 T CB -0.378 68.466 68.868 -0.040 0.000 0.861 438 T HN 0.725 nan 8.240 nan 0.000 0.445 439 N N -0.147 118.569 118.700 0.027 0.000 2.397 439 N HA 0.026 4.804 4.740 0.063 0.000 0.190 439 N C 2.056 177.600 175.510 0.057 0.000 1.099 439 N CA 1.097 54.168 53.050 0.036 0.000 0.876 439 N CB 0.105 38.611 38.487 0.032 0.000 1.143 439 N HN 0.575 nan 8.380 nan 0.000 0.468 440 T N -1.763 112.831 114.554 0.066 0.000 3.085 440 T HA 0.091 4.479 4.350 0.063 0.000 0.263 440 T C 1.644 176.424 174.700 0.133 0.000 1.127 440 T CA 0.639 62.790 62.100 0.086 0.000 1.103 440 T CB -0.157 68.751 68.868 0.066 0.000 0.921 440 T HN -0.143 nan 8.240 nan 0.000 0.510 441 S N 1.874 117.654 115.700 0.133 0.000 2.607 441 S HA 0.123 4.631 4.470 0.063 0.000 0.224 441 S C 0.719 175.429 174.600 0.183 0.000 0.969 441 S CA -0.131 58.176 58.200 0.179 0.000 0.927 441 S CB -0.356 62.934 63.200 0.150 0.000 0.772 441 S HN 0.532 nan 8.310 nan 0.000 0.533 442 N N 1.497 120.281 118.700 0.140 0.000 2.621 442 N HA 0.300 5.078 4.740 0.063 0.000 0.237 442 N C -2.518 173.057 175.510 0.109 0.000 0.997 442 N CA -2.221 50.887 53.050 0.097 0.000 0.918 442 N CB 1.492 40.000 38.487 0.036 0.000 1.122 442 N HN -0.114 nan 8.380 nan 0.000 0.510 443 P HA -0.047 nan 4.420 nan 0.000 0.221 443 P C 1.055 178.320 177.300 -0.058 0.000 1.145 443 P CA 0.933 64.011 63.100 -0.036 0.000 0.795 443 P CB 0.492 32.005 31.700 -0.310 0.000 0.775 444 S N -0.536 115.142 115.700 -0.037 0.000 2.370 444 S HA -0.123 4.385 4.470 0.063 0.000 0.226 444 S C 1.858 176.434 174.600 -0.041 0.000 1.033 444 S CA 1.802 59.976 58.200 -0.044 0.000 1.011 444 S CB -1.084 62.097 63.200 -0.033 0.000 0.852 444 S HN 0.143 nan 8.310 nan 0.000 0.457 445 V N -1.671 118.234 119.914 -0.015 0.000 2.992 445 V HA 0.107 4.265 4.120 0.063 0.000 0.250 445 V C 1.979 178.054 176.094 -0.032 0.000 1.090 445 V CA 0.485 62.768 62.300 -0.028 0.000 1.101 445 V CB -0.631 31.192 31.823 -0.001 0.000 0.743 445 V HN 0.244 nan 8.190 nan 0.000 0.468 446 M N 0.671 120.293 119.600 0.037 0.000 2.077 446 M HA 0.054 4.572 4.480 0.063 0.000 0.261 446 M C 2.261 178.599 176.300 0.063 0.000 1.070 446 M CA 1.795 57.145 55.300 0.083 0.000 1.125 446 M CB -1.311 31.431 32.600 0.237 0.000 1.339 446 M HN 0.349 nan 8.290 nan 0.000 0.409 447 L N -0.564 120.700 121.223 0.068 0.000 2.093 447 L HA -0.094 4.284 4.340 0.063 0.000 0.208 447 L C 2.621 179.427 176.870 -0.107 0.000 1.085 447 L CA 1.135 55.972 54.840 -0.006 0.000 0.755 447 L CB -1.271 40.757 42.059 -0.052 0.000 0.904 447 L HN 0.400 nan 8.230 nan 0.000 0.435 448 G N -0.081 108.633 108.800 -0.143 0.000 2.529 448 G HA2 -0.348 3.650 3.960 0.063 0.000 0.219 448 G HA3 -0.348 3.650 3.960 0.063 0.000 0.219 448 G C 1.758 176.457 174.900 -0.335 0.000 1.177 448 G CA 1.027 45.971 45.100 -0.260 0.000 0.773 448 G HN 0.481 nan 8.290 nan 0.000 0.573 449 A N 0.791 123.451 122.820 -0.266 0.000 1.883 449 A HA 0.122 4.480 4.320 0.063 0.000 0.217 449 A C 2.762 180.186 177.584 -0.265 0.000 1.186 449 A CA 2.279 54.138 52.037 -0.296 0.000 0.624 449 A CB -1.201 17.648 19.000 -0.252 0.000 0.822 449 A HN 0.643 nan 8.150 nan 0.000 0.444 450 G N -0.303 108.390 108.800 -0.179 0.000 2.418 450 G HA2 -0.166 3.832 3.960 0.063 0.000 0.217 450 G HA3 -0.166 3.832 3.960 0.063 0.000 0.217 450 G C 1.543 176.333 174.900 -0.183 0.000 1.158 450 G CA 1.067 46.084 45.100 -0.139 0.000 0.771 450 G HN 0.440 nan 8.290 nan 0.000 0.545 451 L N -0.185 120.911 121.223 -0.212 0.000 2.156 451 L HA 0.112 4.490 4.340 0.063 0.000 0.208 451 L C 2.691 179.395 176.870 -0.277 0.000 1.095 451 L CA 0.311 55.008 54.840 -0.237 0.000 0.770 451 L CB -0.282 41.650 42.059 -0.212 0.000 0.914 451 L HN 0.226 nan 8.230 nan 0.000 0.439 452 L N -0.205 120.822 121.223 -0.326 0.000 2.056 452 L HA -0.160 4.218 4.340 0.063 0.000 0.207 452 L C 2.771 179.495 176.870 -0.242 0.000 1.078 452 L CA 1.384 56.024 54.840 -0.332 0.000 0.749 452 L CB -0.258 41.524 42.059 -0.462 0.000 0.901 452 L HN 0.197 nan 8.230 nan 0.000 0.433 453 A N 0.424 123.110 122.820 -0.224 0.000 1.873 453 A HA -0.336 4.022 4.320 0.063 0.000 0.218 453 A C 2.325 179.835 177.584 -0.124 0.000 1.193 453 A CA 2.376 54.333 52.037 -0.134 0.000 0.629 453 A CB -0.687 18.262 19.000 -0.085 0.000 0.826 453 A HN 0.529 nan 8.150 nan 0.000 0.447 454 K N -0.217 120.006 120.400 -0.295 0.000 2.032 454 K HA -0.173 4.184 4.320 0.063 0.000 0.209 454 K C 2.093 178.454 176.600 -0.398 0.000 1.048 454 K CA 1.826 57.697 56.287 -0.694 0.000 0.927 454 K CB -0.191 31.740 32.500 -0.947 0.000 0.712 454 K HN 0.389 nan 8.250 nan 0.000 0.441 455 K N 0.108 120.346 120.400 -0.270 0.000 2.009 455 K HA -0.167 4.191 4.320 0.063 0.000 0.210 455 K C 2.253 178.792 176.600 -0.101 0.000 1.049 455 K CA 1.462 57.650 56.287 -0.165 0.000 0.929 455 K CB -0.362 32.055 32.500 -0.138 0.000 0.714 455 K HN 0.311 nan 8.250 nan 0.000 0.440 456 A N 1.130 123.896 122.820 -0.091 0.000 1.883 456 A HA -0.155 4.203 4.320 0.063 0.000 0.217 456 A C 2.443 180.026 177.584 -0.001 0.000 1.186 456 A CA 1.737 53.749 52.037 -0.042 0.000 0.624 456 A CB -0.812 18.161 19.000 -0.045 0.000 0.822 456 A HN 0.101 nan 8.150 nan 0.000 0.444 457 V N 0.730 120.662 119.914 0.031 0.000 2.295 457 V HA -0.260 3.898 4.120 0.063 0.000 0.246 457 V C 2.169 178.318 176.094 0.091 0.000 1.049 457 V CA 2.399 64.765 62.300 0.111 0.000 1.024 457 V CB -0.831 31.169 31.823 0.296 0.000 0.648 457 V HN 0.534 nan 8.190 nan 0.000 0.447 458 D N 0.442 120.879 120.400 0.061 0.000 2.182 458 D HA -0.120 4.558 4.640 0.063 0.000 0.201 458 D C 1.948 178.262 176.300 0.023 0.000 0.986 458 D CA 1.554 55.580 54.000 0.044 0.000 0.847 458 D CB -0.219 40.577 40.800 -0.006 0.000 0.942 458 D HN 0.492 nan 8.370 nan 0.000 0.467 459 A N -0.183 122.643 122.820 0.009 0.000 2.238 459 A HA 0.386 4.744 4.320 0.063 0.000 0.208 459 A C 1.606 179.198 177.584 0.013 0.000 1.177 459 A CA 0.898 52.940 52.037 0.008 0.000 0.804 459 A CB -0.270 18.730 19.000 -0.001 0.000 0.823 459 A HN 0.227 nan 8.150 nan 0.000 0.482 460 G N -0.824 107.990 108.800 0.023 0.000 2.212 460 G HA2 -0.193 3.805 3.960 0.063 0.000 0.255 460 G HA3 -0.193 3.805 3.960 0.063 0.000 0.255 460 G C -0.125 174.788 174.900 0.021 0.000 1.062 460 G CA 0.361 45.476 45.100 0.024 0.000 0.815 460 G HN 0.442 nan 8.290 nan 0.000 0.497 461 L N -0.429 120.808 121.223 0.023 0.000 2.344 461 L HA 0.614 4.992 4.340 0.063 0.000 0.272 461 L C 0.585 177.475 176.870 0.034 0.000 1.035 461 L CA -0.923 53.930 54.840 0.022 0.000 0.807 461 L CB 1.698 43.764 42.059 0.011 0.000 1.237 461 L HN 0.266 nan 8.230 nan 0.000 0.442 462 N N -0.360 118.362 118.700 0.036 0.000 2.455 462 N HA 0.519 5.297 4.740 0.063 0.000 0.278 462 N C -1.637 173.893 175.510 0.033 0.000 1.291 462 N CA -0.656 52.419 53.050 0.041 0.000 0.780 462 N CB 3.005 41.519 38.487 0.045 0.000 1.520 462 N HN 0.114 nan 8.380 nan 0.000 0.486 463 V N 2.309 122.236 119.914 0.021 0.000 2.394 463 V HA 0.323 4.481 4.120 0.063 0.000 0.282 463 V C 0.515 176.548 176.094 -0.102 0.000 1.031 463 V CA -0.525 61.759 62.300 -0.026 0.000 0.881 463 V CB 1.282 33.106 31.823 0.002 0.000 0.982 463 V HN 0.670 nan 8.190 nan 0.000 0.451 464 M N 7.400 126.883 119.600 -0.196 0.000 2.251 464 M HA 0.090 4.608 4.480 0.063 0.000 0.343 464 M C -1.160 174.826 176.300 -0.524 0.000 1.245 464 M CA -0.827 54.269 55.300 -0.340 0.000 1.061 464 M CB 0.678 32.938 32.600 -0.566 0.000 1.723 464 M HN 0.428 nan 8.290 nan 0.000 0.449 465 P HA -0.115 nan 4.420 nan 0.000 0.236 465 P C 0.569 177.656 177.300 -0.356 0.000 1.177 465 P CA 1.221 64.230 63.100 -0.152 0.000 0.773 465 P CB -0.269 31.538 31.700 0.179 0.000 0.878 466 Y N -0.995 118.915 120.300 -0.650 0.000 2.546 466 Y HA 0.266 4.854 4.550 0.063 0.000 0.287 466 Y C 0.985 176.526 175.900 -0.597 0.000 1.158 466 Y CA -0.996 56.481 58.100 -1.039 0.000 1.307 466 Y CB -1.299 36.650 38.460 -0.853 0.000 1.036 466 Y HN -0.246 nan 8.280 nan 0.000 0.532 467 I N 2.971 123.042 120.570 -0.831 0.000 2.496 467 I HA 0.023 4.231 4.170 0.063 0.000 0.285 467 I C 0.497 176.402 176.117 -0.353 0.000 1.080 467 I CA -0.134 60.847 61.300 -0.533 0.000 1.404 467 I CB 0.965 38.649 38.000 -0.527 0.000 1.403 467 I HN 0.110 nan 8.210 nan 0.000 0.539 468 K N 6.483 126.725 120.400 -0.264 0.000 2.111 468 K HA 0.120 4.478 4.320 0.063 0.000 0.249 468 K C -0.051 176.393 176.600 -0.260 0.000 1.157 468 K CA -0.306 55.841 56.287 -0.233 0.000 1.048 468 K CB 0.016 32.398 32.500 -0.196 0.000 1.498 468 K HN 0.713 nan 8.250 nan 0.000 0.344 469 T N -0.293 114.032 114.554 -0.382 0.000 2.910 469 T HA 0.391 4.779 4.350 0.063 0.000 0.293 469 T C -0.035 174.342 174.700 -0.538 0.000 1.015 469 T CA -0.787 60.919 62.100 -0.657 0.000 1.094 469 T CB 1.392 69.566 68.868 -1.157 0.000 0.968 469 T HN 0.404 nan 8.240 nan 0.000 0.521 470 S N 1.553 116.982 115.700 -0.452 0.000 2.547 470 S HA 0.619 5.127 4.470 0.063 0.000 0.270 470 S C -1.604 173.022 174.600 0.042 0.000 1.150 470 S CA -1.145 56.941 58.200 -0.189 0.000 0.850 470 S CB 1.571 64.710 63.200 -0.102 0.000 1.118 470 S HN 0.885 nan 8.310 nan 0.000 0.461 471 L N 1.502 122.750 121.223 0.041 0.000 2.372 471 L HA 0.790 5.168 4.340 0.063 0.000 0.274 471 L C -0.976 175.858 176.870 -0.059 0.000 0.988 471 L CA -0.066 54.816 54.840 0.069 0.000 0.833 471 L CB 1.801 43.916 42.059 0.093 0.000 1.236 471 L HN 0.827 nan 8.230 nan 0.000 0.410 472 S N 6.381 122.046 115.700 -0.057 0.000 2.252 472 S HA 0.485 4.993 4.470 0.063 0.000 0.187 472 S C -2.581 171.970 174.600 -0.080 0.000 1.587 472 S CA -0.877 57.254 58.200 -0.114 0.000 1.215 472 S CB 0.628 63.783 63.200 -0.074 0.000 1.085 472 S HN 0.490 nan 8.310 nan 0.000 0.466 473 P HA 0.226 nan 4.420 nan 0.000 0.272 473 P C 0.900 178.279 177.300 0.131 0.000 1.223 473 P CA -0.181 62.937 63.100 0.030 0.000 0.784 473 P CB 0.546 32.296 31.700 0.084 0.000 0.923 474 G N 0.033 108.906 108.800 0.121 0.000 2.985 474 G HA2 0.247 4.245 3.960 0.063 0.000 0.209 474 G HA3 0.247 4.245 3.960 0.063 0.000 0.209 474 G C 0.083 175.067 174.900 0.141 0.000 1.165 474 G CA 0.347 45.523 45.100 0.127 0.000 0.776 474 G HN 0.690 nan 8.290 nan 0.000 0.541 475 S N -2.953 112.827 115.700 0.133 0.000 2.615 475 S HA 0.497 5.005 4.470 0.063 0.000 0.268 475 S C 0.841 175.354 174.600 -0.144 0.000 1.146 475 S CA 0.353 58.538 58.200 -0.025 0.000 0.818 475 S CB 0.965 64.191 63.200 0.044 0.000 1.111 475 S HN 0.363 nan 8.310 nan 0.000 0.465 476 G N 0.311 108.836 108.800 -0.459 0.000 2.650 476 G HA2 0.121 4.119 3.960 0.063 0.000 0.214 476 G HA3 0.121 4.119 3.960 0.063 0.000 0.214 476 G C 1.051 175.783 174.900 -0.280 0.000 1.136 476 G CA 0.775 45.572 45.100 -0.505 0.000 0.789 476 G HN 0.745 nan 8.290 nan 0.000 0.536 477 V N 0.669 120.404 119.914 -0.300 0.000 2.490 477 V HA -0.167 3.991 4.120 0.063 0.000 0.250 477 V C 2.931 178.802 176.094 -0.372 0.000 1.061 477 V CA 1.272 63.383 62.300 -0.314 0.000 1.064 477 V CB -0.185 31.320 31.823 -0.531 0.000 0.670 477 V HN 0.261 nan 8.190 nan 0.000 0.461 478 V N 0.102 119.777 119.914 -0.400 0.000 2.255 478 V HA -0.292 3.866 4.120 0.063 0.000 0.247 478 V C 2.572 178.225 176.094 -0.734 0.000 1.051 478 V CA 2.748 64.566 62.300 -0.803 0.000 1.018 478 V CB -1.149 30.485 31.823 -0.316 0.000 0.641 478 V HN 0.608 nan 8.190 nan 0.000 0.445 479 T N -1.036 113.356 114.554 -0.269 0.000 2.833 479 T HA -0.208 4.180 4.350 0.063 0.000 0.269 479 T C 1.814 176.449 174.700 -0.109 0.000 1.054 479 T CA 1.714 63.731 62.100 -0.137 0.000 1.135 479 T CB -0.364 68.519 68.868 0.025 0.000 0.869 479 T HN 0.460 nan 8.240 nan 0.000 0.466 480 Y N 2.030 122.174 120.300 -0.261 0.000 2.163 480 Y HA -0.152 4.436 4.550 0.064 0.000 0.288 480 Y C 2.187 178.029 175.900 -0.096 0.000 1.136 480 Y CA 0.599 58.597 58.100 -0.170 0.000 1.147 480 Y CB -0.920 37.430 38.460 -0.183 0.000 0.987 480 Y HN 0.521 nan 8.280 nan 0.000 0.509 481 Y N -1.795 118.553 120.300 0.080 0.000 2.395 481 Y HA 0.031 4.619 4.550 0.063 0.000 0.293 481 Y C 1.915 177.772 175.900 -0.071 0.000 1.123 481 Y CA 0.728 58.821 58.100 -0.011 0.000 1.227 481 Y CB -1.436 37.006 38.460 -0.030 0.000 1.012 481 Y HN 0.037 nan 8.280 nan 0.000 0.552 482 L N 0.189 121.400 121.223 -0.019 0.000 2.201 482 L HA -0.157 4.221 4.340 0.063 0.000 0.212 482 L C 2.465 179.313 176.870 -0.037 0.000 1.105 482 L CA 1.440 56.273 54.840 -0.012 0.000 0.775 482 L CB -0.505 41.505 42.059 -0.081 0.000 0.913 482 L HN 0.296 nan 8.230 nan 0.000 0.440 483 Q N -0.641 119.146 119.800 -0.023 0.000 2.089 483 Q HA -0.127 4.251 4.340 0.063 0.000 0.195 483 Q C 2.187 178.172 176.000 -0.024 0.000 0.963 483 Q CA 0.793 56.584 55.803 -0.019 0.000 0.834 483 Q CB 0.105 28.832 28.738 -0.019 0.000 0.906 483 Q HN 0.322 nan 8.270 nan 0.000 0.452 484 E N 0.598 120.811 120.200 0.023 0.000 2.118 484 E HA -0.162 4.226 4.350 0.063 0.000 0.195 484 E C 2.052 178.442 176.600 -0.349 0.000 0.992 484 E CA 1.625 58.031 56.400 0.010 0.000 0.804 484 E CB -0.207 29.608 29.700 0.192 0.000 0.741 484 E HN 0.332 nan 8.360 nan 0.000 0.458 485 S N -0.983 114.287 115.700 -0.717 0.000 2.561 485 S HA 0.114 4.622 4.470 0.063 0.000 0.225 485 S C 1.657 176.011 174.600 -0.410 0.000 0.977 485 S CA 0.873 58.358 58.200 -1.192 0.000 0.926 485 S CB 0.144 62.819 63.200 -0.874 0.000 0.769 485 S HN 0.340 nan 8.310 nan 0.000 0.533 486 G N 0.289 108.980 108.800 -0.182 0.000 2.179 486 G HA2 -0.301 3.697 3.960 0.063 0.000 0.260 486 G HA3 -0.301 3.697 3.960 0.063 0.000 0.260 486 G C 0.708 175.671 174.900 0.104 0.000 0.977 486 G CA 0.296 45.391 45.100 -0.009 0.000 0.641 486 G HN 0.662 nan 8.290 nan 0.000 0.533 487 V N 0.502 120.434 119.914 0.030 0.000 2.871 487 V HA 0.009 4.167 4.120 0.063 0.000 0.256 487 V C 2.571 178.753 176.094 0.147 0.000 1.082 487 V CA 2.375 64.740 62.300 0.109 0.000 1.105 487 V CB -0.079 31.731 31.823 -0.022 0.000 0.713 487 V HN 0.517 nan 8.190 nan 0.000 0.473 488 M N 1.097 120.730 119.600 0.055 0.000 2.159 488 M HA -0.036 4.482 4.480 0.063 0.000 0.263 488 M C -0.488 175.821 176.300 0.014 0.000 1.063 488 M CA 2.217 57.530 55.300 0.022 0.000 1.110 488 M CB -1.269 31.321 32.600 -0.017 0.000 1.374 488 M HN 0.185 nan 8.290 nan 0.000 0.411 489 P HA -0.135 nan 4.420 nan 0.000 0.218 489 P C 0.681 177.885 177.300 -0.160 0.000 1.148 489 P CA 1.506 64.515 63.100 -0.152 0.000 0.822 489 P CB -0.278 31.242 31.700 -0.299 0.000 0.784 490 Y N -1.300 118.984 120.300 -0.025 0.000 2.286 490 Y HA -0.018 4.570 4.550 0.063 0.000 0.293 490 Y C 2.325 178.221 175.900 -0.007 0.000 1.124 490 Y CA 0.566 58.653 58.100 -0.022 0.000 1.178 490 Y CB -1.174 37.261 38.460 -0.041 0.000 1.010 490 Y HN -0.185 nan 8.280 nan 0.000 0.536 491 L N -0.805 120.506 121.223 0.147 0.000 1.989 491 L HA -0.301 4.077 4.340 0.063 0.000 0.211 491 L C 2.477 179.442 176.870 0.158 0.000 1.071 491 L CA 1.648 56.558 54.840 0.116 0.000 0.749 491 L CB -0.740 41.359 42.059 0.066 0.000 0.890 491 L HN 0.141 nan 8.230 nan 0.000 0.431 492 S N -0.800 114.947 115.700 0.078 0.000 2.365 492 S HA -0.340 4.168 4.470 0.063 0.000 0.225 492 S C 1.902 176.524 174.600 0.037 0.000 1.039 492 S CA 1.849 60.072 58.200 0.039 0.000 1.033 492 S CB -0.381 62.811 63.200 -0.014 0.000 0.887 492 S HN 0.471 nan 8.310 nan 0.000 0.447 493 Q N 0.441 120.259 119.800 0.030 0.000 2.224 493 Q HA 0.023 4.401 4.340 0.063 0.000 0.203 493 Q C 1.668 177.704 176.000 0.059 0.000 0.970 493 Q CA 0.879 56.696 55.803 0.024 0.000 0.865 493 Q CB -0.122 28.619 28.738 0.005 0.000 0.922 493 Q HN 0.495 nan 8.270 nan 0.000 0.445 494 L N -0.819 120.479 121.223 0.124 0.000 2.599 494 L HA 0.168 4.546 4.340 0.063 0.000 0.230 494 L C 1.084 178.042 176.870 0.147 0.000 1.141 494 L CA 0.588 55.536 54.840 0.180 0.000 0.877 494 L CB 0.133 42.345 42.059 0.256 0.000 1.009 494 L HN 0.557 nan 8.230 nan 0.000 0.447 495 G N -0.582 108.244 108.800 0.043 