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 1l1l_1_B DATA FIRST_RESID 4 DATA SEQUENCE EISLSAEFID RVKASVKPHW GKLGWVTYKR TYARWLPEKG RSENWDETVK DATA SEQUENCE RVVEGNINLD PRLQDSPSLE LKQSLTEEAE RLYKLIYGLG ATPSGRNLWI DATA SEQUENCE SGTDYQRRTG DSLNNcWFVA IRPQKYGDSK IVPSYLGKQE KAVSMPFSFL DATA SEQUENCE FDELMKGGGV GFSVARSNIS QIPRVDFAID LQLVVDETSE SYDASVKVGA DATA SEQUENCE VGKNELVQDA DSIYYRLPDT REGWVLANAL LIDLHFAQTN PDRKQKLILD DATA SEQUENCE LSDIRPYGAE IHGFGGTASG PMPLISMLLD VNEVLNNKAG GRLTAVDAAD DATA SEQUENCE ICNLIGKAVV AGNXXXXAEL ALGSNDDQDF ISMKQDQEKL MHHRWASNNS DATA SEQUENCE VAVDSAFSGY QPIAAGIREN GEPGIVNLDL SKNYGRIVDG YQAGIDGDVE DATA SEQUENCE GTNPCGEISL ANGEPcNLFE VFPLIAEEQG WDLQEVFALA ARYAKRVTFS DATA SEQUENCE PYDWEISREI IQKNRRIGIS MSGIQDWLLT RLGNRVVTGF KDDFDPETHE DATA SEQUENCE AIKVPVYDKR AIKMVDQLYK AVVKADQDYS KTLGCNESIK HTTVKPSGTV DATA SEQUENCE AKLAGASEGM HFHYGAYLIQ RIRFQDSDPL LPALKACGYR TEADIYTENT DATA SEQUENCE TCVEFPIKAV GADNPNFASA GTVSIAEQFA TQAFLQTYWS DNAVSCTITF DATA SEQUENCE QDSEGDQVES LLRQYRFITK STSLLPYFGG SLQQAPKEPI DKETYEKRSQ DATA SEQUENCE EITGNVEEVF SQLNSDVKDL E 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.582 176.600 -0.030 0.000 1.382 4 E CA 0.000 56.384 56.400 -0.026 0.000 0.976 4 E CB 0.000 29.687 29.700 -0.022 0.000 0.812 5 I N 2.474 123.025 120.570 -0.033 0.000 2.683 5 I HA 0.442 4.610 4.170 -0.003 0.000 0.286 5 I C 1.052 177.146 176.117 -0.038 0.000 1.175 5 I CA 0.424 61.700 61.300 -0.040 0.000 1.429 5 I CB 0.200 38.175 38.000 -0.042 0.000 1.371 5 I HN 0.832 nan 8.210 nan 0.000 0.569 6 S N 6.814 122.484 115.700 -0.049 0.000 2.618 6 S HA 0.777 5.246 4.470 -0.003 0.000 0.277 6 S C -0.947 173.608 174.600 -0.075 0.000 1.138 6 S CA -1.025 57.148 58.200 -0.045 0.000 0.844 6 S CB 2.077 65.258 63.200 -0.032 0.000 1.127 6 S HN 0.390 nan 8.310 nan 0.000 0.474 7 L N 2.625 123.808 121.223 -0.066 0.000 2.307 7 L HA 0.600 4.939 4.340 -0.003 0.000 0.284 7 L C 0.607 177.454 176.870 -0.039 0.000 1.023 7 L CA -0.691 54.090 54.840 -0.099 0.000 0.810 7 L CB 2.076 44.082 42.059 -0.089 0.000 1.231 7 L HN 0.968 nan 8.230 nan 0.000 0.423 8 S N 1.651 117.342 115.700 -0.015 0.000 2.617 8 S HA 0.399 4.868 4.470 -0.003 0.000 0.269 8 S C 1.088 175.700 174.600 0.019 0.000 1.292 8 S CA -0.095 58.111 58.200 0.009 0.000 1.010 8 S CB 1.722 64.932 63.200 0.016 0.000 0.944 8 S HN 0.704 nan 8.310 nan 0.000 0.536 9 A N 0.836 123.652 122.820 -0.006 0.000 1.933 9 A HA -0.086 4.233 4.320 -0.003 0.000 0.218 9 A C 2.122 179.681 177.584 -0.042 0.000 1.175 9 A CA 1.656 53.677 52.037 -0.028 0.000 0.628 9 A CB -1.146 17.843 19.000 -0.018 0.000 0.814 9 A HN 1.026 nan 8.150 nan 0.000 0.444 10 E N -1.206 118.986 120.200 -0.014 0.000 2.077 10 E HA -0.212 4.137 4.350 -0.003 0.000 0.193 10 E C 1.759 178.336 176.600 -0.040 0.000 0.989 10 E CA 1.427 57.815 56.400 -0.020 0.000 0.800 10 E CB -0.293 29.410 29.700 0.005 0.000 0.746 10 E HN 0.593 nan 8.360 nan 0.000 0.452 11 F N 1.450 121.324 119.950 -0.126 0.000 2.075 11 F HA -0.162 4.364 4.527 -0.002 0.000 0.297 11 F C 1.961 177.621 175.800 -0.232 0.000 1.113 11 F CA 1.600 59.503 58.000 -0.161 0.000 1.218 11 F CB -0.320 38.571 39.000 -0.182 0.000 0.984 11 F HN 0.009 nan 8.300 nan 0.000 0.472 12 I N 0.458 120.755 120.570 -0.455 0.000 2.208 12 I HA -0.320 3.848 4.170 -0.003 0.000 0.245 12 I C 1.996 177.842 176.117 -0.452 0.000 1.097 12 I CA 1.638 62.564 61.300 -0.623 0.000 1.363 12 I CB -0.683 37.088 38.000 -0.382 0.000 1.051 12 I HN 0.183 nan 8.210 nan 0.000 0.413 13 D N 0.593 120.830 120.400 -0.272 0.000 2.178 13 D HA -0.158 4.481 4.640 -0.003 0.000 0.201 13 D C 2.306 178.485 176.300 -0.202 0.000 0.980 13 D CA 1.129 55.022 54.000 -0.179 0.000 0.842 13 D CB -0.135 40.605 40.800 -0.100 0.000 0.948 13 D HN 0.269 nan 8.370 nan 0.000 0.472 14 R N 0.253 120.593 120.500 -0.268 0.000 2.075 14 R HA -0.060 4.278 4.340 -0.003 0.000 0.232 14 R C 2.454 178.592 176.300 -0.270 0.000 1.126 14 R CA 0.488 56.451 56.100 -0.229 0.000 0.963 14 R CB -0.305 29.864 30.300 -0.219 0.000 0.858 14 R HN 0.010 nan 8.270 nan 0.000 0.435 15 V N 1.257 120.887 119.914 -0.473 0.000 2.295 15 V HA -0.277 3.842 4.120 -0.003 0.000 0.246 15 V C 1.847 177.800 176.094 -0.235 0.000 1.049 15 V CA 1.826 63.891 62.300 -0.391 0.000 1.024 15 V CB -0.367 31.112 31.823 -0.573 0.000 0.648 15 V HN 0.321 nan 8.190 nan 0.000 0.447 16 K N 0.367 120.603 120.400 -0.273 0.000 2.280 16 K HA -0.066 4.253 4.320 -0.003 0.000 0.202 16 K C 1.931 178.561 176.600 0.050 0.000 1.047 16 K CA 1.327 57.577 56.287 -0.062 0.000 0.942 16 K CB -0.259 32.221 32.500 -0.034 0.000 0.739 16 K HN 0.509 nan 8.250 nan 0.000 0.457 17 A N 0.585 123.397 122.820 -0.013 0.000 2.220 17 A HA 0.015 4.334 4.320 -0.003 0.000 0.211 17 A C 1.789 179.388 177.584 0.024 0.000 1.176 17 A CA 0.692 52.736 52.037 0.013 0.000 0.834 17 A CB 0.149 19.140 19.000 -0.015 0.000 0.868 17 A HN 0.269 nan 8.150 nan 0.000 0.488 18 S N -1.910 113.803 115.700 0.021 0.000 2.559 18 S HA 0.372 4.841 4.470 -0.003 0.000 0.226 18 S C 0.047 174.695 174.600 0.079 0.000 1.030 18 S CA -0.002 58.217 58.200 0.032 0.000 0.956 18 S CB 0.186 63.383 63.200 -0.003 0.000 0.900 18 S HN 0.064 nan 8.310 nan 0.000 0.510 19 V N 2.226 122.227 119.914 0.145 0.000 2.540 19 V HA 0.532 4.650 4.120 -0.003 0.000 0.302 19 V C -0.616 175.647 176.094 0.282 0.000 1.035 19 V CA -0.792 61.647 62.300 0.232 0.000 0.873 19 V CB 1.900 33.935 31.823 0.354 0.000 0.992 19 V HN 0.347 nan 8.190 nan 0.000 0.428 20 K N 5.747 126.249 120.400 0.169 0.000 2.339 20 K HA 0.523 4.842 4.320 -0.003 0.000 0.264 20 K C -2.763 173.817 176.600 -0.032 0.000 0.986 20 K CA -1.906 54.442 56.287 0.102 0.000 0.866 20 K CB 1.861 34.410 32.500 0.081 0.000 1.103 20 K HN 0.360 nan 8.250 nan 0.000 0.441 21 P HA -0.097 nan 4.420 nan 0.000 0.265 21 P C -0.993 176.018 177.300 -0.482 0.000 1.193 21 P CA 0.067 62.816 63.100 -0.585 0.000 0.765 21 P CB 0.323 31.318 31.700 -1.175 0.000 0.823 22 H N 4.060 122.858 119.070 -0.452 0.000 2.998 22 H HA 0.083 4.638 4.556 -0.002 0.000 0.241 22 H C -0.485 174.675 175.328 -0.280 0.000 1.852 22 H CA -0.440 55.453 56.048 -0.259 0.000 1.419 22 H CB -0.534 29.126 29.762 -0.170 0.000 1.793 22 H HN 0.425 nan 8.280 nan 0.000 0.553 23 W N 2.109 123.307 121.300 -0.170 0.000 2.216 23 W HA 0.257 4.916 4.660 -0.003 0.000 0.326 23 W C 1.142 177.577 176.519 -0.140 0.000 1.319 23 W CA -0.333 56.922 57.345 -0.150 0.000 1.213 23 W CB 0.799 30.202 29.460 -0.095 0.000 1.171 23 W HN 0.497 nan 8.180 nan 0.000 0.557 24 G N 2.011 110.929 108.800 0.196 0.000 2.580 24 G HA2 0.073 4.032 3.960 -0.003 0.000 0.278 24 G HA3 0.073 4.032 3.960 -0.003 0.000 0.278 24 G C 0.756 175.728 174.900 0.120 0.000 1.212 24 G CA -0.637 44.525 45.100 0.102 0.000 0.939 24 G HN 0.439 nan 8.290 nan 0.000 0.513 25 K N -0.415 120.054 120.400 0.116 0.000 2.281 25 K HA -0.040 4.279 4.320 -0.003 0.000 0.203 25 K C 1.903 178.551 176.600 0.080 0.000 1.046 25 K CA 0.889 57.284 56.287 0.180 0.000 0.938 25 K CB -0.191 32.464 32.500 0.259 0.000 0.737 25 K HN 0.413 nan 8.250 nan 0.000 0.458 26 L N -1.317 119.851 121.223 -0.092 0.000 2.766 26 L HA 0.170 4.508 4.340 -0.003 0.000 0.242 26 L C 2.059 178.822 176.870 -0.178 0.000 1.136 26 L CA -0.001 54.628 54.840 -0.353 0.000 0.933 26 L CB 0.086 41.894 42.059 -0.418 0.000 1.241 26 L HN 0.060 nan 8.230 nan 0.000 0.522 27 G N 0.546 109.339 108.800 -0.012 0.000 2.511 27 G HA2 -0.324 3.634 3.960 -0.003 0.000 0.216 27 G HA3 -0.324 3.634 3.960 -0.003 0.000 0.216 27 G C 1.188 176.004 174.900 -0.140 0.000 1.218 27 G CA 0.761 45.922 45.100 0.102 0.000 0.788 27 G HN 0.467 nan 8.290 nan 0.000 0.560 28 W N 0.971 121.859 121.300 -0.688 0.000 2.335 28 W HA -0.119 4.540 4.660 -0.002 0.000 0.311 28 W C 2.645 178.881 176.519 -0.472 0.000 1.213 28 W CA 1.991 58.663 57.345 -1.122 0.000 1.274 28 W CB -0.468 28.283 29.460 -1.181 0.000 1.148 28 W HN 0.053 nan 8.180 nan 0.000 0.498 29 V N 0.344 120.098 119.914 -0.266 0.000 2.332 29 V HA -0.375 3.743 4.120 -0.003 0.000 0.248 29 V C 2.230 178.094 176.094 -0.384 0.000 1.055 29 V CA 2.529 64.639 62.300 -0.317 0.000 1.038 29 V CB -1.423 30.392 31.823 -0.013 0.000 0.651 29 V HN 0.231 nan 8.190 nan 0.000 0.450 30 T N -0.806 113.569 114.554 -0.298 0.000 2.746 30 T HA -0.225 4.124 4.350 -0.003 0.000 0.267 30 T C 1.723 176.251 174.700 -0.286 0.000 1.039 30 T CA 2.057 63.996 62.100 -0.268 0.000 1.142 30 T CB -0.371 68.399 68.868 -0.164 0.000 0.866 30 T HN 0.647 nan 8.240 nan 0.000 0.444 31 Y N 2.312 122.411 120.300 -0.334 0.000 2.114 31 Y HA -0.100 4.449 4.550 -0.003 0.000 0.284 31 Y C 2.256 177.963 175.900 -0.321 0.000 1.143 31 Y CA 1.302 59.286 58.100 -0.193 0.000 1.135 31 Y CB -0.298 38.017 38.460 -0.243 0.000 0.980 31 Y HN -0.142 nan 8.280 nan 0.000 0.499 32 K N 0.945 120.679 120.400 -1.110 0.000 2.063 32 K HA -0.193 4.126 4.320 -0.003 0.000 0.208 32 K C 2.113 178.322 176.600 -0.652 0.000 1.048 32 K CA 2.080 57.702 56.287 -1.108 0.000 0.928 32 K CB -0.411 31.299 32.500 -1.317 0.000 0.713 32 K HN 0.668 nan 8.250 nan 0.000 0.442 33 R N -0.560 119.631 120.500 -0.515 0.000 2.310 33 R HA 0.077 4.416 4.340 -0.003 0.000 0.202 33 R C 0.946 177.012 176.300 -0.390 0.000 0.933 33 R CA 0.921 56.812 56.100 -0.349 0.000 1.054 33 R CB 0.155 30.293 30.300 -0.269 0.000 0.985 33 R HN -0.072 nan 8.270 nan 0.000 0.489 34 T N -1.052 113.195 114.554 -0.511 0.000 3.174 34 T HA 0.138 4.487 4.350 -0.003 0.000 0.252 34 T C 0.784 175.161 174.700 -0.538 0.000 0.984 34 T CA 0.252 61.934 62.100 -0.697 0.000 1.113 34 T CB -0.056 68.133 68.868 -1.131 0.000 1.088 34 T HN 0.239 nan 8.240 nan 0.000 0.442 35 Y N 1.283 121.624 120.300 0.069 0.000 2.444 35 Y HA 0.644 5.192 4.550 -0.003 0.000 0.249 35 Y C 1.221 177.319 175.900 0.331 0.000 1.134 35 Y CA -0.785 57.549 58.100 0.389 0.000 1.261 35 Y CB 0.468 39.208 38.460 0.467 0.000 1.143 35 Y HN 0.117 nan 8.280 nan 0.000 0.523 36 A N 2.041 124.871 122.820 0.017 0.000 2.350 36 A HA 0.357 4.675 4.320 -0.003 0.000 0.293 36 A C 0.169 177.878 177.584 0.209 0.000 1.231 36 A CA -0.483 51.563 52.037 0.015 0.000 0.883 36 A CB -0.064 18.716 19.000 -0.366 0.000 1.133 36 A HN 0.333 nan 8.150 nan 0.000 0.533 37 R N 1.657 122.235 120.500 0.130 0.000 2.615 37 R HA 0.148 4.487 4.340 -0.003 0.000 0.270 37 R C -0.196 176.203 176.300 0.165 0.000 1.081 37 R CA -0.405 55.708 56.100 0.021 0.000 1.154 37 R CB 0.894 31.041 30.300 -0.254 0.000 1.063 37 R HN 0.863 nan 8.270 nan 0.000 0.519 38 W N 3.991 125.308 121.300 0.028 0.000 2.272 38 W HA 0.193 4.851 4.660 -0.003 0.000 0.318 38 W C -1.210 175.329 176.519 0.034 0.000 1.255 38 W CA -0.372 57.007 57.345 0.056 0.000 1.200 38 W CB 0.539 30.043 29.460 0.072 0.000 1.170 38 W HN 0.384 nan 8.180 nan 0.000 0.549 39 L N 9.413 130.286 121.223 -0.582 0.000 2.335 39 L HA 0.187 4.525 4.340 -0.003 0.000 0.268 39 L C -1.552 175.014 176.870 -0.507 0.000 1.037 39 L CA -1.855 52.760 54.840 -0.376 0.000 0.895 39 L CB 1.143 43.043 42.059 -0.265 0.000 1.266 39 L HN 0.214 nan 8.230 nan 0.000 0.439 40 P HA -0.204 nan 4.420 nan 0.000 0.215 40 P C 1.048 178.335 177.300 -0.021 0.000 1.157 40 P CA 1.226 64.347 63.100 0.035 0.000 0.874 40 P CB 0.296 32.100 31.700 0.174 0.000 0.790 41 E N -0.618 119.560 120.200 -0.038 0.000 2.463 41 E HA -0.124 4.224 4.350 -0.003 0.000 0.201 41 E C 1.290 177.857 176.600 -0.055 0.000 1.045 41 E CA 1.010 57.394 56.400 -0.027 0.000 0.872 41 E CB -0.268 29.422 29.700 -0.018 0.000 0.797 41 E HN 0.435 nan 8.360 nan 0.000 0.538 42 K N -1.238 119.089 120.400 -0.123 0.000 2.450 42 K HA 0.165 4.484 4.320 -0.003 0.000 0.206 42 K C 0.759 177.258 176.600 -0.168 0.000 1.148 42 K CA 0.453 56.664 56.287 -0.127 0.000 1.014 42 K CB 1.279 33.697 32.500 -0.136 0.000 0.966 42 K HN 0.097 nan 8.250 nan 0.000 0.566 43 G N 3.320 111.973 108.800 -0.245 0.000 2.246 43 G HA2 -0.318 3.641 3.960 -0.003 0.000 0.273 43 G HA3 -0.318 3.641 3.960 -0.003 0.000 0.273 43 G C -0.256 174.385 174.900 -0.431 0.000 1.055 43 G CA 1.060 46.040 45.100 -0.200 0.000 0.851 43 G HN 0.445 nan 8.290 nan 0.000 0.500 44 R N -2.480 117.468 120.500 -0.920 0.000 2.728 44 R HA 0.673 5.012 4.340 -0.003 0.000 0.274 44 R C 0.004 175.864 176.300 -0.733 0.000 1.032 44 R CA -0.310 55.366 56.100 -0.707 0.000 0.866 44 R CB 0.078 30.263 30.300 -0.191 0.000 1.263 44 R HN 0.784 nan 8.270 nan 0.000 0.475 45 S N -0.035 115.551 115.700 -0.189 0.000 2.617 45 S HA 0.218 4.687 4.470 -0.003 0.000 0.269 45 S C -0.037 174.612 174.600 0.082 0.000 1.292 45 S CA -0.864 57.363 58.200 0.045 0.000 1.010 45 S CB 0.966 64.314 63.200 0.246 0.000 0.944 45 S HN 0.605 nan 8.310 nan 0.000 0.536 46 E N 1.167 121.442 120.200 0.125 0.000 2.442 46 E HA 0.098 4.446 4.350 -0.003 0.000 0.260 46 E C -0.054 176.772 176.600 0.377 0.000 1.148 46 E CA 0.009 56.539 56.400 0.216 0.000 0.976 46 E CB 0.295 30.151 29.700 0.260 0.000 0.967 46 E HN 0.543 nan 8.360 nan 0.000 0.454 47 N N 0.560 119.516 118.700 0.427 0.000 2.459 47 N HA 0.038 4.776 4.740 -0.003 0.000 0.288 47 N C 0.271 176.167 175.510 0.643 0.000 1.186 47 N CA -0.521 52.875 53.050 0.577 0.000 0.917 47 N CB 0.638 39.392 38.487 0.446 0.000 1.219 47 N HN 0.665 nan 8.380 nan 0.000 0.525 48 W N 1.773 123.297 121.300 0.373 0.000 2.318 48 W HA -0.236 4.422 4.660 -0.002 0.000 0.313 48 W C 1.306 177.966 176.519 0.235 0.000 1.221 48 W CA 1.832 59.207 57.345 0.050 0.000 1.266 48 W CB 0.122 29.642 29.460 0.100 0.000 1.150 48 W HN 0.661 nan 8.180 nan 0.000 0.496 49 D N 0.123 120.738 120.400 0.359 0.000 2.182 49 D HA -0.275 4.364 4.640 -0.003 0.000 0.201 49 D C 1.400 177.795 176.300 0.158 0.000 0.986 49 D CA 1.794 55.943 54.000 0.249 0.000 0.847 49 D CB -0.886 40.092 40.800 0.296 0.000 0.942 49 D HN 0.399 nan 8.370 nan 0.000 0.467 50 E N 0.154 120.460 120.200 0.177 0.000 2.072 50 E HA -0.076 4.273 4.350 -0.003 0.000 0.190 50 E C 2.247 178.910 176.600 0.106 0.000 0.982 50 E CA 1.208 57.695 56.400 0.144 0.000 0.803 50 E CB -0.098 29.695 29.700 0.155 0.000 0.755 50 E HN 0.270 nan 8.360 nan 0.000 0.453 51 T N 1.108 115.735 114.554 0.122 0.000 2.708 51 T HA -0.129 4.219 4.350 -0.003 0.000 0.266 51 T C 2.144 176.784 174.700 -0.100 0.000 1.037 51 T CA 1.169 63.328 62.100 0.098 0.000 1.146 51 T CB -0.199 68.869 68.868 0.334 0.000 0.865 51 T HN -0.027 nan 8.240 nan 0.000 0.435 52 V N 1.774 121.452 119.914 -0.395 0.000 2.407 52 V HA -0.178 3.941 4.120 -0.003 0.000 0.248 52 V C 2.485 178.525 176.094 -0.089 0.000 1.055 52 V CA 1.656 63.655 62.300 -0.502 0.000 1.049 52 V CB -0.599 30.597 31.823 -1.045 0.000 0.662 52 V HN 0.465 nan 8.190 nan 0.000 0.455 53 K N 1.076 121.577 120.400 0.169 0.000 2.032 53 K HA -0.255 4.064 4.320 -0.003 0.000 0.209 53 K C 2.420 179.103 176.600 0.139 0.000 1.048 53 K CA 2.078 58.542 56.287 0.294 0.000 0.927 53 K CB -0.147 32.488 32.500 0.225 0.000 0.712 53 K HN 0.625 nan 8.250 nan 0.000 0.441 54 R N -0.087 120.461 120.500 0.081 0.000 2.115 54 R HA -0.020 4.318 4.340 -0.003 0.000 0.226 54 R C 2.031 178.367 176.300 0.060 0.000 1.100 54 R CA 1.102 57.235 56.100 0.056 0.000 0.980 54 R CB -0.656 29.664 30.300 0.033 0.000 0.875 54 R HN -0.046 nan 8.270 nan 0.000 0.445 55 V N 1.314 121.263 119.914 0.059 0.000 2.343 55 V HA -0.212 3.906 4.120 -0.003 0.000 0.247 55 V C 2.408 178.590 176.094 0.147 0.000 1.051 55 V CA 1.666 64.022 62.300 0.093 0.000 1.036 55 V CB -0.151 31.707 31.823 0.058 0.000 0.654 55 V HN 0.217 nan 8.190 nan 0.000 0.451 56 V N -0.336 119.663 119.914 0.141 0.000 2.379 56 V HA -0.208 3.910 4.120 -0.003 0.000 0.245 56 V C 2.372 178.528 176.094 0.105 0.000 1.044 56 V CA 1.877 64.281 62.300 0.172 0.000 1.036 56 V CB -0.589 31.362 31.823 0.214 0.000 0.664 56 V HN 0.606 nan 8.190 nan 0.000 0.453 57 E N 0.369 120.619 120.200 0.083 0.000 2.106 57 E HA -0.139 4.209 4.350 -0.003 0.000 0.192 57 E C 2.308 178.919 176.600 0.018 0.000 0.984 57 E CA 1.166 57.589 56.400 0.039 0.000 0.806 57 E CB -0.433 29.287 29.700 0.033 0.000 0.750 57 E HN 0.648 nan 8.360 nan 0.000 0.458 58 G N 1.597 110.413 108.800 0.027 0.000 2.418 58 G HA2 -0.304 3.655 3.960 -0.003 0.000 0.217 58 G HA3 -0.304 3.655 3.960 -0.003 0.000 0.217 58 G C 1.446 176.328 174.900 -0.029 0.000 1.158 58 G CA 0.705 45.809 45.100 0.007 0.000 0.771 58 G HN 0.184 nan 8.290 nan 0.000 0.545 59 N N 0.357 119.025 118.700 -0.053 0.000 2.135 59 N HA -0.066 4.672 4.740 -0.003 0.000 0.186 59 N C 2.243 177.670 175.510 -0.139 0.000 1.027 59 N CA 0.963 53.894 53.050 -0.198 0.000 0.849 59 N CB -0.068 38.129 38.487 -0.483 0.000 1.002 59 N HN 0.228 nan 8.380 nan 0.000 0.425 60 I N 2.195 122.726 120.570 -0.065 0.000 2.361 60 I HA -0.147 4.022 4.170 -0.003 0.000 0.251 60 I C 1.369 177.461 176.117 -0.041 0.000 1.133 60 I CA 1.058 62.332 61.300 -0.043 0.000 1.413 60 I CB -0.424 37.564 38.000 -0.020 0.000 1.073 60 I HN 0.123 nan 8.210 nan 0.000 0.424 61 N N 0.255 118.932 118.700 -0.038 0.000 2.571 61 N HA -0.011 4.728 4.740 -0.003 0.000 0.189 61 N C 1.492 176.977 175.510 -0.041 0.000 1.154 61 N CA 0.603 53.631 53.050 -0.037 0.000 0.907 61 N CB 0.016 38.486 38.487 -0.028 0.000 0.977 61 N HN 0.435 nan 8.380 nan 0.000 0.449 62 L N -0.262 120.934 121.223 -0.045 0.000 2.509 62 L HA 0.067 4.406 4.340 -0.003 0.000 0.222 62 L C 0.823 177.648 176.870 -0.075 0.000 1.123 62 L CA 0.039 54.860 54.840 -0.031 0.000 0.856 62 L CB -0.049 42.004 42.059 -0.009 0.000 0.985 62 L HN -0.012 nan 8.230 nan 0.000 0.456 63 D N 2.292 122.636 120.400 -0.094 0.000 2.520 63 D HA -0.044 4.594 4.640 -0.003 0.000 0.243 63 D C -1.353 174.799 176.300 -0.247 0.000 1.160 63 D CA -1.035 52.859 54.000 -0.176 0.000 0.877 63 D CB 1.438 42.199 40.800 -0.065 0.000 1.150 63 D HN 0.032 nan 8.370 nan 0.000 0.494 64 P HA -0.158 nan 4.420 nan 0.000 0.219 64 P C 0.982 178.153 177.300 -0.216 0.000 1.146 64 P CA 0.899 63.779 63.100 -0.367 0.000 0.808 64 P CB 0.217 31.531 31.700 -0.644 0.000 0.779 65 R N -0.462 119.915 120.500 -0.205 0.000 2.237 65 R HA 0.069 4.407 4.340 -0.003 0.000 0.219 65 R C 2.344 178.594 176.300 -0.083 0.000 1.080 65 R CA 0.577 56.604 56.100 -0.122 0.000 0.995 65 R CB -0.645 29.596 30.300 -0.099 0.000 0.875 65 R HN 0.283 nan 8.270 nan 0.000 0.462 66 L N 0.595 121.767 121.223 -0.084 0.000 2.478 66 L HA -0.071 4.267 4.340 -0.003 0.000 0.223 66 L C 1.291 178.131 176.870 -0.050 0.000 1.140 66 L CA 0.569 55.373 54.840 -0.059 0.000 0.842 66 L CB -0.010 42.016 42.059 -0.055 0.000 0.953 66 L HN 0.095 nan 8.230 nan 0.000 0.452 67 Q N -0.164 119.603 119.800 -0.055 0.000 2.222 67 Q HA 0.145 4.483 4.340 -0.003 0.000 0.206 67 Q C -0.498 175.481 176.000 -0.035 0.000 0.877 67 Q CA 0.378 56.158 55.803 -0.040 0.000 0.958 67 Q CB 0.477 29.194 28.738 -0.035 0.000 1.075 67 Q HN 0.423 nan 8.270 nan 0.000 0.483 68 D N 0.262 120.639 120.400 -0.038 0.000 2.621 68 D HA 0.080 4.719 4.640 -0.003 0.000 0.274 68 D C -0.763 175.520 176.300 -0.029 0.000 1.215 68 D CA -0.246 53.735 54.000 -0.032 0.000 0.810 68 D CB 0.849 41.627 40.800 -0.036 0.000 1.248 68 D HN -0.205 nan 8.370 nan 0.000 0.517 69 S N 2.246 117.931 115.700 -0.025 0.000 3.356 69 S HA -0.128 4.340 4.470 -0.003 0.000 0.376 69 S C -1.960 172.626 174.600 -0.025 0.000 0.924 69 S CA -0.174 58.012 58.200 -0.023 0.000 1.316 69 S CB -1.037 62.152 63.200 -0.019 0.000 0.922 69 S HN 0.448 nan 8.310 nan 0.000 0.553 70 P HA 0.269 nan 4.420 nan 0.000 0.271 70 P C 0.343 177.628 177.300 -0.025 0.000 1.220 70 P CA -0.333 62.750 63.100 -0.029 0.000 0.768 70 P CB 0.910 32.590 31.700 -0.033 0.000 0.848 71 S N 2.766 118.452 115.700 -0.023 0.000 2.608 71 S HA 0.037 4.506 4.470 -0.003 0.000 0.261 71 S C 1.253 175.840 174.600 -0.022 0.000 1.314 71 S CA -0.653 57.534 58.200 -0.020 0.000 0.992 71 S CB 0.303 63.492 63.200 -0.018 0.000 0.935 71 S HN 0.402 nan 8.310 nan 0.000 0.564 72 L N 0.582 121.793 121.223 -0.021 0.000 2.093 72 L HA 0.025 4.363 4.340 -0.003 0.000 0.208 72 L C 2.423 179.278 176.870 -0.024 0.000 1.085 72 L CA 2.117 56.944 54.840 -0.022 0.000 0.755 72 L CB -1.234 40.813 42.059 -0.020 0.000 0.904 72 L HN 1.002 nan 8.230 nan 0.000 0.435 73 E N -0.753 119.435 120.200 -0.021 0.000 2.077 73 E HA -0.251 4.097 4.350 -0.003 0.000 0.193 73 E C 2.166 178.752 176.600 -0.023 0.000 0.989 73 E CA 1.413 57.800 56.400 -0.021 0.000 0.800 73 E CB -0.195 29.495 29.700 -0.016 0.000 0.746 73 E HN 0.470 nan 8.360 nan 0.000 0.452 74 L N 1.626 122.836 121.223 -0.022 0.000 1.994 74 L HA -0.169 4.170 4.340 -0.003 0.000 0.208 74 L C 2.023 178.875 176.870 -0.029 0.000 1.071 74 L CA 1.911 56.737 54.840 -0.022 0.000 0.745 74 L CB -0.364 41.682 42.059 -0.022 0.000 0.892 74 L HN -0.026 nan 8.230 nan 0.000 0.431 75 K N -0.948 119.433 120.400 -0.032 0.000 2.103 75 K HA -0.247 4.072 4.320 -0.003 0.000 0.207 75 K C 2.151 178.724 176.600 -0.045 0.000 1.048 75 K CA 1.612 57.876 56.287 -0.038 0.000 0.930 75 K CB -0.235 32.243 32.500 -0.036 0.000 0.716 75 K HN 0.319 nan 8.250 nan 0.000 0.444 76 Q N 0.979 120.753 119.800 -0.043 0.000 2.172 76 Q HA -0.073 4.266 4.340 -0.003 0.000 0.200 76 Q C 2.082 178.049 176.000 -0.054 0.000 0.964 76 Q CA 1.524 57.296 55.803 -0.051 0.000 0.855 76 Q CB -0.205 28.507 28.738 -0.043 0.000 0.918 76 Q HN 0.151 nan 8.270 nan 0.000 0.444 77 S N -0.860 114.814 115.700 -0.044 0.000 2.368 77 S HA -0.041 4.428 4.470 -0.003 0.000 0.225 77 S C 1.724 176.292 174.600 -0.052 0.000 1.030 77 S CA 1.036 59.210 58.200 -0.043 0.000 0.999 77 S CB -0.238 62.943 63.200 -0.032 0.000 0.844 77 S HN 0.513 nan 8.310 nan 0.000 0.459 78 L N 0.694 121.888 121.223 -0.049 0.000 2.201 78 L HA -0.048 4.290 4.340 -0.003 0.000 0.212 78 L C 2.574 179.404 176.870 -0.067 0.000 1.105 78 L CA 1.252 56.062 54.840 -0.051 0.000 0.775 78 L CB -0.755 41.281 42.059 -0.039 0.000 0.913 78 L HN 0.354 nan 8.230 nan 0.000 0.440 79 T N -0.995 113.510 114.554 -0.082 0.000 2.857 79 T HA -0.143 4.205 4.350 -0.003 0.000 0.266 79 T C 1.709 176.315 174.700 -0.158 0.000 1.048 79 T CA 1.022 63.050 62.100 -0.120 0.000 1.139 79 T CB -0.023 68.771 68.868 -0.123 0.000 0.874 79 T HN 0.343 nan 8.240 nan 0.000 0.455 80 E N 0.805 120.932 120.200 -0.121 0.000 2.106 80 E HA -0.125 4.224 4.350 -0.003 0.000 0.192 80 E C 2.259 178.811 176.600 -0.081 0.000 0.984 80 E CA 0.822 57.153 56.400 -0.115 0.000 0.806 80 E CB -0.009 29.648 29.700 -0.072 0.000 0.750 80 E HN 0.539 nan 8.360 nan 0.000 0.458 81 E N 0.373 120.535 120.200 -0.063 0.000 2.072 81 E HA -0.193 4.155 4.350 -0.003 0.000 0.191 81 E C 2.035 178.627 176.600 -0.014 0.000 0.985 81 E CA 0.894 57.272 56.400 -0.037 0.000 0.801 81 E CB -0.046 29.616 29.700 -0.064 0.000 0.750 81 E HN 0.228 nan 8.360 nan 0.000 0.452 82 A N 1.140 123.935 122.820 -0.041 0.000 1.940 82 A HA -0.247 4.071 4.320 -0.003 0.000 0.219 82 A C 1.894 179.479 177.584 0.002 0.000 1.176 82 A CA 1.734 53.765 52.037 -0.009 0.000 0.631 82 A CB -0.510 18.460 19.000 -0.050 0.000 0.814 82 A HN 0.323 nan 8.150 nan 0.000 0.446 83 E N -0.643 119.459 120.200 -0.163 0.000 2.077 83 E HA -0.177 4.172 4.350 -0.003 0.000 0.193 83 E C 2.354 179.083 176.600 0.215 0.000 0.989 83 E CA 1.053 57.290 56.400 -0.272 0.000 0.800 83 E CB -0.169 29.109 29.700 -0.704 0.000 0.746 83 E HN 0.546 nan 8.360 nan 0.000 0.452 84 R N 0.286 120.894 120.500 0.180 0.000 2.075 84 R HA -0.114 4.224 4.340 -0.003 0.000 0.232 84 R C 2.418 178.937 176.300 0.363 0.000 1.126 84 R CA 0.677 56.981 56.100 0.340 0.000 0.963 84 R CB -0.297 30.167 30.300 0.273 0.000 0.858 84 R HN 0.098 nan 8.270 nan 0.000 0.435 85 L N 0.011 121.361 121.223 0.211 0.000 2.046 85 L HA -0.209 4.129 4.340 -0.003 0.000 0.208 85 L C 2.075 179.062 176.870 0.195 0.000 1.077 85 L CA 1.685 56.611 54.840 0.145 0.000 0.747 85 L CB -0.674 41.466 42.059 0.134 0.000 0.896 85 L HN 0.114 nan 8.230 nan 0.000 0.432 86 Y N 0.400 120.804 120.300 0.172 0.000 2.145 86 Y HA -0.313 4.236 4.550 -0.003 0.000 0.286 86 Y C 2.728 178.772 175.900 0.241 0.000 1.145 86 Y CA 2.395 60.609 58.100 0.189 0.000 1.148 86 Y CB -0.206 38.418 38.460 0.274 0.000 0.981 86 Y HN 0.216 nan 8.280 nan 0.000 0.507 87 K N -0.303 120.437 120.400 0.567 0.000 2.103 87 K HA -0.220 4.099 4.320 -0.003 0.000 0.207 87 K C 2.041 178.930 176.600 0.482 0.000 1.048 87 K CA 1.596 58.201 56.287 0.531 0.000 0.930 87 K CB -0.471 32.365 32.500 0.560 0.000 0.716 87 K HN 0.382 nan 8.250 nan 0.000 0.444 88 L N 1.215 122.647 121.223 0.348 0.000 2.005 88 L HA -0.092 4.246 4.340 -0.003 0.000 0.207 88 L C 1.945 178.768 176.870 -0.079 0.000 1.072 88 L CA 1.639 56.421 54.840 -0.097 0.000 0.744 88 L CB -0.335 41.369 42.059 -0.591 0.000 0.895 88 L HN 0.232 nan 8.230 nan 0.000 0.433 89 I N -1.645 118.885 120.570 -0.067 0.000 2.252 89 I HA -0.315 3.853 4.170 -0.003 0.000 0.245 89 I C 2.385 178.488 176.117 -0.022 0.000 1.102 89 I CA 1.470 62.717 61.300 -0.088 0.000 1.385 89 I CB -0.510 37.398 38.000 -0.153 0.000 1.064 89 I HN 0.336 nan 8.210 nan 0.000 0.414 90 Y N 1.806 121.954 120.300 -0.254 0.000 2.207 90 Y HA -0.212 4.336 4.550 -0.003 0.000 0.287 90 Y C 2.339 178.314 175.900 0.125 0.000 1.156 90 Y CA 1.653 59.642 58.100 -0.185 0.000 1.182 90 Y CB -0.614 37.646 38.460 -0.333 0.000 0.979 90 Y HN 0.095 nan 8.280 nan 0.000 0.521 91 G N -0.907 107.950 108.800 0.095 0.000 2.650 91 G HA2 -0.019 3.939 3.960 -0.003 0.000 0.214 91 G HA3 -0.019 3.939 3.960 -0.003 0.000 0.214 91 G C 0.861 175.706 174.900 -0.091 0.000 1.136 91 G CA 0.514 45.632 45.100 0.030 0.000 0.789 91 G HN 0.515 nan 8.290 nan 0.000 0.536 92 L N -1.324 119.839 121.223 -0.099 0.000 4.351 92 L HA -0.195 4.144 4.340 -0.003 0.000 0.410 92 L C 2.012 178.839 176.870 -0.072 0.000 1.150 92 L CA 0.050 54.804 54.840 -0.142 0.000 0.961 92 L CB -1.559 40.290 42.059 -0.350 0.000 2.130 92 L HN 0.284 nan 8.230 nan 0.000 0.787 93 G N -0.533 108.214 108.800 -0.089 0.000 2.572 93 G HA2 0.400 4.359 3.960 -0.003 0.000 0.216 93 G HA3 0.400 4.359 3.960 -0.003 0.000 0.216 93 G C 0.567 175.383 174.900 -0.140 0.000 1.133 93 G CA 0.978 46.003 45.100 -0.125 0.000 0.791 93 G HN 0.735 nan 8.290 nan 0.000 0.538 94 A N -2.051 120.676 122.820 -0.156 0.000 2.597 94 A HA 0.736 5.054 4.320 -0.003 0.000 0.292 94 A C -0.843 176.528 177.584 -0.356 0.000 1.057 94 A CA 0.131 51.982 52.037 -0.309 0.000 0.674 94 A CB 1.226 20.053 19.000 -0.288 0.000 1.278 94 A HN 0.593 nan 8.150 nan 0.000 0.416 95 T N 1.019 115.128 114.554 -0.742 0.000 2.830 95 T HA 0.744 5.092 4.350 -0.003 0.000 0.322 95 T C -3.152 170.698 174.700 -1.415 0.000 1.501 95 T CA -0.982 60.643 62.100 -0.792 0.000 1.036 95 T CB 2.021 70.705 68.868 -0.308 0.000 1.379 95 T HN 0.516 nan 8.240 nan 0.000 0.493 96 P HA 0.300 nan 4.420 nan 0.000 0.289 96 P C -0.158 176.871 177.300 -0.452 0.000 1.299 96 P CA -0.340 62.209 63.100 -0.919 0.000 0.766 96 P CB 0.235 31.642 31.700 -0.488 0.000 1.226 97 S N -1.643 113.933 115.700 -0.205 0.000 2.580 97 S HA 0.139 4.607 4.470 -0.003 0.000 0.266 97 S C 1.848 176.394 174.600 -0.091 0.000 1.354 97 S CA 0.176 58.315 58.200 -0.102 0.000 1.008 97 S CB -0.606 62.595 63.200 0.003 0.000 0.898 97 S HN 0.646 nan 8.310 nan 0.000 0.555 98 G N 1.298 110.076 108.800 -0.036 0.000 2.442 98 G HA2 -0.286 3.673 3.960 -0.003 0.000 0.219 98 G HA3 -0.286 3.673 3.960 -0.003 0.000 0.219 98 G C 1.470 176.469 174.900 0.165 0.000 1.141 98 G CA 1.005 46.097 45.100 -0.012 0.000 0.763 98 G HN 0.772 nan 8.290 nan 0.000 0.554 99 R N 1.224 121.831 120.500 0.179 0.000 2.083 99 R HA -0.034 4.304 4.340 -0.003 0.000 0.237 99 R C 2.180 178.614 176.300 0.224 0.000 1.137 99 R CA 2.026 58.264 56.100 0.230 0.000 0.951 99 R CB -1.071 29.341 30.300 0.187 0.000 0.851 99 R HN 0.456 nan 8.270 nan 0.000 0.434 100 N N -0.117 118.674 118.700 0.152 0.000 2.188 100 N HA -0.105 4.634 4.740 -0.003 0.000 0.184 100 N C 1.656 177.247 175.510 0.135 0.000 1.018 100 N CA 1.459 54.607 53.050 0.163 0.000 0.858 100 N CB -0.043 38.569 38.487 0.208 0.000 0.989 100 N HN 0.246 nan 8.380 nan 0.000 0.426 101 L N -0.117 121.141 121.223 0.060 0.000 2.093 101 L HA -0.132 4.206 4.340 -0.003 0.000 0.208 101 L C 2.338 179.367 176.870 0.264 0.000 1.085 101 L CA 0.878 55.755 54.840 0.062 0.000 0.755 101 L CB -0.377 41.537 42.059 -0.242 0.000 0.904 101 L HN 0.449 nan 8.230 nan 0.000 0.435 102 W N 0.143 121.556 121.300 0.187 0.000 2.476 102 W HA -0.099 4.560 4.660 -0.003 0.000 0.281 102 W C 1.773 178.362 176.519 0.118 0.000 1.230 102 W CA 0.883 58.359 57.345 0.219 0.000 1.287 102 W CB 0.372 29.964 29.460 0.220 0.000 1.108 102 W HN 0.112 nan 8.180 nan 0.000 0.567 103 I N 0.340 120.939 120.570 0.049 0.000 4.456 103 I HA 0.109 4.277 4.170 -0.003 0.000 0.329 103 I C 1.019 177.151 176.117 0.026 0.000 1.313 103 I CA 0.289 61.562 61.300 -0.044 0.000 1.205 103 I CB 0.145 38.216 38.000 0.119 0.000 1.179 103 I HN -0.302 nan 8.210 nan 0.000 0.419 104 S N 0.431 116.173 115.700 0.070 0.000 2.537 104 S HA 0.367 4.836 4.470 -0.003 0.000 0.286 104 S C 1.321 175.944 174.600 0.039 0.000 1.299 104 S CA 0.776 59.021 58.200 0.075 0.000 1.067 104 S CB -0.036 63.239 63.200 0.126 0.000 0.864 104 S HN 0.816 nan 8.310 nan 0.000 0.494 105 G N 3.121 111.938 108.800 0.028 0.000 2.162 105 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.260 105 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.260 105 G C 0.212 175.114 174.900 0.003 0.000 0.976 105 G CA 0.549 45.658 45.100 0.015 0.000 0.655 105 G HN 1.371 nan 8.290 nan 0.000 0.533 106 T N -2.611 111.944 114.554 0.001 0.000 2.927 106 T HA 0.595 4.944 4.350 -0.003 0.000 0.281 106 T C 0.954 175.670 174.700 0.026 0.000 0.998 106 T CA 0.185 62.284 62.100 -0.003 0.000 1.019 106 T CB 1.706 70.555 68.868 -0.031 0.000 1.061 106 T HN -0.115 nan 8.240 nan 0.000 0.518 107 D N -0.339 120.080 120.400 0.031 0.000 2.144 107 D HA -0.089 4.549 4.640 -0.003 0.000 0.199 107 D C 1.464 177.795 176.300 0.051 0.000 0.984 107 D CA 1.331 55.348 54.000 0.029 0.000 0.834 107 D CB -0.477 40.340 40.800 0.029 0.000 0.955 107 D HN 0.722 nan 8.370 nan 0.000 0.465 108 Y N 1.585 121.868 120.300 -0.029 0.000 2.128 108 Y HA -0.266 4.283 4.550 -0.002 0.000 0.284 108 Y C 2.431 178.322 175.900 -0.016 0.000 1.154 108 Y CA 1.920 60.014 58.100 -0.011 0.000 1.149 108 Y CB -0.114 38.341 38.460 -0.008 0.000 0.976 108 Y HN -0.115 nan 8.280 nan 0.000 0.505 109 Q N 0.903 120.776 119.800 0.122 0.000 2.061 109 Q HA -0.241 4.098 4.340 -0.003 0.000 0.204 109 Q C 2.275 178.230 176.000 -0.074 0.000 0.984 109 Q CA 2.091 57.910 55.803 0.027 0.000 0.846 109 Q CB -0.254 28.529 28.738 0.075 0.000 0.902 109 Q HN 0.564 nan 8.270 nan 0.000 0.421 110 R N 0.072 120.542 120.500 -0.050 0.000 2.105 110 R HA -0.167 4.172 4.340 -0.003 0.000 0.239 110 R C 2.273 178.516 176.300 -0.096 0.000 1.135 110 R CA 1.962 58.025 56.100 -0.061 0.000 0.967 110 R CB -0.298 29.979 30.300 -0.038 0.000 0.861 110 R HN 0.328 nan 8.270 nan 0.000 0.442 111 R N -0.272 120.147 120.500 -0.135 0.000 2.334 111 R HA 0.139 4.478 4.340 -0.003 0.000 0.216 111 R C -0.455 175.711 176.300 -0.223 0.000 0.905 111 R CA 0.284 56.292 56.100 -0.153 0.000 1.064 111 R CB 0.549 30.772 30.300 -0.128 0.000 1.046 111 R HN -0.174 nan 8.270 nan 0.000 0.508 112 T N 0.928 115.297 114.554 -0.308 0.000 2.833 112 T HA 0.439 4.787 4.350 -0.003 0.000 0.297 112 T C 0.157 174.737 174.700 -0.200 0.000 1.015 112 T CA -0.572 61.323 62.100 -0.342 0.000 0.963 112 T CB 1.595 70.026 68.868 -0.730 0.000 0.955 112 T HN 0.385 nan 8.240 nan 0.000 0.449 113 G N 1.291 110.007 108.800 -0.140 0.000 2.614 113 G HA2 0.341 4.300 3.960 -0.003 0.000 0.239 113 G HA3 0.341 4.300 3.960 -0.003 0.000 0.239 113 G C 0.239 175.117 174.900 -0.036 0.000 1.240 113 G CA -0.476 44.562 45.100 -0.105 0.000 0.842 113 G HN 0.783 nan 8.290 nan 0.000 0.584 114 D N -0.844 119.545 120.400 -0.018 0.000 3.006 114 D HA -0.296 4.343 4.640 -0.003 0.000 0.208 114 D C 2.047 178.516 176.300 0.281 0.000 1.116 114 D CA 1.736 55.895 54.000 0.266 0.000 0.998 114 D CB -1.391 39.606 40.800 0.327 0.000 1.124 114 D HN 0.649 nan 8.370 nan 0.000 0.413 115 S N -0.436 115.334 115.700 0.116 0.000 2.469 115 S HA -0.056 4.412 4.470 -0.003 0.000 0.238 115 S C 1.815 176.526 174.600 0.186 0.000 0.998 115 S CA 0.587 58.887 58.200 0.168 0.000 0.957 115 S CB -0.214 63.055 63.200 0.114 0.000 0.764 115 S HN 0.497 nan 8.310 nan 0.000 0.514 116 L N 0.489 121.795 121.223 0.139 0.000 2.592 116 L HA 0.347 4.686 4.340 -0.003 0.000 0.227 116 L C -0.366 176.597 176.870 0.155 0.000 1.127 116 L CA -0.156 54.769 54.840 0.141 0.000 0.884 116 L CB -0.348 41.766 42.059 0.092 0.000 1.065 116 L HN 0.218 nan 8.230 nan 0.000 0.457 117 N N -0.651 118.162 118.700 0.189 0.000 2.342 117 N HA 0.191 4.930 4.740 -0.003 0.000 0.293 117 N C 0.155 175.734 175.510 0.114 0.000 1.026 117 N CA -0.342 52.737 53.050 0.048 0.000 0.857 117 N CB 1.213 39.585 38.487 -0.192 0.000 1.256 117 N HN -0.061 nan 8.380 nan 0.000 0.484 118 N N 0.317 119.031 118.700 0.024 0.000 2.254 118 N HA 0.153 4.891 4.740 -0.003 0.000 0.190 118 N C -0.881 174.692 175.510 0.105 0.000 1.107 118 N CA 0.001 53.128 53.050 0.129 0.000 0.869 118 N CB 0.363 38.920 38.487 0.117 0.000 0.983 118 N HN 0.543 nan 8.380 nan 0.000 0.487 119 c N -0.890 117.615 118.600 -0.159 0.000 3.086 119 c HA 0.706 5.274 4.570 -0.003 0.000 0.311 119 c C -1.324 172.566 174.090 -0.333 0.000 1.260 119 c CA -1.336 54.979 56.329 -0.023 0.000 1.426 119 c CB -0.232 42.296 42.510 0.029 0.000 1.826 119 c HN 0.234 nan 8.230 nan 0.000 0.474 120 W N -0.224 121.181 121.300 0.175 0.000 2.961 120 W HA 0.725 5.383 4.660 -0.003 0.000 0.368 120 W C -1.112 175.566 176.519 0.266 0.000 1.213 120 W CA -0.676 56.804 57.345 0.225 0.000 1.173 120 W CB 0.868 30.493 29.460 0.275 0.000 1.487 120 W HN 0.742 nan 8.180 nan 0.000 0.585 121 F N 1.562 121.737 119.950 0.376 0.000 2.578 121 F HA 0.806 5.331 4.527 -0.003 0.000 0.311 121 F C -1.820 174.023 175.800 0.071 0.000 1.094 121 F CA -1.257 56.857 58.000 0.189 0.000 0.923 121 F CB 1.387 40.428 39.000 0.069 0.000 1.230 121 F HN 0.211 nan 8.300 nan 0.000 0.450 122 V N 4.615 123.716 119.914 -1.354 0.000 2.932 122 V HA 0.857 4.976 4.120 -0.003 0.000 0.307 122 V C -1.284 174.081 176.094 -1.215 0.000 1.147 122 V CA -0.337 61.308 62.300 -1.091 0.000 0.951 122 V CB 1.816 33.203 31.823 -0.727 0.000 1.031 122 V HN 1.241 nan 8.190 nan 0.000 0.426 123 A N 6.728 129.121 122.820 -0.711 0.000 2.328 123 A HA 0.663 4.982 4.320 -0.003 0.000 0.284 123 A C -0.095 177.281 177.584 -0.347 0.000 1.160 123 A CA -0.500 51.333 52.037 -0.341 0.000 0.818 123 A CB 0.281 19.224 19.000 -0.096 0.000 1.087 123 A HN 0.732 nan 8.150 nan 0.000 0.504 124 I N 3.780 124.188 120.570 -0.270 0.000 2.268 124 I HA 0.172 4.340 4.170 -0.003 0.000 0.298 124 I C 0.705 176.666 176.117 -0.260 0.000 1.185 124 I CA 0.546 61.626 61.300 -0.368 0.000 1.548 124 I CB -1.697 36.104 38.000 -0.331 0.000 1.492 124 I HN 0.782 nan 8.210 nan 0.000 0.711 125 R N 4.428 124.770 120.500 -0.263 0.000 2.771 125 R HA 0.744 5.082 4.340 -0.003 0.000 0.274 125 R C -3.177 173.007 176.300 -0.193 0.000 0.987 125 R CA -2.018 53.975 56.100 -0.178 0.000 0.908 125 R CB 1.008 31.230 30.300 -0.129 0.000 1.213 125 R HN -0.073 nan 8.270 nan 0.000 0.468 126 P HA 0.024 nan 4.420 nan 0.000 0.265 126 P C -1.164 176.062 177.300 -0.125 0.000 1.193 126 P CA 0.081 63.101 63.100 -0.134 0.000 0.765 126 P CB 0.652 32.283 31.700 -0.115 0.000 0.823 127 Q N 0.995 120.716 119.800 -0.131 0.000 2.511 127 Q HA 0.341 4.679 4.340 -0.003 0.000 0.289 127 Q C -0.576 175.381 176.000 -0.072 0.000 1.021 127 Q CA -1.241 54.488 55.803 -0.122 0.000 0.785 127 Q CB 2.292 30.910 28.738 -0.200 0.000 1.472 127 Q HN 0.359 nan 8.270 nan 0.000 0.411 128 K N -0.113 120.274 120.400 -0.020 0.000 2.154 128 K HA 0.230 4.548 4.320 -0.003 0.000 0.264 128 K C -0.311 176.340 176.600 0.086 0.000 1.008 128 K CA -0.331 56.001 56.287 0.074 0.000 0.937 128 K CB 0.696 33.239 32.500 0.070 0.000 1.002 128 K HN 0.550 nan 8.250 nan 0.000 0.469 129 Y N 1.329 121.682 120.300 0.089 0.000 2.314 129 Y HA 0.005 4.553 4.550 -0.003 0.000 0.293 129 Y C 1.560 177.537 175.900 0.128 0.000 1.129 129 Y CA 1.403 59.604 58.100 0.168 0.000 1.201 129 Y CB -0.308 38.212 38.460 0.099 0.000 0.999 129 Y HN 1.162 nan 8.280 nan 0.000 0.541 130 G N 0.283 109.206 108.800 0.205 0.000 2.645 130 G HA2 -0.350 3.609 3.960 -0.003 0.000 0.239 130 G HA3 -0.350 3.609 3.960 -0.003 0.000 0.239 130 G C -0.685 174.264 174.900 0.082 0.000 1.331 130 G CA -0.082 45.089 45.100 0.119 0.000 0.890 130 G HN 0.302 nan 8.290 nan 0.000 0.572 131 D N 0.757 121.188 120.400 0.051 0.000 2.608 131 D HA 0.518 5.157 4.640 -0.003 0.000 0.224 131 D C 0.534 176.829 176.300 -0.008 0.000 1.123 131 D CA 0.513 54.520 54.000 0.013 0.000 1.030 131 D CB -0.408 40.399 40.800 0.012 0.000 1.093 131 D HN 0.548 nan 8.370 nan 0.000 0.497 132 S N 1.458 117.127 115.700 -0.051 0.000 2.689 132 S HA 0.285 4.753 4.470 -0.003 0.000 0.306 132 S C 1.103 175.548 174.600 -0.257 0.000 1.104 132 S CA -0.862 57.234 58.200 -0.175 0.000 0.973 132 S CB 1.892 64.919 63.200 -0.288 0.000 1.121 132 S HN 0.104 nan 8.310 nan 0.000 0.523 133 K N 0.812 120.998 120.400 -0.358 0.000 2.063 133 K HA 0.117 4.435 4.320 -0.003 0.000 0.208 133 K C 0.183 176.600 176.600 -0.306 0.000 1.048 133 K CA 1.315 57.424 56.287 -0.297 0.000 0.928 133 K CB -0.247 32.073 32.500 -0.301 0.000 0.713 133 K HN 0.515 nan 8.250 nan 0.000 0.442 134 I N 1.115 121.412 120.570 -0.455 0.000 2.321 134 I HA 0.170 4.339 4.170 -0.003 0.000 0.291 134 I C -1.043 174.901 176.117 -0.288 0.000 0.998 134 I CA -0.789 60.314 61.300 -0.330 0.000 1.227 134 I CB 1.589 39.418 38.000 -0.285 0.000 1.368 134 I HN -0.318 nan 8.210 nan 0.000 0.466 135 V N 7.576 127.300 119.914 -0.317 0.000 2.577 135 V HA 0.267 4.386 4.120 -0.003 0.000 0.294 135 V C -2.305 173.474 176.094 -0.525 0.000 1.052 135 V CA -1.495 60.531 62.300 -0.457 0.000 0.891 135 V CB 1.689 33.353 31.823 -0.265 0.000 1.017 135 V HN 0.585 nan 8.190 nan 0.000 0.436 136 P HA 0.034 nan 4.420 nan 0.000 0.264 136 P C 1.171 178.054 177.300 -0.694 0.000 1.179 136 P CA 0.375 63.006 63.100 -0.782 0.000 0.763 136 P CB 0.670 31.648 31.700 -1.203 0.000 0.806 137 S N 2.201 117.622 115.700 -0.465 0.000 2.400 137 S HA -0.247 4.221 4.470 -0.003 0.000 0.232 137 S C 1.581 176.068 174.600 -0.189 0.000 1.025 137 S CA 1.369 59.421 58.200 -0.247 0.000 0.993 137 S CB -1.369 61.767 63.200 -0.107 0.000 0.808 137 S HN 0.617 nan 8.310 nan 0.000 0.478 138 Y N 0.847 121.088 120.300 -0.098 0.000 2.529 138 Y HA 0.617 5.166 4.550 -0.003 0.000 0.290 138 Y C 0.385 176.260 175.900 -0.041 0.000 1.177 138 Y CA -0.942 57.123 58.100 -0.058 0.000 1.305 138 Y CB -0.518 37.914 38.460 -0.047 0.000 1.047 138 Y HN 0.132 nan 8.280 nan 0.000 0.522 139 L N 1.052 122.073 121.223 -0.337 0.000 2.334 139 L HA 0.700 5.039 4.340 -0.003 0.000 0.276 139 L C 0.702 177.500 176.870 -0.120 0.000 1.014 139 L CA -1.191 53.541 54.840 -0.179 0.000 0.815 139 L CB 1.828 43.714 42.059 -0.289 0.000 1.268 139 L HN 0.247 nan 8.230 nan 0.000 0.428 140 G N 0.633 109.413 108.800 -0.033 0.000 2.476 140 G HA2 0.219 4.178 3.960 -0.003 0.000 0.269 140 G HA3 0.219 4.178 3.960 -0.003 0.000 0.269 140 G C 0.438 175.335 174.900 -0.006 0.000 1.195 140 G CA -0.425 44.664 45.100 -0.019 0.000 0.843 140 G HN 0.739 nan 8.290 nan 0.000 0.545 141 K N 0.035 120.432 120.400 -0.004 0.000 2.211 141 K HA -0.104 4.214 4.320 -0.003 0.000 0.204 141 K C 1.852 178.487 176.600 0.059 0.000 1.047 141 K CA 1.165 57.467 56.287 0.026 0.000 0.935 141 K CB 0.145 32.654 32.500 0.014 0.000 0.728 141 K HN 0.343 nan 8.250 nan 0.000 0.452 142 Q N 0.466 120.292 119.800 0.044 0.000 2.280 142 Q HA 0.048 4.387 4.340 -0.003 0.000 0.201 142 Q C -0.335 175.697 176.000 0.053 0.000 0.890 142 Q CA 0.207 56.038 55.803 0.046 0.000 0.947 142 Q CB 0.634 29.391 28.738 0.031 0.000 1.081 142 Q HN 0.348 nan 8.270 nan 0.000 0.502 143 E N 1.776 122.015 120.200 0.066 0.000 2.152 143 E HA 0.122 4.470 4.350 -0.003 0.000 0.285 143 E C -0.655 176.005 176.600 0.100 0.000 1.043 143 E CA -0.272 56.173 56.400 0.075 0.000 0.839 143 E CB 0.635 30.380 29.700 0.075 0.000 1.069 143 E HN -0.090 nan 8.360 nan 0.000 0.399 144 K N 2.251 122.693 120.400 0.070 0.000 2.382 144 K HA 0.319 4.637 4.320 -0.003 0.000 0.275 144 K C -0.614 176.035 176.600 0.082 0.000 1.009 144 K CA -0.018 56.303 56.287 0.057 0.000 0.970 144 K CB 1.189 33.697 32.500 0.013 0.000 0.934 144 K HN 0.482 nan 8.250 nan 0.000 0.479 145 A N 2.197 125.073 122.820 0.092 0.000 2.449 145 A HA 0.309 4.628 4.320 -0.003 0.000 0.302 145 A C 0.713 178.313 177.584 0.028 0.000 1.048 145 A CA -0.827 51.286 52.037 0.125 0.000 0.708 145 A CB 1.389 20.584 19.000 0.324 0.000 1.274 145 A HN 0.446 nan 8.150 nan 0.000 0.410 146 V N 1.815 121.681 119.914 -0.080 0.000 2.515 146 V HA -0.197 3.922 4.120 -0.003 0.000 0.250 146 V C 2.703 178.874 176.094 0.129 0.000 1.058 146 V CA 2.806 65.017 62.300 -0.147 0.000 1.064 146 V CB -0.620 30.835 31.823 -0.613 0.000 0.675 146 V HN 1.109 nan 8.190 nan 0.000 0.461 147 S N -0.367 115.473 115.700 0.234 0.000 2.423 147 S HA -0.240 4.229 4.470 -0.003 0.000 0.231 147 S C 1.995 176.777 174.600 0.303 0.000 1.014 147 S CA 1.307 59.745 58.200 0.397 0.000 0.965 147 S CB -0.454 63.007 63.200 0.434 0.000 0.785 147 S HN 0.440 nan 8.310 nan 0.000 0.495 148 M N 3.255 122.877 119.600 0.036 0.000 2.110 148 M HA -0.074 4.404 4.480 -0.003 0.000 0.257 148 M C -0.996 175.098 176.300 -0.344 0.000 1.071 148 M CA 2.131 57.169 55.300 -0.436 0.000 1.096 148 M CB -1.990 30.234 32.600 -0.626 0.000 1.300 148 M HN 0.231 nan 8.290 nan 0.000 0.411 149 P HA -0.155 nan 4.420 nan 0.000 0.218 149 P C 1.520 178.563 177.300 -0.428 0.000 1.149 149 P CA 1.567 64.358 63.100 -0.514 0.000 0.817 149 P CB -0.508 30.801 31.700 -0.652 0.000 0.785 150 F N 0.615 120.493 119.950 -0.120 0.000 2.234 150 F HA -0.061 4.464 4.527 -0.003 0.000 0.299 150 F C 2.647 178.487 175.800 0.068 0.000 1.087 150 F CA 1.225 59.182 58.000 -0.072 0.000 1.340 150 F CB -1.327 37.643 39.000 -0.049 0.000 1.031 150 F HN -0.090 nan 8.300 nan 0.000 0.500 151 S N -0.083 115.798 115.700 0.302 0.000 2.371 151 S HA -0.159 4.309 4.470 -0.003 0.000 0.224 151 S C 1.885 176.627 174.600 0.237 0.000 1.029 151 S CA 0.888 59.332 58.200 0.408 0.000 0.978 151 S CB -0.654 62.902 63.200 0.594 0.000 0.833 151 S HN 0.389 nan 8.310 nan 0.000 0.466 152 F N 2.263 122.008 119.950 -0.342 0.000 2.102 152 F HA -0.087 4.438 4.527 -0.003 0.000 0.298 152 F C 1.975 177.534 175.800 -0.403 0.000 1.105 152 F CA 1.226 58.716 58.000 -0.851 0.000 1.239 152 F CB -0.371 37.885 39.000 -1.241 0.000 0.991 152 F HN 0.150 nan 8.300 nan 0.000 0.474 153 L N -0.711 120.482 121.223 -0.051 0.000 2.017 153 L HA -0.219 4.119 4.340 -0.003 0.000 0.208 153 L C 2.384 179.286 176.870 0.053 0.000 1.073 153 L CA 1.575 56.393 54.840 -0.035 0.000 0.745 153 L CB -0.914 41.105 42.059 -0.066 0.000 0.894 153 L HN 0.220 nan 8.230 nan 0.000 0.432 154 F N 1.125 121.059 119.950 -0.027 0.000 2.095 154 F HA -0.264 4.262 4.527 -0.003 0.000 0.298 154 F C 2.305 178.116 175.800 0.019 0.000 1.104 154 F CA 2.006 60.032 58.000 0.044 0.000 1.232 154 F CB -0.873 38.204 39.000 0.128 0.000 0.987 154 F HN 0.360 nan 8.300 nan 0.000 0.475 155 D N -0.156 120.294 120.400 0.083 0.000 2.097 155 D HA -0.178 4.460 4.640 -0.003 0.000 0.195 155 D C 2.036 178.264 176.300 -0.118 0.000 0.989 155 D CA 1.576 55.553 54.000 -0.038 0.000 0.827 155 D CB -0.076 40.809 40.800 0.140 0.000 0.966 155 D HN 0.183 nan 8.370 nan 0.000 0.456 156 E N -0.057 119.954 120.200 -0.316 0.000 2.106 156 E HA -0.095 4.254 4.350 -0.003 0.000 0.192 156 E C 2.453 179.030 176.600 -0.038 0.000 0.984 156 E CA 0.332 56.512 56.400 -0.368 0.000 0.806 156 E CB -0.295 28.889 29.700 -0.860 0.000 0.750 156 E HN 0.439 nan 8.360 nan 0.000 0.458 157 L N 0.139 121.386 121.223 0.039 0.000 2.093 157 L HA -0.128 4.211 4.340 -0.003 0.000 0.208 157 L C 2.524 179.474 176.870 0.133 0.000 1.085 157 L CA 0.798 55.718 54.840 0.132 0.000 0.755 157 L CB -0.370 41.789 42.059 0.167 0.000 0.904 157 L HN 0.128 nan 8.230 nan 0.000 0.435 158 M N -0.316 119.343 119.600 0.099 0.000 2.229 158 M HA -0.174 4.305 4.480 -0.003 0.000 0.264 158 M C 1.857 178.248 176.300 0.152 0.000 1.063 158 M CA 1.581 56.897 55.300 0.026 0.000 1.114 158 M CB -0.754 31.778 32.600 -0.112 0.000 1.387 158 M HN 0.143 nan 8.290 nan 0.000 0.420 159 K N -0.172 120.334 120.400 0.177 0.000 2.551 159 K HA 0.136 4.455 4.320 -0.003 0.000 0.192 159 K C 0.912 177.765 176.600 0.422 0.000 1.027 159 K CA 0.454 56.906 56.287 0.275 0.000 1.059 159 K CB -0.110 32.483 32.500 0.153 0.000 0.831 159 K HN 0.558 nan 8.250 nan 0.000 0.508 160 G N 0.548 109.651 108.800 0.505 0.000 2.132 160 G HA2 -0.212 3.747 3.960 -0.003 0.000 0.234 160 G HA3 -0.212 3.747 3.960 -0.003 0.000 0.234 160 G C 0.248 175.351 174.900 0.338 0.000 0.989 160 G CA -0.220 45.199 45.100 0.531 0.000 0.676 160 G HN 0.494 nan 8.290 nan 0.000 0.522 161 G N -0.842 108.145 108.800 0.311 0.000 2.521 161 G HA2 0.808 4.767 3.960 -0.003 0.000 0.323 161 G HA3 0.808 4.767 3.960 -0.003 0.000 0.323 161 G C 0.360 175.432 174.900 0.288 0.000 1.211 161 G CA 0.049 45.355 45.100 0.344 0.000 0.979 161 G HN 1.186 nan 8.290 nan 0.000 0.490 162 G N -1.732 107.244 108.800 0.294 0.000 2.417 162 G HA2 0.551 4.509 3.960 -0.003 0.000 0.334 162 G HA3 0.551 4.509 3.960 -0.003 0.000 0.334 162 G C -1.245 173.843 174.900 0.312 0.000 1.150 162 G CA -0.371 44.877 45.100 0.248 0.000 0.923 162 G HN 0.783 nan 8.290 nan 0.000 0.485 163 V N 0.543 120.627 119.914 0.283 0.000 2.623 163 V HA 0.714 4.833 4.120 -0.003 0.000 0.304 163 V C 0.619 176.907 176.094 0.322 0.000 1.054 163 V CA -0.608 61.887 62.300 0.325 0.000 0.882 163 V CB 1.646 33.633 31.823 0.273 0.000 1.002 163 V HN 1.036 nan 8.190 nan 0.000 0.424 164 G N 3.306 112.293 108.800 0.312 0.000 2.389 164 G HA2 0.798 4.756 3.960 -0.003 0.000 0.317 164 G HA3 0.798 4.756 3.960 -0.003 0.000 0.317 164 G C -1.087 173.944 174.900 0.219 0.000 1.137 164 G CA -0.370 44.891 45.100 0.267 0.000 0.870 164 G HN 0.822 nan 8.290 nan 0.000 0.496 165 F N -0.521 119.452 119.950 0.039 0.000 2.645 165 F HA 0.777 5.302 4.527 -0.003 0.000 0.310 165 F C -0.436 175.363 175.800 -0.001 0.000 1.102 165 F CA -1.572 56.279 58.000 -0.248 0.000 0.952 165 F CB 1.906 40.759 39.000 -0.243 0.000 1.326 165 F HN 0.488 nan 8.300 nan 0.000 0.456 166 S N 1.041 116.812 115.700 0.118 0.000 2.449 166 S HA 0.609 5.078 4.470 -0.003 0.000 0.310 166 S C -0.315 174.310 174.600 0.043 0.000 1.096 166 S CA -0.236 58.036 58.200 0.120 0.000 1.095 166 S CB 1.254 64.611 63.200 0.262 0.000 1.007 166 S HN 1.355 nan 8.310 nan 0.000 0.474 167 V N 2.966 122.842 119.914 -0.064 0.000 2.940 167 V HA 0.683 4.801 4.120 -0.003 0.000 0.366 167 V C 0.685 176.664 176.094 -0.191 0.000 1.353 167 V CA -0.393 61.851 62.300 -0.092 0.000 1.232 167 V CB -0.629 31.150 31.823 -0.073 0.000 1.278 167 V HN 0.885 nan 8.190 nan 0.000 0.546 168 A N 0.867 123.597 122.820 -0.150 0.000 2.483 168 A HA 0.393 4.711 4.320 -0.003 0.000 0.238 168 A C 1.518 179.046 177.584 -0.092 0.000 1.070 168 A CA 0.132 52.086 52.037 -0.138 0.000 0.770 168 A CB 0.122 19.068 19.000 -0.089 0.000 1.008 168 A HN 0.621 nan 8.150 nan 0.000 0.497 169 R N 1.062 121.515 120.500 -0.078 0.000 2.119 169 R HA -0.199 4.139 4.340 -0.003 0.000 0.246 169 R C 2.411 178.692 176.300 -0.032 0.000 1.146 169 R CA 1.998 58.072 56.100 -0.044 0.000 0.962 169 R CB -0.413 29.870 30.300 -0.029 0.000 0.863 169 R HN 0.956 nan 8.270 nan 0.000 0.442 170 S N 0.421 116.101 115.700 -0.034 0.000 2.442 170 S HA -0.086 4.382 4.470 -0.003 0.000 0.236 170 S C 1.479 176.061 174.600 -0.031 0.000 1.007 170 S CA 1.121 59.304 58.200 -0.028 0.000 0.965 170 S CB -0.141 63.043 63.200 -0.027 0.000 0.773 170 S HN 0.285 nan 8.310 nan 0.000 0.504 171 N N 1.589 120.266 118.700 -0.039 0.000 2.258 171 N HA 0.205 4.943 4.740 -0.003 0.000 0.183 171 N C 1.664 177.149 175.510 -0.041 0.000 1.029 171 N CA 0.927 53.948 53.050 -0.048 0.000 0.857 171 N CB -0.366 38.086 38.487 -0.058 0.000 1.008 171 N HN 0.286 nan 8.380 nan 0.000 0.433 172 I N 1.864 122.416 120.570 -0.030 0.000 2.335 172 I HA -0.184 3.984 4.170 -0.003 0.000 0.251 172 I C 2.193 178.311 176.117 0.002 0.000 1.129 172 I CA 1.123 62.419 61.300 -0.006 0.000 1.402 172 I CB -1.453 36.548 38.000 0.003 0.000 1.069 172 I HN 0.121 nan 8.210 nan 0.000 0.424 173 S N 0.270 115.967 115.700 -0.005 0.000 2.481 173 S HA -0.146 4.322 4.470 -0.003 0.000 0.231 173 S C 1.634 176.233 174.600 -0.002 0.000 0.996 173 S CA 0.502 58.703 58.200 0.001 0.000 0.942 173 S CB -0.393 62.805 63.200 -0.002 0.000 0.768 173 S HN 0.567 nan 8.310 nan 0.000 0.520 174 Q N 0.222 120.012 119.800 -0.016 0.000 2.451 174 Q HA 0.321 4.659 4.340 -0.003 0.000 0.206 174 Q C -0.135 175.847 176.000 -0.030 0.000 0.947 174 Q CA 0.179 55.967 55.803 -0.025 0.000 0.937 174 Q CB -0.004 28.710 28.738 -0.041 0.000 1.025 174 Q HN 0.620 nan 8.270 nan 0.000 0.511 175 I N 3.817 124.377 120.570 -0.017 0.000 2.352 175 I HA 0.153 4.321 4.170 -0.003 0.000 0.290 175 I C -1.876 174.262 176.117 0.035 0.000 1.036 175 I CA -2.100 59.187 61.300 -0.021 0.000 1.336 175 I CB 0.747 38.758 38.000 0.019 0.000 1.407 175 I HN -0.072 nan 8.210 nan 0.000 0.497 176 P HA 0.077 nan 4.420 nan 0.000 0.274 176 P C -0.471 176.969 177.300 0.234 0.000 1.256 176 P CA -0.686 62.485 63.100 0.118 0.000 0.795 176 P CB 0.647 32.415 31.700 0.114 0.000 1.038 177 R N 0.434 121.024 120.500 0.150 0.000 2.638 177 R HA 0.081 4.420 4.340 -0.003 0.000 0.268 177 R C -0.623 175.732 176.300 0.091 0.000 1.006 177 R CA -0.131 56.027 56.100 0.097 0.000 1.088 177 R CB -0.087 30.223 30.300 0.016 0.000 0.950 177 R HN 0.213 nan 8.270 nan 0.000 0.419 178 V N 5.986 125.877 119.914 -0.038 0.000 2.397 178 V HA -0.020 4.098 4.120 -0.003 0.000 0.262 178 V C 0.649 176.540 176.094 -0.339 0.000 1.047 178 V CA 0.160 62.255 62.300 -0.341 0.000 1.003 178 V CB 0.958 32.629 31.823 -0.254 0.000 1.037 178 V HN 0.876 nan 8.190 nan 0.000 0.480 179 D N 3.531 123.636 120.400 -0.492 0.000 2.137 179 D HA 0.026 4.665 4.640 -0.003 0.000 0.202 179 D C 0.222 176.062 176.300 -0.766 0.000 0.970 179 D CA 1.483 55.068 54.000 -0.691 0.000 0.837 179 D CB 0.236 40.410 40.800 -1.043 0.000 0.981 179 D HN 0.470 nan 8.370 nan 0.000 0.475 180 F N -0.036 119.803 119.950 -0.185 0.000 2.563 180 F HA 0.574 5.100 4.527 -0.003 0.000 0.316 180 F C 0.112 175.798 175.800 -0.191 0.000 1.076 180 F CA -1.607 56.288 58.000 -0.176 0.000 0.921 180 F CB 1.554 40.432 39.000 -0.204 0.000 1.209 180 F HN -0.294 nan 8.300 nan 0.000 0.462 181 A N 3.517 126.373 122.820 0.059 0.000 2.274 181 A HA 0.726 5.044 4.320 -0.003 0.000 0.309 181 A C -0.681 176.837 177.584 -0.109 0.000 1.226 181 A CA -0.491 51.544 52.037 -0.002 0.000 0.853 181 A CB 0.064 19.073 19.000 0.016 0.000 1.146 181 A HN 0.564 nan 8.150 nan 0.000 0.518 182 I N 2.066 122.501 120.570 -0.224 0.000 2.392 182 I HA 0.197 4.366 4.170 -0.003 0.000 0.295 182 I C -0.129 175.931 176.117 -0.095 0.000 0.985 182 I CA -0.401 60.757 61.300 -0.237 0.000 1.221 182 I CB 1.427 39.179 38.000 -0.413 0.000 1.366 182 I HN 0.774 nan 8.210 nan 0.000 0.467 183 D N 5.889 126.239 120.400 -0.084 0.000 2.347 183 D HA 0.387 5.025 4.640 -0.003 0.000 0.235 183 D C -0.931 175.346 176.300 -0.039 0.000 1.149 183 D CA -0.286 53.685 54.000 -0.047 0.000 0.850 183 D CB 0.767 41.541 40.800 -0.043 0.000 1.061 183 D HN 0.284 nan 8.370 nan 0.000 0.487 184 L N 3.442 124.652 121.223 -0.022 0.000 2.322 184 L HA 0.479 4.817 4.340 -0.003 0.000 0.281 184 L C -1.171 175.693 176.870 -0.010 0.000 1.014 184 L CA -0.226 54.606 54.840 -0.014 0.000 0.815 184 L CB 1.589 43.646 42.059 -0.004 0.000 1.247 184 L HN 0.478 nan 8.230 nan 0.000 0.421 185 Q N 5.317 125.114 119.800 -0.004 0.000 2.337 185 Q HA 0.587 4.925 4.340 -0.003 0.000 0.270 185 Q C -1.596 174.401 176.000 -0.005 0.000 1.043 185 Q CA -0.621 55.182 55.803 -0.000 0.000 0.794 185 Q CB 2.567 31.314 28.738 0.015 0.000 1.281 185 Q HN 0.605 nan 8.270 nan 0.000 0.446 186 L N 2.555 123.769 121.223 -0.016 0.000 2.305 186 L HA 0.587 4.926 4.340 -0.003 0.000 0.284 186 L C -0.613 176.247 176.870 -0.017 0.000 1.013 186 L CA -0.940 53.881 54.840 -0.032 0.000 0.819 186 L CB 1.473 43.501 42.059 -0.053 0.000 1.227 186 L HN 0.262 nan 8.230 nan 0.000 0.417 187 V N 4.177 124.089 119.914 -0.005 0.000 2.547 187 V HA 0.494 4.613 4.120 -0.003 0.000 0.299 187 V C -0.110 176.001 176.094 0.028 0.000 1.040 187 V CA -0.560 61.759 62.300 0.032 0.000 0.913 187 V CB 2.415 34.286 31.823 0.080 0.000 0.992 187 V HN 0.452 nan 8.190 nan 0.000 0.449 188 V N 4.165 124.118 119.914 0.066 0.000 2.501 188 V HA 0.252 4.371 4.120 -0.003 0.000 0.277 188 V C -0.550 175.675 176.094 0.218 0.000 1.004 188 V CA -1.000 61.356 62.300 0.095 0.000 0.862 188 V CB 1.609 33.462 31.823 0.050 0.000 1.035 188 V HN 1.090 nan 8.190 nan 0.000 0.448 189 D N 2.563 123.059 120.400 0.160 0.000 2.363 189 D HA 0.091 4.730 4.640 -0.003 0.000 0.240 189 D C 0.833 177.194 176.300 0.102 0.000 1.236 189 D CA -0.367 53.713 54.000 0.133 0.000 0.927 189 D CB 1.038 41.873 40.800 0.059 0.000 1.150 189 D HN 0.398 nan 8.370 nan 0.000 0.458 190 E N -1.065 119.044 120.200 -0.153 0.000 2.472 190 E HA -0.042 4.307 4.350 -0.003 0.000 0.200 190 E C 1.336 177.852 176.600 -0.141 0.000 1.046 190 E CA 0.834 56.996 56.400 -0.396 0.000 0.871 190 E CB -0.244 29.137 29.700 -0.532 0.000 0.806 190 E HN 0.506 nan 8.360 nan 0.000 0.533 191 T N -0.632 113.896 114.554 -0.044 0.000 3.088 191 T HA 0.002 4.351 4.350 -0.003 0.000 0.259 191 T C 0.898 