0.000 2.144 495 G HA2 -0.284 3.714 3.960 0.063 0.000 0.218 495 G HA3 -0.284 3.714 3.960 0.063 0.000 0.218 495 G C 0.146 174.834 174.900 -0.353 0.000 0.988 495 G CA -0.465 44.529 45.100 -0.176 0.000 0.659 495 G HN 0.250 nan 8.290 nan 0.000 0.522 496 F N 2.308 122.233 119.950 -0.041 0.000 2.916 496 F HA 0.321 4.886 4.527 0.063 0.000 0.294 496 F C 0.913 176.680 175.800 -0.055 0.000 1.189 496 F CA -1.308 56.664 58.000 -0.047 0.000 1.369 496 F CB 0.209 39.183 39.000 -0.043 0.000 0.961 496 F HN -0.021 nan 8.300 nan 0.000 0.508 497 D N 0.805 121.218 120.400 0.021 0.000 2.478 497 D HA -0.023 4.654 4.640 0.063 0.000 0.234 497 D C 0.365 176.640 176.300 -0.042 0.000 1.154 497 D CA 0.413 54.404 54.000 -0.015 0.000 0.874 497 D CB 1.577 42.354 40.800 -0.040 0.000 1.198 497 D HN -0.136 nan 8.370 nan 0.000 0.455 498 V N 2.480 122.348 119.914 -0.076 0.000 2.599 498 V HA -0.046 4.112 4.120 0.063 0.000 0.300 498 V C 1.541 177.537 176.094 -0.164 0.000 1.034 498 V CA 0.111 62.313 62.300 -0.164 0.000 1.115 498 V CB 1.109 32.787 31.823 -0.242 0.000 0.934 498 V HN 0.485 nan 8.190 nan 0.000 0.485 499 V N 1.638 121.445 119.914 -0.177 0.000 3.605 499 V HA 0.780 4.938 4.120 0.063 0.000 0.284 499 V C 0.656 176.667 176.094 -0.138 0.000 1.386 499 V CA 0.735 62.965 62.300 -0.116 0.000 1.053 499 V CB 0.021 31.805 31.823 -0.065 0.000 0.857 499 V HN 1.171 nan 8.190 nan 0.000 0.436 500 G N -0.764 107.865 108.800 -0.285 0.000 2.340 500 G HA2 0.402 4.400 3.960 0.063 0.000 0.300 500 G HA3 0.402 4.400 3.960 0.063 0.000 0.300 500 G C -1.874 172.762 174.900 -0.439 0.000 1.488 500 G CA -0.705 44.239 45.100 -0.261 0.000 0.878 500 G HN 0.096 nan 8.290 nan 0.000 0.618 501 Y N 0.868 121.151 120.300 -0.028 0.000 2.915 501 Y HA 0.628 5.216 4.550 0.063 0.000 0.350 501 Y C 0.977 176.848 175.900 -0.048 0.000 1.061 501 Y CA 0.349 58.422 58.100 -0.045 0.000 1.179 501 Y CB 1.465 39.887 38.460 -0.062 0.000 1.180 501 Y HN 1.005 nan 8.280 nan 0.000 0.605 502 G N -1.206 107.606 108.800 0.021 0.000 2.548 502 G HA2 0.234 4.231 3.960 0.063 0.000 0.301 502 G HA3 0.234 4.231 3.960 0.063 0.000 0.301 502 G C 0.075 174.916 174.900 -0.098 0.000 1.349 502 G CA -0.546 44.530 45.100 -0.040 0.000 0.792 502 G HN 0.402 nan 8.290 nan 0.000 0.481 503 C N -0.274 118.903 119.300 -0.206 0.000 2.413 503 C HA 0.069 4.567 4.460 0.063 0.000 0.277 503 C C 2.213 177.120 174.990 -0.138 0.000 1.228 503 C CA 1.550 60.427 59.018 -0.235 0.000 1.731 503 C CB -1.567 25.877 27.740 -0.494 0.000 2.042 503 C HN 0.785 nan 8.230 nan 0.000 0.468 504 M N -0.850 118.675 119.600 -0.125 0.000 7.319 504 M HA -0.363 4.155 4.480 0.063 0.000 0.298 504 M C 1.370 177.651 176.300 -0.031 0.000 0.480 504 M CA 2.241 57.506 55.300 -0.059 0.000 1.311 504 M CB -2.035 30.535 32.600 -0.049 0.000 0.421 504 M HN 0.325 nan 8.290 nan 0.000 0.605 505 T N 0.281 114.828 114.554 -0.012 0.000 2.833 505 T HA -0.137 4.251 4.350 0.063 0.000 0.269 505 T C 1.544 176.256 174.700 0.020 0.000 1.054 505 T CA 1.606 63.715 62.100 0.016 0.000 1.135 505 T CB -0.569 68.312 68.868 0.021 0.000 0.869 505 T HN 0.620 nan 8.240 nan 0.000 0.466 506 C N 0.901 120.200 119.300 -0.002 0.000 2.401 506 C HA -0.056 4.442 4.460 0.063 0.000 0.276 506 C C 2.246 177.254 174.990 0.031 0.000 1.233 506 C CA 0.509 59.529 59.018 0.003 0.000 1.753 506 C CB -1.133 26.591 27.740 -0.026 0.000 2.029 506 C HN 0.544 nan 8.230 nan 0.000 0.478 507 I N 0.047 120.625 120.570 0.014 0.000 3.875 507 I HA 0.307 4.515 4.170 0.063 0.000 0.329 507 I C 1.521 177.702 176.117 0.106 0.000 1.295 507 I CA 1.269 62.610 61.300 0.068 0.000 1.129 507 I CB -0.411 37.589 38.000 0.001 0.000 1.008 507 I HN 0.536 nan 8.210 nan 0.000 0.413 508 G N 0.930 109.780 108.800 0.084 0.000 2.176 508 G HA2 -0.298 3.700 3.960 0.063 0.000 0.253 508 G HA3 -0.298 3.700 3.960 0.063 0.000 0.253 508 G C 0.454 175.403 174.900 0.082 0.000 0.979 508 G CA 0.178 45.334 45.100 0.093 0.000 0.641 508 G HN 0.350 nan 8.290 nan 0.000 0.530 509 N N 1.353 120.089 118.700 0.060 0.000 3.210 509 N HA 0.307 5.085 4.740 0.063 0.000 0.314 509 N C 1.623 177.157 175.510 0.040 0.000 1.291 509 N CA 0.749 53.829 53.050 0.049 0.000 1.202 509 N CB 0.359 38.856 38.487 0.016 0.000 1.475 509 N HN 0.604 nan 8.380 nan 0.000 0.554 510 S N -1.704 114.035 115.700 0.066 0.000 2.535 510 S HA 0.294 4.802 4.470 0.063 0.000 0.214 510 S C 1.151 175.802 174.600 0.086 0.000 0.980 510 S CA 0.005 58.254 58.200 0.083 0.000 0.907 510 S CB 0.104 63.392 63.200 0.148 0.000 0.790 510 S HN 0.482 nan 8.310 nan 0.000 0.510 511 G N 2.461 111.303 108.800 0.070 0.000 2.796 511 G HA2 -0.135 3.863 3.960 0.063 0.000 0.226 511 G HA3 -0.135 3.863 3.960 0.063 0.000 0.226 511 G C -3.128 171.832 174.900 0.100 0.000 1.381 511 G CA -0.549 44.568 45.100 0.028 0.000 0.867 511 G HN 0.411 nan 8.290 nan 0.000 0.552 512 P HA 0.471 nan 4.420 nan 0.000 0.275 512 P C 0.250 177.566 177.300 0.027 0.000 1.228 512 P CA -0.330 62.818 63.100 0.081 0.000 0.786 512 P CB 0.797 32.485 31.700 -0.021 0.000 0.927 513 L N 3.637 124.873 121.223 0.022 0.000 2.421 513 L HA 0.361 4.739 4.340 0.063 0.000 0.263 513 L C -1.832 175.009 176.870 -0.048 0.000 1.122 513 L CA -2.121 52.647 54.840 -0.120 0.000 0.804 513 L CB 0.252 42.170 42.059 -0.235 0.000 1.150 513 L HN 0.215 nan 8.230 nan 0.000 0.457 514 P HA -0.052 nan 4.420 nan 0.000 0.264 514 P C 0.475 177.786 177.300 0.019 0.000 1.183 514 P CA 0.022 63.153 63.100 0.051 0.000 0.763 514 P CB 0.530 32.290 31.700 0.100 0.000 0.807 515 E N 4.593 124.825 120.200 0.055 0.000 2.070 515 E HA -0.203 4.185 4.350 0.063 0.000 0.197 515 E C -0.914 175.689 176.600 0.005 0.000 1.004 515 E CA 2.118 58.534 56.400 0.026 0.000 0.805 515 E CB -1.452 28.270 29.700 0.037 0.000 0.744 515 E HN 0.363 nan 8.360 nan 0.000 0.451 516 P HA -0.060 nan 4.420 nan 0.000 0.221 516 P C 1.609 178.761 177.300 -0.246 0.000 1.150 516 P CA 0.679 63.802 63.100 0.039 0.000 0.800 516 P CB 0.073 31.927 31.700 0.257 0.000 0.787 517 V N -0.604 119.078 119.914 -0.386 0.000 2.407 517 V HA -0.150 4.008 4.120 0.063 0.000 0.245 517 V C 2.452 178.317 176.094 -0.381 0.000 1.041 517 V CA 1.430 63.322 62.300 -0.679 0.000 1.040 517 V CB -1.102 30.388 31.823 -0.555 0.000 0.671 517 V HN -0.052 nan 8.190 nan 0.000 0.455 518 V N -0.137 119.655 119.914 -0.204 0.000 2.332 518 V HA -0.252 3.906 4.120 0.063 0.000 0.248 518 V C 2.564 178.597 176.094 -0.102 0.000 1.055 518 V CA 1.929 64.162 62.300 -0.111 0.000 1.038 518 V CB -0.652 31.146 31.823 -0.040 0.000 0.651 518 V HN 0.571 nan 8.190 nan 0.000 0.450 519 E N 0.386 120.529 120.200 -0.095 0.000 2.033 519 E HA -0.295 4.093 4.350 0.063 0.000 0.199 519 E C 2.406 178.962 176.600 -0.074 0.000 1.011 519 E CA 1.772 58.135 56.400 -0.060 0.000 0.815 519 E CB -0.466 29.217 29.700 -0.028 0.000 0.755 519 E HN 0.577 nan 8.360 nan 0.000 0.451 520 A N 1.239 123.982 122.820 -0.128 0.000 1.908 520 A HA -0.204 4.154 4.320 0.063 0.000 0.218 520 A C 2.281 179.798 177.584 -0.111 0.000 1.181 520 A CA 1.480 53.452 52.037 -0.109 0.000 0.627 520 A CB -0.755 18.128 19.000 -0.194 0.000 0.818 520 A HN 0.192 nan 8.150 nan 0.000 0.445 521 I N 0.082 120.565 120.570 -0.144 0.000 2.142 521 I HA -0.253 3.955 4.170 0.063 0.000 0.240 521 I C 2.850 178.928 176.117 -0.064 0.000 1.078 521 I CA 1.955 63.192 61.300 -0.105 0.000 1.343 521 I CB -0.748 37.194 38.000 -0.096 0.000 1.046 521 I HN 0.531 nan 8.210 nan 0.000 0.405 522 T N -1.708 112.815 114.554 -0.051 0.000 2.812 522 T HA -0.148 4.240 4.350 0.063 0.000 0.264 522 T C 1.822 176.504 174.700 -0.030 0.000 1.042 522 T CA 0.832 62.914 62.100 -0.030 0.000 1.140 522 T CB -0.418 68.438 68.868 -0.020 0.000 0.870 522 T HN 0.354 nan 8.240 nan 0.000 0.445 523 Q N 0.837 120.618 119.800 -0.033 0.000 2.167 523 Q HA 0.076 4.454 4.340 0.063 0.000 0.202 523 Q C 2.541 178.519 176.000 -0.036 0.000 0.970 523 Q CA 1.245 57.033 55.803 -0.026 0.000 0.855 523 Q CB -0.303 28.426 28.738 -0.014 0.000 0.911 523 Q HN 0.719 nan 8.270 nan 0.000 0.438 524 G N -0.331 108.439 108.800 -0.050 0.000 2.838 524 G HA2 -0.056 3.941 3.960 0.063 0.000 0.210 524 G HA3 -0.056 3.941 3.960 0.063 0.000 0.210 524 G C -0.364 174.487 174.900 -0.082 0.000 1.153 524 G CA 0.033 45.091 45.100 -0.071 0.000 0.778 524 G HN 0.348 nan 8.290 nan 0.000 0.539 525 D N -0.752 119.616 120.400 -0.053 0.000 2.705 525 D HA -0.128 4.550 4.640 0.063 0.000 0.240 525 D C 0.017 176.340 176.300 0.039 0.000 1.137 525 D CA 0.294 54.288 54.000 -0.011 0.000 0.677 525 D CB -1.131 39.658 40.800 -0.018 0.000 1.049 525 D HN 0.261 nan 8.370 nan 0.000 0.427 526 L N -0.281 120.918 121.223 -0.040 0.000 2.343 526 L HA 0.507 4.885 4.340 0.063 0.000 0.275 526 L C 0.641 177.551 176.870 0.068 0.000 1.056 526 L CA -1.175 53.600 54.840 -0.108 0.000 0.804 526 L CB 1.574 43.501 42.059 -0.219 0.000 1.203 526 L HN -0.172 nan 8.230 nan 0.000 0.440 527 V N 2.912 122.993 119.914 0.278 0.000 2.313 527 V HA 0.293 4.451 4.120 0.063 0.000 0.252 527 V C 0.661 176.797 176.094 0.070 0.000 1.112 527 V CA -0.365 61.968 62.300 0.054 0.000 0.984 527 V CB 0.312 32.042 31.823 -0.156 0.000 1.157 527 V HN 0.797 nan 8.190 nan 0.000 0.493 528 A N 5.067 127.887 122.820 -0.001 0.000 2.316 528 A HA 0.769 5.127 4.320 0.063 0.000 0.284 528 A C -0.346 177.236 177.584 -0.003 0.000 1.115 528 A CA -0.396 51.633 52.037 -0.013 0.000 0.812 528 A CB 1.105 20.081 19.000 -0.041 0.000 1.064 528 A HN 0.543 nan 8.150 nan 0.000 0.489 529 V N 1.531 121.437 119.914 -0.013 0.000 2.495 529 V HA 0.640 4.798 4.120 0.063 0.000 0.298 529 V C 0.756 176.862 176.094 0.020 0.000 1.031 529 V CA -0.148 62.163 62.300 0.019 0.000 0.871 529 V CB 1.742 33.537 31.823 -0.047 0.000 0.988 529 V HN 1.148 nan 8.190 nan 0.000 0.432 530 G N 3.266 112.100 108.800 0.058 0.000 2.343 530 G HA2 0.609 4.607 3.960 0.063 0.000 0.319 530 G HA3 0.609 4.607 3.960 0.063 0.000 0.319 530 G C -1.036 173.922 174.900 0.097 0.000 1.126 530 G CA -0.393 44.739 45.100 0.053 0.000 0.889 530 G HN 0.562 nan 8.290 nan 0.000 0.457 531 V N 3.241 123.210 119.914 0.092 0.000 2.448 531 V HA 0.719 4.877 4.120 0.063 0.000 0.295 531 V C 0.045 176.217 176.094 0.130 0.000 1.025 531 V CA -0.635 61.742 62.300 0.129 0.000 0.859 531 V CB 0.911 32.809 31.823 0.126 0.000 0.988 531 V HN 0.865 nan 8.190 nan 0.000 0.431 532 L N 2.322 123.620 121.223 0.124 0.000 2.466 532 L HA 0.741 5.119 4.340 0.063 0.000 0.258 532 L C 0.290 177.215 176.870 0.091 0.000 0.973 532 L CA -0.526 54.375 54.840 0.101 0.000 0.826 532 L CB 2.486 44.589 42.059 0.072 0.000 1.372 532 L HN 0.490 nan 8.230 nan 0.000 0.409 533 S N -0.091 115.655 115.700 0.076 0.000 2.667 533 S HA 0.460 4.968 4.470 0.063 0.000 0.251 533 S C 0.562 175.184 174.600 0.036 0.000 1.075 533 S CA -0.047 58.190 58.200 0.061 0.000 1.130 533 S CB -0.620 62.612 63.200 0.054 0.000 0.795 533 S HN 1.030 nan 8.310 nan 0.000 0.462 534 G N 1.958 110.774 108.800 0.028 0.000 2.543 534 G HA2 0.417 4.415 3.960 0.063 0.000 0.267 534 G HA3 0.417 4.415 3.960 0.063 0.000 0.267 534 G C 0.429 175.318 174.900 -0.020 0.000 1.406 534 G CA -0.523 44.575 45.100 -0.003 0.000 1.048 534 G HN 0.538 nan 8.290 nan 0.000 0.548 535 N N -2.223 116.447 118.700 -0.050 0.000 2.143 535 N HA 0.153 4.930 4.740 0.063 0.000 0.222 535 N C 0.292 175.782 175.510 -0.033 0.000 1.264 535 N CA -0.249 52.774 53.050 -0.046 0.000 0.897 535 N CB 0.894 39.310 38.487 -0.118 0.000 1.092 535 N HN 0.342 nan 8.380 nan 0.000 0.516 536 R N 0.394 120.865 120.500 -0.048 0.000 2.604 536 R HA 0.377 4.755 4.340 0.063 0.000 0.281 536 R C -1.006 175.199 176.300 -0.158 0.000 1.020 536 R CA -0.548 55.475 56.100 -0.128 0.000 0.899 536 R CB 1.246 31.602 30.300 0.092 0.000 1.205 536 R HN 0.209 nan 8.270 nan 0.000 0.450 537 N N 2.043 120.520 118.700 -0.371 0.000 2.471 537 N HA 0.054 4.832 4.740 0.063 0.000 0.270 537 N C -0.950 174.457 175.510 -0.172 0.000 1.490 537 N CA -0.326 52.598 53.050 -0.210 0.000 0.850 537 N CB 0.117 38.487 38.487 -0.196 0.000 1.411 537 N HN 0.206 nan 8.380 nan 0.000 0.488 538 F N 2.829 122.832 119.950 0.088 0.000 2.459 538 F HA 0.131 4.696 4.527 0.063 0.000 0.346 538 F C 1.481 177.356 175.800 0.125 0.000 1.128 538 F CA -0.883 57.193 58.000 0.126 0.000 1.268 538 F CB 0.553 39.642 39.000 0.148 0.000 1.161 538 F HN 0.101 nan 8.300 nan 0.000 0.583 539 E N 1.180 121.597 120.200 0.362 0.000 2.652 539 E HA 0.147 4.535 4.350 0.063 0.000 0.255 539 E C 1.086 177.793 176.600 0.178 0.000 0.952 539 E CA 0.604 57.147 56.400 0.238 0.000 0.947 539 E CB -0.063 29.774 29.700 0.228 0.000 0.912 539 E HN 0.935 nan 8.360 nan 0.000 0.489 540 G N 3.854 112.734 108.800 0.133 0.000 2.205 540 G HA2 -0.350 3.648 3.960 0.063 0.000 0.261 540 G HA3 -0.350 3.648 3.960 0.063 0.000 0.261 540 G C 1.067 176.018 174.900 0.086 0.000 0.980 540 G CA 0.408 45.562 45.100 0.089 0.000 0.632 540 G HN 0.519 nan 8.290 nan 0.000 0.533 541 R N -0.068 120.507 120.500 0.125 0.000 2.310 541 R HA 0.542 4.920 4.340 0.063 0.000 0.202 541 R C 2.270 178.640 176.300 0.117 0.000 0.933 541 R CA 1.027 57.205 56.100 0.130 0.000 1.054 541 R CB -0.069 30.345 30.300 0.191 0.000 0.985 541 R HN 0.460 nan 8.270 nan 0.000 0.489 542 V N -1.540 118.440 119.914 0.110 0.000 2.599 542 V HA 0.136 4.294 4.120 0.063 0.000 0.237 542 V C 0.468 176.654 176.094 0.154 0.000 1.081 542 V CA 0.634 63.002 62.300 0.114 0.000 1.107 542 V CB 0.015 31.898 31.823 0.100 0.000 0.808 542 V HN 0.268 nan 8.190 nan 0.000 0.486 543 H N 0.009 119.102 119.070 0.038 0.000 2.974 543 H HA 0.258 4.852 4.556 0.063 0.000 0.366 543 H C -2.280 173.063 175.328 0.026 0.000 1.155 543 H CA -1.242 54.820 56.048 0.023 0.000 1.186 543 H CB 2.765 32.531 29.762 0.006 0.000 1.799 543 H HN -0.060 nan 8.280 nan 0.000 0.541 544 P HA -0.110 nan 4.420 nan 0.000 0.219 544 P C 0.476 177.795 177.300 0.032 0.000 1.146 544 P CA 1.055 64.071 63.100 -0.140 0.000 0.808 544 P CB 0.550 32.108 31.700 -0.236 0.000 0.779 545 N N -0.422 118.427 118.700 0.248 0.000 2.270 545 N HA 0.027 4.805 4.740 0.063 0.000 0.198 545 N C 0.212 175.806 175.510 0.140 0.000 1.117 545 N CA 0.455 53.630 53.050 0.209 0.000 0.845 545 N CB 0.206 38.818 38.487 0.210 0.000 0.980 545 N HN 0.266 nan 8.380 nan 0.000 0.486 546 T N -1.891 112.757 114.554 0.156 0.000 2.756 546 T HA 0.426 4.814 4.350 0.063 0.000 0.290 546 T C 0.945 175.690 174.700 0.075 0.000 0.985 546 T CA -0.751 61.398 62.100 0.082 0.000 0.955 546 T CB 1.819 70.733 68.868 0.077 0.000 0.930 546 T HN -0.068 nan 8.240 nan 0.000 0.451 547 R N 1.819 122.338 120.500 0.031 0.000 2.275 547 R HA 0.366 4.744 4.340 0.063 0.000 0.199 547 R C 0.782 177.144 176.300 0.103 0.000 0.989 547 R CA 0.353 56.474 56.100 0.036 0.000 1.016 547 R CB 0.326 30.583 30.300 -0.072 0.000 0.918 547 R HN 0.752 nan 8.270 nan 0.000 0.473 548 A N 1.261 124.132 122.820 0.085 0.000 2.335 548 A HA 0.488 4.846 4.320 0.063 0.000 0.304 548 A C -1.198 176.440 177.584 0.090 0.000 1.118 548 A CA -0.865 51.282 52.037 0.182 0.000 0.757 548 A CB 0.837 20.075 19.000 0.397 0.000 1.188 548 A HN 0.060 nan 8.150 nan 0.000 0.460 549 N N 1.404 120.069 118.700 -0.058 0.000 2.352 549 N HA 0.465 5.243 4.740 0.063 0.000 0.291 549 N C -1.972 173.400 175.510 -0.230 0.000 1.040 549 N CA -0.038 52.985 53.050 -0.045 0.000 0.864 549 N CB 1.789 40.278 38.487 0.003 0.000 1.440 549 N HN 0.576 nan 8.380 nan 0.000 0.483 550 Y N 1.136 121.450 120.300 0.023 0.000 2.350 550 Y HA 0.419 5.006 4.550 0.063 0.000 0.338 550 Y C 0.404 176.319 175.900 0.025 0.000 0.961 550 Y CA -0.774 57.335 58.100 0.016 0.000 1.100 550 Y CB 1.558 40.003 38.460 -0.025 0.000 1.179 550 Y HN 0.214 nan 8.280 nan 0.000 0.454 551 L N 3.910 125.217 121.223 0.140 0.000 2.380 551 L HA 0.754 5.132 4.340 0.063 0.000 0.273 551 L C 0.133 177.097 176.870 0.156 0.000 1.138 551 L CA -0.391 54.514 54.840 0.109 0.000 0.832 551 L CB 