175.616 174.700 0.030 0.000 1.122 191 T CA 0.315 62.410 62.100 -0.009 0.000 1.095 191 T CB 0.105 68.975 68.868 0.002 0.000 0.930 191 T HN 0.060 nan 8.240 nan 0.000 0.508 192 S N 0.978 116.717 115.700 0.066 0.000 2.545 192 S HA 0.117 4.586 4.470 -0.003 0.000 0.275 192 S C 1.134 175.799 174.600 0.109 0.000 1.299 192 S CA -0.547 57.708 58.200 0.092 0.000 1.048 192 S CB 0.888 64.156 63.200 0.113 0.000 0.938 192 S HN 0.321 nan 8.310 nan 0.000 0.496 193 E N 2.532 122.787 120.200 0.091 0.000 2.338 193 E HA -0.047 4.302 4.350 -0.003 0.000 0.197 193 E C 0.862 177.528 176.600 0.109 0.000 1.007 193 E CA 0.690 57.146 56.400 0.092 0.000 0.849 193 E CB 0.076 29.824 29.700 0.081 0.000 0.774 193 E HN 0.561 nan 8.360 nan 0.000 0.506 194 S N -0.035 115.733 115.700 0.114 0.000 2.597 194 S HA 0.029 4.497 4.470 -0.003 0.000 0.224 194 S C 0.918 175.570 174.600 0.086 0.000 0.955 194 S CA -0.433 57.824 58.200 0.094 0.000 0.933 194 S CB -0.055 63.194 63.200 0.081 0.000 0.788 194 S HN 0.358 nan 8.310 nan 0.000 0.488 195 Y N 3.368 123.680 120.300 0.020 0.000 2.030 195 Y HA -0.312 4.237 4.550 -0.003 0.000 0.274 195 Y C 1.850 177.754 175.900 0.007 0.000 1.153 195 Y CA 2.124 60.232 58.100 0.012 0.000 1.115 195 Y CB -0.224 38.243 38.460 0.012 0.000 0.969 195 Y HN 0.217 nan 8.280 nan 0.000 0.488 196 D N 0.155 120.530 120.400 -0.042 0.000 2.104 196 D HA -0.219 4.420 4.640 -0.003 0.000 0.194 196 D C 2.268 178.476 176.300 -0.153 0.000 0.994 196 D CA 1.570 55.491 54.000 -0.132 0.000 0.830 196 D CB -0.685 40.137 40.800 0.036 0.000 0.959 196 D HN 0.524 nan 8.370 nan 0.000 0.452 197 A N 0.736 123.507 122.820 -0.081 0.000 1.972 197 A HA -0.147 4.172 4.320 -0.003 0.000 0.219 197 A C 2.484 180.009 177.584 -0.098 0.000 1.169 197 A CA 1.717 53.711 52.037 -0.072 0.000 0.635 197 A CB -0.407 18.571 19.000 -0.036 0.000 0.810 197 A HN 0.139 nan 8.150 nan 0.000 0.446 198 S N -0.596 115.026 115.700 -0.129 0.000 2.371 198 S HA -0.092 4.376 4.470 -0.003 0.000 0.224 198 S C 1.854 176.349 174.600 -0.175 0.000 1.029 198 S CA 1.253 59.372 58.200 -0.135 0.000 0.978 198 S CB -0.365 62.763 63.200 -0.121 0.000 0.833 198 S HN 0.338 nan 8.310 nan 0.000 0.466 199 V N 2.171 121.913 119.914 -0.286 0.000 2.490 199 V HA -0.172 3.947 4.120 -0.003 0.000 0.250 199 V C 2.202 178.208 176.094 -0.146 0.000 1.061 199 V CA 1.516 63.667 62.300 -0.249 0.000 1.064 199 V CB -0.545 31.064 31.823 -0.356 0.000 0.670 199 V HN 0.425 nan 8.190 nan 0.000 0.461 200 K N 0.202 120.525 120.400 -0.128 0.000 2.209 200 K HA -0.101 4.217 4.320 -0.003 0.000 0.204 200 K C 1.637 178.201 176.600 -0.060 0.000 1.048 200 K CA 1.658 57.897 56.287 -0.080 0.000 0.940 200 K CB -0.150 32.309 32.500 -0.068 0.000 0.729 200 K HN 0.610 nan 8.250 nan 0.000 0.451 201 V N -3.714 116.161 119.914 -0.065 0.000 3.514 201 V HA 0.401 4.519 4.120 -0.003 0.000 0.301 201 V C 0.788 176.854 176.094 -0.047 0.000 1.346 201 V CA 0.355 62.627 62.300 -0.046 0.000 1.156 201 V CB 0.125 31.924 31.823 -0.040 0.000 1.029 201 V HN 0.358 nan 8.190 nan 0.000 0.428 202 G N -0.537 108.229 108.800 -0.057 0.000 2.192 202 G HA2 0.036 3.994 3.960 -0.003 0.000 0.193 202 G HA3 0.036 3.994 3.960 -0.003 0.000 0.193 202 G C 0.361 175.228 174.900 -0.055 0.000 0.999 202 G CA 0.004 45.075 45.100 -0.050 0.000 0.659 202 G HN 1.440 nan 8.290 nan 0.000 0.503 203 A N 0.101 122.876 122.820 -0.075 0.000 2.386 203 A HA 0.751 5.069 4.320 -0.003 0.000 0.248 203 A C 0.809 178.358 177.584 -0.059 0.000 1.082 203 A CA 0.386 52.382 52.037 -0.069 0.000 0.789 203 A CB 0.737 19.684 19.000 -0.089 0.000 1.025 203 A HN 1.822 nan 8.150 nan 0.000 0.490 204 V N 0.500 120.401 119.914 -0.021 0.000 2.472 204 V HA 0.750 4.868 4.120 -0.003 0.000 0.290 204 V C 0.646 176.771 176.094 0.050 0.000 1.037 204 V CA -0.213 62.091 62.300 0.006 0.000 0.908 204 V CB 0.682 32.517 31.823 0.019 0.000 0.985 204 V HN 1.303 nan 8.190 nan 0.000 0.454 205 G N 2.638 111.496 108.800 0.096 0.000 2.380 205 G HA2 0.136 4.095 3.960 -0.003 0.000 0.242 205 G HA3 0.136 4.095 3.960 -0.003 0.000 0.242 205 G C 0.511 175.505 174.900 0.156 0.000 1.298 205 G CA 0.081 45.331 45.100 0.251 0.000 0.878 205 G HN 1.161 nan 8.290 nan 0.000 0.542 206 K N 2.065 122.557 120.400 0.153 0.000 2.362 206 K HA -0.211 4.108 4.320 -0.003 0.000 0.202 206 K C 2.517 179.154 176.600 0.060 0.000 1.045 206 K CA 1.836 58.177 56.287 0.091 0.000 0.936 206 K CB -0.336 32.210 32.500 0.076 0.000 0.747 206 K HN 0.681 nan 8.250 nan 0.000 0.467 207 N N 2.158 120.897 118.700 0.065 0.000 2.006 207 N HA -0.183 4.556 4.740 -0.003 0.000 0.196 207 N C 1.338 176.869 175.510 0.036 0.000 1.057 207 N CA 1.753 54.826 53.050 0.039 0.000 0.853 207 N CB -0.660 37.853 38.487 0.043 0.000 1.051 207 N HN 0.508 nan 8.380 nan 0.000 0.423 208 E N 0.603 120.831 120.200 0.046 0.000 2.320 208 E HA 0.139 4.487 4.350 -0.003 0.000 0.189 208 E C 0.080 176.698 176.600 0.029 0.000 1.100 208 E CA -0.507 55.913 56.400 0.032 0.000 1.009 208 E CB -0.990 28.729 29.700 0.031 0.000 1.145 208 E HN 0.579 nan 8.360 nan 0.000 0.454 209 L N 1.161 122.404 121.223 0.034 0.000 2.456 209 L HA 0.077 4.415 4.340 -0.003 0.000 0.272 209 L C -0.593 176.290 176.870 0.021 0.000 1.189 209 L CA -0.206 54.655 54.840 0.034 0.000 0.846 209 L CB 1.123 43.211 42.059 0.047 0.000 1.111 209 L HN -0.094 nan 8.230 nan 0.000 0.475 210 V N 5.998 125.924 119.914 0.019 0.000 2.417 210 V HA 0.579 4.698 4.120 -0.003 0.000 0.291 210 V C -0.119 175.981 176.094 0.011 0.000 1.024 210 V CA -0.451 61.855 62.300 0.010 0.000 0.861 210 V CB 1.120 32.946 31.823 0.005 0.000 0.985 210 V HN 0.950 nan 8.190 nan 0.000 0.436 211 Q N 3.307 123.109 119.800 0.003 0.000 2.590 211 Q HA 0.627 4.965 4.340 -0.003 0.000 0.295 211 Q C -2.159 173.835 176.000 -0.009 0.000 0.973 211 Q CA -0.709 55.095 55.803 0.002 0.000 0.768 211 Q CB 3.266 32.008 28.738 0.006 0.000 1.479 211 Q HN 1.006 nan 8.270 nan 0.000 0.419 212 D N -0.641 119.753 120.400 -0.011 0.000 2.609 212 D HA 0.477 5.115 4.640 -0.003 0.000 0.239 212 D C -0.213 176.077 176.300 -0.018 0.000 1.229 212 D CA -0.322 53.668 54.000 -0.017 0.000 0.808 212 D CB 0.978 41.766 40.800 -0.019 0.000 1.448 212 D HN 0.566 nan 8.370 nan 0.000 0.433 213 A N 0.437 123.244 122.820 -0.021 0.000 2.245 213 A HA -0.149 4.170 4.320 -0.003 0.000 0.217 213 A C 1.509 179.081 177.584 -0.020 0.000 1.171 213 A CA 1.915 53.940 52.037 -0.020 0.000 0.688 213 A CB -0.753 18.235 19.000 -0.020 0.000 0.781 213 A HN 0.672 nan 8.150 nan 0.000 0.479 214 D N -1.017 119.369 120.400 -0.024 0.000 2.366 214 D HA 0.083 4.721 4.640 -0.003 0.000 0.205 214 D C 0.536 176.815 176.300 -0.035 0.000 1.022 214 D CA 0.390 54.369 54.000 -0.035 0.000 0.868 214 D CB 0.082 40.854 40.800 -0.046 0.000 0.953 214 D HN 0.291 nan 8.370 nan 0.000 0.514 215 S N -0.097 115.592 115.700 -0.018 0.000 2.579 215 S HA 0.212 4.681 4.470 -0.003 0.000 0.275 215 S C 0.471 175.083 174.600 0.021 0.000 1.345 215 S CA -0.253 57.944 58.200 -0.004 0.000 1.031 215 S CB 0.955 64.168 63.200 0.022 0.000 0.892 215 S HN 0.148 nan 8.310 nan 0.000 0.529 216 I N 1.960 122.542 120.570 0.021 0.000 2.392 216 I HA 0.363 4.531 4.170 -0.003 0.000 0.295 216 I C -0.746 175.448 176.117 0.128 0.000 0.985 216 I CA -0.569 60.758 61.300 0.045 0.000 1.221 216 I CB 1.036 39.023 38.000 -0.022 0.000 1.366 216 I HN 0.631 nan 8.210 nan 0.000 0.467 217 Y N 7.179 127.504 120.300 0.041 0.000 2.425 217 Y HA 0.483 5.032 4.550 -0.003 0.000 0.344 217 Y C -1.757 174.242 175.900 0.164 0.000 0.969 217 Y CA -0.902 57.243 58.100 0.075 0.000 1.052 217 Y CB 1.579 40.068 38.460 0.048 0.000 1.215 217 Y HN 0.494 nan 8.280 nan 0.000 0.451 218 Y N 6.741 126.675 120.300 -0.609 0.000 2.361 218 Y HA 0.491 5.039 4.550 -0.003 0.000 0.328 218 Y C -1.317 174.235 175.900 -0.580 0.000 1.044 218 Y CA -1.241 56.615 58.100 -0.406 0.000 1.085 218 Y CB 0.902 39.260 38.460 -0.169 0.000 1.194 218 Y HN 0.744 nan 8.280 nan 0.000 0.438 219 R N 5.652 125.773 120.500 -0.631 0.000 2.196 219 R HA 0.399 4.737 4.340 -0.003 0.000 0.340 219 R C -1.859 173.988 176.300 -0.755 0.000 1.043 219 R CA -0.310 55.466 56.100 -0.541 0.000 0.883 219 R CB 0.253 30.477 30.300 -0.126 0.000 1.078 219 R HN 0.688 nan 8.270 nan 0.000 0.462 220 L N 7.706 128.489 121.223 -0.732 0.000 2.416 220 L HA 0.341 4.679 4.340 -0.003 0.000 0.272 220 L C -1.696 175.033 176.870 -0.234 0.000 1.161 220 L CA -1.136 53.335 54.840 -0.615 0.000 0.845 220 L CB 0.511 42.360 42.059 -0.351 0.000 1.119 220 L HN 0.680 nan 8.230 nan 0.000 0.464 221 P HA 0.060 nan 4.420 nan 0.000 0.276 221 P C -0.795 176.552 177.300 0.078 0.000 1.244 221 P CA -0.519 62.584 63.100 0.006 0.000 0.801 221 P CB 0.714 32.441 31.700 0.046 0.000 1.006 222 D N 0.855 121.310 120.400 0.091 0.000 2.801 222 D HA 0.134 4.773 4.640 -0.003 0.000 0.232 222 D C -0.239 176.139 176.300 0.130 0.000 1.128 222 D CA 0.099 54.184 54.000 0.140 0.000 1.003 222 D CB -0.829 40.039 40.800 0.114 0.000 1.110 222 D HN 0.315 nan 8.370 nan 0.000 0.477 223 T N -2.921 111.714 114.554 0.135 0.000 2.864 223 T HA 0.288 4.636 4.350 -0.003 0.000 0.299 223 T C 1.040 175.736 174.700 -0.007 0.000 1.166 223 T CA -1.040 61.101 62.100 0.068 0.000 1.007 223 T CB 1.783 70.693 68.868 0.070 0.000 1.219 223 T HN 0.104 nan 8.240 nan 0.000 0.506 224 R N 0.461 120.893 120.500 -0.113 0.000 2.091 224 R HA -0.142 4.196 4.340 -0.003 0.000 0.238 224 R C 1.531 177.773 176.300 -0.096 0.000 1.136 224 R CA 2.110 58.073 56.100 -0.228 0.000 0.959 224 R CB -0.431 29.762 30.300 -0.177 0.000 0.856 224 R HN 0.739 nan 8.270 nan 0.000 0.437 225 E N -0.150 120.037 120.200 -0.021 0.000 2.110 225 E HA -0.089 4.259 4.350 -0.003 0.000 0.193 225 E C 1.857 178.522 176.600 0.109 0.000 0.988 225 E CA 1.428 57.837 56.400 0.016 0.000 0.804 225 E CB -0.523 29.183 29.700 0.009 0.000 0.745 225 E HN 0.613 nan 8.360 nan 0.000 0.458 226 G N -0.012 108.890 108.800 0.170 0.000 2.421 226 G HA2 -0.251 3.707 3.960 -0.003 0.000 0.216 226 G HA3 -0.251 3.707 3.960 -0.003 0.000 0.216 226 G C 0.956 176.049 174.900 0.322 0.000 1.171 226 G CA 0.809 46.061 45.100 0.254 0.000 0.775 226 G HN 0.217 nan 8.290 nan 0.000 0.543 227 W N 0.555 121.843 121.300 -0.019 0.000 2.355 227 W HA -0.015 4.644 4.660 -0.003 0.000 0.309 227 W C 2.771 179.264 176.519 -0.043 0.000 1.206 227 W CA 0.857 58.186 57.345 -0.026 0.000 1.284 227 W CB -1.105 28.257 29.460 -0.163 0.000 1.145 227 W HN 0.042 nan 8.180 nan 0.000 0.502 228 V N 0.466 120.367 119.914 -0.021 0.000 2.295 228 V HA -0.297 3.821 4.120 -0.003 0.000 0.246 228 V C 2.222 178.467 176.094 0.253 0.000 1.049 228 V CA 1.688 63.986 62.300 -0.004 0.000 1.024 228 V CB -1.068 30.727 31.823 -0.047 0.000 0.648 228 V HN 0.131 nan 8.190 nan 0.000 0.447 229 L N -0.134 121.217 121.223 0.213 0.000 2.141 229 L HA -0.125 4.214 4.340 -0.003 0.000 0.209 229 L C 2.699 179.707 176.870 0.229 0.000 1.094 229 L CA 1.298 56.245 54.840 0.177 0.000 0.763 229 L CB -0.762 41.360 42.059 0.105 0.000 0.908 229 L HN 0.362 nan 8.230 nan 0.000 0.437 230 A N 0.656 123.694 122.820 0.364 0.000 1.858 230 A HA -0.287 4.032 4.320 -0.003 0.000 0.216 230 A C 2.063 179.794 177.584 0.245 0.000 1.190 230 A CA 2.329 54.575 52.037 0.348 0.000 0.617 230 A CB -0.788 18.364 19.000 0.253 0.000 0.827 230 A HN 0.490 nan 8.150 nan 0.000 0.443 231 N N -0.006 118.871 118.700 0.295 0.000 2.120 231 N HA -0.055 4.683 4.740 -0.003 0.000 0.188 231 N C 1.727 177.379 175.510 0.238 0.000 1.024 231 N CA 1.913 55.113 53.050 0.249 0.000 0.852 231 N CB -0.352 38.348 38.487 0.354 0.000 1.003 231 N HN 0.355 nan 8.380 nan 0.000 0.424 232 A N 0.430 123.432 122.820 0.304 0.000 1.883 232 A HA -0.111 4.208 4.320 -0.003 0.000 0.217 232 A C 2.151 179.925 177.584 0.316 0.000 1.186 232 A CA 1.469 53.706 52.037 0.333 0.000 0.624 232 A CB -1.021 18.190 19.000 0.351 0.000 0.822 232 A HN 0.422 nan 8.150 nan 0.000 0.444 233 L N -0.650 120.726 121.223 0.256 0.000 2.017 233 L HA -0.125 4.213 4.340 -0.003 0.000 0.208 233 L C 2.250 179.173 176.870 0.087 0.000 1.073 233 L CA 2.209 57.136 54.840 0.145 0.000 0.745 233 L CB -0.715 41.373 42.059 0.048 0.000 0.894 233 L HN 0.368 nan 8.230 nan 0.000 0.432 234 L N -0.387 120.912 121.223 0.126 0.000 2.012 234 L HA -0.213 4.126 4.340 -0.003 0.000 0.210 234 L C 2.374 179.392 176.870 0.247 0.000 1.073 234 L CA 2.024 56.948 54.840 0.140 0.000 0.748 234 L CB -0.621 41.506 42.059 0.112 0.000 0.891 234 L HN 0.331 nan 8.230 nan 0.000 0.431 235 I N -0.248 120.445 120.570 0.205 0.000 2.142 235 I HA -0.287 3.881 4.170 -0.003 0.000 0.240 235 I C 1.972 178.357 176.117 0.445 0.000 1.078 235 I CA 1.595 63.038 61.300 0.238 0.000 1.343 235 I CB -0.608 37.468 38.000 0.127 0.000 1.046 235 I HN 0.298 nan 8.210 nan 0.000 0.405 236 D N 0.708 121.323 120.400 0.358 0.000 2.264 236 D HA -0.099 4.540 4.640 -0.003 0.000 0.208 236 D C 2.227 178.708 176.300 0.301 0.000 0.966 236 D CA 0.982 55.209 54.000 0.378 0.000 0.864 236 D CB -0.112 40.882 40.800 0.324 0.000 0.933 236 D HN 0.350 nan 8.370 nan 0.000 0.499 237 L N 0.027 121.340 121.223 0.150 0.000 2.376 237 L HA -0.120 4.219 4.340 -0.003 0.000 0.219 237 L C 1.568 178.478 176.870 0.066 0.000 1.133 237 L CA 0.737 55.582 54.840 0.009 0.000 0.816 237 L CB -0.267 41.714 42.059 -0.129 0.000 0.933 237 L HN 0.059 nan 8.230 nan 0.000 0.449 238 H N -1.562 117.547 119.070 0.066 0.000 2.555 238 H HA 0.097 4.651 4.556 -0.003 0.000 0.269 238 H C -0.552 174.475 175.328 -0.501 0.000 0.988 238 H CA 0.372 56.295 56.048 -0.209 0.000 1.178 238 H CB -0.026 29.436 29.762 -0.500 0.000 1.373 238 H HN 0.060 nan 8.280 nan 0.000 0.588 239 F N -1.390 118.708 119.950 0.248 0.000 2.507 239 F HA 0.453 4.978 4.527 -0.003 0.000 0.325 239 F C 1.078 176.989 175.800 0.186 0.000 1.116 239 F CA -0.835 57.245 58.000 0.133 0.000 0.930 239 F CB 1.542 40.609 39.000 0.111 0.000 1.146 239 F HN -0.086 nan 8.300 nan 0.000 0.447 240 A N 2.036 124.997 122.820 0.235 0.000 1.972 240 A HA -0.195 4.123 4.320 -0.003 0.000 0.219 240 A C 2.095 179.818 177.584 0.230 0.000 1.169 240 A CA 1.790 53.996 52.037 0.282 0.000 0.635 240 A CB -0.776 18.290 19.000 0.109 0.000 0.810 240 A HN 0.898 nan 8.150 nan 0.000 0.446 241 Q N -0.395 119.530 119.800 0.208 0.000 2.291 241 Q HA -0.119 4.220 4.340 -0.003 0.000 0.206 241 Q C 1.047 177.150 176.000 0.171 0.000 0.976 241 Q CA 1.696 57.594 55.803 0.160 0.000 0.875 241 Q CB -0.703 28.113 28.738 0.129 0.000 0.927 241 Q HN 0.578 nan 8.270 nan 0.000 0.450 242 T N -2.739 111.944 114.554 0.215 0.000 3.228 242 T HA 0.253 4.602 4.350 -0.003 0.000 0.278 242 T C -0.018 174.751 174.700 0.114 0.000 1.014 242 T CA -0.440 61.780 62.100 0.200 0.000 0.904 242 T CB 0.188 69.213 68.868 0.262 0.000 1.110 242 T HN 0.140 nan 8.240 nan 0.000 0.541 243 N N 1.702 120.483 118.700 0.135 0.000 2.666 243 N HA 0.262 5.001 4.740 -0.003 0.000 0.253 243 N C -2.093 173.459 175.510 0.071 0.000 1.621 243 N CA -1.802 51.281 53.050 0.054 0.000 0.785 243 N CB 1.419 39.947 38.487 0.069 0.000 1.332 243 N HN 0.001 nan 8.380 nan 0.000 0.514 244 P HA -0.104 nan 4.420 nan 0.000 0.216 244 P C 0.200 177.510 177.300 0.017 0.000 1.153 244 P CA 1.262 64.396 63.100 0.058 0.000 0.858 244 P CB 0.418 32.148 31.700 0.050 0.000 0.789 245 D N -0.123 120.259 120.400 -0.030 0.000 2.363 245 D HA -0.027 4.611 4.640 -0.003 0.000 0.226 245 D C 0.510 176.728 176.300 -0.136 0.000 1.020 245 D CA 0.219 54.181 54.000 -0.063 0.000 0.892 245 D CB -0.346 40.416 40.800 -0.063 0.000 0.900 245 D HN 0.280 nan 8.370 nan 0.000 0.531 246 R N 0.511 120.885 120.500 -0.209 0.000 3.416 246 R HA -0.199 4.139 4.340 -0.003 0.000 0.263 246 R C -0.356 175.608 176.300 -0.559 0.000 1.053 246 R CA 0.585 56.363 56.100 -0.537 0.000 0.705 246 R CB -2.536 27.546 30.300 -0.363 0.000 1.124 246 R HN 0.235 nan 8.270 nan 0.000 0.444 247 K N 1.417 121.578 120.400 -0.398 0.000 2.339 247 K HA 0.076 4.395 4.320 -0.003 0.000 0.286 247 K C 0.885 177.268 176.600 -0.362 0.000 1.050 247 K CA 0.078 56.184 56.287 -0.302 0.000 0.956 247 K CB 0.704 33.088 32.500 -0.194 0.000 0.990 247 K HN 0.272 nan 8.250 nan 0.000 0.475 248 Q N 1.831 121.453 119.800 -0.297 0.000 2.179 248 Q HA 0.088 4.426 4.340 -0.003 0.000 0.213 248 Q C -0.619 175.280 176.000 -0.168 0.000 0.833 248 Q CA 0.133 55.779 55.803 -0.262 0.000 0.990 248 Q CB 0.766 29.363 28.738 -0.235 0.000 1.132 248 Q HN 0.304 nan 8.270 nan 0.000 0.493 249 K N 1.311 121.632 120.400 -0.132 0.000 2.376 249 K HA 0.456 4.775 4.320 -0.003 0.000 0.257 249 K C -1.503 175.060 176.600 -0.062 0.000 0.939 249 K CA -0.746 55.493 56.287 -0.081 0.000 0.809 249 K CB 2.052 34.519 32.500 -0.055 0.000 1.121 249 K HN -0.094 nan 8.250 nan 0.000 0.425 250 L N 4.347 125.543 121.223 -0.045 0.000 2.386 250 L HA 0.576 4.915 4.340 -0.003 0.000 0.271 250 L C -1.490 175.385 176.870 0.008 0.000 0.993 250 L CA -0.482 54.345 54.840 -0.021 0.000 0.819 250 L CB 1.483 43.520 42.059 -0.037 0.000 1.294 250 L HN 0.595 nan 8.230 nan 0.000 0.414 251 I N 6.000 126.592 120.570 0.036 0.000 2.418 251 I HA 0.388 4.557 4.170 -0.003 0.000 0.287 251 I C -1.018 175.069 176.117 -0.050 0.000 1.008 251 I CA -0.469 60.858 61.300 0.045 0.000 1.104 251 I CB 1.708 39.813 38.000 0.174 0.000 1.264 251 I HN 0.445 nan 8.210 nan 0.000 0.438 252 L N 5.670 126.851 121.223 -0.069 0.000 2.298 252 L HA 0.421 4.760 4.340 -0.003 0.000 0.284 252 L C -0.565 176.201 176.870 -0.172 0.000 1.013 252 L CA -0.481 54.281 54.840 -0.131 0.000 0.824 252 L CB 1.485 43.511 42.059 -0.055 0.000 1.221 252 L HN 0.511 nan 8.230 nan 0.000 0.418 253 D N 4.721 124.939 120.400 -0.304 0.000 2.373 253 D HA 0.244 4.883 4.640 -0.003 0.000 0.227 253 D C 0.278 176.468 176.300 -0.182 0.000 1.091 253 D CA -0.272 53.616 54.000 -0.187 0.000 0.840 253 D CB 1.435 42.135 40.800 -0.167 0.000 1.060 253 D HN 0.419 nan 8.370 nan 0.000 0.502 254 L N 2.736 123.889 121.223 -0.116 0.000 2.791 254 L HA 0.123 4.461 4.340 -0.003 0.000 0.239 254 L C 1.714 178.559 176.870 -0.042 0.000 1.203 254 L CA -0.227 54.545 54.840 -0.113 0.000 1.002 254 L CB -0.016 41.961 42.059 -0.137 0.000 1.295 254 L HN 0.191 nan 8.230 nan 0.000 0.504 255 S N 0.337 116.029 115.700 -0.013 0.000 2.442 255 S HA -0.135 4.333 4.470 -0.003 0.000 0.236 255 S C 1.128 175.748 174.600 0.033 0.000 1.007 255 S CA 1.253 59.472 58.200 0.030 0.000 0.965 255 S CB -0.042 63.186 63.200 0.048 0.000 0.773 255 S HN 0.487 nan 8.310 nan 0.000 0.504 256 D N 0.561 120.971 120.400 0.016 0.000 2.348 256 D HA 0.125 4.764 4.640 -0.003 0.000 0.211 256 D C 0.180 176.519 176.300 0.065 0.000 0.998 256 D CA 0.087 54.107 54.000 0.034 0.000 0.873 256 D CB -0.008 40.803 40.800 0.017 0.000 0.925 256 D HN 0.242 nan 8.370 nan 0.000 0.524 257 I N 2.897 123.512 120.570 0.075 0.000 2.598 257 I HA -0.016 4.152 4.170 -0.003 0.000 0.284 257 I C 1.237 177.440 176.117 0.143 0.000 1.140 257 I CA -0.242 61.147 61.300 0.148 0.000 1.420 257 I CB -0.186 37.905 38.000 0.151 0.000 1.387 257 I HN 0.041 nan 8.210 nan 0.000 0.553 258 R N 8.445 129.040 120.500 0.158 0.000 2.734 258 R HA 0.290 4.628 4.340 -0.003 0.000 0.266 258 R C -2.520 173.861 176.300 0.135 0.000 1.044 258 R CA -1.043 55.132 56.100 0.124 0.000 1.128 258 R CB -0.335 30.028 30.300 0.105 0.000 1.010 258 R HN 0.369 nan 8.270 nan 0.000 0.461 259 P HA -0.061 nan 4.420 nan 0.000 0.276 259 P C -0.977 176.406 177.300 0.138 0.000 1.261 259 P CA -0.434 62.746 63.100 0.133 0.000 0.800 259 P CB 0.364 32.133 31.700 0.116 0.000 1.066 260 Y N 0.564 120.899 120.300 0.059 0.000 2.717 260 Y HA 0.227 4.776 4.550 -0.003 0.000 0.330 260 Y C 1.649 177.568 175.900 0.031 0.000 1.217 260 Y CA 2.102 60.229 58.100 0.045 0.000 1.506 260 Y CB -0.407 38.074 38.460 0.036 0.000 1.268 260 Y HN 0.849 nan 8.280 nan 0.000 0.561 261 G N 2.890 111.299 108.800 -0.652 0.000 2.195 261 G HA2 -0.238 3.720 3.960 -0.003 0.000 0.246 261 G HA3 -0.238 3.720 3.960 -0.003 0.000 0.246 261 G C 0.293 175.081 174.900 -0.187 0.000 0.984 261 G CA -0.026 44.809 45.100 -0.442 0.000 0.633 261 G HN 1.273 nan 8.290 nan 0.000 0.525 262 A N 0.187 122.943 122.820 -0.108 0.000 2.346 262 A HA 0.719 5.038 4.320 -0.003 0.000 0.252 262 A C 0.719 178.277 177.584 -0.044 0.000 1.089 262 A CA 1.403 53.417 52.037 -0.038 0.000 0.797 262 A CB 0.027 19.034 19.000 0.012 0.000 1.047 262 A HN 1.956 nan 8.150 nan 0.000 0.494 263 E N 0.016 120.215 120.200 -0.002 0.000 2.373 263 E HA 0.518 4.866 4.350 -0.003 0.000 0.263 263 E C -0.142 176.495 176.600 0.063 0.000 1.073 263 E CA 0.197 56.609 56.400 0.021 0.000 0.894 263 E CB 0.229 29.956 29.700 0.045 0.000 1.008 263 E HN 1.173 nan 8.360 nan 0.000 0.420 264 I N -1.131 119.478 120.570 0.066 0.000 2.545 264 I HA 0.555 4.724 4.170 -0.003 0.000 0.292 264 I C -0.025 176.177 176.117 0.142 0.000 1.040 264 I CA -1.323 60.008 61.300 0.053 0.000 1.068 264 I CB 2.056 40.031 38.000 -0.041 0.000 1.251 264 I HN 0.709 nan 8.210 nan 0.000 0.424 265 H N 3.177 122.331 119.070 0.140 0.000 2.505 265 H HA 0.465 5.020 4.556 -0.003 0.000 0.355 265 H C 0.953 176.227 175.328 -0.089 0.000 1.179 265 H CA -0.685 55.425 56.048 0.104 0.000 1.343 265 H CB 1.051 30.945 29.762 0.220 0.000 1.501 265 H HN 1.102 nan 8.280 nan 0.000 0.569 266 G N 0.370 108.818 108.800 -0.586 0.000 2.153 266 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.252 266 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.252 266 G C -0.602 173.743 174.900 -0.925 0.000 0.994 266 G CA 0.447 44.654 45.100 -1.488 0.000 0.698 266 G HN 0.556 nan 8.290 nan 0.000 0.521 267 F N -2.304 117.642 119.950 -0.008 0.000 2.665 267 F HA 0.563 5.089 4.527 -0.003 0.000 0.308 267 F C 1.123 176.946 175.800 0.039 0.000 1.112 267 F CA -0.165 57.818 58.000 -0.029 0.000 0.972 267 F CB 0.830 39.752 39.000 -0.130 0.000 1.295 267 F HN 0.053 nan 8.300 nan 0.000 0.440 268 G N 0.651 109.494 108.800 0.072 0.000 2.494 268 G HA2 0.281 4.239 3.960 -0.003 0.000 0.216 268 G HA3 0.281 4.239 3.960 -0.003 0.000 0.216 268 G C 0.916 175.816 174.900 -0.000 0.000 1.140 268 G CA 0.501 45.635 45.100 0.057 0.000 0.801 268 G HN 0.938 nan 8.290 nan 0.000 0.536 269 G N -0.127 108.650 108.800 -0.038 0.000 2.447 269 G HA2 0.408 4.367 3.960 -0.003 0.000 0.269 269 G HA3 0.408 4.367 3.960 -0.003 0.000 0.269 269 G C 0.266 175.112 174.900 -0.090 0.000 1.455 269 G CA 0.824 45.870 45.100 -0.090 0.000 1.061 269 G HN 0.646 nan 8.290 nan 0.000 0.545 270 T N -3.698 110.765 114.554 -0.153 0.000 2.887 270 T HA 0.706 5.055 4.350 -0.003 0.000 0.292 270 T C 0.058 174.629 174.700 -0.214 0.000 1.087 270 T CA -0.053 61.938 62.100 -0.181 0.000 1.009 270 T CB 1.492 70.208 68.868 -0.253 0.000 1.203 270 T HN 1.166 nan 8.240 nan 0.000 0.518 271 A N 0.858 123.567 122.820 -0.186 0.000 2.406 271 A HA 0.524 4.843 4.320 -0.003 0.000 0.243 271 A C 1.449 178.966 177.584 -0.111 0.000 1.082 271 A CA 0.006 51.967 52.037 -0.126 0.000 0.786 271 A CB -0.040 18.935 19.000 -0.041 0.000 1.029 271 A HN 1.362 nan 8.150 nan 0.000 0.495 272 S N 0.549 116.290 115.700 0.067 0.000 2.503 272 S HA 0.464 4.933 4.470 -0.003 0.000 0.217 272 S C 1.043 175.850 174.600 0.347 0.000 0.999 272 S CA 0.727 59.081 58.200 0.257 0.000 0.914 272 S CB -0.762 62.592 63.200 0.255 0.000 0.782 272 S HN 2.701 nan 8.310 nan 0.000 0.520 273 G N 2.276 111.249 108.800 0.288 0.000 2.746 273 G HA2 -0.093 3.865 3.960 -0.003 0.000 0.685 273 G HA3 -0.093 3.865 3.960 -0.003 0.000 0.685 273 G C -2.114 172.940 174.900 0.258 0.000 1.350 273 G CA -0.355 44.901 45.100 0.259 0.000 0.837 273 G HN 0.159 nan 8.290 nan 0.000 0.564 274 P HA -0.063 nan 4.420 nan 0.000 0.226 274 P C 2.004 179.263 177.300 -0.069 0.000 1.153 274 P CA 1.426 64.514 63.100 -0.020 0.000 0.777 274 P CB 0.011 31.683 31.700 -0.046 0.000 0.794 275 M N 1.218 120.821 119.600 0.005 0.000 2.088 275 M HA -0.122 4.357 4.480 -0.003 0.000 0.256 275 M C -0.446 175.842 176.300 -0.021 0.000 1.071 275 M CA 2.885 58.176 55.300 -0.015 0.000 1.097 275 M CB -2.719 29.883 32.600 0.002 0.000 1.315 275 M HN 0.065 nan 8.290 nan 0.000 0.406 276 P HA -0.111 nan 4.420 nan 0.000 0.221 276 P C 1.733 179.010 177.300 -0.038 0.000 1.150 276 P CA 1.076 64.196 63.100 0.034 0.000 0.800 276 P CB -0.117 31.662 31.700 0.130 0.000 0.787 277 L N -0.377 120.744 121.223 -0.170 0.000 2.109 277 L HA -0.042 4.297 4.340 -0.003 0.000 0.207 277 L C 2.451 179.195 176.870 -0.210 0.000 1.086 277 L CA 1.426 56.071 54.840 -0.324 0.000 0.760 277 L CB -1.168 40.373 42.059 -0.864 0.000 0.910 277 L HN -0.213 nan 8.230 nan 0.000 0.437 278 I N -1.120 119.348 120.570 -0.170 0.000 2.142 278 I HA -0.301 3.868 4.170 -0.003 0.000 0.240 278 I C 2.385 178.453 176.117 -0.081 0.000 1.078 278 I CA 1.475 62.705 61.300 -0.117 0.000 1.343 278 I CB -0.490 37.453 38.000 -0.095 0.000 1.046 278 I HN 0.183 nan 8.210 nan 0.000 0.405 279 S N 0.442 116.105 115.700 -0.061 0.000 2.368 279 S HA -0.226 4.243 4.470 -0.003 0.000 0.225 279 S C 2.001 176.572 174.600 -0.048 0.000 1.030 279 S CA 1.570 59.750 58.200 -0.033 0.000 0.999 279 S CB -0.345 62.850 63.200 -0.007 0.000 0.844 279 S HN 0.424 nan 8.310 nan 0.000 0.459 280 M N 0.952 120.507 119.600 -0.075 0.000 2.132 280 M HA -0.062 4.417 4.480 -0.003 0.000 0.263 280 M C 1.765 177.994 176.300 -0.119 0.000 1.065 280 M CA 1.479 56.713 55.300 -0.111 0.000 1.122 280 M CB -0.291 32.227 32.600 -0.137 0.000 1.365 280 M HN 0.277 nan 8.290 nan 0.000 0.411 281 L N 0.149 121.312 121.223 -0.100 0.000 2.056 281 L HA -0.208 4.131 4.340 -0.003 0.000 0.207 281 L C 2.369 179.200 176.870 -0.064 0.000 1.078 281 L CA 0.943 55.736 54.840 -0.078 0.000 0.749 281 L CB -0.620 41.401 42.059 -0.062 0.000 0.901 281 L HN 0.359 nan 8.230 nan 0.000 0.433 282 L N -0.486 120.701 121.223 -0.059 0.000 2.046 282 L HA -0.215 4.124 4.340 -0.003 0.000 0.208 282 L C 2.213 179.048 176.870 -0.059 0.000 1.077 282 L CA 1.105 55.917 54.840 -0.047 0.000 0.747 282 L CB -0.553 41.483 42.059 -0.039 0.000 0.896 282 L HN 0.289 nan 8.230 nan 0.000 0.432 283 D N -0.569 119.786 120.400 -0.074 0.000 2.149 283 D HA -0.122 4.516 4.640 -0.003 0.000 0.201 283 D C 2.347 178.564 176.300 -0.139 0.000 0.972 283 D CA 0.941 54.879 54.000 -0.103 0.000 0.835 283 D CB -0.147 40.595 40.800 -0.096 0.000 0.966 283 D HN 0.087 nan 8.370 nan 0.000 0.476 284 V N 1.441 121.264 119.914 -0.151 0.000 2.407 284 V HA -0.231 3.887 4.120 -0.003 0.000 0.248 284 V C 2.202 178.194 176.094 -0.169 0.000 1.055 284 V CA 1.528 63.715 62.300 -0.188 0.000 1.049 284 V CB -0.525 31.173 31.823 -0.208 0.000 0.662 284 V HN 0.138 nan 8.190 nan 0.000 0.455 285 N N 0.200 118.841 118.700 -0.099 0.000 2.166 285 N HA -0.174 4.565 4.740 -0.003 0.000 0.186 285 N C 1.820 177.309 175.510 -0.036 0.000 1.019 285 N CA 1.551 54.583 53.050 -0.031 0.000 0.856 285 N CB -0.086 38.423 38.487 0.036 0.000 0.993 285 N HN 0.559 nan 8.380 nan 0.000 0.426 286 E N -0.539 119.625 120.200 -0.060 0.000 2.051 286 E HA -0.123 4.225 4.350 -0.003 0.000 0.192 286 E C 1.909 178.467 176.600 -0.070 0.000 0.991 286 E CA 1.253 57.620 56.400 -0.054 0.000 0.799 286 E CB -0.041 29.619 29.700 -0.067 0.000 0.748 286 E HN 0.158 nan 8.360 nan 0.000 0.449 287 V N 1.651 121.503 119.914 -0.104 0.000 2.332 287 V HA -0.271 3.847 4.120 -0.003 0.000 0.248 287 V C 2.329 178.353 176.094 -0.117 0.000 1.055 287 V CA 1.539 63.778 62.300 -0.101 0.000 1.038 287 V CB -0.453 31.297 31.823 -0.122 0.000 0.651 287 V HN 0.251 nan 8.190 nan 0.000 0.450 288 L N -0.245 120.860 121.223 -0.197 0.000 2.044 288 L HA -0.099 4.240 4.340 -0.003 0.000 0.205 288 L C 2.449 179.241 176.870 -0.130 0.000 1.075 288 L CA 1.363 56.032 54.840 -0.284 0.000 0.747 288 L CB -0.722 40.868 42.059 -0.781 0.000 0.903 288 L HN 0.324 nan 8.230 nan 0.000 0.435 289 N N 0.399 119.083 118.700 -0.028 0.000 2.149 289 N HA -0.172 4.567 4.740 -0.003 0.000 0.188 289 N C 1.535 177.047 175.510 0.002 0.000 1.019 289 N CA 1.101 54.182 53.050 0.053 0.000 0.857 289 N CB -0.495 38.032 38.487 0.066 0.000 0.997 289 N HN 0.254 nan 8.380 nan 0.000 0.426 290 N N 0.513 119.201 118.700 -0.020 0.000 2.364 290 N HA -0.082 4.656 4.740 -0.003 0.000 0.183 290 N C 0.661 176.160 175.510 -0.018 0.000 1.022 290 N CA 0.824 53.863 53.050 -0.019 0.000 0.883 290 N CB 0.083 38.557 38.487 -0.022 0.000 0.965 290 N HN 0.161 nan 8.380 nan 0.000 0.438 291 K N 0.234 120.618 120.400 -0.027 0.000 2.399 291 K HA 0.292 4.611 4.320 -0.003 0.000 0.204 291 K C -0.231 176.346 176.600 -0.039 0.000 1.023 291 K CA -0.337 55.935 56.287 -0.025 0.000 1.127 291 K CB 0.335 32.825 32.500 -0.017 0.000 0.856 291 K HN 0.013 nan 8.250 nan 0.000 0.514 292 A N 0.525 123.322 122.820 -0.038 0.000 2.566 292 A HA 0.376 4.694 4.320 -0.003 0.000 0.245 292 A C 1.317 178.865 177.584 -0.059 0.000 1.056 292 A CA 1.279 53.282 52.037 -0.056 0.000 0.757 292 A CB -0.421 18.566 19.000 -0.022 0.000 0.979 292 A HN 0.570 nan 8.150 nan 0.000 0.508 293 G N 1.342 110.089 108.800 -0.089 0.000 2.213 293 G HA2 0.043 4.002 3.960 -0.003 0.000 0.236 293 G HA3 0.043 4.002 3.960 -0.003 0.000 0.236 293 G C 0.896 175.768 174.900 -0.048 0.000 0.991 293 G CA 0.589 45.646 45.100 -0.072 0.000 0.629 293 G HN 2.004 nan 8.290 nan 0.000 0.517 294 G N -0.907 107.870 108.800 -0.037 0.000 3.257 294 G HA2 0.701 4.659 3.960 -0.003 0.000 0.205 294 G HA3 0.701 4.659 3.960 -0.003 0.000 0.205 294 G C -0.595 174.308 174.900 0.004 0.000 1.234 294 G CA -0.719 44.373 45.100 -0.013 0.000 0.918 294 G HN 0.344 nan 8.290 nan 0.000 0.602 295 R N -0.517 119.996 120.500 0.022 0.000 2.778 295 R HA 0.477 4.815 4.340 -0.003 0.000 0.277 295 R C -0.631 175.702 176.300 0.055 0.000 0.977 295 R CA -0.710 55.419 56.100 0.049 0.000 0.950 295 R CB 1.942 32.269 30.300 0.045 0.000 1.165 295 R HN 0.319 nan 8.270 nan 0.000 0.474 296 L N 1.451 122.725 121.223 0.085 0.000 2.395 296 L HA 0.283 4.622 4.340 -0.003 0.000 0.269 296 L C 1.149 178.063 176.870 0.074 0.000 1.133 296 L CA -0.175 54.715 54.840 0.083 0.000 0.812 296 L CB 1.125 43.257 42.059 0.122 0.000 1.125 296 L HN 0.757 nan 8.230 nan 0.000 0.452 297 T N -1.426 113.171 114.554 0.073 0.000 2.922 297 T HA 0.498 4.847 4.350 -0.003 0.000 0.281 297 T C 0.962 175.716 174.700 0.091 0.000 1.005 297 T CA -0.164 61.980 62.100 0.073 0.000 0.982 297 T CB 1.669 70.583 68.868 0.075 0.000 1.158 297 T HN 0.568 nan 8.240 nan 0.000 0.566 298 A N 0.243 123.114 122.820 0.085 0.000 1.933 298 A HA 0.044 4.362 4.320 -0.003 0.000 0.218 298 A C 2.309 180.014 177.584 0.202 0.000 1.175 298 A CA 1.610 53.700 52.037 0.088 0.000 0.628 298 A CB -1.309 17.684 19.000 -0.011 0.000 0.814 298 A HN 0.696 nan 8.150 nan 0.000 0.444 299 V N 0.596 120.640 119.914 0.216 0.000 2.358 299 V HA -0.229 3.889 4.120 -0.003 0.000 0.246 299 V C 2.143 178.341 176.094 0.175 0.000 1.047 299 V CA 2.189 64.624 62.300 0.226 0.000 1.035 299 V CB -0.745 31.174 31.823 0.161 0.000 0.658 299 V HN 0.514 nan 8.190 nan 0.000 0.452 300 D N 0.572 121.049 120.400 0.128 0.000 2.097 300 D HA -0.137 4.502 4.640 -0.003 0.000 0.195 300 D C 2.257 178.620 176.300 0.104 0.000 0.989 300 D CA 1.729 55.782 54.000 0.088 0.000 0.827 300 D CB -0.271 40.564 40.800 0.059 0.000 0.966 300 D HN 0.445 nan 8.370 nan 0.000 0.456 301 A N 1.297 124.211 122.820 0.156 0.000 1.877 301 A HA -0.059 4.259 4.320 -0.003 0.000 0.216 301 A C 2.353 180.082 177.584 0.242 0.000 1.186 301 A CA 2.351 54.529 52.037 0.235 0.000 0.620 301 A CB -0.750 18.385 19.000 0.226 0.000 0.822 301 A HN 0.243 nan 8.150 nan 0.000 0.443 302 A N -0.319 122.675 122.820 0.290 0.000 1.933 302 A HA -0.175 4.143 4.320 -0.003 0.000 0.218 302 A C 1.809 179.546 177.584 0.255 0.000 1.175 302 A CA 1.842 54.117 52.037 0.397 0.000 0.628 302 A CB -0.567 18.746 19.000 0.521 0.000 0.814 302 A HN 0.467 nan 8.150 nan 0.000 0.444 303 D N 0.101 120.622 120.400 0.203 0.000 2.104 303 D HA -0.132 4.506 4.640 -0.003 0.000 0.194 303 D C 1.874 178.200 176.300 0.044 0.000 0.994 303 D CA 1.260 55.374 54.000 0.191 0.000 0.830 303 D CB -0.293 40.612 40.800 0.176 0.000 0.959 303 D HN 0.525 nan 8.370 nan 0.000 0.452 304 I N 0.481 121.034 120.570 -0.029 0.000 2.226 304 I HA -0.295 3.874 4.170 -0.003 0.000 0.245 304 I C 2.546 178.587 176.117 -0.127 0.000 1.100 304 I CA 0.674 61.875 61.300 -0.165 0.000 1.374 304 I CB -0.175 37.608 38.000 -0.362 0.000 1.057 304 I HN 0.077 nan 8.210 nan 0.000 0.413 305 C N 0.620 119.885 119.300 -0.059 0.000 2.425 305 C HA -0.143 4.316 4.460 -0.003 0.000 0.277 305 C C 2.510 177.435 174.990 -0.109 0.000 1.280 305 C CA 1.117 60.021 59.018 -0.191 0.000 1.744 305 C CB -1.709 25.599 27.740 -0.720 0.000 1.989 305 C HN 0.543 nan 8.230 nan 0.000 0.491 306 N N 0.737 119.433 118.700 -0.006 0.000 2.142 306 N HA -0.074 4.665 4.740 -0.003 0.000 0.186 306 N C 1.613 177.051 175.510 -0.120 0.000 1.023 306 N CA 0.983 54.019 53.050 -0.023 0.000 0.852 306 N CB -0.187 38.362 38.487 0.104 0.000 0.998 306 N HN 0.474 nan 8.380 nan 0.000 0.424 307 L N 0.970 122.119 121.223 -0.125 0.000 2.046 307 L HA -0.144 4.195 4.340 -0.003 0.000 0.208 307 L C 2.164 178.907 176.870 -0.213 0.000 1.077 307 L CA 0.930 55.647 54.840 -0.205 0.000 0.747 307 L CB -0.356 41.547 42.059 -0.261 0.000 0.896 307 L HN 0.214 nan 8.230 nan 0.000 0.432 308 I N -0.289 120.129 120.570 -0.253 0.000 2.179 308 I HA -0.221 3.947 4.170 -0.003 0.000 0.242 308 I C 2.624 178.627 176.117 -0.190 0.000 1.088 308 I CA 1.523 62.604 61.300 -0.364 0.000 1.357 308 I CB -0.864 36.876 38.000 -0.435 0.000 1.051 308 I HN 0.281 nan 8.210 nan 0.000 0.409 309 G N 0.734 109.459 108.800 -0.126 0.000 2.422 309 G HA2 -0.293 3.666 3.960 -0.003 0.000 0.218 309 G HA3 -0.293 3.666 3.960 -0.003 0.000 0.218 309 G C 1.705 176.573 174.900 -0.054 0.000 1.146 309 G CA 0.821 45.888 45.100 -0.054 0.000 0.769 309 G HN 0.334 nan 8.290 nan 0.000 0.547 310 K N 0.668 120.973 120.400 -0.159 0.000 2.097 310 K HA 0.048 4.367 4.320 -0.003 0.000 0.206 310 K C 2.722 179.375 176.600 0.088 0.000 1.049 310 K CA 1.272 57.523 56.287 -0.060 0.000 0.933 310 K CB -0.320 32.096 32.500 -0.140 0.000 0.717 310 K HN 0.196 nan 8.250 nan 0.000 0.442 311 A N 0.719 123.563 122.820 0.040 0.000 1.933 311 A HA -0.088 4.230 4.320 -0.003 0.000 0.218 311 A C 2.193 179.919 177.584 0.236 0.000 1.175 311 A CA 1.539 53.652 52.037 0.127 0.000 0.628 311 A CB -0.484 18.570 19.000 0.091 0.000 0.814 311 A HN 0.185 nan 8.150 nan 0.000 0.444 312 V N -0.580 119.457 119.914 0.204 0.000 2.453 312 V HA -0.171 3.948 4.120 -0.003 0.000 0.247 312 V C 2.506 178.664 176.094 0.106 0.000 1.048 312 V CA 1.710 64.120 62.300 0.182 0.000 1.049 312 V CB -0.464 31.461 31.823 0.171 0.000 0.672 312 V HN 0.362 nan 8.190 nan 0.000 0.457 313 V N -0.626 119.373 119.914 0.143 0.000 2.427 313 V HA -0.027 4.091 4.120 -0.003 0.000 0.248 313 V C 1.758 177.924 176.094 0.121 0.000 1.051 313 V CA 1.062 63.453 62.300 0.151 0.000 1.048 313 V CB -0.882 31.130 31.823 0.315 0.000 0.666 313 V HN 0.694 nan 8.190 nan 0.000 0.456 314 A N 0.200 123.111 122.820 0.153 0.000 5.479 314 A HA -0.271 4.048 4.320 -0.003 0.000 0.301 314 A C 1.565 179.210 177.584 0.103 0.000 1.961 314 A CA 1.099 53.219 52.037 0.137 0.000 0.716 314 A CB -1.980 17.101 19.000 0.136 0.000 1.266 314 A HN 1.219 nan 8.150 nan 0.000 0.372 315 G N -0.075 108.781 108.800 0.093 0.000 3.496 315 G HA2 0.559 4.517 3.960 -0.003 0.000 0.273 315 G HA3 0.559 4.517 3.960 -0.003 0.000 0.273 315 G C 0.230 175.145 174.900 0.025 0.000 1.279 315 G CA 1.808 46.939 45.100 0.051 0.000 1.041 315 G HN 1.717 nan 8.290 nan 0.000 0.539 322 E N -0.604 119.697 120.200 0.169 0.000 2.343 322 E HA 0.687 5.036 4.350 -0.003 0.000 0.270 322 E C -1.492 175.182 176.600 0.123 0.000 0.895 322 E CA -0.724 55.802 56.400 0.211 0.000 0.767 322 E CB 2.795 32.680 29.700 0.308 0.000 1.248 322 E HN 0.346 nan 8.360 nan 0.000 0.440 323 L N 1.246 122.494 121.223 