0.594 42.684 42.059 0.052 0.000 1.124 551 L HN 0.785 nan 8.230 nan 0.000 0.454 552 A N 1.637 124.546 122.820 0.150 0.000 2.608 552 A HA 0.569 4.927 4.320 0.063 0.000 0.292 552 A C -0.343 177.326 177.584 0.142 0.000 1.066 552 A CA -0.538 51.605 52.037 0.177 0.000 0.676 552 A CB 1.449 20.601 19.000 0.254 0.000 1.277 552 A HN 0.691 nan 8.150 nan 0.000 0.413 553 S N 1.302 117.088 115.700 0.143 0.000 2.566 553 S HA 0.287 4.795 4.470 0.063 0.000 0.280 553 S C -1.684 172.962 174.600 0.077 0.000 1.343 553 S CA 0.083 58.349 58.200 0.109 0.000 1.036 553 S CB 0.231 63.514 63.200 0.138 0.000 0.866 553 S HN 0.404 nan 8.310 nan 0.000 0.526 554 P HA -0.130 nan 4.420 nan 0.000 0.217 554 P C -1.288 175.940 177.300 -0.120 0.000 1.158 554 P CA 1.707 64.781 63.100 -0.044 0.000 0.887 554 P CB -1.150 30.515 31.700 -0.059 0.000 0.792 555 P HA -0.111 nan 4.420 nan 0.000 0.218 555 P C 1.678 178.910 177.300 -0.114 0.000 1.149 555 P CA 1.317 64.240 63.100 -0.294 0.000 0.817 555 P CB -0.441 30.875 31.700 -0.639 0.000 0.785 556 L N -0.724 120.559 121.223 0.100 0.000 2.093 556 L HA -0.120 4.258 4.340 0.063 0.000 0.208 556 L C 2.689 179.636 176.870 0.128 0.000 1.085 556 L CA 1.098 56.013 54.840 0.125 0.000 0.755 556 L CB -0.980 41.213 42.059 0.224 0.000 0.904 556 L HN -0.170 nan 8.230 nan 0.000 0.435 557 V N 0.385 120.376 119.914 0.128 0.000 2.282 557 V HA -0.351 3.807 4.120 0.063 0.000 0.249 557 V C 2.326 178.476 176.094 0.094 0.000 1.057 557 V CA 2.029 64.423 62.300 0.157 0.000 1.032 557 V CB -0.406 31.485 31.823 0.113 0.000 0.645 557 V HN 0.343 nan 8.190 nan 0.000 0.447 558 I N 0.184 120.679 120.570 -0.125 0.000 2.179 558 I HA -0.239 3.969 4.170 0.063 0.000 0.242 558 I C 2.720 178.797 176.117 -0.067 0.000 1.088 558 I CA 1.489 62.663 61.300 -0.209 0.000 1.357 558 I CB -0.722 37.036 38.000 -0.404 0.000 1.051 558 I HN 0.320 nan 8.210 nan 0.000 0.409 559 A N 0.556 123.304 122.820 -0.120 0.000 1.883 559 A HA -0.255 4.103 4.320 0.063 0.000 0.217 559 A C 2.170 179.708 177.584 -0.075 0.000 1.186 559 A CA 1.670 53.581 52.037 -0.209 0.000 0.624 559 A CB -1.210 17.515 19.000 -0.458 0.000 0.822 559 A HN 0.446 nan 8.150 nan 0.000 0.444 560 Y N -0.324 120.071 120.300 0.159 0.000 2.352 560 Y HA -0.044 4.543 4.550 0.063 0.000 0.292 560 Y C 2.852 178.820 175.900 0.112 0.000 1.136 560 Y CA 0.550 58.761 58.100 0.185 0.000 1.227 560 Y CB -0.204 38.338 38.460 0.137 0.000 0.991 560 Y HN 0.368 nan 8.280 nan 0.000 0.545 561 A N 0.393 123.357 122.820 0.241 0.000 1.902 561 A HA -0.171 4.187 4.320 0.063 0.000 0.217 561 A C 2.143 179.789 177.584 0.102 0.000 1.181 561 A CA 1.663 53.801 52.037 0.170 0.000 0.623 561 A CB -0.907 18.264 19.000 0.284 0.000 0.818 561 A HN 0.480 nan 8.150 nan 0.000 0.443 562 I N -0.416 120.215 120.570 0.102 0.000 2.202 562 I HA -0.235 3.973 4.170 0.063 0.000 0.242 562 I C 2.931 179.099 176.117 0.085 0.000 1.091 562 I CA 1.069 62.410 61.300 0.068 0.000 1.368 562 I CB -0.256 37.767 38.000 0.038 0.000 1.058 562 I HN 0.343 nan 8.210 nan 0.000 0.410 563 A N 0.128 123.034 122.820 0.143 0.000 1.969 563 A HA 0.041 4.399 4.320 0.063 0.000 0.218 563 A C 2.094 179.753 177.584 0.125 0.000 1.169 563 A CA 1.374 53.511 52.037 0.166 0.000 0.635 563 A CB -0.918 18.255 19.000 0.288 0.000 0.810 563 A HN 0.601 nan 8.150 nan 0.000 0.445 564 G N -2.411 106.464 108.800 0.124 0.000 2.184 564 G HA2 -0.170 3.828 3.960 0.063 0.000 0.264 564 G HA3 -0.170 3.828 3.960 0.063 0.000 0.264 564 G C 0.414 175.362 174.900 0.079 0.000 0.975 564 G CA 1.188 46.333 45.100 0.075 0.000 0.642 564 G HN 1.523 nan 8.290 nan 0.000 0.536 565 T N -1.249 113.360 114.554 0.091 0.000 2.889 565 T HA 0.528 4.916 4.350 0.063 0.000 0.315 565 T C 1.105 175.794 174.700 -0.018 0.000 1.291 565 T CA 0.068 62.166 62.100 -0.003 0.000 1.028 565 T CB 1.056 69.917 68.868 -0.011 0.000 1.235 565 T HN 1.055 nan 8.240 nan 0.000 0.491 566 I N 0.891 121.290 120.570 -0.284 0.000 3.603 566 I HA 0.479 4.687 4.170 0.063 0.000 0.297 566 I C 1.236 177.157 176.117 -0.327 0.000 1.269 566 I CA 0.103 61.119 61.300 -0.472 0.000 1.361 566 I CB -0.161 37.265 38.000 -0.956 0.000 1.063 566 I HN 0.339 nan 8.210 nan 0.000 0.448 567 R N 2.331 122.670 120.500 -0.268 0.000 4.154 567 R HA 0.505 4.883 4.340 0.063 0.000 0.186 567 R C -0.707 175.525 176.300 -0.114 0.000 1.750 567 R CA 0.015 56.034 56.100 -0.135 0.000 1.431 567 R CB -0.364 29.911 30.300 -0.041 0.000 1.383 567 R HN 0.468 nan 8.270 nan 0.000 0.788 568 I N -0.167 120.286 120.570 -0.194 0.000 2.692 568 I HA 0.172 4.380 4.170 0.063 0.000 0.293 568 I C -1.487 174.400 176.117 -0.384 0.000 1.200 568 I CA -0.862 60.261 61.300 -0.296 0.000 1.036 568 I CB 2.246 39.986 38.000 -0.434 0.000 1.258 568 I HN 0.091 nan 8.210 nan 0.000 0.421 569 D N 6.564 126.827 120.400 -0.229 0.000 2.428 569 D HA 0.226 4.904 4.640 0.063 0.000 0.221 569 D C 0.626 176.877 176.300 -0.080 0.000 1.123 569 D CA -0.029 53.885 54.000 -0.144 0.000 0.869 569 D CB 0.446 41.226 40.800 -0.033 0.000 1.032 569 D HN 0.441 nan 8.370 nan 0.000 0.506 570 F N 1.422 121.396 119.950 0.041 0.000 2.333 570 F HA -0.099 4.466 4.527 0.063 0.000 0.300 570 F C 2.312 178.187 175.800 0.126 0.000 1.083 570 F CA 0.579 58.611 58.000 0.053 0.000 1.395 570 F CB 0.238 39.223 39.000 -0.025 0.000 1.056 570 F HN 0.443 nan 8.300 nan 0.000 0.529 571 E N 0.525 120.858 120.200 0.220 0.000 2.076 571 E HA -0.178 4.210 4.350 0.063 0.000 0.190 571 E C 1.906 178.582 176.600 0.127 0.000 0.979 571 E CA 0.930 57.399 56.400 0.115 0.000 0.807 571 E CB 0.148 29.866 29.700 0.030 0.000 0.761 571 E HN 0.100 nan 8.360 nan 0.000 0.454 572 K N 0.613 121.099 120.400 0.144 0.000 2.186 572 K HA 0.095 4.453 4.320 0.063 0.000 0.202 572 K C -0.005 176.760 176.600 0.274 0.000 1.052 572 K CA 0.607 56.982 56.287 0.146 0.000 0.965 572 K CB 0.431 32.976 32.500 0.075 0.000 0.746 572 K HN 0.126 nan 8.250 nan 0.000 0.457 573 E N 1.022 121.381 120.200 0.265 0.000 2.199 573 E HA 0.270 4.658 4.350 0.063 0.000 0.269 573 E C -2.526 174.117 176.600 0.071 0.000 0.899 573 E CA -2.449 54.053 56.400 0.170 0.000 0.772 573 E CB 1.744 31.474 29.700 0.049 0.000 1.155 573 E HN -0.034 nan 8.360 nan 0.000 0.408 574 P HA 0.091 nan 4.420 nan 0.000 0.276 574 P C 0.330 177.477 177.300 -0.254 0.000 1.252 574 P CA -0.298 62.332 63.100 -0.783 0.000 0.802 574 P CB 1.291 32.404 31.700 -0.979 0.000 1.035 575 L N -0.307 120.808 121.223 -0.179 0.000 2.068 575 L HA 0.176 4.554 4.340 0.063 0.000 0.204 575 L C 1.575 178.410 176.870 -0.057 0.000 1.076 575 L CA 1.768 56.586 54.840 -0.037 0.000 0.753 575 L CB -0.724 41.335 42.059 0.000 0.000 0.910 575 L HN 0.599 nan 8.230 nan 0.000 0.439 576 G N -1.592 107.146 108.800 -0.104 0.000 2.634 576 G HA2 0.484 4.482 3.960 0.063 0.000 0.309 576 G HA3 0.484 4.482 3.960 0.063 0.000 0.309 576 G C -1.917 172.926 174.900 -0.094 0.000 1.299 576 G CA -0.424 44.633 45.100 -0.073 0.000 0.798 576 G HN -0.286 nan 8.290 nan 0.000 0.490 577 V N 1.695 121.578 119.914 -0.052 0.000 2.448 577 V HA 0.437 4.595 4.120 0.063 0.000 0.295 577 V C -0.255 175.828 176.094 -0.018 0.000 1.025 577 V CA -1.176 61.099 62.300 -0.041 0.000 0.859 577 V CB 1.488 33.295 31.823 -0.027 0.000 0.988 577 V HN 0.730 nan 8.190 nan 0.000 0.431 578 N N 3.615 122.308 118.700 -0.011 0.000 2.514 578 N HA 0.222 5.000 4.740 0.063 0.000 0.277 578 N C 1.052 176.566 175.510 0.007 0.000 1.126 578 N CA 0.243 53.294 53.050 0.002 0.000 0.978 578 N CB 2.141 40.634 38.487 0.009 0.000 1.106 578 N HN 0.771 nan 8.380 nan 0.000 0.461 579 A N 3.796 126.621 122.820 0.008 0.000 2.234 579 A HA -0.133 4.225 4.320 0.063 0.000 0.216 579 A C 1.451 179.041 177.584 0.011 0.000 1.167 579 A CA 1.242 53.284 52.037 0.009 0.000 0.698 579 A CB -0.034 18.972 19.000 0.009 0.000 0.779 579 A HN 0.774 nan 8.150 nan 0.000 0.475 580 K N -2.403 118.005 120.400 0.014 0.000 2.506 580 K HA 0.141 4.499 4.320 0.063 0.000 0.237 580 K C 1.866 178.478 176.600 0.020 0.000 1.276 580 K CA 0.755 57.051 56.287 0.015 0.000 0.753 580 K CB -0.866 31.643 32.500 0.015 0.000 1.627 580 K HN 0.198 nan 8.250 nan 0.000 0.397 581 G N 1.611 110.426 108.800 0.024 0.000 2.956 581 G HA2 -0.121 3.877 3.960 0.063 0.000 0.207 581 G HA3 -0.121 3.877 3.960 0.063 0.000 0.207 581 G C 0.712 175.637 174.900 0.041 0.000 1.162 581 G CA 0.831 45.951 45.100 0.033 0.000 0.796 581 G HN 0.492 nan 8.290 nan 0.000 0.527 582 Q N -1.650 118.167 119.800 0.029 0.000 1.622 582 Q HA -0.254 4.124 4.340 0.063 0.000 0.329 582 Q C -0.359 175.651 176.000 0.016 0.000 0.810 582 Q CA 1.056 56.873 55.803 0.024 0.000 0.907 582 Q CB -1.318 27.440 28.738 0.034 0.000 3.016 582 Q HN 0.368 nan 8.270 nan 0.000 0.630 583 Q N 1.009 120.829 119.800 0.033 0.000 2.269 583 Q HA 0.159 4.536 4.340 0.063 0.000 0.300 583 Q C -0.765 175.220 176.000 -0.025 0.000 1.070 583 Q CA 0.610 56.395 55.803 -0.030 0.000 0.957 583 Q CB 0.616 29.433 28.738 0.131 0.000 1.131 583 Q HN 0.292 nan 8.270 nan 0.000 0.377 584 V N 5.521 125.330 119.914 -0.175 0.000 2.334 584 V HA 0.359 4.517 4.120 0.063 0.000 0.281 584 V C -0.465 175.496 176.094 -0.222 0.000 1.016 584 V CA -0.404 61.845 62.300 -0.086 0.000 0.832 584 V CB 0.399 32.197 31.823 -0.043 0.000 0.999 584 V HN 0.514 nan 8.190 nan 0.000 0.439 585 F N 3.580 123.552 119.950 0.036 0.000 2.470 585 F HA 0.410 4.975 4.527 0.063 0.000 0.329 585 F C 0.859 176.677 175.800 0.030 0.000 1.072 585 F CA -0.610 57.419 58.000 0.048 0.000 0.989 585 F CB 1.531 40.557 39.000 0.044 0.000 1.193 585 F HN 0.348 nan 8.300 nan 0.000 0.481 586 L N 2.130 123.471 121.223 0.196 0.000 2.089 586 L HA -0.238 4.140 4.340 0.063 0.000 0.213 586 L C 2.222 179.154 176.870 0.104 0.000 1.079 586 L CA 1.981 56.840 54.840 0.033 0.000 0.758 586 L CB -0.629 41.284 42.059 -0.243 0.000 0.891 586 L HN 0.633 nan 8.230 nan 0.000 0.433 587 K N -0.253 120.223 120.400 0.126 0.000 2.152 587 K HA -0.162 4.196 4.320 0.063 0.000 0.206 587 K C 1.696 178.371 176.600 0.125 0.000 1.048 587 K CA 1.690 58.033 56.287 0.093 0.000 0.933 587 K CB -0.267 32.258 32.500 0.041 0.000 0.721 587 K HN 0.486 nan 8.250 nan 0.000 0.447 588 D N -0.210 120.272 120.400 0.137 0.000 2.224 588 D HA -0.076 4.602 4.640 0.063 0.000 0.205 588 D C 1.679 178.023 176.300 0.074 0.000 0.965 588 D CA 1.270 55.333 54.000 0.104 0.000 0.852 588 D CB 0.070 40.943 40.800 0.122 0.000 0.947 588 D HN 0.513 nan 8.370 nan 0.000 0.494 589 I N -4.343 116.274 120.570 0.077 0.000 3.854 589 I HA 0.156 4.364 4.170 0.063 0.000 0.312 589 I C 0.720 176.839 176.117 0.003 0.000 1.273 589 I CA -0.509 60.801 61.300 0.016 0.000 1.298 589 I CB 0.191 38.180 38.000 -0.019 0.000 1.071 589 I HN -0.165 nan 8.210 nan 0.000 0.428 590 W N 6.668 127.913 121.300 -0.091 0.000 2.381 590 W HA 0.271 4.968 4.660 0.063 0.000 0.321 590 W C -2.378 174.096 176.519 -0.076 0.000 1.407 590 W CA -1.462 55.823 57.345 -0.100 0.000 1.274 590 W CB 0.613 30.013 29.460 -0.101 0.000 1.310 590 W HN 0.052 nan 8.180 nan 0.000 0.551 591 P HA 0.074 nan 4.420 nan 0.000 0.279 591 P C -0.118 177.163 177.300 -0.032 0.000 1.239 591 P CA 0.135 63.107 63.100 -0.214 0.000 0.789 591 P CB 1.131 32.641 31.700 -0.318 0.000 0.933 592 T N -0.138 114.441 114.554 0.041 0.000 2.849 592 T HA 0.203 4.591 4.350 0.063 0.000 0.284 592 T C 1.393 176.109 174.700 0.026 0.000 1.004 592 T CA -0.775 61.373 62.100 0.081 0.000 1.021 592 T CB 1.039 69.931 68.868 0.040 0.000 1.013 592 T HN 0.396 nan 8.240 nan 0.000 0.527 593 R N 0.832 121.349 120.500 0.029 0.000 2.139 593 R HA -0.203 4.175 4.340 0.063 0.000 0.243 593 R C 1.702 177.988 176.300 -0.024 0.000 1.145 593 R CA 2.426 58.526 56.100 -0.001 0.000 0.976 593 R CB -0.636 29.655 30.300 -0.015 0.000 0.866 593 R HN 0.945 nan 8.270 nan 0.000 0.449 594 D N -0.883 119.502 120.400 -0.026 0.000 2.162 594 D HA -0.137 4.541 4.640 0.063 0.000 0.203 594 D C 1.385 177.666 176.300 -0.032 0.000 0.967 594 D CA 0.931 54.913 54.000 -0.030 0.000 0.840 594 D CB -0.218 40.564 40.800 -0.030 0.000 0.972 594 D HN 0.367 nan 8.370 nan 0.000 0.482 595 E N 0.154 120.335 120.200 -0.032 0.000 2.153 595 E HA -0.084 4.304 4.350 0.063 0.000 0.194 595 E C 2.158 178.729 176.600 -0.048 0.000 0.988 595 E CA 0.666 57.042 56.400 -0.039 0.000 0.811 595 E CB -0.086 29.586 29.700 -0.047 0.000 0.746 595 E HN 0.463 nan 8.360 nan 0.000 0.466 596 I N 0.950 121.486 120.570 -0.057 0.000 2.286 596 I HA -0.262 3.946 4.170 0.063 0.000 0.245 596 I C 2.356 178.443 176.117 -0.051 0.000 1.104 596 I CA 1.112 62.373 61.300 -0.065 0.000 1.397 596 I CB -0.150 37.804 38.000 -0.077 0.000 1.072 596 I HN 0.050 nan 8.210 nan 0.000 0.417 597 Q N 0.605 120.378 119.800 -0.045 0.000 2.170 597 Q HA -0.158 4.220 4.340 0.063 0.000 0.203 597 Q C 2.409 178.384 176.000 -0.041 0.000 0.976 597 Q CA 1.602 57.379 55.803 -0.044 0.000 0.858 597 Q CB -0.227 28.487 28.738 -0.039 0.000 0.907 597 Q HN 0.579 nan 8.270 nan 0.000 0.433 598 A N 0.220 123.019 122.820 -0.035 0.000 1.855 598 A HA -0.140 4.218 4.320 0.063 0.000 0.215 598 A C 2.303 179.873 177.584 -0.023 0.000 1.191 598 A CA 1.414 53.431 52.037 -0.034 0.000 0.613 598 A CB -0.774 18.209 19.000 -0.027 0.000 0.829 598 A HN 0.211 nan 8.150 nan 0.000 0.442 599 V N 0.251 120.175 119.914 0.018 0.000 2.392 599 V HA -0.285 3.873 4.120 0.063 0.000 0.249 599 V C 2.510 178.667 176.094 0.105 0.000 1.059 599 V CA 2.405 64.780 62.300 0.126 0.000 1.051 599 V CB -0.836 31.048 31.823 0.102 0.000 0.658 599 V HN 0.783 nan 8.190 nan 0.000 0.455 600 E N 0.372 120.563 120.200 -0.015 0.000 2.047 600 E HA -0.244 4.144 4.350 0.063 0.000 0.191 600 E C 2.481 179.040 176.600 -0.068 0.000 0.987 600 E CA 1.192 57.544 56.400 -0.081 0.000 0.799 600 E CB -0.135 29.503 29.700 -0.104 0.000 0.752 600 E HN 0.450 nan 8.360 nan 0.000 0.449 601 R N 0.033 120.495 120.500 -0.063 0.000 2.105 601 R HA -0.183 4.195 4.340 0.063 0.000 0.239 601 R C 2.372 178.609 176.300 -0.105 0.000 1.135 601 R CA 1.988 58.045 56.100 -0.072 0.000 0.967 601 R CB 0.025 30.286 30.300 -0.065 0.000 0.861 601 R HN 0.298 nan 8.270 nan 0.000 0.442 602 Q N -1.611 118.098 119.800 -0.152 0.000 2.083 602 Q HA -0.132 4.246 4.340 0.063 0.000 0.198 602 Q C 0.893 176.656 176.000 -0.395 0.000 0.969 602 Q CA 1.394 57.004 55.803 -0.323 0.000 0.838 602 Q CB 0.208 28.646 28.738 -0.500 0.000 0.900 602 Q HN 0.464 nan 8.270 nan 0.000 0.436 603 Y N -1.051 119.209 120.300 -0.066 0.000 2.467 603 Y HA 0.206 4.794 4.550 0.063 0.000 0.250 603 Y C -0.085 175.766 175.900 -0.082 0.000 1.155 603 Y CA -0.415 57.650 58.100 -0.058 0.000 1.249 603 Y CB 1.391 39.834 38.460 -0.028 0.000 1.146 603 Y HN -0.200 nan 8.280 nan 0.000 0.524 604 V N 3.672 123.593 119.914 0.012 0.000 2.235 604 V HA 0.263 4.421 4.120 0.063 0.000 0.266 604 V C -0.200 175.952 176.094 0.097 0.000 1.055 604 V CA -0.728 61.589 62.300 0.029 0.000 0.844 604 V CB -0.421 31.367 31.823 -0.059 0.000 1.097 604 V HN 0.150 nan 8.190 nan 0.000 0.453 605 I N 0.807 121.430 120.570 0.088 0.000 2.562 605 I HA 0.600 4.808 4.170 0.063 0.000 0.301 605 I C -1.462 174.752 176.117 0.161 0.000 1.003 605 I CA -2.558 58.782 61.300 0.066 0.000 1.127 605 I CB 2.285 40.280 38.000 -0.008 0.000 1.304 605 I HN 0.095 nan 8.210 nan 0.000 0.446 606 P HA -0.141 nan 4.420 nan 0.000 0.218 606 P C 1.525 178.916 177.300 0.152 0.000 1.146 606 P CA 1.864 65.035 63.100 0.117 0.000 0.813 606 P CB -0.048 31.643 31.700 -0.015 0.000 0.778 607 G N 0.066 108.905 108.800 0.064 0.000 2.440 607 G HA2 -0.268 3.730 3.960 0.063 0.000 0.218 607 G HA3 -0.268 3.730 3.960 0.063 0.000 0.218 607 G C 1.625 176.518 174.900 -0.012 0.000 1.154 607 G CA 1.101 46.216 45.100 0.026 0.000 0.767 607 G HN 0.208 nan 8.290 nan 0.000 0.552 608 M N -0.473 119.041 119.600 -0.145 0.000 2.080 608 M HA 0.005 4.523 4.480 0.063 0.000 0.260 608 M C 2.391 178.591 176.300 -0.167 0.000 1.068 608 M CA 1.344 56.390 