0.041 0.000 2.439 323 L HA 0.697 5.036 4.340 -0.003 0.000 0.270 323 L C -1.537 175.050 176.870 -0.472 0.000 0.972 323 L CA -0.480 54.304 54.840 -0.093 0.000 0.836 323 L CB 1.354 43.406 42.059 -0.012 0.000 1.255 323 L HN 0.693 nan 8.230 nan 0.000 0.404 324 A N 5.090 127.620 122.820 -0.484 0.000 2.260 324 A HA 0.648 4.967 4.320 -0.003 0.000 0.314 324 A C -1.224 176.252 177.584 -0.180 0.000 1.257 324 A CA -0.469 51.102 52.037 -0.776 0.000 0.871 324 A CB 1.108 19.963 19.000 -0.242 0.000 1.166 324 A HN 0.641 nan 8.150 nan 0.000 0.522 325 L N 3.473 124.538 121.223 -0.265 0.000 2.298 325 L HA 0.760 5.098 4.340 -0.003 0.000 0.284 325 L C 0.354 177.024 176.870 -0.333 0.000 1.013 325 L CA 0.225 54.984 54.840 -0.136 0.000 0.824 325 L CB 1.131 43.150 42.059 -0.067 0.000 1.221 325 L HN 0.739 nan 8.230 nan 0.000 0.418 326 G N 2.356 110.871 108.800 -0.475 0.000 2.788 326 G HA2 0.549 4.508 3.960 -0.003 0.000 0.293 326 G HA3 0.549 4.508 3.960 -0.003 0.000 0.293 326 G C -1.125 173.589 174.900 -0.310 0.000 1.305 326 G CA -0.714 43.908 45.100 -0.797 0.000 1.005 326 G HN 0.555 nan 8.290 nan 0.000 0.496 327 S N -0.287 115.267 115.700 -0.243 0.000 2.564 327 S HA 0.056 4.525 4.470 -0.003 0.000 0.278 327 S C 1.521 176.100 174.600 -0.034 0.000 1.333 327 S CA -0.143 57.992 58.200 -0.109 0.000 1.048 327 S CB 1.071 64.226 63.200 -0.075 0.000 0.900 327 S HN 0.745 nan 8.310 nan 0.000 0.505 328 N N 1.683 120.342 118.700 -0.069 0.000 2.520 328 N HA -0.137 4.601 4.740 -0.003 0.000 0.185 328 N C 0.472 176.018 175.510 0.061 0.000 1.068 328 N CA 0.903 53.920 53.050 -0.054 0.000 0.911 328 N CB -0.094 38.218 38.487 -0.292 0.000 0.961 328 N HN 0.669 nan 8.380 nan 0.000 0.446 329 D N -1.712 118.723 120.400 0.058 0.000 2.462 329 D HA -0.006 4.632 4.640 -0.003 0.000 0.221 329 D C -0.634 175.709 176.300 0.072 0.000 1.173 329 D CA -0.314 53.731 54.000 0.075 0.000 0.831 329 D CB -0.340 40.498 40.800 0.062 0.000 1.001 329 D HN 0.089 nan 8.370 nan 0.000 0.499 330 D N 1.515 121.970 120.400 0.092 0.000 2.500 330 D HA 0.041 4.680 4.640 -0.003 0.000 0.219 330 D C 1.188 177.583 176.300 0.157 0.000 1.137 330 D CA -0.214 53.856 54.000 0.117 0.000 0.946 330 D CB 1.010 41.879 40.800 0.115 0.000 1.022 330 D HN -0.138 nan 8.370 nan 0.000 0.518 331 Q N 1.474 121.338 119.800 0.106 0.000 2.124 331 Q HA -0.131 4.207 4.340 -0.003 0.000 0.202 331 Q C 0.929 176.977 176.000 0.081 0.000 0.977 331 Q CA 1.102 56.956 55.803 0.086 0.000 0.850 331 Q CB 0.155 28.929 28.738 0.060 0.000 0.901 331 Q HN 0.560 nan 8.270 nan 0.000 0.429 332 D N -0.155 120.303 120.400 0.096 0.000 2.144 332 D HA -0.122 4.516 4.640 -0.003 0.000 0.199 332 D C 1.664 178.026 176.300 0.103 0.000 0.984 332 D CA 0.590 54.642 54.000 0.085 0.000 0.834 332 D CB -0.341 40.514 40.800 0.091 0.000 0.955 332 D HN 0.189 nan 8.370 nan 0.000 0.465 333 F N 1.598 121.564 119.950 0.027 0.000 2.084 333 F HA -0.089 4.437 4.527 -0.002 0.000 0.296 333 F C 2.174 177.986 175.800 0.021 0.000 1.111 333 F CA 1.021 59.038 58.000 0.028 0.000 1.224 333 F CB -0.475 38.540 39.000 0.026 0.000 0.991 333 F HN -0.170 nan 8.300 nan 0.000 0.471 334 I N -0.141 120.366 120.570 -0.105 0.000 2.315 334 I HA -0.331 3.837 4.170 -0.003 0.000 0.251 334 I C 1.869 177.871 176.117 -0.192 0.000 1.125 334 I CA 1.700 62.889 61.300 -0.184 0.000 1.392 334 I CB -0.601 37.413 38.000 0.024 0.000 1.065 334 I HN 0.127 nan 8.210 nan 0.000 0.424 335 S N 0.482 116.112 115.700 -0.115 0.000 2.556 335 S HA 0.095 4.563 4.470 -0.003 0.000 0.216 335 S C 1.809 176.350 174.600 -0.099 0.000 0.970 335 S CA 0.009 58.160 58.200 -0.082 0.000 0.912 335 S CB 0.038 63.222 63.200 -0.027 0.000 0.790 335 S HN 0.484 nan 8.310 nan 0.000 0.504 336 M N 1.321 120.829 119.600 -0.154 0.000 2.144 336 M HA -0.034 4.444 4.480 -0.003 0.000 0.260 336 M C 1.340 177.574 176.300 -0.109 0.000 1.067 336 M CA 1.661 56.893 55.300 -0.114 0.000 1.095 336 M CB -0.649 31.884 32.600 -0.111 0.000 1.365 336 M HN -0.036 nan 8.290 nan 0.000 0.406 337 K N 0.294 120.613 120.400 -0.136 0.000 2.525 337 K HA 0.015 4.334 4.320 -0.003 0.000 0.192 337 K C 1.711 178.280 176.600 -0.052 0.000 1.029 337 K CA 0.536 56.768 56.287 -0.091 0.000 1.029 337 K CB 0.042 32.488 32.500 -0.089 0.000 0.814 337 K HN 0.605 nan 8.250 nan 0.000 0.503 338 Q N 0.521 120.292 119.800 -0.049 0.000 2.398 338 Q HA -0.047 4.291 4.340 -0.003 0.000 0.204 338 Q C 0.159 176.150 176.000 -0.015 0.000 0.932 338 Q CA 0.173 55.961 55.803 -0.024 0.000 0.916 338 Q CB 0.345 29.071 28.738 -0.020 0.000 1.024 338 Q HN 0.163 nan 8.270 nan 0.000 0.504 339 D N 0.948 121.335 120.400 -0.021 0.000 2.357 339 D HA -0.073 4.565 4.640 -0.003 0.000 0.265 339 D C 0.735 177.033 176.300 -0.004 0.000 1.334 339 D CA 0.210 54.203 54.000 -0.011 0.000 0.984 339 D CB 0.817 41.609 40.800 -0.014 0.000 1.077 339 D HN 0.070 nan 8.370 nan 0.000 0.514 340 Q N 3.149 122.953 119.800 0.006 0.000 2.077 340 Q HA -0.227 4.111 4.340 -0.003 0.000 0.206 340 Q C 1.627 177.646 176.000 0.032 0.000 0.989 340 Q CA 1.302 57.115 55.803 0.017 0.000 0.853 340 Q CB -0.218 28.529 28.738 0.016 0.000 0.907 340 Q HN 0.745 nan 8.270 nan 0.000 0.418 341 E N 0.871 121.090 120.200 0.031 0.000 2.085 341 E HA -0.187 4.161 4.350 -0.003 0.000 0.194 341 E C 1.729 178.375 176.600 0.076 0.000 0.994 341 E CA 1.169 57.598 56.400 0.050 0.000 0.801 341 E CB 0.152 29.871 29.700 0.033 0.000 0.743 341 E HN 0.241 nan 8.360 nan 0.000 0.453 342 K N -0.006 120.415 120.400 0.036 0.000 2.228 342 K HA -0.089 4.229 4.320 -0.003 0.000 0.202 342 K C 2.200 178.755 176.600 -0.076 0.000 1.051 342 K CA 0.559 56.844 56.287 -0.003 0.000 0.960 342 K CB -0.070 32.401 32.500 -0.049 0.000 0.743 342 K HN 0.149 nan 8.250 nan 0.000 0.458 343 L N 1.231 122.445 121.223 -0.016 0.000 2.046 343 L HA -0.145 4.194 4.340 -0.003 0.000 0.208 343 L C 2.034 179.018 176.870 0.191 0.000 1.077 343 L CA 1.688 56.546 54.840 0.030 0.000 0.747 343 L CB -0.274 41.809 42.059 0.039 0.000 0.896 343 L HN 0.115 nan 8.230 nan 0.000 0.432 344 M N -1.360 118.343 119.600 0.172 0.000 2.175 344 M HA -0.193 4.286 4.480 -0.003 0.000 0.264 344 M C 2.383 178.885 176.300 0.336 0.000 1.063 344 M CA 1.650 57.074 55.300 0.208 0.000 1.119 344 M CB -1.595 31.078 32.600 0.122 0.000 1.377 344 M HN 0.500 nan 8.290 nan 0.000 0.415 345 H N -0.074 119.129 119.070 0.222 0.000 2.333 345 H HA -0.127 4.428 4.556 -0.003 0.000 0.302 345 H C 1.512 177.072 175.328 0.387 0.000 1.075 345 H CA 2.054 58.276 56.048 0.289 0.000 1.348 345 H CB 0.353 30.276 29.762 0.270 0.000 1.393 345 H HN 0.593 nan 8.280 nan 0.000 0.509 346 H N -2.356 116.766 119.070 0.086 0.000 3.826 346 H HA 0.169 4.723 4.556 -0.003 0.000 0.256 346 H C 1.564 176.567 175.328 -0.542 0.000 1.087 346 H CA -0.326 55.500 56.048 -0.370 0.000 1.166 346 H CB 0.048 29.703 29.762 -0.178 0.000 1.362 346 H HN 0.118 nan 8.280 nan 0.000 0.803 347 R N 1.615 121.719 120.500 -0.661 0.000 2.316 347 R HA 0.000 4.339 4.340 -0.003 0.000 0.202 347 R C 1.585 177.762 176.300 -0.204 0.000 1.029 347 R CA 1.235 57.095 56.100 -0.400 0.000 1.018 347 R CB -0.195 29.919 30.300 -0.310 0.000 0.888 347 R HN 0.504 nan 8.270 nan 0.000 0.471 348 W N -0.381 120.887 121.300 -0.054 0.000 2.595 348 W HA 0.104 4.763 4.660 -0.002 0.000 0.257 348 W C 1.300 177.827 176.519 0.013 0.000 1.267 348 W CA 0.436 57.767 57.345 -0.023 0.000 1.300 348 W CB -0.438 29.008 29.460 -0.024 0.000 1.120 348 W HN -0.025 nan 8.180 nan 0.000 0.618 349 A N 1.381 123.802 122.820 -0.664 0.000 2.076 349 A HA -0.083 4.236 4.320 -0.003 0.000 0.220 349 A C 1.324 178.862 177.584 -0.077 0.000 1.160 349 A CA 1.629 53.323 52.037 -0.571 0.000 0.653 349 A CB -0.765 17.773 19.000 -0.770 0.000 0.801 349 A HN 0.313 nan 8.150 nan 0.000 0.455 350 S N -1.050 114.647 115.700 -0.005 0.000 2.595 350 S HA 0.620 5.088 4.470 -0.003 0.000 0.281 350 S C -1.080 173.551 174.600 0.052 0.000 1.117 350 S CA -1.067 57.175 58.200 0.071 0.000 0.873 350 S CB 1.340 64.614 63.200 0.124 0.000 1.108 350 S HN 0.170 nan 8.310 nan 0.000 0.477 351 N N 2.132 120.859 118.700 0.045 0.000 2.400 351 N HA 0.468 5.207 4.740 -0.003 0.000 0.288 351 N C -1.334 174.179 175.510 0.006 0.000 1.024 351 N CA -0.456 52.612 53.050 0.029 0.000 0.894 351 N CB 1.222 39.734 38.487 0.043 0.000 1.173 351 N HN 0.600 nan 8.380 nan 0.000 0.487 352 N N 0.246 118.939 118.700 -0.013 0.000 2.443 352 N HA 0.441 5.179 4.740 -0.003 0.000 0.295 352 N C -0.636 174.901 175.510 0.045 0.000 1.076 352 N CA -0.245 52.810 53.050 0.007 0.000 0.919 352 N CB 1.467 39.849 38.487 -0.174 0.000 1.176 352 N HN 0.288 nan 8.380 nan 0.000 0.487 353 S N -0.304 115.475 115.700 0.131 0.000 2.627 353 S HA 0.676 5.145 4.470 -0.003 0.000 0.283 353 S C -0.588 174.110 174.600 0.164 0.000 1.127 353 S CA -0.810 57.452 58.200 0.103 0.000 0.863 353 S CB 1.753 64.978 63.200 0.042 0.000 1.121 353 S HN 0.367 nan 8.310 nan 0.000 0.479 354 V N -0.455 119.503 119.914 0.074 0.000 2.715 354 V HA 0.997 5.116 4.120 -0.003 0.000 0.310 354 V C -0.071 175.959 176.094 -0.107 0.000 1.054 354 V CA -1.121 61.185 62.300 0.011 0.000 0.928 354 V CB 1.052 32.867 31.823 -0.015 0.000 1.007 354 V HN 1.012 nan 8.190 nan 0.000 0.437 355 A N 3.688 126.422 122.820 -0.144 0.000 2.331 355 A HA 0.856 5.174 4.320 -0.003 0.000 0.283 355 A C 0.049 177.468 177.584 -0.276 0.000 1.142 355 A CA 0.155 52.090 52.037 -0.169 0.000 0.812 355 A CB 0.783 19.702 19.000 -0.135 0.000 1.074 355 A HN 2.283 nan 8.150 nan 0.000 0.497 356 V N -0.004 119.746 119.914 -0.273 0.000 3.156 356 V HA 0.929 5.048 4.120 -0.003 0.000 0.310 356 V C -1.020 174.999 176.094 -0.126 0.000 1.234 356 V CA -0.565 61.517 62.300 -0.363 0.000 1.065 356 V CB 2.045 33.485 31.823 -0.638 0.000 1.088 356 V HN 0.967 nan 8.190 nan 0.000 0.451 357 D N -1.022 119.362 120.400 -0.027 0.000 2.714 357 D HA 0.498 5.136 4.640 -0.003 0.000 0.278 357 D C 0.556 176.903 176.300 0.078 0.000 1.102 357 D CA -0.105 53.920 54.000 0.042 0.000 1.108 357 D CB 1.250 42.086 40.800 0.060 0.000 1.444 357 D HN 0.337 nan 8.370 nan 0.000 0.568 358 S N -1.182 114.555 115.700 0.062 0.000 2.515 358 S HA 0.083 4.551 4.470 -0.003 0.000 0.231 358 S C 1.613 176.186 174.600 -0.044 0.000 0.987 358 S CA 0.663 58.838 58.200 -0.043 0.000 0.936 358 S CB -0.336 62.871 63.200 0.012 0.000 0.766 358 S HN 0.601 nan 8.310 nan 0.000 0.528 359 A N 0.544 123.400 122.820 0.061 0.000 2.178 359 A HA 0.308 4.627 4.320 -0.003 0.000 0.211 359 A C 0.543 178.152 177.584 0.042 0.000 1.157 359 A CA -0.321 51.751 52.037 0.057 0.000 0.780 359 A CB -0.365 18.677 19.000 0.070 0.000 0.828 359 A HN 0.421 nan 8.150 nan 0.000 0.476 360 F N 1.804 121.700 119.950 -0.091 0.000 2.563 360 F HA 0.233 4.758 4.527 -0.003 0.000 0.363 360 F C 1.255 176.912 175.800 -0.239 0.000 1.123 360 F CA 0.685 58.579 58.000 -0.176 0.000 1.307 360 F CB 0.919 39.779 39.000 -0.234 0.000 1.115 360 F HN 0.061 nan 8.300 nan 0.000 0.592 361 S N 2.024 117.044 115.700 -1.134 0.000 2.787 361 S HA 0.190 4.658 4.470 -0.003 0.000 0.255 361 S C 1.265 175.250 174.600 -1.026 0.000 1.051 361 S CA 0.180 57.894 58.200 -0.810 0.000 1.124 361 S CB -0.037 62.957 63.200 -0.344 0.000 1.104 361 S HN 0.865 nan 8.310 nan 0.000 0.623 362 G N 1.000 108.740 108.800 -1.765 0.000 3.337 362 G HA2 0.133 4.092 3.960 -0.003 0.000 0.226 362 G HA3 0.133 4.092 3.960 -0.003 0.000 0.226 362 G C 0.313 174.958 174.900 -0.425 0.000 1.295 362 G CA -0.038 44.526 45.100 -0.894 0.000 1.427 362 G HN 0.499 nan 8.290 nan 0.000 0.535 363 Y N -0.532 119.657 120.300 -0.185 0.000 2.497 363 Y HA -0.132 4.416 4.550 -0.002 0.000 0.292 363 Y C 2.695 178.610 175.900 0.024 0.000 1.137 363 Y CA 1.084 59.212 58.100 0.047 0.000 1.285 363 Y CB -0.188 38.290 38.460 0.030 0.000 0.991 363 Y HN 0.461 nan 8.280 nan 0.000 0.556 364 Q N 1.064 120.925 119.800 0.101 0.000 2.020 364 Q HA -0.157 4.182 4.340 -0.003 0.000 0.202 364 Q C -0.580 175.463 176.000 0.071 0.000 0.982 364 Q CA 2.002 57.844 55.803 0.065 0.000 0.838 364 Q CB -0.853 27.897 28.738 0.020 0.000 0.899 364 Q HN 0.263 nan 8.270 nan 0.000 0.423 365 P HA -0.110 nan 4.420 nan 0.000 0.221 365 P C 1.160 178.518 177.300 0.097 0.000 1.150 365 P CA 1.060 64.202 63.100 0.071 0.000 0.800 365 P CB -0.038 31.700 31.700 0.063 0.000 0.787 366 I N 0.430 121.087 120.570 0.144 0.000 2.202 366 I HA -0.197 3.971 4.170 -0.003 0.000 0.242 366 I C 2.631 178.832 176.117 0.140 0.000 1.091 366 I CA 1.404 62.804 61.300 0.166 0.000 1.368 366 I CB -0.814 37.344 38.000 0.264 0.000 1.058 366 I HN -0.092 nan 8.210 nan 0.000 0.410 367 A N 0.764 123.664 122.820 0.133 0.000 1.940 367 A HA -0.190 4.128 4.320 -0.003 0.000 0.219 367 A C 2.527 180.148 177.584 0.063 0.000 1.176 367 A CA 1.881 53.962 52.037 0.074 0.000 0.631 367 A CB -0.804 18.216 19.000 0.033 0.000 0.814 367 A HN 0.448 nan 8.150 nan 0.000 0.446 368 A N -0.477 122.382 122.820 0.065 0.000 1.902 368 A HA 0.099 4.418 4.320 -0.003 0.000 0.217 368 A C 2.418 180.045 177.584 0.072 0.000 1.181 368 A CA 1.979 54.052 52.037 0.060 0.000 0.623 368 A CB -1.375 17.655 19.000 0.049 0.000 0.818 368 A HN 0.733 nan 8.150 nan 0.000 0.443 369 G N -0.148 108.697 108.800 0.074 0.000 2.402 369 G HA2 -0.151 3.808 3.960 -0.003 0.000 0.216 369 G HA3 -0.151 3.808 3.960 -0.003 0.000 0.216 369 G C 1.518 176.475 174.900 0.095 0.000 1.162 369 G CA 1.053 46.194 45.100 0.070 0.000 0.777 369 G HN 0.479 nan 8.290 nan 0.000 0.539 370 I N 0.225 120.867 120.570 0.121 0.000 2.226 370 I HA -0.146 4.023 4.170 -0.003 0.000 0.245 370 I C 2.929 179.211 176.117 0.274 0.000 1.100 370 I CA 0.890 62.298 61.300 0.181 0.000 1.374 370 I CB -0.167 37.942 38.000 0.181 0.000 1.057 370 I HN 0.089 nan 8.210 nan 0.000 0.413 371 R N 0.322 120.962 120.500 0.232 0.000 2.189 371 R HA -0.175 4.164 4.340 -0.003 0.000 0.223 371 R C 2.087 178.509 176.300 0.204 0.000 1.092 371 R CA 1.043 57.324 56.100 0.302 0.000 0.989 371 R CB -0.196 30.208 30.300 0.174 0.000 0.876 371 R HN 0.501 nan 8.270 nan 0.000 0.457 372 E N 1.210 121.491 120.200 0.135 0.000 2.075 372 E HA -0.112 4.237 4.350 -0.003 0.000 0.190 372 E C 0.406 177.044 176.600 0.064 0.000 0.969 372 E CA 1.334 57.784 56.400 0.084 0.000 0.815 372 E CB 0.289 30.025 29.700 0.059 0.000 0.776 372 E HN 0.421 nan 8.360 nan 0.000 0.457 373 N N -1.942 116.799 118.700 0.068 0.000 2.142 373 N HA 0.173 4.912 4.740 -0.003 0.000 0.233 373 N C 0.555 176.094 175.510 0.048 0.000 1.335 373 N CA 0.368 53.442 53.050 0.040 0.000 0.837 373 N CB 1.038 39.540 38.487 0.024 0.000 1.238 373 N HN 0.224 nan 8.380 nan 0.000 0.501 374 G N -0.505 108.353 108.800 0.096 0.000 2.148 374 G HA2 -0.270 3.689 3.960 -0.003 0.000 0.254 374 G HA3 -0.270 3.689 3.960 -0.003 0.000 0.254 374 G C -0.602 174.353 174.900 0.092 0.000 0.981 374 G CA 0.461 45.627 45.100 0.111 0.000 0.670 374 G HN 0.435 nan 8.290 nan 0.000 0.528 375 E N 0.195 120.439 120.200 0.074 0.000 2.343 375 E HA 0.459 4.808 4.350 -0.003 0.000 0.270 375 E C -2.720 173.911 176.600 0.051 0.000 0.895 375 E CA -1.778 54.651 56.400 0.048 0.000 0.767 375 E CB 3.161 32.867 29.700 0.010 0.000 1.248 375 E HN 0.180 nan 8.360 nan 0.000 0.440 376 P HA 0.197 nan 4.420 nan 0.000 0.278 376 P C -0.118 177.223 177.300 0.067 0.000 1.258 376 P CA -0.250 62.873 63.100 0.038 0.000 0.811 376 P CB 0.960 32.679 31.700 0.032 0.000 1.063 377 G N 0.244 109.078 108.800 0.057 0.000 2.547 377 G HA2 0.617 4.576 3.960 -0.003 0.000 0.291 377 G HA3 0.617 4.576 3.960 -0.003 0.000 0.291 377 G C -0.670 174.263 174.900 0.055 0.000 1.211 377 G CA -0.805 44.331 45.100 0.061 0.000 0.950 377 G HN 0.442 nan 8.290 nan 0.000 0.504 378 I N -0.699 119.901 120.570 0.050 0.000 2.647 378 I HA 0.398 4.567 4.170 -0.003 0.000 0.295 378 I C -0.882 175.237 176.117 0.002 0.000 1.078 378 I CA -0.935 60.382 61.300 0.028 0.000 1.048 378 I CB 2.655 40.707 38.000 0.086 0.000 1.239 378 I HN 0.082 nan 8.210 nan 0.000 0.421 379 V N 4.365 124.257 119.914 -0.036 0.000 2.482 379 V HA 0.316 4.435 4.120 -0.003 0.000 0.295 379 V C -0.331 175.724 176.094 -0.065 0.000 1.026 379 V CA -0.700 61.570 62.300 -0.049 0.000 0.856 379 V CB 1.847 33.628 31.823 -0.070 0.000 1.001 379 V HN 0.676 nan 8.190 nan 0.000 0.424 380 N N 4.764 123.439 118.700 -0.040 0.000 2.602 380 N HA 0.293 5.032 4.740 -0.003 0.000 0.238 380 N C 0.866 176.354 175.510 -0.037 0.000 1.084 380 N CA -0.170 52.861 53.050 -0.033 0.000 0.952 380 N CB 1.083 39.571 38.487 0.001 0.000 1.244 380 N HN 0.692 nan 8.380 nan 0.000 0.512 381 L N 1.272 122.461 121.223 -0.056 0.000 2.201 381 L HA -0.131 4.207 4.340 -0.003 0.000 0.212 381 L C 1.780 178.639 176.870 -0.018 0.000 1.105 381 L CA 0.777 55.581 54.840 -0.061 0.000 0.775 381 L CB -0.216 41.792 42.059 -0.083 0.000 0.913 381 L HN 0.444 nan 8.230 nan 0.000 0.440 382 D N 0.783 121.194 120.400 0.017 0.000 2.078 382 D HA -0.192 4.447 4.640 -0.003 0.000 0.193 382 D C 2.265 178.641 176.300 0.128 0.000 0.990 382 D CA 1.528 55.575 54.000 0.080 0.000 0.827 382 D CB -0.044 40.821 40.800 0.108 0.000 0.975 382 D HN 0.184 nan 8.370 nan 0.000 0.451 383 L N -0.010 121.278 121.223 0.109 0.000 2.093 383 L HA -0.112 4.226 4.340 -0.003 0.000 0.208 383 L C 2.632 179.564 176.870 0.103 0.000 1.085 383 L CA 1.057 55.971 54.840 0.122 0.000 0.755 383 L CB -0.422 41.620 42.059 -0.028 0.000 0.904 383 L HN 0.025 nan 8.230 nan 0.000 0.435 384 S N -0.235 115.479 115.700 0.024 0.000 2.382 384 S HA -0.157 4.311 4.470 -0.003 0.000 0.228 384 S C 1.884 176.471 174.600 -0.020 0.000 1.027 384 S CA 1.227 59.418 58.200 -0.014 0.000 0.991 384 S CB -0.083 63.080 63.200 -0.062 0.000 0.823 384 S HN 0.394 nan 8.310 nan 0.000 0.469 385 K N 0.923 121.312 120.400 -0.019 0.000 2.243 385 K HA 0.164 4.482 4.320 -0.003 0.000 0.201 385 K C 0.706 177.251 176.600 -0.091 0.000 1.051 385 K CA 0.552 56.806 56.287 -0.054 0.000 0.970 385 K CB 0.038 32.508 32.500 -0.050 0.000 0.755 385 K