55.300 -0.422 0.000 1.109 608 M CB -0.425 31.760 32.600 -0.693 0.000 1.342 608 M HN 0.253 nan 8.290 nan 0.000 0.405 609 F N 0.436 120.380 119.950 -0.010 0.000 2.102 609 F HA -0.209 4.357 4.527 0.066 0.000 0.298 609 F C 2.416 178.315 175.800 0.165 0.000 1.105 609 F CA 1.338 59.420 58.000 0.137 0.000 1.239 609 F CB -0.635 38.430 39.000 0.109 0.000 0.991 609 F HN -0.056 nan 8.300 nan 0.000 0.474 610 K N 0.608 121.171 120.400 0.272 0.000 2.034 610 K HA -0.219 4.139 4.320 0.063 0.000 0.214 610 K C 1.973 178.655 176.600 0.137 0.000 1.051 610 K CA 1.813 58.207 56.287 0.178 0.000 0.931 610 K CB -0.497 32.070 32.500 0.112 0.000 0.715 610 K HN 0.284 nan 8.250 nan 0.000 0.446 611 E N -0.402 119.863 120.200 0.110 0.000 2.047 611 E HA -0.142 4.246 4.350 0.063 0.000 0.191 611 E C 2.001 178.618 176.600 0.027 0.000 0.987 611 E CA 1.251 57.711 56.400 0.099 0.000 0.799 611 E CB 0.006 29.838 29.700 0.220 0.000 0.752 611 E HN 0.020 nan 8.360 nan 0.000 0.449 612 V N 0.217 120.117 119.914 -0.024 0.000 2.295 612 V HA -0.248 3.910 4.120 0.063 0.000 0.246 612 V C 1.649 177.520 176.094 -0.372 0.000 1.049 612 V CA 1.734 63.876 62.300 -0.263 0.000 1.024 612 V CB -0.414 31.132 31.823 -0.462 0.000 0.648 612 V HN 0.314 nan 8.190 nan 0.000 0.447 613 Y N -0.600 119.630 120.300 -0.116 0.000 2.482 613 Y HA 0.008 4.597 4.550 0.065 0.000 0.270 613 Y C 2.473 178.261 175.900 -0.187 0.000 1.152 613 Y CA 0.605 58.547 58.100 -0.264 0.000 1.292 613 Y CB -0.032 38.238 38.460 -0.315 0.000 1.070 613 Y HN 0.256 nan 8.280 nan 0.000 0.528 614 Q N 1.572 121.399 119.800 0.046 0.000 2.133 614 Q HA -0.243 4.135 4.340 0.063 0.000 0.208 614 Q C 0.827 176.841 176.000 0.024 0.000 0.991 614 Q CA 1.890 57.724 55.803 0.052 0.000 0.867 614 Q CB 0.005 28.767 28.738 0.039 0.000 0.911 614 Q HN 0.377 nan 8.270 nan 0.000 0.417 615 K N -0.179 120.205 120.400 -0.026 0.000 2.478 615 K HA 0.201 4.559 4.320 0.063 0.000 0.205 615 K C 1.369 177.936 176.600 -0.055 0.000 1.033 615 K CA -0.213 56.059 56.287 -0.024 0.000 1.091 615 K CB 0.420 32.902 32.500 -0.031 0.000 0.844 615 K HN 0.225 nan 8.250 nan 0.000 0.507 616 I N 1.879 122.388 120.570 -0.102 0.000 2.194 616 I HA -0.345 3.863 4.170 0.063 0.000 0.246 616 I C 1.568 177.631 176.117 -0.090 0.000 1.093 616 I CA 1.843 63.052 61.300 -0.151 0.000 1.355 616 I CB 0.286 38.145 38.000 -0.235 0.000 1.046 616 I HN 0.264 nan 8.210 nan 0.000 0.413 617 E N -0.779 119.409 120.200 -0.020 0.000 2.358 617 E HA -0.138 4.250 4.350 0.063 0.000 0.195 617 E C 1.612 178.241 176.600 0.049 0.000 1.010 617 E CA 1.487 57.896 56.400 0.015 0.000 0.856 617 E CB 0.103 29.853 29.700 0.084 0.000 0.795 617 E HN 0.660 nan 8.360 nan 0.000 0.504 618 T N -3.205 111.377 114.554 0.046 0.000 2.975 618 T HA 0.120 4.508 4.350 0.063 0.000 0.261 618 T C 1.653 176.389 174.700 0.061 0.000 0.984 618 T CA -0.209 61.939 62.100 0.080 0.000 0.911 618 T CB 0.322 69.230 68.868 0.066 0.000 1.127 618 T HN -0.011 nan 8.240 nan 0.000 0.514 619 V N 2.217 122.140 119.914 0.015 0.000 2.667 619 V HA 0.134 4.292 4.120 0.063 0.000 0.252 619 V C 0.898 177.004 176.094 0.019 0.000 1.065 619 V CA 1.007 63.305 62.300 -0.003 0.000 1.083 619 V CB -0.623 31.170 31.823 -0.051 0.000 0.692 619 V HN 0.524 nan 8.190 nan 0.000 0.468 620 N N 1.243 119.974 118.700 0.051 0.000 2.421 620 N HA 0.004 4.782 4.740 0.063 0.000 0.260 620 N C 1.087 176.687 175.510 0.151 0.000 1.173 620 N CA 0.118 53.226 53.050 0.098 0.000 0.960 620 N CB 0.855 39.416 38.487 0.124 0.000 1.273 620 N HN 0.427 nan 8.380 nan 0.000 0.497 621 E N 1.555 121.794 120.200 0.066 0.000 2.150 621 E HA -0.098 4.290 4.350 0.063 0.000 0.193 621 E C 1.196 177.809 176.600 0.021 0.000 0.985 621 E CA 0.839 57.265 56.400 0.043 0.000 0.814 621 E CB -0.014 29.686 29.700 0.000 0.000 0.752 621 E HN 0.510 nan 8.360 nan 0.000 0.466 622 S N 0.783 116.446 115.700 -0.060 0.000 2.368 622 S HA -0.127 4.381 4.470 0.063 0.000 0.225 622 S C 1.407 176.021 174.600 0.024 0.000 1.030 622 S CA 0.763 58.796 58.200 -0.278 0.000 0.999 622 S CB -0.346 62.334 63.200 -0.866 0.000 0.844 622 S HN 0.492 nan 8.310 nan 0.000 0.459 623 W N 2.948 124.346 121.300 0.163 0.000 2.335 623 W HA -0.182 4.516 4.660 0.063 0.000 0.311 623 W C 1.425 178.056 176.519 0.187 0.000 1.213 623 W CA 1.453 59.006 57.345 0.347 0.000 1.274 623 W CB -0.576 29.020 29.460 0.226 0.000 1.148 623 W HN 0.300 nan 8.180 nan 0.000 0.498 624 N N 0.902 119.733 118.700 0.218 0.000 2.223 624 N HA -0.149 4.629 4.740 0.063 0.000 0.185 624 N C 1.782 177.285 175.510 -0.011 0.000 1.016 624 N CA 1.996 55.090 53.050 0.074 0.000 0.863 624 N CB -1.019 37.538 38.487 0.117 0.000 0.983 624 N HN 0.200 nan 8.380 nan 0.000 0.429 625 A N 1.067 123.893 122.820 0.011 0.000 2.015 625 A HA 0.032 4.390 4.320 0.063 0.000 0.219 625 A C 0.983 178.562 177.584 -0.008 0.000 1.163 625 A CA 0.151 52.187 52.037 -0.001 0.000 0.646 625 A CB -0.503 18.494 19.000 -0.005 0.000 0.806 625 A HN 0.226 nan 8.150 nan 0.000 0.448 626 L N 1.017 122.227 121.223 -0.021 0.000 2.628 626 L HA 0.128 4.506 4.340 0.063 0.000 0.274 626 L C 0.792 177.627 176.870 -0.059 0.000 1.209 626 L CA -0.345 54.478 54.840 -0.028 0.000 0.930 626 L CB 0.059 42.056 42.059 -0.104 0.000 1.183 626 L HN 0.361 nan 8.230 nan 0.000 0.492 627 A N 3.478 126.295 122.820 -0.006 0.000 2.340 627 A HA 0.627 4.985 4.320 0.063 0.000 0.268 627 A C 0.279 177.876 177.584 0.021 0.000 1.100 627 A CA -0.262 51.776 52.037 0.001 0.000 0.803 627 A CB 0.627 19.633 19.000 0.010 0.000 1.043 627 A HN 0.721 nan 8.150 nan 0.000 0.488 628 T N 0.519 115.096 114.554 0.038 0.000 2.900 628 T HA 0.758 5.146 4.350 0.063 0.000 0.295 628 T C -2.591 172.170 174.700 0.101 0.000 1.044 628 T CA -1.399 60.763 62.100 0.105 0.000 0.995 628 T CB 1.335 70.289 68.868 0.143 0.000 1.072 628 T HN 0.556 nan 8.240 nan 0.000 0.473 629 P HA 0.273 nan 4.420 nan 0.000 0.273 629 P C 0.656 178.054 177.300 0.162 0.000 1.250 629 P CA -0.622 62.513 63.100 0.059 0.000 0.793 629 P CB 0.629 32.288 31.700 -0.069 0.000 1.011 630 S N -2.346 113.407 115.700 0.089 0.000 2.556 630 S HA 0.046 4.554 4.470 0.063 0.000 0.216 630 S C 0.319 174.999 174.600 0.133 0.000 0.970 630 S CA -0.488 57.770 58.200 0.098 0.000 0.912 630 S CB -0.543 62.679 63.200 0.037 0.000 0.790 630 S HN 0.337 nan 8.310 nan 0.000 0.504 631 D N 2.411 122.921 120.400 0.184 0.000 2.449 631 D HA 0.121 4.799 4.640 0.063 0.000 0.236 631 D C 0.847 177.351 176.300 0.340 0.000 1.149 631 D CA 0.140 54.264 54.000 0.207 0.000 0.878 631 D CB 0.676 41.546 40.800 0.116 0.000 1.198 631 D HN 0.150 nan 8.370 nan 0.000 0.446 632 K N 0.472 120.980 120.400 0.181 0.000 2.335 632 K HA 0.172 4.530 4.320 0.063 0.000 0.195 632 K C 0.346 177.060 176.600 0.190 0.000 1.058 632 K CA 0.155 56.485 56.287 0.072 0.000 0.988 632 K CB 0.540 33.014 32.500 -0.043 0.000 0.880 632 K HN 0.314 nan 8.250 nan 0.000 0.513 633 L N 1.474 122.830 121.223 0.221 0.000 2.296 633 L HA 0.316 4.694 4.340 0.063 0.000 0.286 633 L C -0.236 176.734 176.870 0.167 0.000 1.023 633 L CA -1.032 53.947 54.840 0.231 0.000 0.812 633 L CB 0.873 43.029 42.059 0.161 0.000 1.223 633 L HN -0.129 nan 8.230 nan 0.000 0.421 634 F N 3.146 123.048 119.950 -0.080 0.000 2.543 634 F HA 0.042 4.607 4.527 0.063 0.000 0.375 634 F C 0.156 175.592 175.800 -0.607 0.000 1.075 634 F CA -0.113 57.505 58.000 -0.636 0.000 1.225 634 F CB 0.330 38.668 39.000 -1.104 0.000 1.099 634 F HN 0.248 nan 8.300 nan 0.000 0.561 635 F N 7.702 126.820 119.950 -1.388 0.000 2.619 635 F HA 0.216 4.781 4.527 0.063 0.000 0.350 635 F C -0.619 174.684 175.800 -0.829 0.000 1.259 635 F CA -0.940 56.556 58.000 -0.840 0.000 1.204 635 F CB -0.504 38.126 39.000 -0.617 0.000 1.556 635 F HN 0.388 nan 8.300 nan 0.000 0.650 636 W N 4.422 125.478 121.300 -0.406 0.000 2.295 636 W HA 0.012 4.710 4.660 0.063 0.000 0.335 636 W C 0.630 177.023 176.519 -0.209 0.000 1.351 636 W CA -0.315 56.970 57.345 -0.101 0.000 1.273 636 W CB 0.101 29.573 29.460 0.020 0.000 1.214 636 W HN 0.328 nan 8.180 nan 0.000 0.563 637 N N 1.798 120.610 118.700 0.187 0.000 2.437 637 N HA 0.047 4.825 4.740 0.063 0.000 0.259 637 N C 1.017 176.598 175.510 0.118 0.000 0.983 637 N CA -0.041 53.075 53.050 0.110 0.000 0.937 637 N CB 1.296 39.866 38.487 0.138 0.000 1.122 637 N HN 0.391 nan 8.380 nan 0.000 0.499 638 S N 3.157 118.894 115.700 0.062 0.000 2.440 638 S HA -0.195 4.313 4.470 0.063 0.000 0.238 638 S C 1.528 176.156 174.600 0.046 0.000 1.010 638 S CA 1.072 59.300 58.200 0.046 0.000 0.972 638 S CB -0.070 63.140 63.200 0.017 0.000 0.774 638 S HN 0.679 nan 8.310 nan 0.000 0.501 639 K N 1.570 122.004 120.400 0.057 0.000 2.365 639 K HA 0.197 4.555 4.320 0.063 0.000 0.197 639 K C 0.757 177.390 176.600 0.055 0.000 1.042 639 K CA 0.238 56.552 56.287 0.045 0.000 0.987 639 K CB -0.134 32.397 32.500 0.050 0.000 0.779 639 K HN 0.293 nan 8.250 nan 0.000 0.484 640 S N 0.273 116.027 115.700 0.089 0.000 2.549 640 S HA 0.008 4.516 4.470 0.063 0.000 0.279 640 S C 0.836 175.475 174.600 0.066 0.000 1.321 640 S CA -0.038 58.228 58.200 0.111 0.000 1.054 640 S CB 1.036 64.335 63.200 0.165 0.000 0.899 640 S HN 0.466 nan 8.310 nan 0.000 0.497 641 T N 2.406 116.973 114.554 0.023 0.000 3.069 641 T HA 0.232 4.620 4.350 0.063 0.000 0.252 641 T C 0.949 175.514 174.700 -0.225 0.000 1.053 641 T CA 0.085 62.133 62.100 -0.086 0.000 0.964 641 T CB -0.263 68.498 68.868 -0.178 0.000 1.005 641 T HN 0.682 nan 8.240 nan 0.000 0.532 642 Y N 0.746 121.049 120.300 0.005 0.000 2.464 642 Y HA 0.500 5.088 4.550 0.063 0.000 0.288 642 Y C 0.735 176.591 175.900 -0.074 0.000 1.133 642 Y CA -0.455 57.623 58.100 -0.035 0.000 1.223 642 Y CB 0.750 39.191 38.460 -0.032 0.000 1.187 642 Y HN 0.167 nan 8.280 nan 0.000 0.539 643 I N 1.622 122.251 120.570 0.099 0.000 2.418 643 I HA 0.321 4.529 4.170 0.063 0.000 0.287 643 I C -0.652 175.570 176.117 0.175 0.000 1.008 643 I CA -0.771 60.530 61.300 0.003 0.000 1.104 643 I CB 1.385 39.249 38.000 -0.228 0.000 1.264 643 I HN 0.004 nan 8.210 nan 0.000 0.438 644 K N 3.650 124.138 120.400 0.147 0.000 2.501 644 K HA 0.351 4.709 4.320 0.063 0.000 0.252 644 K C -0.652 175.787 176.600 -0.268 0.000 0.934 644 K CA -0.360 55.942 56.287 0.026 0.000 0.797 644 K CB 2.294 34.764 32.500 -0.050 0.000 1.270 644 K HN 0.557 nan 8.250 nan 0.000 0.431 645 S N 5.008 120.264 115.700 -0.741 0.000 2.498 645 S HA 0.228 4.736 4.470 0.063 0.000 0.281 645 S C -2.076 172.132 174.600 -0.653 0.000 1.265 645 S CA -1.018 56.358 58.200 -1.373 0.000 1.071 645 S CB 0.283 62.473 63.200 -1.683 0.000 0.894 645 S HN 0.402 nan 8.310 nan 0.000 0.491 646 P HA 0.309 nan 4.420 nan 0.000 0.277 646 P C -2.318 174.622 177.300 -0.600 0.000 1.240 646 P CA -1.706 61.040 63.100 -0.590 0.000 0.798 646 P CB 0.498 31.774 31.700 -0.706 0.000 0.979 647 P HA 0.077 nan 4.420 nan 0.000 0.249 647 P C 1.262 178.387 177.300 -0.292 0.000 1.229 647 P CA 0.332 63.216 63.100 -0.360 0.000 0.788 647 P CB -0.204 31.362 31.700 -0.223 0.000 1.072 648 F N -0.577 119.164 119.950 -0.348 0.000 2.192 648 F HA -0.145 4.420 4.527 0.064 0.000 0.301 648 F C 1.331 176.841 175.800 -0.483 0.000 1.079 648 F CA 0.807 58.456 58.000 -0.586 0.000 1.303 648 F CB -0.801 37.482 39.000 -1.195 0.000 1.024 648 F HN -0.141 nan 8.300 nan 0.000 0.494 649 F N -0.260 119.794 119.950 0.173 0.000 2.654 649 F HA 0.190 4.755 4.527 0.063 0.000 0.303 649 F C 0.765 176.614 175.800 0.082 0.000 1.099 649 F CA -1.149 56.924 58.000 0.123 0.000 1.270 649 F CB -0.980 38.091 39.000 0.119 0.000 1.024 649 F HN -0.159 nan 8.300 nan 0.000 0.548 650 E N 1.684 121.974 120.200 0.150 0.000 2.558 650 E HA -0.098 4.290 4.350 0.063 0.000 0.255 650 E C 0.280 176.947 176.600 0.111 0.000 0.968 650 E CA 0.482 56.941 56.400 0.097 0.000 0.939 650 E CB -0.111 29.613 29.700 0.040 0.000 0.921 650 E HN 0.521 nan 8.360 nan 0.000 0.477 651 N N 1.552 120.308 118.700 0.093 0.000 2.708 651 N HA -0.265 4.513 4.740 0.063 0.000 0.251 651 N C -0.396 175.169 175.510 0.092 0.000 1.123 651 N CA -0.035 53.063 53.050 0.079 0.000 0.739 651 N CB -0.993 37.531 38.487 0.062 0.000 1.113 651 N HN 0.319 nan 8.380 nan 0.000 0.561 652 L N 1.753 123.050 121.223 0.123 0.000 2.499 652 L HA 0.130 4.508 4.340 0.063 0.000 0.273 652 L C 0.940 177.857 176.870 0.078 0.000 1.195 652 L CA 0.755 55.668 54.840 0.121 0.000 0.882 652 L CB 0.552 42.706 42.059 0.158 0.000 1.133 652 L HN 0.222 nan 8.230 nan 0.000 0.483 653 T N 2.007 116.599 114.554 0.063 0.000 2.925 653 T HA 0.335 4.723 4.350 0.063 0.000 0.285 653 T C 0.896 175.616 174.700 0.034 0.000 1.021 653 T CA -0.893 61.233 62.100 0.043 0.000 1.042 653 T CB 1.281 70.171 68.868 0.036 0.000 1.037 653 T HN 0.481 nan 8.240 nan 0.000 0.481 654 L N 0.739 121.976 121.223 0.024 0.000 2.056 654 L HA 0.196 4.574 4.340 0.063 0.000 0.207 654 L C 0.563 177.444 176.870 0.018 0.000 1.078 654 L CA 1.700 56.549 54.840 0.015 0.000 0.749 654 L CB -0.883 41.182 42.059 0.010 0.000 0.901 654 L HN 0.727 nan 8.230 nan 0.000 0.433 655 D N -0.559 119.852 120.400 0.019 0.000 2.304 655 D HA 0.320 4.998 4.640 0.063 0.000 0.247 655 D C -0.148 176.162 176.300 0.017 0.000 1.089 655 D CA -0.018 53.993 54.000 0.018 0.000 0.910 655 D CB 0.893 41.702 40.800 0.015 0.000 1.199 655 D HN -0.025 nan 8.370 nan 0.000 0.426 656 L N 1.988 123.218 121.223 0.013 0.000 2.307 656 L HA 0.295 4.673 4.340 0.063 0.000 0.282 656 L C 0.393 177.258 176.870 -0.007 0.000 1.051 656 L CA -0.821 54.019 54.840 0.001 0.000 0.804 656 L CB 0.958 43.016 42.059 -0.003 0.000 1.197 656 L HN 0.032 nan 8.230 nan 0.000 0.431 657 Q N 2.217 122.008 119.800 -0.016 0.000 2.266 657 Q HA 0.494 4.872 4.340 0.063 0.000 0.261 657 Q C -2.174 173.801 176.000 -0.042 0.000 0.985 657 Q CA -1.993 53.798 55.803 -0.019 0.000 0.873 657 Q CB 1.355 30.087 28.738 -0.010 0.000 1.306 657 Q HN 0.326 nan 8.270 nan 0.000 0.447 658 P HA 0.139 nan 4.420 nan 0.000 0.268 658 P C -2.372 174.894 177.300 -0.057 0.000 1.208 658 P CA -0.724 62.351 63.100 -0.042 0.000 0.777 658 P CB -0.411 31.281 31.700 -0.014 0.000 0.875 659 P HA 0.219 nan 4.420 nan 0.000 0.271 659 P C -0.595 176.727 177.300 0.037 0.000 1.216 659 P CA 0.015 63.084 63.100 -0.051 0.000 0.771 659 P CB 0.602 32.291 31.700 -0.018 0.000 0.864 660 K N 1.012 121.441 120.400 0.048 0.000 2.166 660 K HA 0.485 4.843 4.320 0.063 0.000 0.245 660 K C 0.155 176.803 176.600 0.079 0.000 0.967 660 K CA -0.728 55.591 56.287 0.053 0.000 0.863 660 K CB 0.979 33.499 32.500 0.033 0.000 1.107 660 K HN 0.316 nan 8.250 nan 0.000 0.436 661 S N 0.895 116.630 115.700 0.059 0.000 2.569 661 S HA 0.047 4.555 4.470 0.063 0.000 0.274 661 S C 0.393 175.023 174.600 0.051 0.000 1.353 661 S CA -0.282 57.950 58.200 0.053 0.000 1.023 661 S CB 0.077 63.292 63.200 0.025 0.000 0.876 661 S HN 0.313 nan 8.310 nan 0.000 0.540 662 I N 2.216 122.815 120.570 0.048 0.000 2.352 662 I HA 0.212 4.420 4.170 0.063 0.000 0.290 662 I C -0.585 175.544 176.117 0.020 0.000 1.036 662 I CA -0.212 61.111 61.300 0.039 0.000 1.336 662 I CB 0.786 38.811 38.000 0.042 0.000 1.407 662 I HN 0.215 nan 8.210 nan 0.000 0.497 663 V N 5.975 125.898 119.914 0.014 0.000 2.384 663 V HA 0.220 4.378 4.120 0.063 0.000 0.287 663 V C -0.157 175.930 176.094 -0.013 0.000 1.020 663 V CA -0.673 61.626 62.300 -0.001 0.000 0.850 663 V CB 1.296 33.119 31.823 0.001 0.000 0.987 663 V HN 0.802 nan 8.190 nan 0.000 0.436 664 D N 2.543 122.922 120.400 -0.035 0.000 2.697 664 D HA -0.186 4.492 4.640 0.063 0.000 0.235 664 D C 0.597 176.837 176.300 -0.100 0.000 1.167 664 D CA 1.166 55.116 54.000 -0.082 0.000 0.656 664 D CB -0.375 40.370 40.800 -0.091 0.000 1.025 664 D HN 0.864 nan 8.370 nan 0.000 0.419 665 A N 0.163 122.963 122.820 -0.034 0.000 2.462 665 A HA 0.333 4.691 4.320 0.063 0.000 0.243 665 A C 0.045 177.579 177.584 -0.083 0.000 1.076 665 A CA -0.002 52.019 52.037 -0.027 0.000 0.773 665 A CB 0.375 19.378 19.000 0.006 0.000 1.010 665 A HN 0.200 nan 8.150 nan 0.000 0.493 666 Y N 0.744 120.987 120.300 -0.095 0.000 2.307 666 Y HA 0.364 4.952 4.550 0.063 0.000 0.324 666 Y C 0.556 176.334 175.900 -0.203 0.000 1.238 666 Y CA -0.116 57.896 58.100 -0.146 0.000 1.280 666 Y CB 1.392 39.612 38.460 -0.401 0.000 1.248 666 Y HN 0.360 nan 8.280 nan 0.000 0.508 667 V N 5.268 125.243 119.914 0.102 0.000 2.368 667 V HA -0.008 4.150 4.120 0.063 0.000 0.266 667 V C 0.776 176.946 176.094 0.126 0.000 1.045 667 V CA -0.211 62.104 62.300 0.025 0.000 0.899 667 V CB 0.682 32.558 31.823 0.090 0.000 1.006 667 V HN 0.752 nan 8.190 nan 0.000 0.470 668 L N 6.473 127.686 121.223 -0.017 0.000 2.093 668 L HA 0.150 4.528 4.340 0.063 0.000 0.208 668 L C 0.361 177.311 176.870 0.132 0.000 1.085 668 L CA 2.055 56.915 54.840 0.033 0.000 0.755 668 L CB 0.155 42.188 42.059 -0.043 0.000 0.904 668 L HN 0.514 nan 8.230 nan 0.000 0.435 669 L N -0.565 120.640 121.223 -0.029 0.000 2.445 669 L HA 0.390 4.768 4.340 0.063 0.000 0.262 669 L C -0.821 175.819 176.870 -0.383 0.000 0.974 669 L CA -0.513 54.225 54.840 -0.170 0.000 0.822 669 L CB 1.481 43.308 42.059 -0.386 0.000 1.339 669 L HN -0.191 nan 8.230 nan 0.000 0.409 670 N N 3.100 121.361 118.700 -0.732 0.000 2.609 670 N HA 0.543 5.321 4.740 0.063 0.000 0.234 670 N C -1.311 173.953 175.510 -0.410 0.000 1.001 670 N CA -0.176 52.455 53.050 -0.699 0.000 0.926 670 N CB 0.450 38.230 38.487 -1.179 0.000 1.130 670 N HN 0.517 nan 8.380 nan 0.000 0.510 671 L N 0.871 121.936 121.223 -0.263 0.000 2.358 671 L HA 0.714 5.092 4.340 0.063 0.000 0.268 671 L C 1.473 178.280 176.870 -0.106 0.000 1.032 671 L CA -1.010 53.743 54.840 -0.146 0.000 0.805 671 L CB 1.437 43.465 42.059 -0.050 0.000 1.253 671 L HN 0.370 nan 8.230 nan 0.000 0.452 672 G N -0.580 108.178 108.800 -0.069 0.000 2.849 672 G HA2 0.262 4.260 3.960 0.063 0.000 0.174 672 G HA3 0.262 4.260 3.960 0.063 0.000 0.174 672 G C -0.814 174.074 174.900 -0.021 0.000 1.370 672 G CA -0.435 44.634 45.100 -0.052 0.000 1.040 672 G HN 0.514 nan 8.290 nan 0.000 0.582 673 D N -0.225 120.169 120.400 -0.010 0.000 2.354 673 D HA 0.312 4.990 4.640 0.063 0.000 0.247 673 D C 1.033 177.337 176.300 0.006 0.000 1.138 673 D CA 0.959 54.968 54.000 0.014 0.000 0.958 673 D CB 1.214 42.039 40.800 0.041 0.000 1.144 673 D HN 0.670 nan 8.370 nan 0.000 0.458 674 S N -1.492 114.207 115.700 -0.001 0.000 3.491 674 S HA -0.190 4.318 4.470 0.063 0.000 0.371 674 S C 0.039 174.533 174.600 -0.177 0.000 0.980 674 S CA -0.046 58.121 58.200 -0.055 0.000 1.204 674 S CB -2.218 60.986 63.200 0.007 0.000 0.915 674 S HN 0.299 nan 8.310 nan 0.000 0.482 675 V N 2.989 122.793 119.914 -0.183 0.000 2.421 675 V HA 0.392 4.550 4.120 0.063 0.000 0.271 675 V C 1.513 177.381 176.094 -0.377 0.000 1.031 675 V CA 0.404 62.511 62.300 -0.321 0.000 1.032 675 V CB 0.128 31.892 31.823 -0.098 0.000 1.009 675 V HN 0.866 nan 8.190 nan 0.000 0.477 676 T N 1.331 115.698 114.554 -0.312 0.000 2.849 676 T HA 0.156 4.544 4.350 0.063 0.000 0.284 676 T C 1.357 175.943 174.700 -0.190 0.000 1.004 676 T CA 0.099 62.069 62.100 -0.216 0.000 1.021 676 T CB 1.229 69.982 68.868 -0.191 0.000 1.013 676 T HN 0.778 nan 8.240 nan 0.000 0.527 677 T N -1.822 112.600 114.554 -0.220 0.000 3.113 677 T HA -0.032 4.356 4.350 0.063 0.000 0.263 677 T C 1.233 175.867 174.700 -0.111 0.000 1.143 677 T CA 0.615 62.583 62.100 -0.220 0.000 1.090 677 T CB -0.349 68.418 68.868 -0.170 0.000 0.922 677 T HN 0.635 nan 8.240 nan 0.000 0.521 678 D N 1.095 121.464 120.400 -0.051 0.000 2.149 678 D HA -0.049 4.629 4.640 0.063 0.000 0.201 678 D C 1.796 178.026 176.300 -0.116 0.000 0.972 678 D CA 0.994 54.961 54.000 -0.055 0.000 0.835 678 D CB -0.063 40.714 40.800 -0.039 0.000 0.966 678 D HN 0.542 nan 8.370 nan 0.000 0.476 679 H N 0.269 119.279 119.070 -0.100 0.000 2.363 679 H HA 0.050 4.644 4.556 0.063 0.000 0.301 679 H C 2.182 177.449 175.328 -0.101 0.000 1.074 679 H CA 0.818 56.837 56.048 -0.048 0.000 1.354 679 H CB 0.040 29.794 29.762 -0.014 0.000 1.397 679 H HN 0.129 nan 8.280 nan 0.000 0.516 680 I N -1.249 119.251 120.570 -0.117 0.000 2.286 680 I HA -0.114 4.094 4.170 0.063 0.000 0.245 680 I C 0.763 176.587 176.117 -0.489 0.000 1.104 680 I CA 0.984 61.985 61.300 -0.498 0.000 1.397 680 I CB 0.224 37.931 38.000 -0.487 0.000 1.072 680 I HN 0.044 nan 8.210 nan 0.000 0.417 681 S N 1.527 117.056 115.700 -0.284 0.000 2.293 681 S HA 0.324 4.831 4.470 0.063 0.000 0.154 681 S C -2.538 171.932 174.600 -0.217 0.000 1.602 681 S CA -1.539 56.511 58.200 -0.250 0.000 1.260 681 S CB 0.312 63.450 63.200 -0.104 0.000 1.270 681 S HN -0.126 nan 8.310 nan 0.000 0.416 682 P HA 0.148 nan 4.420 nan 0.000 0.266 682 P C 0.130 177.394 177.300 -0.061 0.000 1.193 682 P CA 0.078 63.092 63.100 -0.144 0.000 0.770 682 P CB 0.893 32.515 31.700 -0.131 0.000 0.836 683 A N 2.109 124.996 122.820 0.111 0.000 2.469 683 A HA 0.431 4.789 4.320 0.063 0.000 0.245 683 A C 1.222 178.953 177.584 0.246 0.000 1.221 683 A CA 0.716 52.848 52.037 0.160 0.000 0.946 683 A CB -0.131 18.991 19.000 0.203 0.000 1.049 683 A HN 0.592 nan 8.150 nan 0.000 0.529 684 G N 0.227 109.178 108.800 0.252 0.000 3.227 684 G HA2 0.312 4.310 3.960 0.063 0.000 0.171 684 G HA3 0.312 4.310 3.960 0.063 0.000 0.171 684 G C 0.029 174.972 174.900 0.071 0.000 1.463 684 G CA -0.289 44.918 45.100 0.179 0.000 1.016 684 G HN 0.375 nan 8.290 nan 0.000 0.594 685 N N -0.249 118.468 118.700 0.029 0.000 2.293 685 N HA -0.003 4.775 4.740 0.063 0.000 0.253 685 N C -0.100 175.311 175.510 -0.166 0.000 1.248 685 N CA 0.282 53.305 53.050 -0.044 0.000 0.845 685 N CB 0.066 38.538 38.487 -0.023 0.000 1.073 685 N HN 0.215 nan 8.380 nan 0.000 0.464 686 I N 2.662 123.077 120.570 -0.259 0.000 2.297 686 I HA 0.264 4.472 4.170 0.063 0.000 0.291 686 I C 0.574 176.679 176.117 -0.021 0.000 1.033 686 I CA -0.854 60.204 61.300 -0.403 0.000 1.253 686 I CB 0.807 38.474 38.000 -0.554 0.000 1.396 686 I HN 0.587 nan 8.210 nan 0.000 0.476 687 A N 6.534 129.364 122.820 0.015 0.000 2.462 687 A HA 0.221 4.579 4.320 0.063 0.000 0.243 687 A C 1.315 178.972 177.584 0.122 0.000 1.076 687 A CA -0.111 51.970 52.037 0.073 0.000 0.773 687 A CB 0.261 19.305 19.000 0.073 0.000 1.010 687 A HN 0.842 nan 8.150 nan 0.000 0.493 688 R N 0.829 121.407 120.500 0.130 0.000 2.120 688 R HA -0.122 4.256 4.340 0.063 0.000 0.234 688 R C -0.208 176.158 176.300 0.110 0.000 1.123 688 R CA 1.543 57.742 56.100 0.165 0.000 0.975 688 R CB -0.222 30.128 30.300 0.085 0.000 0.866 688 R HN 0.875 nan 8.270 nan 0.000 0.446 689 N N 0.739 119.484 118.700 0.075 0.000 3.229 689 N HA 0.052 4.830 4.740 0.063 0.000 0.275 689 N C -1.168 174.378 175.510 0.059 0.000 1.225 689 N CA -0.318 52.768 53.050 0.060 0.000 1.119 689 N CB 1.059 39.576 38.487 0.050 0.000 1.392 689 N HN 0.016 nan 8.380 nan 0.000 0.520 690 S N -1.526 114.202 115.700 0.048 0.000 2.556 690 S HA 0.555 5.063 4.470 0.063 0.000 0.271 690 S C -2.450 172.149 174.600 -0.002 0.000 1.135 690 S CA -1.234 56.991 58.200 0.041 0.000 0.858 690 S CB 2.412 65.651 63.200 0.065 0.000 1.114 690 S HN -0.109 nan 8.310 nan 0.000 0.468 691 P HA -0.113 nan 4.420 nan 0.000 0.216 691 P C 1.558 178.756 177.300 -0.169 0.000 1.154 691 P CA 2.371 65.422 63.100 -0.081 0.000 0.865 691 P CB -0.137 31.480 31.700 -0.138 0.000 0.789 692 A N -0.540 122.175 122.820 -0.174 0.000 1.969 692 A HA -0.020 4.338 4.320 0.063 0.000 0.218 692 A C 2.279 179.677 177.584 -0.309 0.000 1.169 692 A CA 1.786 53.688 52.037 -0.226 0.000 0.635 692 A CB -1.430 17.507 19.000 -0.105 0.000 0.810 692 A HN 0.200 nan 8.150 nan 0.000 0.445 693 A N 0.095 122.719 122.820 -0.327 0.000 1.898 693 A HA -0.118 4.240 4.320 0.063 0.000 0.216 693 A C 2.224 179.660 177.584 -0.247 0.000 1.181 693 A CA 1.327 53.066 52.037 -0.496 0.000 0.620 693 A CB -0.428 18.497 19.000 -0.125 0.000 0.819 693 A HN 0.538 nan 8.150 nan 0.000 0.442 694 R N -1.969 118.470 120.500 -0.102 0.000 2.081 694 R HA -0.166 4.212 4.340 0.063 0.000 0.235 694 R C 2.175 178.442 176.300 -0.056 0.000 1.131 694 R CA 1.722 57.796 56.100 -0.043 0.000 0.960 694 R CB -0.592 29.704 30.300 -0.007 0.000 0.856 694 R HN 0.731 nan 8.270 nan 0.000 0.436 695 Y N 1.494 121.671 120.300 -0.204 0.000 2.181 695 Y HA -0.159 4.429 4.550 0.063 0.000 0.288 695 Y C 1.919 177.693 175.900 -0.209 0.000 1.146 695 Y CA 1.444 59.424 58.100 -0.201 0.000 1.164 695 Y CB -0.164 38.142 38.460 -0.256 0.000 0.982 695 Y HN -0.067 nan 8.280 nan 0.000 0.515 696 L N -0.837 120.253 121.223 -0.221 0.000 2.156 696 L HA -0.173 4.204 4.340 0.063 0.000 0.208 696 L C 2.343 179.096 176.870 -0.195 0.000 1.095 696 L CA 1.516 56.168 54.840 -0.312 0.000 0.770 696 L CB -0.757 41.020 42.059 -0.471 0.000 0.914 696 L HN 0.221 nan 8.230 nan 0.000 0.439 697 T N -0.421 114.065 114.554 -0.114 0.000 2.708 697 T HA -0.149 4.239 4.350 0.063 0.000 0.266 697 T C 1.711 176.368 174.700 -0.071 0.000 1.037 697 T CA 1.353 63.453 62.100 0.001 0.000 1.146 697 T CB -0.229 68.671 68.868 0.053 0.000 0.865 697 T HN 0.274 nan 8.240 nan 0.000 0.435 698 N N 1.072 119.693 118.700 -0.132 0.000 2.192 698 N HA -0.070 4.708 4.740 0.063 0.000 0.188 698 N C 1.654 177.052 175.510 -0.187 0.000 1.013 698 N CA 0.828 53.788 53.050 -0.150 0.000 0.863 698 N CB -0.144 38.239 38.487 -0.173 0.000 0.990 698 N HN 0.261 nan 8.380 nan 0.000 0.430 699 R N -0.200 120.140 120.500 -0.267 0.000 2.310 699 R HA 0.144 4.522 4.340 0.063 0.000 0.202 699 R C 0.824 177.048 176.300 -0.127 0.000 0.933 699 R CA 0.413 56.367 56.100 -0.243 0.000 1.054 699 R CB -0.344 29.737 30.300 -0.364 0.000 0.985 699 R HN 0.269 nan 8.270 nan 0.000 0.489 700 G N 1.076 109.825 108.800 -0.084 0.000 2.132 700 G HA2 -0.229 3.768 3.960 0.063 0.000 0.228 700 G HA3 -0.229 3.768 3.960 0.063 0.000 0.228 700 G C -0.062 174.839 174.900 0.001 0.000 1.000 700 G CA -0.258 44.822 45.100 -0.034 0.000 0.693 700 G HN 0.200 nan 8.290 nan 0.000 0.515 701 L N 1.418 122.660 121.223 0.032 0.000 2.322 701 L HA 0.634 5.012 4.340 0.063 0.000 0.279 701 L C 1.311 178.271 176.870 0.150 0.000 1.036 701 L CA -0.389 54.510 54.840 0.099 0.000 0.807 701 L CB 1.571 43.721 42.059 0.151 0.000 1.226 701 L HN 0.361 nan 8.230 nan 0.000 0.433 702 T N -1.309 113.267 114.554 0.036 0.000 2.874 702 T HA 0.278 4.666 4.350 0.063 0.000 0.281 702 T C -2.015 172.396 174.700 -0.482 0.000 0.994 702 T CA -1.815 60.216 62.100 -0.115 0.000 1.015 702 T CB 1.436 70.237 68.868 -0.112 0.000 1.028 702 T HN 0.309 nan 8.240 nan 0.000 0.523 703 P HA -0.157 nan 4.420 nan 0.000 0.216 703 P C 1.348 178.137 177.300 -0.852 0.000 1.153 703 P CA 1.185 63.284 63.100 -1.669 0.000 0.858 703 P CB -0.073 31.092 31.700 -0.892 0.000 0.789 704 R N 0.119 120.367 120.500 -0.419 0.000 2.241 704 R HA -0.089 4.289 4.340 0.063 0.000 0.224 704 R C 1.631 177.865 176.300 -0.110 0.000 1.101 704 R CA 1.258 57.235 56.100 -0.206 0.000 0.995 704 R CB -1.260 28.963 30.300 -0.128 0.000 0.870 704 R HN 0.339 nan 8.270 nan 0.000 0.463 705 E N 0.090 120.232 120.200 -0.098 0.000 2.472 705 E HA 0.052 4.440 4.350 0.063 0.000 0.196 705 E C 0.820 177.529 176.600 0.182 0.000 1.033 705 E CA -0.210 56.221 56.400 0.053 0.000 0.886 705 E CB 0.047 29.789 29.700 0.070 0.000 0.944 705 E HN 0.174 nan 8.360 nan 0.000 0.492 706 F N 1.789 121.704 119.950 -0.058 0.000 2.120 706 F HA -0.184 4.381 4.527 0.063 0.000 0.300 706 F C 1.494 177.239 175.800 -0.092 0.000 1.095 706 F CA 1.001 58.937 58.000 -0.107 0.000 1.249 706 F CB -1.041 37.873 39.000 -0.143 0.000 0.995 706 F HN 0.057 nan 8.300 nan 0.000 0.480 707 N N -0.592 118.208 118.700 0.166 0.000 6.750 707 N HA -0.226 4.552 4.740 0.063 0.000 0.412 707 N C 0.019 175.561 175.510 0.053 0.000 0.937 707 N CA 0.934 54.061 53.050 0.129 0.000 1.334 707 N CB -0.723 37.898 38.487 0.223 0.000 0.815 707 N HN 0.288 nan 8.380 nan 0.000 0.330 708 S N -1.037 114.704 115.700 0.068 0.000 2.693 708 S HA 0.444 4.952 4.470 0.063 0.000 0.276 708 S C 1.376 175.923 174.600 -0.088 0.000 1.192 708 S CA -0.207 57.998 58.200 0.008 0.000 0.994 708 S CB 0.765 64.065 63.200 0.166 0.000 1.012 708 S HN 0.500 nan 8.310 nan 0.000 0.550 709 Y N 0.994 121.234 120.300 -0.099 0.000 2.181 709 Y HA -0.032 4.556 4.550 0.063 0.000 0.288 709 Y C 2.778 178.464 175.900 -0.356 0.000 1.146 709 Y CA 1.183 59.153 58.100 -0.217 0.000 1.164 709 Y CB -0.792 37.552 38.460 -0.194 0.000 0.982 709 Y HN 0.906 nan 8.280 nan 0.000 0.515 710 G N -0.734 107.848 108.800 -0.363 0.000 2.442 710 G HA2 -0.336 3.662 3.960 0.063 0.000 0.219 710 G HA3 -0.336 3.662 3.960 0.063 0.000 0.219 710 G C 1.799 176.147 174.900 -0.919 0.000 1.141 710 G CA 1.269 45.686 45.100 -1.138 0.000 0.763 710 G HN 0.476 nan 8.290 nan 0.000 0.554 711 S N 0.086 115.529 115.700 -0.427 0.000 2.474 711 S HA 0.035 4.543 4.470 0.063 0.000 0.235 711 S C 1.922 176.578 174.600 0.094 0.000 0.997 711 S CA 0.499 58.701 58.200 0.003 0.000 0.949 711 S CB -0.075 63.253 63.200 0.213 0.000 0.766 711 S HN 0.272 nan 8.310 nan 0.000 0.517 712 R N 0.633 121.099 120.500 -0.057 0.000 2.388 712 R HA 0.323 4.701 4.340 0.063 0.000 0.247 712 R C 1.472 177.661 176.300 -0.184 0.000 0.931 712 R CA -0.115 55.923 56.100 -0.103 0.000 1.082 712 R CB -0.264 29.913 30.300 -0.205 0.000 1.135 712 R HN 0.482 nan 8.270 nan 0.000 0.525 713 R N -0.147 120.252 120.500 -0.169 0.000 2.237 713 R HA -0.028 4.350 4.340 0.063 0.000 0.219 713 R C 1.762 178.100 176.300 0.064 0.000 1.080 713 R CA 1.113 57.097 56.100 -0.193 0.000 0.995 713 R CB -0.046 30.235 30.300 -0.032 0.000 0.875 713 R HN 0.163 nan 8.270 nan 0.000 0.462 714 G N 0.157 108.992 108.800 0.060 0.000 2.920 714 G HA2 -0.132 3.866 3.960 0.063 0.000 0.208 714 G HA3 -0.132 3.866 3.960 0.063 0.000 0.208 714 G C 0.200 175.120 174.900 0.034 0.000 1.159 714 G CA -0.159 44.990 45.100 0.081 0.000 0.784 714 G HN 0.092 nan 8.290 nan 0.000 0.535 715 N N 1.092 119.756 118.700 -0.059 0.000 2.626 715 N HA 0.069 4.847 4.740 0.063 0.000 0.249 715 N C 0.937 176.305 175.510 -0.237 0.000 1.021 715 N CA -0.467 52.507 53.050 -0.127 0.000 0.886 715 N CB 1.061 39.450 38.487 -0.163 0.000 1.149 715 N HN 0.259 nan 8.380 nan 0.000 0.517 716 D N 2.123 122.454 120.400 -0.115 0.000 2.263 716 D HA -0.176 4.502 4.640 0.063 0.000 0.208 716 D C 1.196 177.339 176.300 -0.262 0.000 0.971 716 D CA 0.598 54.545 54.000 -0.087 0.000 0.867 716 D CB 0.179 41.061 40.800 0.138 0.000 0.929 716 D HN 0.431 nan 8.370 nan 0.000 0.492 717 A N 1.290 123.908 122.820 -0.338 0.000 1.902 717 A HA -0.083 4.275 4.320 0.063 0.000 0.217 717 A C 2.642 179.748 177.584 -0.797 0.000 1.181 717 A CA 1.455 53.167 52.037 -0.540 0.000 0.623 717 A CB -0.817 17.804 19.000 -0.630 0.000 0.818 717 A HN 0.207 nan 8.150 nan 0.000 0.443 718 V N -0.147 119.313 119.914 -0.757 0.000 2.358 718 V HA -0.242 3.916 4.120 0.063 0.000 0.246 718 V C 2.647 178.427 176.094 -0.523 0.000 1.047 718 V CA 1.904 63.832 62.300 -0.620 0.000 1.035 718 V CB -0.653 30.915 31.823 -0.424 0.000 0.658 718 V HN 0.482 nan 8.190 nan 0.000 0.452 719 M N 0.022 119.219 119.600 -0.672 0.000 2.200 719 M HA -0.001 4.517 4.480 0.063 0.000 0.265 719 M C 2.426 178.399 176.300 -0.545 0.000 1.066 719 M CA 1.911 56.674 55.300 -0.895 0.000 1.127 719 M CB -1.663 29.687 32.600 -2.083 0.000 1.379 719 M HN 0.369 nan 8.290 nan 0.000 0.420 720 A N 0.522 123.150 122.820 -0.320 0.000 1.883 720 A HA -0.185 4.173 4.320 0.063 0.000 0.217 720 A C 2.386 179.933 177.584 -0.062 0.000 1.186 720 A CA 1.715 53.763 52.037 0.018 0.000 0.624 720 A CB -0.652 18.457 19.000 0.183 0.000 0.822 720 A HN 0.471 nan 8.150 nan 0.000 0.444 721 R N -1.050 119.176 120.500 -0.457 0.000 2.120 721 R HA -0.084 4.294 4.340 0.063 0.000 0.234 721 R C 2.096 178.233 176.300 -0.272 0.000 1.123 721 R CA 0.947 56.659 56.100 -0.648 0.000 0.975 721 R CB -0.459 29.316 30.300 -0.875 0.000 0.866 721 R HN 0.523 nan 8.270 nan 0.000 0.446 722 G N 0.112 108.718 108.800 -0.323 0.000 2.848 722 G HA2 -0.075 3.923 3.960 0.063 0.000 0.208 722 G HA3 -0.075 3.923 3.960 0.063 0.000 0.208 722 G C 0.152 174.785 174.900 -0.443 0.000 1.152 722 G CA 0.039 44.806 45.100 -0.555 0.000 0.789 722 G HN 0.130 nan 8.290 nan 0.000 0.531 723 T N 1.067 115.501 114.554 -0.200 0.000 2.832 723 T HA 0.304 4.692 4.350 0.063 0.000 0.296 723 T C 0.280 174.981 174.700 0.002 0.000 0.968 723 T CA -0.244 61.759 62.100 -0.162 0.000 1.107 723 T CB 0.426 69.289 68.868 -0.008 0.000 0.916 723 T HN 0.272 nan 8.240 nan 0.000 0.517 724 F N 0.093 120.053 119.950 0.018 0.000 3.100 724 F HA -0.285 4.280 4.527 0.063 0.000 0.284 724 F C 1.585 177.404 175.800 0.032 0.000 0.875 724 F CA 0.452 58.481 58.000 0.049 0.000 1.039 724 F CB -2.075 36.983 39.000 0.097 0.000 1.111 724 F HN 0.699 nan 8.300 nan 0.000 0.575 725 A N -0.787 122.066 122.820 0.056 0.000 2.251 725 A HA 0.061 4.419 4.320 0.063 0.000 0.209 725 A C 1.191 178.809 177.584 0.058 0.000 1.187 725 A CA 0.185 52.253 52.037 0.052 0.000 0.823 725 A CB -0.186 18.808 19.000 -0.010 0.000 0.846 725 A HN 0.352 nan 8.150 nan 0.000 0.486 726 N N 1.485 120.205 118.700 0.033 0.000 2.447 726 N HA 0.014 4.792 4.740 0.063 0.000 0.263 726 N C 1.076 176.617 175.510 0.052 0.000 1.226 726 N CA 0.151 53.208 53.050 0.011 0.000 0.906 726 N CB 0.493 38.933 38.487 -0.078 0.000 1.060 726 N HN 0.514 nan 8.380 nan 0.000 0.468 727 I N 1.187 121.787 120.570 0.049 0.000 3.241 727 I HA -0.041 4.167 4.170 0.063 0.000 0.280 727 I C 0.942 177.098 176.117 0.065 0.000 1.320 727 I CA 0.840 62.178 61.300 0.063 0.000 1.413 727 I CB 0.029 38.062 38.000 0.056 0.000 1.060 727 I HN 0.343 nan 8.210 nan 0.000 0.500 728 R N 0.536 121.069 120.500 0.056 0.000 2.472 728 R HA 0.334 4.712 4.340 0.063 0.000 0.279 728 R C 0.133 176.550 176.300 0.195 0.000 0.953 728 R CA -0.690 55.467 56.100 0.095 0.000 1.088 728 R CB 0.439 30.780 30.300 0.069 0.000 1.197 728 R HN 0.231 nan 8.270 nan 0.000 0.536 729 L N 1.928 123.280 121.223 0.215 0.000 2.578 729 L HA -0.022 4.356 4.340 0.063 0.000 0.279 729 L C -0.341 176.626 176.870 0.161 0.000 1.227 729 L CA 0.620 55.627 54.840 0.277 0.000 0.900 729 L CB 0.370 42.576 42.059 0.245 0.000 1.144 729 L HN 0.021 nan 8.230 nan 0.000 0.496 730 L N 6.229 127.521 121.223 0.115 0.000 2.371 730 L HA 0.414 4.792 4.340 0.063 0.000 0.262 730 L C -0.392 176.483 176.870 0.008 0.000 1.054 730 L CA -0.022 54.846 54.840 0.047 0.000 0.924 730 L CB 0.106 42.173 42.059 0.013 0.000 1.295 730 L HN 0.705 nan 8.230 nan 0.000 0.441 731 N N 2.445 121.155 118.700 0.017 0.000 2.430 731 N HA 0.156 4.934 4.740 0.063 0.000 0.265 731 N C 0.870 176.354 175.510 -0.044 0.000 1.100 731 N CA 0.059 53.090 53.050 -0.031 0.000 0.961 731 N CB 1.014 39.520 38.487 0.033 0.000 1.075 731 N HN 0.497 nan 8.380 nan 0.000 0.478 732 R N 2.502 122.913 120.500 -0.149 0.000 2.285 732 R HA -0.004 4.374 4.340 0.063 0.000 0.213 732 R C 0.844 177.126 176.300 -0.030 0.000 1.068 732 R CA 0.793 56.824 56.100 -0.116 0.000 1.004 732 R CB -0.092 30.107 30.300 -0.169 0.000 0.873 732 R HN 0.500 nan 8.270 nan 0.000 0.467 733 F N 0.311 120.260 119.950 -0.001 0.000 2.234 733 F HA -0.080 4.485 4.527 0.063 0.000 0.299 733 F C 1.687 177.495 175.800 0.012 0.000 1.087 733 F CA 1.035 59.040 58.000 0.009 0.000 1.340 733 F CB -0.057 38.951 39.000 0.012 0.000 1.031 733 F HN -0.035 nan 8.300 nan 0.000 0.500 734 L N -1.315 120.026 121.223 0.196 0.000 2.693 734 L HA 0.169 4.547 4.340 0.063 0.000 0.235 734 L C 0.135 177.051 176.870 0.077 0.000 1.127 734 L CA -0.114 54.799 54.840 0.122 0.000 0.914 734 L CB -0.409 41.716 42.059 0.109 0.000 1.193 734 L HN -0.070 nan 8.230 nan 0.000 0.502 735 N N 2.559 121.295 118.700 0.061 0.000 2.698 735 N HA -0.223 4.555 4.740 0.063 0.000 0.258 735 N C -0.455 175.073 175.510 0.030 0.000 0.978 735 N CA 1.240 54.310 53.050 0.033 0.000 0.777 735 N CB -0.801 37.704 38.487 0.030 0.000 0.907 735 N HN 0.685 nan 8.380 nan 0.000 0.543 736 K N -2.423 117.998 120.400 0.035 0.000 2.685 736 K HA 0.267 4.625 4.320 0.063 0.000 0.290 736 K C -1.261 175.366 176.600 0.047 0.000 1.018 736 K CA -0.971 55.338 56.287 0.036 0.000 0.860 736 K CB 0.936 33.460 32.500 0.040 0.000 1.498 736 K HN -0.054 nan 8.250 nan 0.000 0.390 737 Q N 0.435 120.264 119.800 0.049 0.000 2.296 737 Q HA 0.525 4.903 4.340 0.063 0.000 0.263 737 Q C -0.974 175.068 176.000 0.070 0.000 1.026 737 Q CA -0.049 55.794 55.803 0.065 0.000 0.912 737 Q CB 1.329 30.107 28.738 0.066 0.000 1.198 737 Q HN 0.623 nan 8.270 nan 0.000 0.407 738 A N 4.360 127.230 122.820 0.083 0.000 2.573 738 A HA 0.382 4.740 4.320 0.063 0.000 0.299 738 A C -2.644 175.002 177.584 0.104 0.000 1.060 738 A CA -1.096 50.992 52.037 0.084 0.000 0.736 738 A CB 1.239 20.284 19.000 0.076 0.000 1.280 738 A HN 0.503 nan 8.150 nan 0.000 0.401 739 P HA 0.198 nan 4.420 nan 0.000 0.226 739 P C -0.364 177.017 177.300 0.135 0.000 1.758 739 P CA 0.544 63.724 63.100 0.133 0.000 0.896 739 P CB -0.112 31.662 31.700 0.123 0.000 1.784 740 Q N -0.908 118.964 119.800 0.121 0.000 2.587 740 Q HA 0.699 5.077 4.340 0.063 0.000 0.293 740 Q C -0.511 175.561 176.000 0.121 0.000 1.083 740 Q CA -0.663 55.208 55.803 0.113 0.000 0.792 740 Q CB 2.437 31.230 28.738 0.092 0.000 1.484 740 Q HN -0.028 nan 8.270 nan 0.000 0.446 741 T N -0.668 113.959 114.554 0.122 0.000 2.731 741 T HA 0.579 4.967 4.350 0.063 0.000 0.300 741 T C -1.693 173.064 174.700 0.095 0.000 1.283 741 T CA -0.560 61.635 62.100 0.158 0.000 1.005 741 T CB 0.949 69.937 68.868 0.200 0.000 1.420 741 T HN 0.431 nan 8.240 nan 0.000 0.503 742 I N 2.877 123.468 120.570 0.036 0.000 2.321 742 I HA 0.304 4.512 4.170 0.063 0.000 0.291 742 I C 0.313 176.386 176.117 -0.073 0.000 0.998 742 I CA -0.823 60.428 61.300 -0.082 0.000 1.227 742 I CB 1.096 38.950 38.000 -0.243 0.000 1.368 742 I HN 0.611 nan 8.210 nan 0.000 0.466 743 H N 7.479 126.445 119.070 -0.174 0.000 3.004 743 H HA 0.190 4.784 4.556 0.063 0.000 0.267 743 H C 0.520 175.658 175.328 -0.315 0.000 1.165 743 H CA -0.254 55.595 56.048 -0.331 0.000 1.450 743 H CB 0.957 30.468 29.762 -0.419 0.000 1.488 743 H HN 0.691 nan 8.280 nan 0.000 0.478 744 L N 6.128 127.027 121.223 -0.541 0.000 2.046 744 L HA -0.103 4.275 4.340 0.063 0.000 0.208 744 L C -0.460 176.138 176.870 -0.455 0.000 1.077 744 L CA 0.671 55.266 54.840 -0.409 0.000 0.747 744 L CB -1.458 40.470 42.059 -0.218 0.000 0.896 744 L HN 0.520 nan 8.230 nan 0.000 0.432 745 P HA -0.203 nan 4.420 nan 0.000 0.216 745 P C 1.728 178.876 177.300 -0.253 0.000 1.154 745 P CA 1.998 64.823 63.100 -0.459 0.000 0.865 745 P CB -0.005 31.352 31.700 -0.572 0.000 0.789 746 S N -2.995 112.569 115.700 -0.226 0.000 2.492 746 S HA 0.282 4.790 4.470 0.063 0.000 0.218 746 S C 1.764 176.337 174.600 -0.045 0.000 1.016 746 S CA 0.583 58.768 58.200 -0.025 0.000 0.916 746 S CB -0.722 62.549 63.200 0.119 0.000 0.791 746 S HN 0.284 nan 8.310 nan 0.000 0.513 747 G N 1.002 109.748 108.800 -0.091 0.000 2.179 747 G HA2 -0.262 3.736 3.960 0.063 0.000 0.260 747 G HA3 -0.262 3.736 3.960 0.063 0.000 0.260 747 G C -0.222 174.651 174.900 -0.045 0.000 0.977 747 G CA 0.308 45.363 45.100 -0.075 0.000 0.641 747 G HN 0.626 nan 8.290 nan 0.000 0.533 748 E N -0.207 119.983 120.200 -0.017 0.000 2.354 748 E HA 0.497 4.885 4.350 0.063 0.000 0.269 748 E C 0.452 177.046 176.600 -0.009 0.000 1.036 748 E CA -0.401 55.992 56.400 -0.012 0.000 0.876 748 E CB 1.056 30.745 29.700 -0.018 0.000 1.009 748 E HN 0.388 nan 8.360 nan 0.000 0.416 749 I N 4.331 124.899 120.570 -0.004 0.000 2.342 749 I HA 0.227 4.434 4.170 0.063 0.000 0.291 749 I C -0.306 175.820 176.117 0.015 0.000 1.010 749 I CA -0.079 61.228 61.300 0.012 0.000 1.308 749 I CB 0.306 38.319 38.000 0.022 0.000 1.400 749 I HN 0.240 nan 8.210 nan 0.000 0.488 750 L N 4.867 126.106 121.223 0.027 0.000 2.393 750 L HA 0.453 4.831 4.340 0.063 0.000 0.260 750 L C -0.797 176.111 176.870 0.064 0.000 1.002 750 L CA -1.211 53.645 54.840 0.027 0.000 0.818 750 L CB 2.010 44.061 42.059 -0.014 0.000 1.369 750 L HN 0.415 nan 8.230 nan 0.000 0.412 751 D N 0.690 121.137 120.400 0.079 0.000 2.506 751 D HA -0.001 4.677 4.640 0.063 0.000 0.234 751 D C 1.182 177.569 176.300 0.145 0.000 1.143 751 D CA 0.029 54.100 54.000 0.118 0.000 0.871 751 D CB 1.604 42.482 40.800 0.129 0.000 1.190 751 D HN 0.193 nan 8.370 nan 0.000 0.459 752 V N 2.345 122.365 119.914 0.178 0.000 2.324 752 V HA -0.291 3.867 4.120 0.063 0.000 0.250 752 V C 2.032 178.252 176.094 0.211 0.000 1.060 752 V CA 1.556 63.973 62.300 0.195 0.000 1.042 752 V CB -0.638 31.333 31.823 0.247 0.000 0.650 752 V HN 0.585 nan 8.190 nan 0.000 0.450 753 F N 1.395 121.406 119.950 0.102 0.000 2.171 753 F HA -0.163 4.402 4.527 0.063 0.000 0.300 753 F C 2.132 177.960 175.800 0.045 0.000 1.090 753 F CA 1.902 59.948 58.000 0.076 0.000 1.293 753 F CB -0.260 38.762 39.000 0.037 0.000 1.013 753 F HN 0.195 nan 8.300 nan 0.000 0.486 754 D N 0.759 121.217 120.400 0.097 0.000 2.117 754 D HA -0.129 4.549 4.640 0.063 0.000 0.198 754 D C 2.449 178.649 176.300 -0.167 0.000 0.982 754 D CA 1.475 55.449 54.000 -0.044 0.000 0.828 754 D CB -0.724 40.113 40.800 0.062 0.000 0.967 754 D HN 0.397 nan 8.370 nan 0.000 0.464 755 A N 1.286 124.056 122.820 -0.082 0.000 1.902 755 A HA -0.090 4.268 4.320 0.063 0.000 0.217 755 A C 2.340 179.911 177.584 -0.021 0.000 1.181 755 A CA 2.365 54.348 52.037 -0.090 0.000 0.623 755 A CB -0.769 18.265 19.000 0.056 0.000 0.818 755 A HN 0.237 nan 8.150 nan 0.000 0.443 756 A N -0.438 122.405 122.820 0.038 0.000 1.933 756 A HA -0.195 4.163 4.320 0.063 0.000 0.218 756 A C 1.940 179.478 177.584 -0.076 0.000 1.175 756 A CA 1.682 53.765 52.037 0.077 0.000 0.628 756 A CB -0.551 18.456 19.000 0.011 0.000 0.814 756 A HN 0.641 nan 8.150 nan 0.000 0.444 757 E N -0.516 119.496 120.200 -0.314 0.000 2.058 757 E HA -0.224 4.164 4.350 0.063 0.000 0.194 757 E C 2.375 178.860 176.600 -0.191 0.000 0.997 757 E CA 1.252 57.463 56.400 -0.316 0.000 0.801 757 E CB -0.197 29.247 29.700 -0.427 0.000 0.746 757 E HN 0.543 nan 8.360 nan 0.000 0.450 758 R N -0.244 120.102 120.500 -0.256 0.000 2.083 758 R HA -0.176 4.202 4.340 0.063 0.000 0.237 758 R C 2.317 178.542 176.300 -0.126 0.000 1.137 758 R CA 1.492 57.403 56.100 -0.314 0.000 0.951 758 R CB -0.432 29.408 30.300 -0.767 0.000 0.851 758 R HN 0.258 nan 8.270 nan 0.000 0.434 759 Y N 1.335 121.624 120.300 -0.018 0.000 2.145 759 Y HA -0.218 4.371 4.550 0.063 0.000 0.286 759 Y C 2.579 178.480 175.900 0.002 0.000 1.145 759 Y CA 1.427 59.545 58.100 0.029 0.000 1.148 759 Y CB -0.436 38.039 38.460 0.026 0.000 0.981 759 Y HN 0.129 nan 8.280 nan 0.000 0.507 760 Q N -0.387 119.493 119.800 0.134 0.000 2.124 760 Q HA -0.252 4.126 4.340 0.063 0.000 0.202 760 Q C 2.193 178.205 176.000 0.019 0.000 0.977 760 Q CA 1.630 57.460 55.803 0.045 0.000 0.850 760 Q CB -0.257 28.471 28.738 -0.015 0.000 0.901 760 Q HN 0.591 nan 8.270 nan 0.000 0.429 761 Q N -0.019 119.777 119.800 -0.006 0.000 2.124 761 Q HA -0.110 4.268 4.340 0.063 0.000 0.202 761 Q C 1.759 177.766 176.000 0.011 0.000 0.977 761 Q CA 1.326 57.121 55.803 -0.014 0.000 0.850 761 Q CB -0.096 28.615 28.738 -0.045 0.000 0.901 761 Q HN 0.355 nan 8.270 nan 0.000 0.429 762 A N -0.075 122.767 122.820 0.037 0.000 2.235 762 A HA 0.257 4.615 4.320 0.063 0.000 0.208 762 A C 1.374 179.005 177.584 0.078 0.000 1.172 762 A CA 0.683 52.756 52.037 0.061 0.000 0.786 762 A CB -0.509 18.543 19.000 0.088 0.000 0.804 762 A HN 0.455 nan 8.150 nan 0.000 0.479 763 G N -0.923 107.918 108.800 0.069 0.000 2.198 763 G HA2 -0.223 3.775 3.960 0.063 0.000 0.260 763 G HA3 -0.223 3.775 3.960 0.063 0.000 0.260 763 G C -0.068 174.884 174.900 0.086 0.000 1.025 763 G CA 0.413 45.550 45.100 0.062 0.000 0.769 763 G HN 0.487 nan 8.290 nan 0.000 0.507 764 L N 1.554 122.857 121.223 0.134 0.000 2.264 764 L HA 0.410 4.788 4.340 0.063 0.000 0.289 764 L C -1.434 175.493 176.870 0.096 0.000 1.044 764 L CA -2.244 52.696 54.840 0.167 0.000 0.807 764 L CB 1.275 43.534 42.059 0.333 0.000 1.192 764 L HN -0.050 nan 8.230 nan 0.000 0.425 765 P HA 0.176 nan 4.420 nan 0.000 0.269 765 P C -0.899 176.380 177.300 -0.035 0.000 1.215 765 P CA -0.050 63.056 63.100 0.010 0.000 0.780 765 P CB 1.014 32.723 31.700 0.015 0.000 0.898 766 L N 2.178 123.366 121.223 -0.057 0.000 2.370 766 L HA 0.627 5.005 4.340 0.063 0.000 0.266 766 L C 0.429 177.255 176.870 -0.074 0.000 1.002 766 L CA -1.061 53.713 54.840 -0.110 0.000 0.818 766 L CB 1.916 43.900 42.059 -0.124 0.000 1.325 766 L HN 0.392 nan 8.230 nan 0.000 0.418 767 I N -0.764 119.739 120.570 -0.112 0.000 3.145 767 I HA 0.759 4.967 4.170 0.063 0.000 0.313 767 I C -1.251 174.775 176.117 -0.151 0.000 1.122 767 I CA -0.989 60.237 61.300 -0.123 0.000 0.987 767 I CB 2.406 40.299 38.000 -0.179 0.000 1.236 767 I HN 0.174 nan 8.210 nan 0.000 0.453 768 V N 3.767 123.586 119.914 -0.159 0.000 2.495 768 V HA 0.468 4.626 4.120 0.063 0.000 0.298 768 V C -0.045 175.880 176.094 -0.282 0.000 1.031 768 V CA -0.550 61.625 62.300 -0.209 0.000 0.871 768 V CB 1.685 33.416 31.823 -0.155 0.000 0.988 768 V HN 0.511 nan 8.190 nan 0.000 0.432 769 L N 4.267 125.313 121.223 -0.295 0.000 2.334 769 L HA 0.891 5.269 4.340 0.063 0.000 0.277 769 L C 0.273 176.972 176.870 -0.284 0.000 1.075 769 L CA -0.098 54.581 54.840 -0.269 0.000 0.804 769 L CB 1.500 43.432 42.059 -0.212 0.000 1.174 769 L HN 0.802 nan 8.230 nan 0.000 0.438 770 A N 1.672 124.330 122.820 -0.270 0.000 2.593 770 A HA 0.818 5.176 4.320 0.063 0.000 0.290 770 A C -0.217 177.304 177.584 -0.105 0.000 1.126 770 A CA 0.027 51.912 52.037 -0.252 0.000 0.695 770 A CB 1.273 19.926 19.000 -0.578 0.000 1.290 770 A HN 0.728 nan 8.150 nan 0.000 0.414 771 G N -0.217 108.552 108.800 -0.051 0.000 2.975 771 G HA2 0.487 4.485 3.960 0.063 0.000 0.159 771 G HA3 0.487 4.485 3.960 0.063 0.000 0.159 771 G C -0.146 174.744 174.900 -0.016 0.000 1.525 771 G CA -0.575 44.516 45.100 -0.016 0.000 1.075 771 G HN 0.779 nan 8.290 nan 0.000 0.574 772 K N 0.419 120.818 120.400 -0.002 0.000 2.126 772 K HA 0.324 4.682 4.320 0.063 0.000 0.257 772 K C -0.316 176.289 176.600 0.009 0.000 1.007 772 K CA -0.091 56.196 56.287 0.001 0.000 0.928 772 K CB 0.984 33.491 32.500 0.012 0.000 1.013 772 K HN 0.590 nan 8.250 nan 0.000 0.473 773 E N 0.278 120.483 120.200 0.008 0.000 2.360 773 E HA -0.288 4.100 4.350 0.063 0.000 0.238 773 E C -1.114 175.487 176.600 0.002 0.000 1.186 773 E CA 0.405 56.813 56.400 0.014 0.000 0.719 773 E CB -1.434 28.270 29.700 0.007 0.000 1.236 773 E HN 0.438 nan 8.360 nan 0.000 0.386 774 Y N 0.632 120.845 120.300 -0.145 0.000 2.465 774 Y HA 0.269 4.857 4.550 0.063 0.000 0.331 774 Y C 1.394 177.271 175.900 -0.040 0.000 1.102 774 Y CA 1.427 59.440 58.100 -0.146 0.000 1.358 774 Y CB 0.897 39.194 38.460 -0.272 0.000 1.213 774 Y HN 0.262 nan 8.280 nan 0.000 0.525 775 G N 3.661 112.032 108.800 -0.716 0.000 2.142 775 G HA2 -0.158 3.840 3.960 0.063 0.000 0.225 775 G HA3 -0.158 3.840 3.960 0.063 0.000 0.225 775 G C 0.061 174.791 174.900 -0.284 0.000 1.015 775 G CA -0.196 44.487 45.100 -0.694 0.000 0.716 775 G HN 1.164 nan 8.290 nan 0.000 0.508 776 A N -0.688 121.997 122.820 -0.225 0.000 2.425 776 A HA 0.861 5.219 4.320 0.063 0.000 0.242 776 A C 1.741 179.257 177.584 -0.114 0.000 1.077 776 A CA 2.067 54.031 52.037 -0.120 0.000 0.781 776 A CB 0.430 19.356 19.000 -0.123 0.000 1.020 776 A HN 2.556 nan 8.150 nan 0.000 0.494 777 G N -0.138 108.643 108.800 -0.032 0.000 2.715 777 G HA2 0.050 4.048 3.960 0.063 0.000 0.221 777 G HA3 0.050 4.048 3.960 0.063 0.000 0.221 777 G C 0.655 175.566 174.900 0.018 0.000 1.204 777 G CA 0.506 45.619 45.100 0.022 0.000 1.063 