HN 0.217 nan 8.250 nan 0.000 0.465 386 N N -0.366 118.290 118.700 -0.072 0.000 2.204 386 N HA 0.081 4.819 4.740 -0.003 0.000 0.219 386 N C -0.962 174.314 175.510 -0.390 0.000 1.151 386 N CA 0.199 53.053 53.050 -0.326 0.000 0.867 386 N CB 0.723 38.878 38.487 -0.554 0.000 1.043 386 N HN 0.040 nan 8.380 nan 0.000 0.516 387 Y N -0.938 119.260 120.300 -0.170 0.000 2.534 387 Y HA 0.533 5.081 4.550 -0.002 0.000 0.345 387 Y C 0.945 176.781 175.900 -0.107 0.000 1.031 387 Y CA -0.912 57.114 58.100 -0.124 0.000 1.022 387 Y CB 1.790 40.210 38.460 -0.067 0.000 1.292 387 Y HN -0.140 nan 8.280 nan 0.000 0.459 388 G N 1.357 110.189 108.800 0.053 0.000 3.387 388 G HA2 0.291 4.249 3.960 -0.003 0.000 0.195 388 G HA3 0.291 4.249 3.960 -0.003 0.000 0.195 388 G C -0.470 174.411 174.900 -0.032 0.000 1.853 388 G CA -0.753 44.347 45.100 -0.000 0.000 0.879 388 G HN 0.453 nan 8.290 nan 0.000 0.651 389 R N 0.326 120.739 120.500 -0.145 0.000 2.490 389 R HA 0.186 4.524 4.340 -0.003 0.000 0.280 389 R C 1.528 177.774 176.300 -0.089 0.000 1.077 389 R CA -0.740 55.217 56.100 -0.239 0.000 1.065 389 R CB 1.179 31.201 30.300 -0.463 0.000 1.003 389 R HN 0.229 nan 8.270 nan 0.000 0.470 390 I N 2.698 123.195 120.570 -0.121 0.000 2.264 390 I HA -0.234 3.935 4.170 -0.003 0.000 0.248 390 I C 2.260 178.356 176.117 -0.035 0.000 1.111 390 I CA 1.338 62.615 61.300 -0.037 0.000 1.382 390 I CB -0.886 37.009 38.000 -0.176 0.000 1.060 390 I HN 0.488 nan 8.210 nan 0.000 0.418 391 V N 1.231 121.012 119.914 -0.221 0.000 2.867 391 V HA -0.205 3.914 4.120 -0.003 0.000 0.260 391 V C 1.555 177.613 176.094 -0.061 0.000 1.099 391 V CA 1.764 63.951 62.300 -0.188 0.000 1.122 391 V CB -0.507 31.134 31.823 -0.305 0.000 0.708 391 V HN 0.325 nan 8.190 nan 0.000 0.490 392 D N 0.284 120.653 120.400 -0.051 0.000 2.340 392 D HA 0.279 4.917 4.640 -0.003 0.000 0.220 392 D C 1.075 177.369 176.300 -0.010 0.000 1.039 392 D CA 1.037 55.022 54.000 -0.026 0.000 0.866 392 D CB 0.273 41.045 40.800 -0.047 0.000 0.913 392 D HN 0.603 nan 8.370 nan 0.000 0.523 393 G N 0.795 109.628 108.800 0.056 0.000 2.828 393 G HA2 -0.296 3.663 3.960 -0.003 0.000 0.463 393 G HA3 -0.296 3.663 3.960 -0.003 0.000 0.463 393 G C -0.610 174.102 174.900 -0.314 0.000 1.394 393 G CA -0.740 44.385 45.100 0.042 0.000 0.862 393 G HN 0.233 nan 8.290 nan 0.000 0.540 394 Y N 1.276 121.253 120.300 -0.539 0.000 2.544 394 Y HA 0.465 5.014 4.550 -0.003 0.000 0.330 394 Y C 0.981 176.607 175.900 -0.457 0.000 1.136 394 Y CA 0.805 58.391 58.100 -0.857 0.000 1.417 394 Y CB 0.547 38.777 38.460 -0.384 0.000 1.229 394 Y HN 0.488 nan 8.280 nan 0.000 0.532 395 Q N 5.877 125.194 119.800 -0.805 0.000 2.616 395 Q HA 0.468 4.807 4.340 -0.003 0.000 0.250 395 Q C -0.604 175.045 176.000 -0.584 0.000 0.991 395 Q CA -0.819 54.702 55.803 -0.470 0.000 0.707 395 Q CB 1.419 29.973 28.738 -0.307 0.000 1.247 395 Q HN 0.889 nan 8.270 nan 0.000 0.491 396 A N 1.368 123.878 122.820 -0.517 0.000 2.572 396 A HA 0.272 4.590 4.320 -0.003 0.000 0.256 396 A C 1.387 178.834 177.584 -0.229 0.000 1.041 396 A CA 1.216 53.033 52.037 -0.366 0.000 0.790 396 A CB -0.676 18.301 19.000 -0.038 0.000 0.947 396 A HN 1.090 nan 8.150 nan 0.000 0.518 397 G N 2.227 110.893 108.800 -0.222 0.000 2.203 397 G HA2 -0.320 3.638 3.960 -0.003 0.000 0.263 397 G HA3 -0.320 3.638 3.960 -0.003 0.000 0.263 397 G C 0.795 175.616 174.900 -0.132 0.000 1.012 397 G CA 0.527 45.544 45.100 -0.138 0.000 0.749 397 G HN 1.393 nan 8.290 nan 0.000 0.512 398 I N -1.006 119.462 120.570 -0.170 0.000 2.423 398 I HA -0.059 4.110 4.170 -0.003 0.000 0.254 398 I C 0.918 176.975 176.117 -0.100 0.000 1.151 398 I CA 1.981 63.204 61.300 -0.129 0.000 1.421 398 I CB 0.185 38.099 38.000 -0.144 0.000 1.079 398 I HN 0.133 nan 8.210 nan 0.000 0.431 399 D N -0.216 120.122 120.400 -0.103 0.000 2.952 399 D HA 0.212 4.851 4.640 -0.003 0.000 0.373 399 D C 1.173 177.420 176.300 -0.088 0.000 1.360 399 D CA 0.193 54.140 54.000 -0.089 0.000 0.788 399 D CB 0.549 41.299 40.800 -0.083 0.000 1.192 399 D HN 0.273 nan 8.370 nan 0.000 0.462 400 G N 0.172 108.922 108.800 -0.084 0.000 2.535 400 G HA2 -0.207 3.752 3.960 -0.003 0.000 0.218 400 G HA3 -0.207 3.752 3.960 -0.003 0.000 0.218 400 G C 1.105 175.965 174.900 -0.067 0.000 1.122 400 G CA 0.367 45.423 45.100 -0.073 0.000 0.769 400 G HN 0.197 nan 8.290 nan 0.000 0.549 401 D N -0.214 120.142 120.400 -0.072 0.000 2.350 401 D HA 0.085 4.723 4.640 -0.003 0.000 0.213 401 D C 1.155 177.401 176.300 -0.089 0.000 1.031 401 D CA -0.114 53.844 54.000 -0.069 0.000 0.861 401 D CB 0.511 41.273 40.800 -0.062 0.000 0.926 401 D HN 0.051 nan 8.370 nan 0.000 0.520 402 V N 1.430 121.276 119.914 -0.113 0.000 2.673 402 V HA -0.045 4.074 4.120 -0.003 0.000 0.303 402 V C 1.242 177.212 176.094 -0.207 0.000 1.046 402 V CA 0.903 63.100 62.300 -0.172 0.000 1.126 402 V CB 1.075 32.802 31.823 -0.161 0.000 0.934 402 V HN 0.091 nan 8.190 nan 0.000 0.487 403 E N 2.195 122.177 120.200 -0.364 0.000 2.665 403 E HA 0.350 4.698 4.350 -0.003 0.000 0.225 403 E C 0.592 176.763 176.600 -0.714 0.000 0.922 403 E CA 0.499 56.678 56.400 -0.368 0.000 1.242 403 E CB 1.558 31.188 29.700 -0.118 0.000 1.197 403 E HN 0.879 nan 8.360 nan 0.000 0.581 404 G N 0.101 108.235 108.800 -1.109 0.000 2.500 404 G HA2 0.372 4.331 3.960 -0.003 0.000 0.299 404 G HA3 0.372 4.331 3.960 -0.003 0.000 0.299 404 G C -1.214 173.299 174.900 -0.644 0.000 1.242 404 G CA 0.035 44.505 45.100 -1.050 0.000 0.859 404 G HN -0.075 nan 8.290 nan 0.000 0.481 405 T N -0.111 114.250 114.554 -0.321 0.000 2.792 405 T HA 0.509 4.858 4.350 -0.003 0.000 0.303 405 T C -0.935 173.821 174.700 0.094 0.000 1.310 405 T CA -0.440 61.601 62.100 -0.098 0.000 1.007 405 T CB 1.350 70.173 68.868 -0.076 0.000 1.335 405 T HN 0.964 nan 8.240 nan 0.000 0.504 406 N N 1.970 120.724 118.700 0.089 0.000 2.381 406 N HA 0.267 5.006 4.740 -0.003 0.000 0.254 406 N C -2.156 173.417 175.510 0.106 0.000 1.264 406 N CA -1.223 51.909 53.050 0.136 0.000 0.942 406 N CB -0.009 38.532 38.487 0.090 0.000 1.190 406 N HN 0.233 nan 8.380 nan 0.000 0.495 407 P HA -0.062 nan 4.420 nan 0.000 0.217 407 P C 0.758 178.099 177.300 0.069 0.000 1.151 407 P CA 1.436 64.593 63.100 0.095 0.000 0.849 407 P CB 0.100 31.870 31.700 0.116 0.000 0.787 408 C N -2.679 116.659 119.300 0.063 0.000 2.562 408 C HA 0.361 4.819 4.460 -0.003 0.000 0.266 408 C C 1.834 176.845 174.990 0.035 0.000 1.382 408 C CA 0.541 59.588 59.018 0.049 0.000 1.742 408 C CB -1.697 26.070 27.740 0.045 0.000 1.812 408 C HN 0.450 nan 8.230 nan 0.000 0.559 409 G N 1.845 110.663 108.800 0.030 0.000 2.179 409 G HA2 -0.270 3.688 3.960 -0.003 0.000 0.257 409 G HA3 -0.270 3.688 3.960 -0.003 0.000 0.257 409 G C 0.834 175.734 174.900 -0.001 0.000 1.010 409 G CA 0.830 45.937 45.100 0.011 0.000 0.736 409 G HN 0.701 nan 8.290 nan 0.000 0.513 410 E N -0.492 119.709 120.200 0.003 0.000 2.415 410 E HA 0.138 4.486 4.350 -0.003 0.000 0.197 410 E C 0.748 177.340 176.600 -0.013 0.000 1.007 410 E CA 0.235 56.635 56.400 -0.001 0.000 0.890 410 E CB 0.315 30.021 29.700 0.009 0.000 0.891 410 E HN 0.423 nan 8.360 nan 0.000 0.496 411 I N 2.050 122.608 120.570 -0.020 0.000 2.474 411 I HA 0.243 4.411 4.170 -0.003 0.000 0.294 411 I C -0.195 175.885 176.117 -0.062 0.000 1.005 411 I CA -1.025 60.252 61.300 -0.038 0.000 1.113 411 I CB 1.696 39.673 38.000 -0.038 0.000 1.289 411 I HN -0.143 nan 8.210 nan 0.000 0.436 412 S N 6.913 122.565 115.700 -0.080 0.000 2.465 412 S HA 0.651 5.120 4.470 -0.003 0.000 0.279 412 S C -0.086 174.435 174.600 -0.131 0.000 1.201 412 S CA -0.486 57.644 58.200 -0.116 0.000 1.053 412 S CB 0.713 63.852 63.200 -0.102 0.000 0.953 412 S HN 0.331 nan 8.310 nan 0.000 0.488 413 L N 2.155 123.261 121.223 -0.194 0.000 2.370 413 L HA 0.762 5.100 4.340 -0.003 0.000 0.266 413 L C 0.189 176.925 176.870 -0.224 0.000 1.002 413 L CA -0.959 53.789 54.840 -0.153 0.000 0.818 413 L CB 1.865 43.910 42.059 -0.024 0.000 1.325 413 L HN 0.677 nan 8.230 nan 0.000 0.418 414 A N 1.281 124.059 122.820 -0.070 0.000 2.252 414 A HA 0.396 4.714 4.320 -0.003 0.000 0.305 414 A C -0.270 177.430 177.584 0.194 0.000 1.097 414 A CA -0.495 51.532 52.037 -0.018 0.000 0.849 414 A CB 0.545 19.526 19.000 -0.032 0.000 1.142 414 A HN 0.756 nan 8.150 nan 0.000 0.499 415 N N -0.058 118.765 118.700 0.205 0.000 2.411 415 N HA 0.318 5.057 4.740 -0.003 0.000 0.265 415 N C 1.115 176.572 175.510 -0.088 0.000 1.266 415 N CA 1.950 55.073 53.050 0.122 0.000 0.889 415 N CB 0.138 38.617 38.487 -0.014 0.000 1.069 415 N HN 1.505 nan 8.380 nan 0.000 0.476 416 G N 2.034 110.683 108.800 -0.252 0.000 2.179 416 G HA2 -0.297 3.661 3.960 -0.003 0.000 0.260 416 G HA3 -0.297 3.661 3.960 -0.003 0.000 0.260 416 G C 0.033 175.036 174.900 0.172 0.000 0.977 416 G CA 0.392 45.290 45.100 -0.337 0.000 0.641 416 G HN 0.719 nan 8.290 nan 0.000 0.533 417 E N 1.503 121.820 120.200 0.195 0.000 2.266 417 E HA 0.552 4.900 4.350 -0.003 0.000 0.277 417 E C -2.212 174.488 176.600 0.167 0.000 1.018 417 E CA -2.022 54.471 56.400 0.154 0.000 0.840 417 E CB 1.991 31.714 29.700 0.038 0.000 1.082 417 E HN 0.246 nan 8.360 nan 0.000 0.395 418 P HA 0.204 nan 4.420 nan 0.000 0.287 418 P C -0.590 176.497 177.300 -0.354 0.000 1.290 418 P CA -0.761 61.983 63.100 -0.594 0.000 0.889 418 P CB 0.903 31.757 31.700 -1.411 0.000 1.190 419 c N 0.056 118.444 118.600 -0.355 0.000 2.539 419 c HA 0.628 5.196 4.570 -0.003 0.000 0.392 419 c C 0.432 174.422 174.090 -0.167 0.000 1.269 419 c CA -0.362 55.858 56.329 -0.182 0.000 2.250 419 c CB -0.979 41.458 42.510 -0.122 0.000 2.584 419 c HN 0.596 nan 8.230 nan 0.000 0.589 420 N N 2.098 120.753 118.700 -0.074 0.000 2.690 420 N HA 0.478 5.217 4.740 -0.003 0.000 0.255 420 N C -1.040 174.504 175.510 0.058 0.000 1.195 420 N CA -0.303 52.745 53.050 -0.003 0.000 0.790 420 N CB 0.143 38.627 38.487 -0.005 0.000 1.216 420 N HN 0.830 nan 8.380 nan 0.000 0.528 421 L N 1.262 122.529 121.223 0.073 0.000 2.352 421 L HA 0.705 5.043 4.340 -0.003 0.000 0.269 421 L C -0.665 176.301 176.870 0.160 0.000 1.034 421 L CA -1.071 53.824 54.840 0.092 0.000 0.806 421 L CB 1.282 43.359 42.059 0.030 0.000 1.244 421 L HN 0.297 nan 8.230 nan 0.000 0.447 422 F N 0.543 120.457 119.950 -0.060 0.000 2.604 422 F HA 0.356 4.881 4.527 -0.002 0.000 0.316 422 F C -0.648 175.028 175.800 -0.207 0.000 1.136 422 F CA -0.493 57.408 58.000 -0.164 0.000 0.989 422 F CB 1.978 40.875 39.000 -0.172 0.000 1.258 422 F HN 0.450 nan 8.300 nan 0.000 0.451 423 E N 3.790 123.653 120.200 -0.562 0.000 2.179 423 E HA 0.710 5.059 4.350 -0.003 0.000 0.275 423 E C -1.739 174.419 176.600 -0.738 0.000 0.945 423 E CA -0.702 55.359 56.400 -0.565 0.000 0.792 423 E CB 1.859 31.158 29.700 -0.669 0.000 1.125 423 E HN 0.456 nan 8.360 nan 0.000 0.397 424 V N 4.764 124.260 119.914 -0.696 0.000 2.540 424 V HA 0.378 4.497 4.120 -0.003 0.000 0.302 424 V C -0.996 174.589 176.094 -0.849 0.000 1.035 424 V CA -0.695 61.152 62.300 -0.756 0.000 0.873 424 V CB 1.233 32.539 31.823 -0.862 0.000 0.992 424 V HN 0.602 nan 8.190 nan 0.000 0.428 425 F N 5.685 125.415 119.950 -0.366 0.000 2.310 425 F HA 0.406 4.932 4.527 -0.002 0.000 0.365 425 F C -1.525 174.026 175.800 -0.415 0.000 1.080 425 F CA -2.433 55.364 58.000 -0.338 0.000 1.187 425 F CB 0.996 39.828 39.000 -0.280 0.000 1.465 425 F HN 0.364 nan 8.300 nan 0.000 0.496 426 P HA -0.276 nan 4.420 nan 0.000 0.217 426 P C 2.071 179.111 177.300 -0.433 0.000 1.158 426 P CA 1.200 63.867 63.100 -0.723 0.000 0.887 426 P CB 0.362 30.941 31.700 -1.868 0.000 0.792 427 L N -1.042 120.014 121.223 -0.277 0.000 2.046 427 L HA -0.138 4.201 4.340 -0.003 0.000 0.208 427 L C 2.270 179.123 176.870 -0.029 0.000 1.077 427 L CA 1.755 56.626 54.840 0.051 0.000 0.747 427 L CB -1.120 41.028 42.059 0.149 0.000 0.896 427 L HN -0.109 nan 8.230 nan 0.000 0.432 428 I N -0.811 119.675 120.570 -0.139 0.000 2.202 428 I HA -0.260 3.908 4.170 -0.003 0.000 0.242 428 I C 2.574 178.642 176.117 -0.082 0.000 1.091 428 I CA 1.069 62.220 61.300 -0.247 0.000 1.368 428 I CB -0.672 37.087 38.000 -0.402 0.000 1.058 428 I HN 0.326 nan 8.210 nan 0.000 0.410 429 A N 0.600 123.374 122.820 -0.077 0.000 1.908 429 A HA -0.240 4.078 4.320 -0.003 0.000 0.218 429 A C 2.225 179.916 177.584 0.179 0.000 1.181 429 A CA 1.788 53.817 52.037 -0.014 0.000 0.627 429 A CB -0.619 18.268 19.000 -0.189 0.000 0.818 429 A HN 0.447 nan 8.150 nan 0.000 0.445 430 E N -0.350 119.921 120.200 0.119 0.000 2.077 430 E HA -0.205 4.144 4.350 -0.003 0.000 0.193 430 E C 1.962 178.656 176.600 0.156 0.000 0.989 430 E CA 1.352 57.856 56.400 0.173 0.000 0.800 430 E CB -0.227 29.588 29.700 0.192 0.000 0.746 430 E HN 0.737 nan 8.360 nan 0.000 0.452 431 E N 0.527 120.799 120.200 0.121 0.000 2.204 431 E HA -0.146 4.203 4.350 -0.003 0.000 0.195 431 E C 1.678 178.357 176.600 0.131 0.000 0.990 431 E CA 0.529 56.997 56.400 0.113 0.000 0.821 431 E CB 0.098 29.854 29.700 0.094 0.000 0.750 431 E HN 0.181 nan 8.360 nan 0.000 0.477 432 Q N -0.459 119.448 119.800 0.178 0.000 2.322 432 Q HA 0.054 4.393 4.340 -0.003 0.000 0.203 432 Q C 0.897 176.991 176.000 0.158 0.000 0.923 432 Q CA 0.592 56.527 55.803 0.220 0.000 0.949 432 Q CB 1.087 30.029 28.738 0.339 0.000 1.039 432 Q HN 0.424 nan 8.270 nan 0.000 0.496 433 G N 0.454 109.329 108.800 0.125 0.000 2.143 433 G HA2 -0.232 3.726 3.960 -0.003 0.000 0.248 433 G HA3 -0.232 3.726 3.960 -0.003 0.000 0.248 433 G C -0.483 174.390 174.900 -0.045 0.000 0.991 433 G CA -0.063 45.045 45.100 0.013 0.000 0.689 433 G HN 0.265 nan 8.290 nan 0.000 0.522 434 W N 0.588 121.911 121.300 0.038 0.000 2.237 434 W HA 0.549 5.207 4.660 -0.003 0.000 0.335 434 W C 0.461 177.010 176.519 0.050 0.000 1.230 434 W CA -0.422 56.945 57.345 0.036 0.000 1.253 434 W CB 0.666 30.136 29.460 0.016 0.000 1.129 434 W HN 0.107 nan 8.180 nan 0.000 0.590 435 D N 2.588 123.171 120.400 0.305 0.000 2.317 435 D HA 0.045 4.684 4.640 -0.003 0.000 0.252 435 D C 0.916 177.381 176.300 0.275 0.000 1.174 435 D CA 0.034 54.169 54.000 0.224 0.000 0.866 435 D CB 1.179 42.078 40.800 0.166 0.000 1.127 435 D HN 0.424 nan 8.370 nan 0.000 0.467 436 L N 2.845 124.217 121.223 0.248 0.000 2.191 436 L HA -0.172 4.166 4.340 -0.003 0.000 0.212 436 L C 2.420 179.487 176.870 0.329 0.000 1.103 436 L CA 0.737 55.744 54.840 0.278 0.000 0.769 436 L CB -0.360 41.880 42.059 0.301 0.000 0.908 436 L HN 0.550 nan 8.230 nan 0.000 0.438 437 Q N 1.075 121.021 119.800 0.244 0.000 2.084 437 Q HA -0.287 4.051 4.340 -0.003 0.000 0.202 437 Q C 1.892 178.005 176.000 0.190 0.000 0.978 437 Q CA 2.137 58.064 55.803 0.206 0.000 0.844 437 Q CB -0.046 28.773 28.738 0.135 0.000 0.898 437 Q HN 0.636 nan 8.270 nan 0.000 0.426 438 E N -0.605 119.708 120.200 0.187 0.000 2.106 438 E HA -0.110 4.238 4.350 -0.003 0.000 0.192 438 E C 2.075 178.728 176.600 0.090 0.000 0.984 438 E CA 1.087 57.588 56.400 0.168 0.000 0.806 438 E CB 0.175 30.033 29.700 0.264 0.000 0.750 438 E HN 0.228 nan 8.360 nan 0.000 0.458 439 V N 0.471 120.410 119.914 0.043 0.000 2.295 439 V HA -0.240 3.878 4.120 -0.003 0.000 0.246 439 V C 2.015 177.932 176.094 -0.296 0.000 1.049 439 V CA 1.850 63.989 62.300 -0.268 0.000 1.024 439 V CB -0.627 30.953 31.823 -0.406 0.000 0.648 439 V HN 0.303 nan 8.190 nan 0.000 0.447 440 F N 0.499 120.406 119.950 -0.071 0.000 2.234 440 F HA -0.041 4.484 4.527 -0.003 0.000 0.299 440 F C 2.384 178.141 175.800 -0.072 0.000 1.087 440 F CA 1.186 59.158 58.000 -0.047 0.000 1.340 440 F CB -0.658 38.363 39.000 0.036 0.000 1.031 440 F HN 0.081 nan 8.300 nan 0.000 0.500 441 A N 0.076 122.948 122.820 0.087 0.000 1.930 441 A HA -0.105 4.214 4.320 -0.003 0.000 0.217 441 A C 2.184 179.711 177.584 -0.095 0.000 1.175 441 A CA 1.228 53.269 52.037 0.006 0.000 0.627 441 A CB -0.972 18.034 19.000 0.009 0.000 0.815 441 A HN 0.379 nan 8.150 nan 0.000 0.443 442 L N -0.815 120.323 121.223 -0.141 0.000 2.093 442 L HA -0.174 4.165 4.340 -0.003 0.000 0.208 442 L C 3.086 179.735 176.870 -0.368 0.000 1.085 442 L CA 0.945 55.657 54.840 -0.213 0.000 0.755 442 L CB -0.497 41.441 42.059 -0.201 0.000 0.904 442 L HN 0.442 nan 8.230 nan 0.000 0.435 443 A N 0.106 122.631 122.820 -0.492 0.000 1.877 443 A HA -0.184 4.135 4.320 -0.003 0.000 0.216 443 A C 2.543 179.854 177.584 -0.455 0.000 1.186 443 A CA 1.737 53.242 52.037 -0.887 0.000 0.620 443 A CB -0.792 17.870 19.000 -0.564 0.000 0.822 443 A HN 0.385 nan 8.150 nan 0.000 0.443 444 A N -0.225 122.497 122.820 -0.164 0.000 1.940 444 A HA -0.195 4.124 4.320 -0.003 0.000 0.219 444 A C 2.241 179.837 177.584 0.019 0.000 1.176 444 A CA 1.690 53.716 52.037 -0.018 0.000 0.631 444 A CB -0.453 18.573 19.000 0.042 0.000 0.814 444 A HN 0.575 nan 8.150 nan 0.000 0.446 445 R N -2.494 117.972 120.500 -0.056 0.000 2.115 445 R HA -0.071 4.268 4.340 -0.003 0.000 0.226 445 R C 2.128 178.479 176.300 0.084 0.000 1.100 445 R CA 1.361 57.448 56.100 -0.022 0.000 0.980 445 R CB -0.442 29.625 30.300 -0.388 0.000 0.875 445 R HN 0.690 nan 8.270 nan 0.000 0.445 446 Y N 1.400 121.593 120.300 -0.179 0.000 2.114 446 Y HA -0.190 4.359 4.550 -0.002 0.000 0.284 446 Y C 2.311 178.207 175.900 -0.007 0.000 1.143 446 Y CA 1.373 59.392 58.100 -0.134 0.000 1.135 446 Y CB -0.448 37.780 38.460 -0.385 0.000 0.980 446 Y HN 0.025 nan 8.280 nan 0.000 0.499 447 A N 0.113 123.084 122.820 0.253 0.000 1.902 447 A HA -0.224 4.095 4.320 -0.003 0.000 0.217 447 A C 2.179 179.854 177.584 0.152 0.000 1.181 447 A CA 2.023 54.200 52.037 0.232 0.000 0.623 447 A CB -0.731 18.368 19.000 0.165 0.000 0.818 447 A HN 0.434 nan 8.150 nan 0.000 0.443 448 K N 0.045 120.548 120.400 0.172 0.000 2.032 448 K HA -0.103 4.215 4.320 -0.003 0.000 0.209 448 K C 2.149 178.903 176.600 0.257 0.000 1.048 448 K CA 1.710 58.117 56.287 0.200 0.000 0.927 448 K CB -0.278 32.404 32.500 0.302 0.000 