777 G HN 2.075 nan 8.290 nan 0.000 0.586 778 S N 0.364 116.094 115.700 0.050 0.000 2.573 778 S HA 0.417 4.924 4.470 0.063 0.000 0.277 778 S C 1.932 176.567 174.600 0.057 0.000 1.346 778 S CA 1.094 59.339 58.200 0.074 0.000 1.034 778 S CB 0.872 64.145 63.200 0.122 0.000 0.879 778 S HN 2.068 nan 8.310 nan 0.000 0.528 779 S N 3.278 119.023 115.700 0.076 0.000 2.527 779 S HA -0.001 4.507 4.470 0.063 0.000 0.222 779 S C 0.702 175.353 174.600 0.086 0.000 0.985 779 S CA -0.212 58.037 58.200 0.081 0.000 0.921 779 S CB -0.482 62.771 63.200 0.089 0.000 0.772 779 S HN 0.889 nan 8.310 nan 0.000 0.529 780 R N 2.234 122.791 120.500 0.094 0.000 2.730 780 R HA -0.074 4.304 4.340 0.063 0.000 0.327 780 R C 0.106 176.456 176.300 0.084 0.000 0.825 780 R CA 0.843 57.005 56.100 0.103 0.000 1.130 780 R CB -0.365 30.011 30.300 0.126 0.000 0.883 780 R HN 0.362 nan 8.270 nan 0.000 0.407 781 D N 3.458 123.870 120.400 0.021 0.000 2.350 781 D HA -0.183 4.495 4.640 0.063 0.000 0.216 781 D C 0.878 177.090 176.300 -0.147 0.000 0.968 781 D CA 0.602 54.554 54.000 -0.081 0.000 0.894 781 D CB -0.262 40.428 40.800 -0.183 0.000 0.909 781 D HN 0.744 nan 8.370 nan 0.000 0.520 782 W N 0.997 122.284 121.300 -0.022 0.000 2.468 782 W HA 0.115 4.813 4.660 0.063 0.000 0.262 782 W C 2.344 178.839 176.519 -0.040 0.000 1.241 782 W CA 1.060 58.387 57.345 -0.029 0.000 1.232 782 W CB 0.087 29.514 29.460 -0.055 0.000 1.124 782 W HN 0.098 nan 8.180 nan 0.000 0.597 783 A N -0.569 122.346 122.820 0.158 0.000 2.167 783 A HA 0.216 4.574 4.320 0.063 0.000 0.214 783 A C 1.868 179.590 177.584 0.231 0.000 1.151 783 A CA 1.508 53.601 52.037 0.093 0.000 0.735 783 A CB -0.560 18.430 19.000 -0.017 0.000 0.802 783 A HN 0.164 nan 8.150 nan 0.000 0.467 784 A N -0.083 122.826 122.820 0.147 0.000 1.944 784 A HA 0.179 4.537 4.320 0.063 0.000 0.207 784 A C 1.916 179.506 177.584 0.011 0.000 1.265 784 A CA 0.889 52.973 52.037 0.078 0.000 0.712 784 A CB -0.132 18.832 19.000 -0.060 0.000 0.915 784 A HN 0.365 nan 8.150 nan 0.000 0.470 785 K N 0.258 120.531 120.400 -0.211 0.000 2.103 785 K HA -0.085 4.273 4.320 0.063 0.000 0.207 785 K C 2.015 178.715 176.600 0.167 0.000 1.048 785 K CA 1.163 57.249 56.287 -0.336 0.000 0.930 785 K CB -0.388 31.422 32.500 -1.149 0.000 0.716 785 K HN 0.429 nan 8.250 nan 0.000 0.444 786 G N 2.266 111.295 108.800 0.381 0.000 2.552 786 G HA2 -0.211 3.787 3.960 0.063 0.000 0.216 786 G HA3 -0.211 3.787 3.960 0.063 0.000 0.216 786 G C -1.003 174.111 174.900 0.356 0.000 1.240 786 G CA 0.779 46.182 45.100 0.505 0.000 0.796 786 G HN 0.201 nan 8.290 nan 0.000 0.568 787 P HA -0.161 nan 4.420 nan 0.000 0.216 787 P C 1.671 179.146 177.300 0.292 0.000 1.153 787 P CA 1.006 64.305 63.100 0.331 0.000 0.858 787 P CB -0.185 31.731 31.700 0.360 0.000 0.789 788 F N 0.218 120.256 119.950 0.146 0.000 2.120 788 F HA -0.200 4.365 4.527 0.064 0.000 0.300 788 F C 1.779 177.669 175.800 0.149 0.000 1.095 788 F CA 1.577 59.646 58.000 0.115 0.000 1.249 788 F CB -0.794 38.233 39.000 0.044 0.000 0.995 788 F HN -0.227 nan 8.300 nan 0.000 0.480 789 L N 0.030 121.425 121.223 0.287 0.000 2.395 789 L HA -0.099 4.279 4.340 0.063 0.000 0.218 789 L C 1.925 178.853 176.870 0.096 0.000 1.130 789 L CA 0.329 55.274 54.840 0.175 0.000 0.826 789 L CB -0.455 41.830 42.059 0.377 0.000 0.941 789 L HN 0.253 nan 8.230 nan 0.000 0.451 790 L N -0.157 121.149 121.223 0.138 0.000 2.599 790 L HA 0.122 4.500 4.340 0.063 0.000 0.230 790 L C 1.361 178.250 176.870 0.031 0.000 1.141 790 L CA 0.624 55.529 54.840 0.109 0.000 0.877 790 L CB -0.474 41.709 42.059 0.208 0.000 1.009 790 L HN 0.504 nan 8.230 nan 0.000 0.447 791 G N 0.997 109.773 108.800 -0.040 0.000 2.132 791 G HA2 -0.268 3.730 3.960 0.063 0.000 0.234 791 G HA3 -0.268 3.730 3.960 0.063 0.000 0.234 791 G C 0.142 175.021 174.900 -0.036 0.000 0.989 791 G CA -0.355 44.699 45.100 -0.077 0.000 0.676 791 G HN 0.289 nan 8.290 nan 0.000 0.522 792 I N 0.626 121.208 120.570 0.020 0.000 2.396 792 I HA 0.235 4.443 4.170 0.063 0.000 0.289 792 I C 1.337 177.494 176.117 0.067 0.000 1.056 792 I CA -0.475 60.860 61.300 0.059 0.000 1.365 792 I CB 1.083 39.167 38.000 0.140 0.000 1.407 792 I HN -0.128 nan 8.210 nan 0.000 0.509 793 K N 4.982 125.412 120.400 0.050 0.000 2.334 793 K HA 0.422 4.780 4.320 0.063 0.000 0.195 793 K C 0.182 176.837 176.600 0.092 0.000 1.045 793 K CA 0.242 56.579 56.287 0.084 0.000 1.004 793 K CB 0.586 33.124 32.500 0.064 0.000 0.837 793 K HN 0.672 nan 8.250 nan 0.000 0.510 794 A N 0.136 122.981 122.820 0.041 0.000 2.612 794 A HA 0.632 4.990 4.320 0.063 0.000 0.293 794 A C -1.341 176.229 177.584 -0.024 0.000 1.075 794 A CA -0.612 51.425 52.037 0.001 0.000 0.680 794 A CB 1.558 20.537 19.000 -0.035 0.000 1.279 794 A HN -0.146 nan 8.150 nan 0.000 0.411 795 V N 0.884 120.777 119.914 -0.035 0.000 2.680 795 V HA 0.659 4.817 4.120 0.063 0.000 0.309 795 V C -1.104 174.921 176.094 -0.116 0.000 1.052 795 V CA -0.521 61.729 62.300 -0.083 0.000 0.908 795 V CB 1.640 33.450 31.823 -0.022 0.000 1.001 795 V HN 0.895 nan 8.190 nan 0.000 0.431 796 L N 4.600 125.682 121.223 -0.236 0.000 2.342 796 L HA 0.928 5.306 4.340 0.063 0.000 0.276 796 L C -0.163 176.443 176.870 -0.440 0.000 0.997 796 L CA -0.015 54.628 54.840 -0.328 0.000 0.838 796 L CB 0.871 42.728 42.059 -0.337 0.000 1.224 796 L HN 0.805 nan 8.230 nan 0.000 0.416 797 A N 3.576 126.138 122.820 -0.429 0.000 2.479 797 A HA 0.635 4.993 4.320 0.063 0.000 0.296 797 A C 0.449 177.955 177.584 -0.131 0.000 1.121 797 A CA -0.454 51.359 52.037 -0.373 0.000 0.743 797 A CB 1.117 19.651 19.000 -0.778 0.000 1.323 797 A HN 0.763 nan 8.150 nan 0.000 0.415 798 E N 0.085 120.336 120.200 0.085 0.000 2.107 798 E HA 0.036 4.424 4.350 0.063 0.000 0.191 798 E C 0.287 176.923 176.600 0.061 0.000 0.982 798 E CA 1.364 57.875 56.400 0.184 0.000 0.809 798 E CB 0.048 29.813 29.700 0.109 0.000 0.756 798 E HN 0.731 nan 8.360 nan 0.000 0.459 799 S N -1.151 114.515 115.700 -0.057 0.000 2.552 799 S HA 0.468 4.976 4.470 0.063 0.000 0.272 799 S C -1.371 173.159 174.600 -0.118 0.000 1.150 799 S CA -1.011 57.193 58.200 0.007 0.000 0.849 799 S CB 0.757 63.987 63.200 0.050 0.000 1.113 799 S HN 0.084 nan 8.310 nan 0.000 0.458 800 Y N 0.481 120.834 120.300 0.089 0.000 2.485 800 Y HA 0.554 5.142 4.550 0.063 0.000 0.345 800 Y C 0.516 176.469 175.900 0.089 0.000 0.998 800 Y CA -0.879 57.299 58.100 0.129 0.000 1.059 800 Y CB 1.365 39.888 38.460 0.105 0.000 1.234 800 Y HN 0.614 nan 8.280 nan 0.000 0.461 801 E N 1.813 122.158 120.200 0.242 0.000 2.349 801 E HA 0.144 4.532 4.350 0.063 0.000 0.262 801 E C 0.771 177.471 176.600 0.166 0.000 1.088 801 E CA -0.387 56.105 56.400 0.152 0.000 0.899 801 E CB 1.183 30.934 29.700 0.084 0.000 1.044 801 E HN 0.619 nan 8.360 nan 0.000 0.420 802 R N 1.938 122.496 120.500 0.096 0.000 2.070 802 R HA -0.115 4.263 4.340 0.063 0.000 0.233 802 R C 2.045 178.387 176.300 0.071 0.000 1.137 802 R CA 1.339 57.475 56.100 0.060 0.000 0.945 802 R CB -0.430 29.879 30.300 0.014 0.000 0.845 802 R HN 0.565 nan 8.270 nan 0.000 0.430 803 I N -0.383 120.239 120.570 0.087 0.000 2.286 803 I HA -0.260 3.948 4.170 0.063 0.000 0.248 803 I C 2.505 178.692 176.117 0.117 0.000 1.115 803 I CA 1.398 62.758 61.300 0.100 0.000 1.392 803 I CB -0.557 37.505 38.000 0.104 0.000 1.065 803 I HN 0.280 nan 8.210 nan 0.000 0.418 804 H N 1.443 120.542 119.070 0.050 0.000 2.321 804 H HA -0.142 4.452 4.556 0.063 0.000 0.300 804 H C 2.393 177.770 175.328 0.080 0.000 1.087 804 H CA 1.790 57.875 56.048 0.061 0.000 1.319 804 H CB -0.118 29.680 29.762 0.061 0.000 1.379 804 H HN 0.044 nan 8.280 nan 0.000 0.501 805 R N -0.168 120.333 120.500 0.002 0.000 2.096 805 R HA -0.154 4.223 4.340 0.063 0.000 0.240 805 R C 2.298 178.497 176.300 -0.169 0.000 1.139 805 R CA 1.847 57.839 56.100 -0.180 0.000 0.952 805 R CB -0.303 29.896 30.300 -0.168 0.000 0.854 805 R HN 0.325 nan 8.270 nan 0.000 0.436 806 S N 0.381 116.042 115.700 -0.065 0.000 2.382 806 S HA -0.093 4.415 4.470 0.063 0.000 0.228 806 S C 1.458 176.034 174.600 -0.040 0.000 1.027 806 S CA 1.559 59.750 58.200 -0.015 0.000 0.991 806 S CB -0.315 62.912 63.200 0.044 0.000 0.823 806 S HN 0.520 nan 8.310 nan 0.000 0.469 807 N N 1.069 119.717 118.700 -0.086 0.000 2.171 807 N HA 0.062 4.840 4.740 0.063 0.000 0.184 807 N C 1.633 177.052 175.510 -0.151 0.000 1.021 807 N CA 0.783 53.764 53.050 -0.115 0.000 0.854 807 N CB -0.239 38.198 38.487 -0.084 0.000 0.994 807 N HN 0.241 nan 8.380 nan 0.000 0.426 808 L N 0.627 121.715 121.223 -0.225 0.000 1.990 808 L HA -0.204 4.174 4.340 0.063 0.000 0.213 808 L C 2.235 179.091 176.870 -0.023 0.000 1.072 808 L CA 1.088 55.838 54.840 -0.151 0.000 0.755 808 L CB -0.664 41.262 42.059 -0.222 0.000 0.889 808 L HN 0.078 nan 8.230 nan 0.000 0.432 809 V N 0.264 120.181 119.914 0.005 0.000 2.332 809 V HA -0.249 3.909 4.120 0.063 0.000 0.248 809 V C 2.560 178.754 176.094 0.166 0.000 1.055 809 V CA 2.061 64.490 62.300 0.214 0.000 1.038 809 V CB -1.249 30.729 31.823 0.259 0.000 0.651 809 V HN 0.617 nan 8.190 nan 0.000 0.450 810 G N -1.153 107.662 108.800 0.025 0.000 2.443 810 G HA2 -0.180 3.818 3.960 0.063 0.000 0.219 810 G HA3 -0.180 3.818 3.960 0.063 0.000 0.219 810 G C 1.317 176.122 174.900 -0.158 0.000 1.131 810 G CA 0.525 45.572 45.100 -0.088 0.000 0.775 810 G HN 0.380 nan 8.290 nan 0.000 0.547 811 M N 0.100 119.605 119.600 -0.158 0.000 2.428 811 M HA 0.257 4.775 4.480 0.063 0.000 0.239 811 M C 1.846 178.097 176.300 -0.083 0.000 1.121 811 M CA 0.330 55.452 55.300 -0.297 0.000 1.019 811 M CB -0.059 32.329 32.600 -0.353 0.000 1.485 811 M HN 0.416 nan 8.290 nan 0.000 0.484 812 G N 0.497 109.367 108.800 0.118 0.000 2.175 812 G HA2 -0.187 3.811 3.960 0.063 0.000 0.244 812 G HA3 -0.187 3.811 3.960 0.063 0.000 0.244 812 G C 0.142 175.302 174.900 0.434 0.000 0.982 812 G CA 0.075 45.355 45.100 0.300 0.000 0.641 812 G HN 0.321 nan 8.290 nan 0.000 0.527 813 V N 1.782 121.884 119.914 0.314 0.000 2.614 813 V HA 0.437 4.595 4.120 0.063 0.000 0.291 813 V C 1.113 177.309 176.094 0.169 0.000 1.049 813 V CA -0.260 62.192 62.300 0.253 0.000 1.038 813 V CB 1.427 33.361 31.823 0.185 0.000 0.980 813 V HN 0.311 nan 8.190 nan 0.000 0.481 814 I N 7.509 128.129 120.570 0.083 0.000 2.337 814 I HA 0.271 4.479 4.170 0.063 0.000 0.291 814 I C -2.227 173.710 176.117 -0.300 0.000 1.046 814 I CA -1.619 59.567 61.300 -0.189 0.000 1.324 814 I CB 1.196 39.090 38.000 -0.176 0.000 1.409 814 I HN 0.460 nan 8.210 nan 0.000 0.494 815 P HA 0.339 nan 4.420 nan 0.000 0.288 815 P C -0.759 176.278 177.300 -0.438 0.000 1.363 815 P CA -0.268 62.529 63.100 -0.505 0.000 0.837 815 P CB 0.515 31.667 31.700 -0.914 0.000 0.981 816 L N 2.483 123.592 121.223 -0.190 0.000 2.357 816 L HA 0.514 4.892 4.340 0.063 0.000 0.273 816 L C 0.835 177.685 176.870 -0.034 0.000 1.080 816 L CA -0.414 54.331 54.840 -0.158 0.000 0.803 816 L CB 1.176 43.138 42.059 -0.161 0.000 1.174 816 L HN 0.310 nan 8.230 nan 0.000 0.443 817 E N 0.825 120.993 120.200 -0.054 0.000 2.256 817 E HA 0.332 4.719 4.350 0.063 0.000 0.268 817 E C -1.470 175.117 176.600 -0.022 0.000 0.877 817 E CA -0.776 55.630 56.400 0.011 0.000 0.757 817 E CB 1.451 31.215 29.700 0.107 0.000 1.183 817 E HN 0.289 nan 8.360 nan 0.000 0.418 818 Y N 2.028 122.365 120.300 0.062 0.000 2.550 818 Y HA 0.027 4.615 4.550 0.063 0.000 0.343 818 Y C 0.709 176.636 175.900 0.044 0.000 1.245 818 Y CA 0.167 58.300 58.100 0.056 0.000 1.462 818 Y CB 0.360 38.819 38.460 -0.001 0.000 1.340 818 Y HN 0.368 nan 8.280 nan 0.000 0.604 819 L N 4.433 125.794 121.223 0.229 0.000 2.452 819 L HA 0.216 4.594 4.340 0.063 0.000 0.267 819 L C -2.034 174.894 176.870 0.096 0.000 1.188 819 L CA -2.014 52.903 54.840 0.128 0.000 0.821 819 L CB -0.024 42.099 42.059 0.107 0.000 1.102 819 L HN 0.382 nan 8.230 nan 0.000 0.470 820 P HA -0.052 nan 4.420 nan 0.000 0.263 820 P C 0.686 177.995 177.300 0.015 0.000 1.175 820 P CA 0.989 64.110 63.100 0.035 0.000 0.761 820 P CB 0.440 32.154 31.700 0.024 0.000 0.794 821 G N 1.110 109.907 108.800 -0.006 0.000 2.168 821 G HA2 -0.241 3.757 3.960 0.063 0.000 0.263 821 G HA3 -0.241 3.757 3.960 0.063 0.000 0.263 821 G C -0.075 174.788 174.900 -0.062 0.000 0.977 821 G CA -0.085 44.996 45.100 -0.031 0.000 0.659 821 G HN 0.589 nan 8.290 nan 0.000 0.533 822 E N 0.574 120.732 120.200 -0.071 0.000 2.256 822 E HA 0.601 4.989 4.350 0.063 0.000 0.267 822 E C 0.046 176.413 176.600 -0.389 0.000 0.892 822 E CA -0.576 55.731 56.400 -0.156 0.000 0.775 822 E CB 1.846 31.523 29.700 -0.039 0.000 1.207 822 E HN 0.588 nan 8.360 nan 0.000 0.420 823 N N -0.609 117.662 118.700 -0.714 0.000 3.356 823 N HA 0.143 4.921 4.740 0.063 0.000 0.246 823 N C 0.266 175.207 175.510 -0.950 0.000 1.480 823 N CA -0.360 51.952 53.050 -1.231 0.000 0.877 823 N CB 0.726 38.856 38.487 -0.594 0.000 1.431 823 N HN 0.364 nan 8.380 nan 0.000 0.500 824 A N 0.392 122.782 122.820 -0.717 0.000 1.883 824 A HA -0.183 4.175 4.320 0.063 0.000 0.217 824 A C 1.416 178.856 177.584 -0.239 0.000 1.186 824 A CA 2.309 54.149 52.037 -0.327 0.000 0.624 824 A CB -0.805 18.110 19.000 -0.141 0.000 0.822 824 A HN 0.711 nan 8.150 nan 0.000 0.444 825 D N 0.111 120.382 120.400 -0.214 0.000 2.097 825 D HA -0.057 4.621 4.640 0.063 0.000 0.195 825 D C 2.225 178.433 176.300 -0.155 0.000 0.989 825 D CA 1.626 55.537 54.000 -0.150 0.000 0.827 825 D CB -0.587 40.140 40.800 -0.122 0.000 0.966 825 D HN 0.422 nan 8.370 nan 0.000 0.456 826 A N 0.423 123.125 122.820 -0.196 0.000 1.972 826 A HA -0.099 4.259 4.320 0.063 0.000 0.219 826 A C 2.227 179.708 177.584 -0.172 0.000 1.169 826 A CA 0.931 52.865 52.037 -0.171 0.000 0.635 826 A CB -0.584 18.304 19.000 -0.186 0.000 0.810 826 A HN 0.239 nan 8.150 nan 0.000 0.446 827 L N -1.476 119.606 121.223 -0.235 0.000 2.567 827 L HA 0.218 4.596 4.340 0.063 0.000 0.225 827 L C 1.575 178.352 176.870 -0.156 0.000 1.119 827 L CA 0.431 55.131 54.840 -0.232 0.000 0.871 827 L CB -0.119 41.682 42.059 -0.430 0.000 1.036 827 L HN 0.547 nan 8.230 nan 0.000 0.459 828 G N 1.181 109.906 108.800 -0.125 0.000 2.198 828 G HA2 -0.280 3.718 3.960 0.063 0.000 0.260 828 G HA3 -0.280 3.718 3.960 0.063 0.000 0.260 828 G C 0.188 175.062 174.900 -0.044 0.000 1.025 828 G CA -0.121 44.935 45.100 -0.072 0.000 0.769 828 G HN 0.253 nan 8.290 nan 0.000 0.507 829 L N 0.459 121.651 121.223 -0.051 0.000 2.410 829 L HA 0.387 4.765 4.340 0.063 0.000 0.273 829 L C 1.961 178.869 176.870 0.063 0.000 1.152 829 L CA 0.259 55.121 54.840 0.037 0.000 0.855 829 L CB 0.816 42.926 42.059 0.086 0.000 1.129 829 L HN 0.377 nan 8.230 nan 0.000 0.463 830 T N -2.400 112.226 114.554 0.120 0.000 3.040 830 T HA 0.176 4.564 4.350 0.063 0.000 0.252 830 T C 1.358 176.200 174.700 0.237 0.000 1.064 830 T CA 0.448 62.634 62.100 0.144 0.000 1.110 830 T CB 0.501 69.453 68.868 0.140 0.000 0.921 830 T HN 0.935 nan 8.240 nan 0.000 0.480 831 G N 1.265 110.253 108.800 0.313 0.000 2.195 831 G HA2 -0.279 3.719 3.960 0.063 0.000 0.246 831 G HA3 -0.279 3.719 3.960 0.063 0.000 0.246 831 G C 0.791 176.018 174.900 0.544 0.000 0.984 831 G CA 0.382 45.718 45.100 0.394 0.000 0.633 831 G HN 0.558 nan 8.290 nan 0.000 0.525 832 Q N 0.237 120.276 119.800 0.398 0.000 2.360 832 Q HA 0.212 4.590 4.340 0.063 0.000 0.202 832 Q C 0.620 176.744 176.000 0.207 0.000 0.915 832 Q CA 0.433 56.389 55.803 0.254 0.000 0.943 832 Q CB 0.282 29.110 28.738 0.149 0.000 1.064 832 Q HN 0.740 nan 8.270 nan 0.000 0.511 833 E N 0.593 120.933 120.200 0.232 0.000 2.351 833 E HA 0.257 4.645 4.350 0.063 0.000 0.255 833 E C -0.369 176.267 176.600 0.060 0.000 1.188 833 E CA -0.255 56.176 56.400 0.052 0.000 0.940 833 E CB 0.782 30.394 29.700 -0.147 0.000 1.094 833 E HN -0.034 nan 8.360 nan 0.000 0.474 834 R N 0.632 121.041 120.500 -0.153 0.000 2.445 834 R HA 0.356 4.734 4.340 0.063 0.000 0.308 834 R C -1.054 175.146 176.300 -0.167 0.000 0.961 834 R CA -0.660 55.343 56.100 -0.161 0.000 0.862 834 R CB 0.827 30.931 30.300 -0.326 0.000 1.144 834 R HN 0.458 nan 8.270 nan 0.000 0.447 835 Y N 0.710 120.936 120.300 -0.123 0.000 2.328 835 Y HA 0.246 4.834 4.550 0.063 0.000 0.337 835 Y C 0.277 176.126 175.900 -0.086 0.000 0.966 835 Y CA -0.456 57.600 58.100 -0.073 0.000 1.136 835 Y CB 2.241 40.678 38.460 -0.038 0.000 1.170 835 Y HN 0.399 nan 8.280 nan 0.000 0.470 836 T N 5.835 120.384 114.554 -0.008 0.000 2.756 836 T HA 0.542 4.930 4.350 0.063 0.000 0.290 836 T C -0.269 174.404 174.700 -0.045 0.000 0.985 836 T CA -0.418 61.666 62.100 -0.026 0.000 0.955 836 T CB 0.081 68.916 68.868 -0.054 0.000 0.930 836 T HN 0.347 nan 8.240 nan 0.000 0.451 837 I N 4.643 125.199 120.570 -0.023 0.000 2.330 837 I HA 0.338 4.546 4.170 0.063 0.000 0.289 837 I C -0.045 176.056 176.117 -0.027 0.000 1.001 837 I CA -0.708 60.565 61.300 -0.046 0.000 1.193 837 I CB 1.085 39.067 38.000 -0.030 0.000 1.345 837 I HN 0.394 nan 8.210 nan 0.000 0.461 838 I N 7.157 127.701 120.570 -0.045 0.000 2.363 838 I HA 0.197 4.405 4.170 0.063 0.000 0.292 838 I C 0.049 176.166 176.117 -0.001 0.000 1.075 838 I CA -0.147 61.140 61.300 -0.022 0.000 1.333 838 I CB 0.426 38.405 38.000 -0.036 0.000 1.415 838 I HN 0.328 nan 8.210 nan 0.000 0.502 839 I N 8.984 129.574 120.570 0.032 0.000 2.304 839 I HA 0.331 4.539 4.170 0.063 0.000 0.291 839 I C -1.984 174.165 176.117 0.053 0.000 1.018 839 I CA -2.134 59.204 61.300 0.063 0.000 1.260 839 I CB 0.741 38.823 38.000 0.137 0.000 1.390 839 I HN 0.206 nan 8.210 nan 0.000 0.475 840 P HA 0.277 nan 4.420 nan 0.000 0.276 840 P C 0.527 177.851 177.300 0.040 0.000 1.252 840 P CA -0.362 62.757 63.100 0.030 0.000 0.802 840 P CB 1.265 32.976 31.700 0.019 0.000 1.035 841 E N -0.339 119.877 120.200 0.027 0.000 2.150 841 E HA -0.054 4.334 4.350 0.063 0.000 0.193 841 E C 0.062 176.676 176.600 0.023 0.000 0.985 841 E CA 1.208 57.622 56.400 0.024 0.000 0.814 841 E CB -0.166 29.543 29.700 0.014 0.000 0.752 841 E HN 0.383 nan 8.360 nan 0.000 0.466 842 N N 0.427 119.140 118.700 0.020 0.000 2.407 842 N HA 0.273 5.051 4.740 0.063 0.000 0.277 842 N C -0.883 174.640 175.510 0.021 0.000 0.995 842 N CA -0.258 52.802 53.050 0.016 0.000 0.903 842 N CB 1.825 40.317 38.487 0.008 0.000 1.218 842 N HN -0.024 nan 8.380 nan 0.000 0.487 843 L N 1.503 122.740 121.223 0.023 0.000 2.334 843 L HA 0.540 4.918 4.340 0.063 0.000 0.273 843 L C -0.024 176.853 176.870 0.010 0.000 1.013 843 L CA -0.738 54.119 54.840 0.027 0.000 0.816 843 L CB 1.500 43.591 42.059 0.053 0.000 1.278 843 L HN 0.216 nan 8.230 nan 0.000 0.431 844 K N 2.219 122.626 120.400 0.011 0.000 2.426 844 K HA 0.515 4.873 4.320 0.063 0.000 0.251 844 K C -2.639 173.968 176.600 0.012 0.000 0.941 844 K CA -1.709 54.580 56.287 0.002 0.000 0.808 844 K CB 2.160 34.659 32.500 -0.002 0.000 1.265 844 K HN 0.115 nan 8.250 nan 0.000 0.432 845 P HA 0.045 nan 4.420 nan 0.000 0.268 845 P C -0.776 176.526 177.300 0.002 0.000 1.204 845 P CA 0.289 63.400 63.100 0.019 0.000 0.768 845 P CB 0.727 32.426 31.700 -0.002 0.000 0.842 846 Q N -1.090 118.707 119.800 -0.005 0.000 2.374 846 Q HA -0.202 4.176 4.340 0.063 0.000 0.218 846 Q C 0.355 176.338 176.000 -0.028 0.000 0.691 846 Q CA 0.890 56.674 55.803 -0.032 0.000 1.340 846 Q CB -2.244 26.477 28.738 -0.028 0.000 1.498 846 Q HN 0.697 nan 8.270 nan 0.000 0.739 847 M N 0.292 119.883 119.600 -0.015 0.000 2.252 847 M HA 0.248 4.766 4.480 0.063 0.000 0.333 847 M C -0.096 176.189 176.300 -0.026 0.000 1.111 847 M CA 0.579 55.870 55.300 -0.014 0.000 1.140 847 M CB 0.517 33.115 32.600 -0.003 0.000 1.538 847 M HN -0.063 nan 8.290 nan 0.000 0.448 848 K N 2.893 123.282 120.400 -0.019 0.000 2.249 848 K HA 0.520 4.878 4.320 0.063 0.000 0.280 848 K C -0.413 176.169 176.600 -0.029 0.000 1.033 848 K CA -0.766 55.508 56.287 -0.021 0.000 0.946 848 K CB 1.343 33.840 32.500 -0.006 0.000 1.005 848 K HN 0.657 nan 8.250 nan 0.000 0.469 849 V N -0.575 119.311 119.914 -0.047 0.000 3.046 849 V HA 0.400 4.558 4.120 0.063 0.000 0.316 849 V C -0.664 175.377 176.094 -0.089 0.000 1.104 849 V CA -1.176 61.089 62.300 -0.059 0.000 1.006 849 V CB 1.625 33.409 31.823 -0.066 0.000 1.058 849 V HN 0.877 nan 8.190 nan 0.000 0.440 850 Q N 1.487 121.227 119.800 -0.100 0.000 2.243 850 Q HA 0.729 5.107 4.340 0.063 0.000 0.252 850 Q C -1.393 174.469 176.000 -0.229 0.000 0.909 850 Q CA -0.681 55.030 55.803 -0.154 0.000 0.922 850 Q CB 1.941 30.614 28.738 -0.109 0.000 1.215 850 Q HN 0.660 nan 8.270 nan 0.000 0.427 851 V N 3.440 123.099 119.914 -0.425 0.000 2.435 851 V HA 0.414 4.572 4.120 0.063 0.000 0.290 851 V C -0.404 175.426 176.094 -0.440 0.000 1.030 851 V CA -0.700 61.294 62.300 -0.509 0.000 0.881 851 V CB 1.387 32.653 31.823 -0.929 0.000 0.983 851 V HN 0.781 nan 8.190 nan 0.000 0.445 852 K N 5.176 125.423 120.400 -0.254 0.000 2.270 852 K HA 0.699 5.057 4.320 0.063 0.000 0.255 852 K C -1.183 175.299 176.600 -0.195 0.000 0.936 852 K CA -0.603 55.574 56.287 -0.183 0.000 0.809 852 K CB 2.247 34.674 32.500 -0.121 0.000 1.131 852 K HN 0.484 nan 8.250 nan 0.000 0.427 853 L N 2.189 123.298 121.223 -0.189 0.000 2.352 853 L HA 0.199 4.577 4.340 0.063 0.000 0.269 853 L C 1.205 177.975 176.870 -0.167 0.000 1.034 853 L CA -0.671 54.013 54.840 -0.259 0.000 0.806 853 L CB 1.058 42.951 42.059 -0.276 0.000 1.244 853 L HN 0.797 nan 8.230 nan 0.000 0.447 854 D N -1.058 119.239 120.400 -0.171 0.000 2.350 854 D HA -0.170 4.508 4.640 0.063 0.000 0.216 854 D C 1.476 177.726 176.300 -0.084 0.000 0.968 854 D CA 1.261 55.193 54.000 -0.114 0.000 0.894 854 D CB -0.304 40.428 40.800 -0.114 0.000 0.909 854 D HN 0.718 nan 8.370 nan 0.000 0.520 855 T N -4.567 109.934 114.554 -0.089 0.000 3.088 855 T HA 0.360 4.748 4.350 0.063 0.000 0.259 855 T C 1.766 176.440 174.700 -0.044 0.000 1.122 855 T CA 0.829 62.894 62.100 -0.057 0.000 1.095 855 T CB 0.117 68.954 68.868 -0.052 0.000 0.930 855 T HN 0.384 nan 8.240 nan 0.000 0.508 856 G N 1.292 110.061 108.800 -0.050 0.000 2.284 856 G HA2 -0.245 3.753 3.960 0.063 0.000 0.216 856 G HA3 -0.245 3.753 3.960 0.063 0.000 0.216 856 G C 0.077 174.963 174.900 -0.024 0.000 1.009 856 G CA 0.023 45.102 45.100 -0.035 0.000 0.625 856 G HN 0.870 nan 8.290 nan 0.000 0.501 857 K N 2.059 122.450 120.400 -0.015 0.000 2.489 857 K HA 0.449 4.807 4.320 0.063 0.000 0.278 857 K C 0.476 177.100 176.600 0.041 0.000 1.000 857 K CA 1.034 57.336 56.287 0.025 0.000 1.012 857 K CB 0.243 32.768 32.500 0.042 0.000 0.903 857 K HN 0.551 nan 8.250 nan 0.000 0.485 858 T N 1.706 116.303 114.554 0.073 0.000 2.900 858 T HA 0.704 5.092 4.350 0.063 0.000 0.295 858 T C -0.585 174.222 174.700 0.179 0.000 1.044 858 T CA -0.932 61.194 62.100 0.043 0.000 0.995 858 T CB 0.690 69.542 68.868 -0.026 0.000 1.072 858 T HN 0.559 nan 8.240 nan 0.000 0.473 859 F N -0.672 119.281 119.950 0.006 0.000 2.754 859 F HA 0.787 5.352 4.527 0.063 0.000 0.320 859 F C -1.082 174.736 175.800 0.029 0.000 1.156 859 F CA -1.428 56.589 58.000 0.027 0.000 0.950 859 F CB 1.360 40.394 39.000 0.057 0.000 1.388 859 F HN 0.607 nan 8.300 nan 0.000 0.485 860 Q N 0.856 120.781 119.800 0.208 0.000 2.348 860 Q HA 0.820 5.198 4.340 0.063 0.000 0.271 860 Q C -1.337 174.771 176.000 0.179 0.000 1.067 860 Q CA -1.445 54.400 55.803 0.069 0.000 0.839 860 Q CB 2.494 31.272 28.738 0.067 0.000 1.354 860 Q HN 0.960 nan 8.270 nan 0.000 0.447 861 A N 0.989 123.837 122.820 0.046 0.000 2.498 861 A HA 0.628 4.986 4.320 0.063 0.000 0.298 861 A C -0.976 176.601 177.584 -0.011 0.000 1.075 861 A CA -0.601 51.467 52.037 0.051 0.000 0.714 861 A CB 1.441 20.439 19.000 -0.003 0.000 1.299 861 A HN 0.437 nan 8.150 nan 0.000 0.407 862 V N 2.199 122.105 119.914 -0.013 0.000 2.555 862 V HA 0.244 4.402 4.120 0.063 0.000 0.286 862 V C 0.493 176.519 176.094 -0.113 0.000 1.044 862 V CA 0.153 62.426 62.300 -0.045 0.000 1.026 862 V CB 1.001 32.810 31.823 -0.024 0.000 0.981 862 V HN 0.889 nan 8.190 nan 0.000 0.480 863 M N 6.020 125.537 119.600 -0.138 0.000 2.094 863 M HA 0.340 4.858 4.480 0.063 0.000 0.348 863 M C 0.474 176.574 176.300 -0.333 0.000 1.267 863 M CA -0.415 54.733 55.300 -0.254 0.000 1.125 863 M CB 0.089 32.581 32.600 -0.180 0.000 1.527 863 M HN 0.452 nan 8.290 nan 0.000 0.447 864 R N 4.562 124.763 120.500 -0.499 0.000 4.779 864 R HA 0.134 4.512 4.340 0.063 0.000 0.217 864 R C -1.356 174.621 176.300 -0.538 0.000 1.934 864 R CA 0.106 55.938 56.100 -0.446 0.000 1.623 864 R CB -1.158 28.868 30.300 -0.458 0.000 1.364 864 R HN 0.475 nan 8.270 nan 0.000 0.799 865 F N 0.152 119.991 119.950 -0.186 0.000 2.375 865 F HA 0.154 4.719 4.527 0.063 0.000 0.362 865 F C 1.232 176.960 175.800 -0.120 0.000 1.129 865 F CA -0.779 57.129 58.000 -0.154 0.000 1.154 865 F CB 1.012 39.913 39.000 -0.166 0.000 1.205 865 F HN -0.036 nan 8.300 nan 0.000 0.513 866 D N 0.358 120.783 120.400 0.043 0.000 2.354 866 D HA 0.018 4.696 4.640 0.063 0.000 0.209 866 D C 0.983 177.275 176.300 -0.014 0.000 1.015 866 D CA 0.795 54.789 54.000 -0.011 0.000 0.867 866 D CB 0.396 41.175 40.800 -0.035 0.000 0.933 866 D HN 0.523 nan 8.370 nan 0.000 0.520 867 T N -3.126 111.420 114.554 -0.013 0.000 2.883 867 T HA 0.261 4.649 4.350 0.063 0.000 0.296 867 T C 0.419 175.066 174.700 -0.087 0.000 1.117 867 T CA -0.775 61.294 62.100 -0.052 0.000 1.006 867 T CB 2.226 71.056 68.868 -0.064 0.000 1.191 867 T HN -0.411 nan 8.240 nan 0.000 0.508 868 D N 0.673 121.009 120.400 -0.108 0.000 2.123 868 D HA -0.090 4.588 4.640 0.063 0.000 0.196 868 D C 2.276 178.426 176.300 -0.250 0.000 0.992 868 D CA 0.984 54.898 54.000 -0.143 0.000 0.833 868 D CB -0.383 40.346 40.800 -0.118 0.000 0.954 868 D HN 0.385 nan 8.370 nan 0.000 0.455 869 V N 1.345 121.072 119.914 -0.312 0.000 2.332 869 V HA -0.234 3.924 4.120 0.063 0.000 0.248 869 V C 2.279 177.867 176.094 -0.844 0.000 1.055 869 V CA 1.663 63.618 62.300 -0.575 0.000 1.038 869 V CB -0.476 31.044 31.823 -0.505 0.000 0.651 869 V HN 0.241 nan 8.190 nan 0.000 0.450 870 E N -0.101 119.812 120.200 -0.478 0.000 2.118 870 E HA -0.223 4.164 4.350 0.063 0.000 0.195 870 E C 2.248 178.685 176.600 -0.271 0.000 0.992 870 E CA 1.257 57.505 56.400 -0.254 0.000 0.804 870 E CB -0.227 29.502 29.700 0.049 0.000 0.741 870 E HN 0.510 nan 8.360 nan 0.000 0.458 871 L N 0.868 121.918 121.223 -0.288 0.000 2.046 871 L HA -0.174 4.204 4.340 0.063 0.000 0.208 871 L C 2.982 179.691 176.870 -0.268 0.000 1.077 871 L CA 1.654 56.302 54.840 -0.319 0.000 0.747 871 L CB -0.684 41.264 42.059 -0.185 0.000 0.896 871 L HN 0.311 nan 8.230 nan 0.000 0.432 872 T N -3.033 111.319 114.554 -0.335 0.000 2.833 872 T HA -0.227 4.161 4.350 0.063 0.000 0.269 872 T C 1.787 176.359 174.700 -0.214 0.000 1.054 872 T CA 1.064 62.973 62.100 -0.318 0.000 1.135 872 T CB -0.456 68.138 68.868 -0.457 0.000 0.869 872 T HN 0.174 nan 8.240 nan 0.000 0.466 873 Y N 0.589 120.733 120.300 -0.260 0.000 2.200 873 Y HA 0.129 4.716 4.550 0.063 0.000 0.290 873 Y C 2.219 178.052 175.900 -0.112 0.000 1.137 873 Y CA -0.253 57.748 58.100 -0.165 0.000 1.163 873 Y CB -1.488 36.910 38.460 -0.103 0.000 0.988 873 Y HN 0.324 nan 8.280 nan 0.000 0.518 874 F N 0.493 120.305 119.950 -0.231 0.000 2.069 874 F HA -0.209 4.356 4.527 0.063 0.000 0.298 874 F C 2.008 177.702 175.800 -0.178 0.000 1.113 874 F CA 1.380 59.171 58.000 -0.348 0.000 1.214 874 F CB -0.775 37.613 39.000 -1.020 0.000 0.978 874 F HN -0.064 nan 8.300 nan 0.000 0.474 875 L N 0.269 121.257 121.223 -0.391 0.000 2.127 875 L HA -0.272 4.106 4.340 0.063 0.000 0.211 875 L C 1.900 178.638 176.870 -0.220 0.000 1.089 875 L CA 1.491 56.112 54.840 -0.365 0.000 0.757 875 L CB -0.880 41.076 42.059 -0.171 0.000 0.899 875 L HN 0.312 nan 8.230 nan 0.000 0.434 876 N N -0.207 118.436 118.700 -0.095 0.000 2.412 876 N HA -0.024 4.754 4.740 0.063 0.000 0.184 876 N C 1.369 176.884 175.510 0.008 0.000 1.101 876 N CA 0.909 53.972 53.050 0.022 0.000 0.881 876 N CB 0.662 39.257 38.487 0.179 0.000 0.969 876 N HN 0.462 nan 8.380 nan 0.000 0.459 877 G N 0.254 109.017 108.800 -0.062 0.000 2.159 877 G HA2 -0.170 3.827 3.960 0.063 0.000 0.256 877 G HA3 -0.170 3.827 3.960 0.063 0.000 0.256 877 G C 0.302 175.217 174.900 0.025 0.000 0.977 877 G CA 0.179 45.274 45.100 -0.008 0.000 0.652 877 G HN 0.736 nan 8.290 nan 0.000 0.531 878 G N -1.865 106.951 108.800 0.027 0.000 2.350 878 G HA2 0.434 4.432 3.960 0.063 0.000 0.305 878 G HA3 0.434 4.432 3.960 0.063 0.000 0.305 878 G C 0.485 175.354 174.900 -0.050 0.000 1.479 878 G CA -0.042 45.040 45.100 -0.030 0.000 0.949 878 G HN 0.971 nan 8.290 nan 0.000 0.651 879 I N 0.196 120.627 120.570 -0.232 0.000 2.252 879 I HA -0.026 4.182 4.170 0.063 0.000 0.245 879 I C 2.261 178.265 176.117 -0.189 0.000 1.102 879 I CA 1.076 62.068 61.300 -0.513 0.000 1.385 879 I CB -0.088 37.448 38.000 -0.773 0.000 1.064 879 I HN 0.491 nan 8.210 nan 0.000 0.414 880 L N 0.446 121.618 121.223 -0.084 0.000 2.240 880 L HA -0.121 4.257 4.340 0.063 0.000 0.211 880 L C 2.074 178.941 176.870 -0.006 0.000 1.106 880 L CA 0.609 55.451 54.840 0.002 0.000 0.793 880 L CB -0.942 41.210 42.059 0.155 0.000 0.927 880 L HN 0.292 nan 8.230 nan 0.000 0.446 881 N N 0.188 118.951 118.700 0.105 0.000 2.058 881 N HA -0.253 4.525 4.740 0.063 0.000 0.191 881 N C 1.701 177.244 175.510 0.055 0.000 1.037 881 N CA 1.365 54.471 53.050 0.094 0.000 0.848 881 N CB -0.684 37.892 38.487 0.148 0.000 1.021 881 N HN 0.287 nan 8.380 nan 0.000 0.422 882 Y N 1.256 121.549 120.300 -0.012 0.000 2.114 882 Y HA -0.209 4.378 4.550 0.063 0.000 0.282 882 Y C 2.090 177.990 175.900 -0.000 0.000 1.165 882 Y CA 1.661 59.775 58.100 0.024 0.000 1.148 882 Y CB -0.216 38.314 38.460 0.117 0.000 0.972 882 Y HN -0.052 nan 8.280 nan 0.000 0.504 883 M N -0.123 119.401 119.600 -0.126 0.000 2.159 883 M HA -0.178 4.340 4.480 0.063 0.000 0.263 883 M C 2.306 178.480 176.300 -0.210 0.000 1.063 883 M CA 1.468 56.645 55.300 -0.204 0.000 1.110 883 M CB -1.263 31.299 32.600 -0.063 0.000 1.374 883 M HN 0.398 nan 8.290 nan 0.000 0.411 884 I N -0.228 120.223 120.570 -0.198 0.000 2.179 884 I HA -0.324 3.884 4.170 0.063 0.000 0.242 884 I C 2.596 178.620 176.117 -0.155 0.000 1.088 884 I CA 1.277 62.460 61.300 -0.195 0.000 1.357 884 I CB -0.395 37.442 38.000 -0.272 0.000 1.051 884 I HN 0.301 nan 8.210 nan 0.000 0.409 885 R N 0.656 121.064 120.500 -0.153 0.000 2.091 885 R HA -0.218 4.160 4.340 0.063 0.000 0.238 885 R C 2.353 178.557 176.300 -0.160 0.000 1.136 885 R CA 1.394 57.418 56.100 -0.125 0.000 0.959 885 R CB -0.434 29.814 30.300 -0.087 0.000 0.856 885 R HN 0.351 nan 8.270 nan 0.000 0.437 886 K N 0.284 120.518 120.400 -0.277 0.000 2.097 886 K HA -0.092 4.266 4.320 0.063 0.000 0.205 886 K C 1.888 178.409 176.600 -0.131 0.000 1.050 886 K CA 1.090 57.230 56.287 -0.244 0.000 0.938 886 K CB 0.171 32.430 32.500 -0.402 0.000 0.718 886 K HN 0.052 nan 8.250 nan 0.000 0.442 887 M N 0.012 119.536 119.600 -0.127 0.000 2.447 887 M HA 0.035 4.553 4.480 0.063 0.000 0.264 887 M C 2.134 178.398 176.300 -0.059 0.000 1.095 887 M CA 0.771 56.023 55.300 -0.080 0.000 1.125 887 M CB -0.563 31.989 32.600 -0.081 0.000 1.389 887 M HN 0.173 nan 8.290 nan 0.000 0.459 888 A N 1.134 123.916 122.820 -0.064 0.000 2.014 888 A HA -0.071 4.287 4.320 0.063 0.000 0.218 888 A C 1.291 178.857 177.584 -0.031 0.000 1.163 888 A CA 0.963 52.975 52.037 -0.041 0.000 0.652 888 A CB -0.104 18.872 19.000 -0.040 0.000 0.808 888 A HN 0.530 nan 8.150 nan 0.000 0.449 889 K N 0.000 120.378 120.400 -0.037 0.000 2.780 889 K HA 0.000 4.358 4.320 0.063 0.000 0.191 889 K CA 0.000 56.272 56.287 -0.025 0.000 0.838 889 K CB 0.000 32.488 32.500 -0.020 0.000 1.064 889 K HN 0.000 nan 8.250 nan 0.000 0.543