0.712 448 K HN 0.481 nan 8.250 nan 0.000 0.441 449 R N -0.397 120.248 120.500 0.242 0.000 2.120 449 R HA -0.078 4.260 4.340 -0.003 0.000 0.234 449 R C 2.138 178.548 176.300 0.183 0.000 1.123 449 R CA 1.298 57.533 56.100 0.224 0.000 0.975 449 R CB -0.428 29.906 30.300 0.057 0.000 0.866 449 R HN 0.034 nan 8.270 nan 0.000 0.446 450 V N 1.129 121.089 119.914 0.077 0.000 2.380 450 V HA -0.269 3.849 4.120 -0.003 0.000 0.251 450 V C 2.534 178.722 176.094 0.158 0.000 1.063 450 V CA 2.317 64.667 62.300 0.084 0.000 1.055 450 V CB -0.898 30.991 31.823 0.110 0.000 0.657 450 V HN 0.567 nan 8.190 nan 0.000 0.455 451 T N -2.632 111.993 114.554 0.118 0.000 3.098 451 T HA -0.115 4.233 4.350 -0.003 0.000 0.266 451 T C 1.210 175.855 174.700 -0.091 0.000 1.145 451 T CA 1.091 63.202 62.100 0.018 0.000 1.092 451 T CB -0.553 68.183 68.868 -0.220 0.000 0.908 451 T HN 0.425 nan 8.240 nan 0.000 0.526 452 F N 2.526 122.539 119.950 0.105 0.000 2.693 452 F HA 0.350 4.876 4.527 -0.003 0.000 0.303 452 F C 1.511 177.336 175.800 0.041 0.000 1.097 452 F CA -0.715 57.325 58.000 0.067 0.000 1.330 452 F CB 0.082 39.080 39.000 -0.003 0.000 1.067 452 F HN 0.225 nan 8.300 nan 0.000 0.565 453 S N -0.059 115.714 115.700 0.122 0.000 2.624 453 S HA 0.387 4.855 4.470 -0.003 0.000 0.263 453 S C -2.629 171.850 174.600 -0.203 0.000 1.287 453 S CA -1.423 56.739 58.200 -0.063 0.000 0.990 453 S CB 0.671 63.776 63.200 -0.158 0.000 0.950 453 S HN -0.161 nan 8.310 nan 0.000 0.561 454 P HA 0.322 nan 4.420 nan 0.000 0.276 454 P C -1.344 175.739 177.300 -0.362 0.000 1.235 454 P CA 0.023 63.020 63.100 -0.171 0.000 0.772 454 P CB 0.016 31.653 31.700 -0.105 0.000 0.871 455 Y N 1.028 121.386 120.300 0.097 0.000 2.393 455 Y HA 0.197 4.746 4.550 -0.003 0.000 0.341 455 Y C 1.284 177.244 175.900 0.099 0.000 0.988 455 Y CA -0.244 57.950 58.100 0.156 0.000 1.078 455 Y CB 1.508 40.098 38.460 0.217 0.000 1.203 455 Y HN 0.319 nan 8.280 nan 0.000 0.453 456 D N 1.696 122.217 120.400 0.202 0.000 2.149 456 D HA -0.087 4.552 4.640 -0.003 0.000 0.201 456 D C -0.432 175.819 176.300 -0.082 0.000 0.972 456 D CA 1.177 55.165 54.000 -0.020 0.000 0.835 456 D CB 0.101 40.795 40.800 -0.178 0.000 0.966 456 D HN 0.412 nan 8.370 nan 0.000 0.476 457 W N 1.437 122.816 121.300 0.131 0.000 2.365 457 W HA 0.284 4.942 4.660 -0.003 0.000 0.316 457 W C 1.658 178.251 176.519 0.123 0.000 1.164 457 W CA -0.713 56.717 57.345 0.142 0.000 1.204 457 W CB 0.826 30.428 29.460 0.236 0.000 1.213 457 W HN -0.137 nan 8.180 nan 0.000 0.539 458 E N 1.758 122.135 120.200 0.294 0.000 2.085 458 E HA -0.274 4.074 4.350 -0.003 0.000 0.194 458 E C 1.858 178.554 176.600 0.159 0.000 0.994 458 E CA 1.568 58.076 56.400 0.180 0.000 0.801 458 E CB 0.041 29.819 29.700 0.128 0.000 0.743 458 E HN 0.554 nan 8.360 nan 0.000 0.453 459 I N 0.717 121.389 120.570 0.170 0.000 2.264 459 I HA -0.255 3.913 4.170 -0.003 0.000 0.248 459 I C 2.106 178.261 176.117 0.064 0.000 1.111 459 I CA 1.418 62.752 61.300 0.057 0.000 1.382 459 I CB -0.217 37.744 38.000 -0.064 0.000 1.060 459 I HN 0.011 nan 8.210 nan 0.000 0.418 460 S N 0.409 116.214 115.700 0.176 0.000 2.355 460 S HA -0.114 4.355 4.470 -0.003 0.000 0.222 460 S C 2.048 176.661 174.600 0.021 0.000 1.031 460 S CA 1.021 59.320 58.200 0.165 0.000 0.993 460 S CB -0.347 63.092 63.200 0.398 0.000 0.859 460 S HN 0.447 nan 8.310 nan 0.000 0.453 461 R N 1.180 121.738 120.500 0.097 0.000 2.105 461 R HA -0.085 4.253 4.340 -0.003 0.000 0.239 461 R C 2.282 178.578 176.300 -0.008 0.000 1.135 461 R CA 1.322 57.452 56.100 0.050 0.000 0.967 461 R CB -0.298 30.075 30.300 0.122 0.000 0.861 461 R HN 0.552 nan 8.270 nan 0.000 0.442 462 E N 0.383 120.587 120.200 0.007 0.000 2.047 462 E HA -0.182 4.167 4.350 -0.003 0.000 0.191 462 E C 1.944 178.517 176.600 -0.046 0.000 0.987 462 E CA 0.909 57.300 56.400 -0.015 0.000 0.799 462 E CB -0.125 29.573 29.700 -0.003 0.000 0.752 462 E HN 0.147 nan 8.360 nan 0.000 0.449 463 I N 1.119 121.658 120.570 -0.051 0.000 2.394 463 I HA -0.180 3.988 4.170 -0.003 0.000 0.251 463 I C 1.937 177.988 176.117 -0.109 0.000 1.136 463 I CA 0.983 62.242 61.300 -0.069 0.000 1.425 463 I CB 0.055 38.024 38.000 -0.053 0.000 1.079 463 I HN 0.049 nan 8.210 nan 0.000 0.425 464 I N -0.114 120.364 120.570 -0.153 0.000 2.353 464 I HA -0.257 3.912 4.170 -0.003 0.000 0.248 464 I C 2.412 178.412 176.117 -0.195 0.000 1.119 464 I CA 1.119 62.285 61.300 -0.223 0.000 1.417 464 I CB -0.425 37.345 38.000 -0.383 0.000 1.078 464 I HN 0.297 nan 8.210 nan 0.000 0.421 465 Q N 1.897 121.606 119.800 -0.151 0.000 2.124 465 Q HA -0.259 4.079 4.340 -0.003 0.000 0.202 465 Q C 2.034 177.969 176.000 -0.107 0.000 0.977 465 Q CA 1.923 57.648 55.803 -0.129 0.000 0.850 465 Q CB -0.251 28.442 28.738 -0.074 0.000 0.901 465 Q HN 0.377 nan 8.270 nan 0.000 0.429 466 K N -0.981 119.363 120.400 -0.092 0.000 2.044 466 K HA -0.061 4.258 4.320 -0.003 0.000 0.204 466 K C 1.278 177.823 176.600 -0.091 0.000 1.049 466 K CA 1.419 57.659 56.287 -0.078 0.000 0.945 466 K CB 0.058 32.519 32.500 -0.065 0.000 0.724 466 K HN 0.239 nan 8.250 nan 0.000 0.440 467 N N 0.356 118.990 118.700 -0.110 0.000 2.387 467 N HA 0.009 4.748 4.740 -0.003 0.000 0.176 467 N C -0.278 175.146 175.510 -0.143 0.000 1.022 467 N CA 0.292 53.270 53.050 -0.121 0.000 0.883 467 N CB 0.166 38.581 38.487 -0.120 0.000 1.019 467 N HN 0.056 nan 8.380 nan 0.000 0.435 468 R N 1.008 121.410 120.500 -0.164 0.000 3.502 468 R HA -0.205 4.133 4.340 -0.003 0.000 0.266 468 R C -0.129 176.078 176.300 -0.155 0.000 1.077 468 R CA 0.213 56.207 56.100 -0.176 0.000 0.718 468 R CB -2.204 28.002 30.300 -0.158 0.000 1.120 468 R HN 0.444 nan 8.270 nan 0.000 0.457 469 R N 1.401 121.808 120.500 -0.156 0.000 2.570 469 R HA 0.226 4.565 4.340 -0.003 0.000 0.277 469 R C 0.843 177.074 176.300 -0.115 0.000 1.039 469 R CA 0.261 56.267 56.100 -0.155 0.000 1.065 469 R CB 0.351 30.568 30.300 -0.139 0.000 0.964 469 R HN 0.395 nan 8.270 nan 0.000 0.428 470 I N -0.082 120.419 120.570 -0.114 0.000 2.785 470 I HA 0.655 4.823 4.170 -0.003 0.000 0.302 470 I C -0.251 175.854 176.117 -0.020 0.000 1.069 470 I CA -1.043 60.236 61.300 -0.036 0.000 1.045 470 I CB 2.585 40.588 38.000 0.004 0.000 1.236 470 I HN 0.631 nan 8.210 nan 0.000 0.429 471 G N 6.269 115.089 108.800 0.033 0.000 3.764 471 G HA2 0.502 4.460 3.960 -0.003 0.000 0.333 471 G HA3 0.502 4.460 3.960 -0.003 0.000 0.333 471 G C -0.609 174.362 174.900 0.118 0.000 1.551 471 G CA -0.257 44.873 45.100 0.050 0.000 0.995 471 G HN 0.377 nan 8.290 nan 0.000 0.485 472 I N 1.913 122.580 120.570 0.161 0.000 2.363 472 I HA 0.247 4.415 4.170 -0.003 0.000 0.292 472 I C 0.741 177.089 176.117 0.384 0.000 1.075 472 I CA -0.307 61.158 61.300 0.274 0.000 1.333 472 I CB 0.759 38.965 38.000 0.343 0.000 1.415 472 I HN 0.290 nan 8.210 nan 0.000 0.502 473 S N 7.235 123.099 115.700 0.273 0.000 2.565 473 S HA 0.643 5.112 4.470 -0.003 0.000 0.290 473 S C -0.391 174.292 174.600 0.137 0.000 1.150 473 S CA -0.689 57.655 58.200 0.240 0.000 1.058 473 S CB 1.145 64.379 63.200 0.056 0.000 1.032 473 S HN 0.589 nan 8.310 nan 0.000 0.510 474 M N 3.806 123.448 119.600 0.070 0.000 2.227 474 M HA 0.481 4.959 4.480 -0.003 0.000 0.335 474 M C -0.439 175.736 176.300 -0.209 0.000 1.053 474 M CA -0.077 55.102 55.300 -0.201 0.000 0.973 474 M CB 1.501 33.774 32.600 -0.546 0.000 1.623 474 M HN 0.690 nan 8.290 nan 0.000 0.434 475 S N 1.992 117.525 115.700 -0.277 0.000 2.751 475 S HA 0.808 5.276 4.470 -0.003 0.000 0.310 475 S C 0.476 175.095 174.600 0.032 0.000 1.128 475 S CA 0.233 58.361 58.200 -0.121 0.000 0.931 475 S CB 1.547 64.683 63.200 -0.106 0.000 1.177 475 S HN 1.155 nan 8.310 nan 0.000 0.530 476 G N 1.189 110.065 108.800 0.126 0.000 2.258 476 G HA2 -0.231 3.728 3.960 -0.003 0.000 0.274 476 G HA3 -0.231 3.728 3.960 -0.003 0.000 0.274 476 G C 0.647 175.587 174.900 0.065 0.000 1.021 476 G CA 0.799 45.959 45.100 0.101 0.000 0.798 476 G HN 0.644 nan 8.290 nan 0.000 0.507 477 I N -0.744 119.831 120.570 0.007 0.000 2.179 477 I HA -0.226 3.943 4.170 -0.003 0.000 0.242 477 I C 2.832 178.977 176.117 0.047 0.000 1.088 477 I CA 1.651 62.992 61.300 0.068 0.000 1.357 477 I CB -0.283 37.710 38.000 -0.013 0.000 1.051 477 I HN 0.213 nan 8.210 nan 0.000 0.409 478 Q N 0.605 120.339 119.800 -0.110 0.000 2.124 478 Q HA -0.195 4.143 4.340 -0.003 0.000 0.202 478 Q C 1.812 177.843 176.000 0.050 0.000 0.977 478 Q CA 1.446 57.165 55.803 -0.141 0.000 0.850 478 Q CB -0.554 27.967 28.738 -0.363 0.000 0.901 478 Q HN 0.534 nan 8.270 nan 0.000 0.429 479 D N -0.424 120.048 120.400 0.121 0.000 2.097 479 D HA -0.167 4.471 4.640 -0.003 0.000 0.195 479 D C 1.619 178.050 176.300 0.218 0.000 0.989 479 D CA 0.819 54.941 54.000 0.203 0.000 0.827 479 D CB -0.431 40.493 40.800 0.206 0.000 0.966 479 D HN 0.313 nan 8.370 nan 0.000 0.456 480 W N 1.815 123.117 121.300 0.003 0.000 2.355 480 W HA -0.091 4.567 4.660 -0.003 0.000 0.309 480 W C 2.147 178.657 176.519 -0.016 0.000 1.206 480 W CA 1.013 58.354 57.345 -0.007 0.000 1.284 480 W CB -0.681 28.764 29.460 -0.024 0.000 1.145 480 W HN -0.092 nan 8.180 nan 0.000 0.502 481 L N -0.014 121.179 121.223 -0.050 0.000 2.017 481 L HA -0.237 4.101 4.340 -0.003 0.000 0.208 481 L C 2.518 179.299 176.870 -0.148 0.000 1.073 481 L CA 1.375 56.063 54.840 -0.254 0.000 0.745 481 L CB -1.372 40.577 42.059 -0.184 0.000 0.894 481 L HN 0.069 nan 8.230 nan 0.000 0.432 482 L N -0.723 120.486 121.223 -0.024 0.000 2.083 482 L HA -0.167 4.172 4.340 -0.003 0.000 0.209 482 L C 2.401 179.281 176.870 0.017 0.000 1.083 482 L CA 2.033 56.888 54.840 0.025 0.000 0.752 482 L CB -0.618 41.510 42.059 0.115 0.000 0.899 482 L HN 0.164 nan 8.230 nan 0.000 0.433 483 T N -0.925 113.648 114.554 0.032 0.000 2.809 483 T HA -0.127 4.221 4.350 -0.003 0.000 0.260 483 T C 1.996 176.689 174.700 -0.012 0.000 1.039 483 T CA 1.414 63.537 62.100 0.038 0.000 1.141 483 T CB -0.158 68.766 68.868 0.092 0.000 0.869 483 T HN 0.311 nan 8.240 nan 0.000 0.437 484 R N 0.524 120.973 120.500 -0.085 0.000 2.073 484 R HA 0.127 4.466 4.340 -0.003 0.000 0.229 484 R C 2.045 178.249 176.300 -0.160 0.000 1.120 484 R CA 1.030 57.043 56.100 -0.145 0.000 0.967 484 R CB -0.162 29.942 30.300 -0.326 0.000 0.862 484 R HN 0.337 nan 8.270 nan 0.000 0.436 485 L N -1.451 119.654 121.223 -0.197 0.000 2.463 485 L HA 0.313 4.652 4.340 -0.003 0.000 0.219 485 L C 1.286 178.101 176.870 -0.091 0.000 1.088 485 L CA 0.545 55.290 54.840 -0.157 0.000 0.849 485 L CB 0.406 42.341 42.059 -0.206 0.000 1.012 485 L HN 0.601 nan 8.230 nan 0.000 0.468 486 G N 1.174 109.935 108.800 -0.066 0.000 2.175 486 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.244 486 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.244 486 G C 0.007 174.897 174.900 -0.017 0.000 0.982 486 G CA 0.321 45.406 45.100 -0.027 0.000 0.641 486 G HN 0.545 nan 8.290 nan 0.000 0.527 487 N N -1.646 117.032 118.700 -0.038 0.000 3.179 487 N HA 0.407 5.145 4.740 -0.003 0.000 0.250 487 N C -0.616 174.871 175.510 -0.039 0.000 1.507 487 N CA -1.135 51.901 53.050 -0.024 0.000 0.883 487 N CB 0.732 39.199 38.487 -0.033 0.000 1.435 487 N HN 0.191 nan 8.380 nan 0.000 0.532 488 R N -0.200 120.291 120.500 -0.013 0.000 2.577 488 R HA 0.236 4.575 4.340 -0.003 0.000 0.269 488 R C 1.116 177.367 176.300 -0.082 0.000 1.084 488 R CA -0.649 55.447 56.100 -0.006 0.000 1.163 488 R CB 1.213 31.562 30.300 0.082 0.000 1.100 488 R HN 0.417 nan 8.270 nan 0.000 0.547 489 V N 1.856 121.684 119.914 -0.142 0.000 2.515 489 V HA -0.079 4.040 4.120 -0.003 0.000 0.250 489 V C 0.489 176.525 176.094 -0.096 0.000 1.058 489 V CA 1.316 63.447 62.300 -0.281 0.000 1.064 489 V CB 0.387 31.809 31.823 -0.668 0.000 0.675 489 V HN 0.376 nan 8.190 nan 0.000 0.461 490 V N 1.810 121.718 119.914 -0.010 0.000 2.389 490 V HA 0.174 4.293 4.120 -0.003 0.000 0.264 490 V C 1.497 177.526 176.094 -0.108 0.000 1.049 490 V CA 0.739 63.009 62.300 -0.051 0.000 0.932 490 V CB 0.616 32.387 31.823 -0.087 0.000 1.011 490 V HN 0.662 nan 8.190 nan 0.000 0.475 491 T N 0.900 115.371 114.554 -0.139 0.000 3.060 491 T HA 0.495 4.843 4.350 -0.003 0.000 0.249 491 T C 0.727 175.360 174.700 -0.112 0.000 1.079 491 T CA 0.449 62.487 62.100 -0.103 0.000 1.013 491 T CB 0.427 69.247 68.868 -0.080 0.000 0.975 491 T HN 1.096 nan 8.240 nan 0.000 0.518 492 G N -0.009 108.659 108.800 -0.219 0.000 2.315 492 G HA2 0.463 4.422 3.960 -0.003 0.000 0.294 492 G HA3 0.463 4.422 3.960 -0.003 0.000 0.294 492 G C -2.145 172.533 174.900 -0.370 0.000 1.300 492 G CA -1.115 43.895 45.100 -0.151 0.000 0.843 492 G HN 0.142 nan 8.290 nan 0.000 0.527 493 F N 0.488 120.403 119.950 -0.059 0.000 2.577 493 F HA 0.755 5.281 4.527 -0.003 0.000 0.318 493 F C 0.412 176.169 175.800 -0.071 0.000 1.065 493 F CA -0.690 57.268 58.000 -0.070 0.000 0.929 493 F CB 2.849 41.814 39.000 -0.058 0.000 1.237 493 F HN 0.648 nan 8.300 nan 0.000 0.468 494 K N 0.402 120.866 120.400 0.106 0.000 2.435 494 K HA 0.516 4.834 4.320 -0.003 0.000 0.251 494 K C -1.750 174.841 176.600 -0.015 0.000 0.954 494 K CA -0.994 55.307 56.287 0.024 0.000 0.820 494 K CB 2.031 34.522 32.500 -0.015 0.000 1.292 494 K HN 0.326 nan 8.250 nan 0.000 0.436 495 D N 1.476 121.839 120.400 -0.062 0.000 2.389 495 D HA 0.240 4.879 4.640 -0.003 0.000 0.247 495 D C -0.617 175.547 176.300 -0.226 0.000 1.128 495 D CA 0.807 54.710 54.000 -0.161 0.000 0.884 495 D CB 1.031 41.740 40.800 -0.152 0.000 1.194 495 D HN 0.564 nan 8.370 nan 0.000 0.441 496 D N -0.045 120.108 120.400 -0.412 0.000 2.851 496 D HA 0.434 5.073 4.640 -0.003 0.000 0.339 496 D C -1.600 174.234 176.300 -0.776 0.000 1.347 496 D CA -0.460 53.299 54.000 -0.401 0.000 0.888 496 D CB 0.795 41.509 40.800 -0.143 0.000 1.431 496 D HN 0.126 nan 8.370 nan 0.000 0.509 497 F N 0.653 120.602 119.950 -0.000 0.000 2.588 497 F HA 0.250 4.776 4.527 -0.002 0.000 0.310 497 F C 0.392 176.180 175.800 -0.020 0.000 1.082 497 F CA -0.979 57.024 58.000 0.005 0.000 0.929 497 F CB 1.631 40.660 39.000 0.048 0.000 1.254 497 F HN 0.037 nan 8.300 nan 0.000 0.455 498 D N 4.557 125.040 120.400 0.139 0.000 2.493 498 D HA 0.014 4.652 4.640 -0.003 0.000 0.240 498 D C -1.462 174.841 176.300 0.005 0.000 1.142 498 D CA -0.965 53.063 54.000 0.048 0.000 0.872 498 D CB 1.558 42.377 40.800 0.031 0.000 1.173 498 D HN 0.243 nan 8.370 nan 0.000 0.467 499 P HA -0.103 nan 4.420 nan 0.000 0.228 499 P C 0.341 177.536 177.300 -0.176 0.000 1.151 499 P CA 1.169 64.211 63.100 -0.096 0.000 0.770 499 P CB 0.461 32.066 31.700 -0.159 0.000 0.786 500 E N -1.050 119.051 120.200 -0.166 0.000 2.406 500 E HA 0.007 4.356 4.350 -0.003 0.000 0.204 500 E C 1.701 178.096 176.600 -0.342 0.000 0.820 500 E CA 0.862 57.140 56.400 -0.203 0.000 1.136 500 E CB -0.077 29.621 29.700 -0.003 0.000 1.129 500 E HN 0.221 nan 8.360 nan 0.000 0.530 501 T N -2.410 112.013 114.554 -0.218 0.000 3.060 501 T HA 0.042 4.390 4.350 -0.003 0.000 0.249 501 T C 0.174 174.839 174.700 -0.059 0.000 1.079 501 T CA 0.346 62.375 62.100 -0.119 0.000 1.013 501 T CB -0.265 68.597 68.868 -0.010 0.000 0.975 501 T HN 0.247 nan 8.240 nan 0.000 0.518 502 H N 0.279 119.391 119.070 0.070 0.000 3.010 502 H HA -0.150 4.404 4.556 -0.003 0.000 0.272 502 H C 0.225 175.672 175.328 0.198 0.000 1.151 502 H CA 0.912 57.010 56.048 0.085 0.000 1.159 502 H CB -1.970 27.768 29.762 -0.040 0.000 1.295 502 H HN 0.701 nan 8.280 nan 0.000 0.344 503 E N 1.125 121.452 120.200 0.213 0.000 2.384 503 E HA 0.439 4.787 4.350 -0.003 0.000 0.266 503 E C 0.391 177.120 176.600 0.214 0.000 1.012 503 E CA 0.195 56.701 56.400 0.177 0.000 0.901 503 E CB 0.599 30.339 29.700 0.067 0.000 0.967 503 E HN 0.438 nan 8.360 nan 0.000 0.435 504 A N 5.551 128.476 122.820 0.175 0.000 2.488 504 A HA 0.410 4.728 4.320 -0.003 0.000 0.249 504 A C 0.082 177.574 177.584 -0.155 0.000 1.083 504 A CA -0.134 51.859 52.037 -0.075 0.000 0.768 504 A CB -0.318 18.660 19.000 -0.035 0.000 1.017 504 A HN 0.623 nan 8.150 nan 0.000 0.496 505 I N -0.983 119.426 120.570 -0.267 0.000 2.994 505 I HA 0.610 4.779 4.170 -0.003 0.000 0.306 505 I C -0.922 175.081 176.117 -0.190 0.000 1.195 505 I CA -1.317 59.868 61.300 -0.192 0.000 1.001 505 I CB 2.248 40.155 38.000 -0.154 0.000 1.244 505 I HN 0.227 nan 8.210 nan 0.000 0.437 506 K N 3.251 123.576 120.400 -0.125 0.000 2.240 506 K HA 0.569 4.887 4.320 -0.003 0.000 0.271 506 K C -0.994 175.679 176.600 0.123 0.000 1.018 506 K CA -0.647 55.619 56.287 -0.035 0.000 0.874 506 K CB 2.258 34.664 32.500 -0.157 0.000 1.098 506 K HN 0.499 nan 8.250 nan 0.000 0.458 507 V N 6.116 126.107 119.914 0.128 0.000 2.435 507 V HA 0.288 4.407 4.120 -0.003 0.000 0.290 507 V C -1.927 174.190 176.094 0.039 0.000 1.030 507 V CA -2.042 60.311 62.300 0.088 0.000 0.881 507 V CB 1.807 33.616 31.823 -0.023 0.000 0.983 507 V HN 0.629 nan 8.190 nan 0.000 0.445 508 P HA 0.198 nan 4.420 nan 0.000 0.272 508 P C -0.972 175.932 177.300 -0.660 0.000 1.223 508 P CA -0.048 62.636 63.100 -0.692 0.000 0.784 508 P CB 1.384 32.664 31.700 -0.701 0.000 0.923 509 V N 3.356 122.884 119.914 -0.643 0.000 2.448 509 V HA 0.288 4.407 4.120 -0.003 0.000 0.295 509 V C -0.379 175.480 176.094 -0.391 0.000 1.025 509 V CA -0.406 61.651 62.300 -0.405 0.000 0.859 509 V CB 0.665 32.351 31.823 -0.230 0.000 0.988 509 V HN 0.400 nan 8.190 nan 0.000 0.431 510 Y N 1.307 121.576 120.300 -0.052 0.000 2.457 510 Y HA 0.407 4.955 4.550 -0.003 0.000 0.333 510 Y C 0.533 176.367 175.900 -0.110 0.000 1.119 510 Y CA -1.478 56.571 58.100 -0.084 0.000 1.143 510 Y CB 0.794 39.283 38.460 0.048 0.000 1.230 510 Y HN 0.567 nan 8.280 nan 0.000 0.469 511 D N 1.938 122.340 120.400 0.003 0.000 2.371 511 D HA 0.016 4.655 4.640 -0.003 0.000 0.256 511 D C 0.475 176.742 176.300 -0.056 0.000 1.193 511 D CA 0.207 54.169 54.000 -0.063 0.000 0.881 511 D CB 0.906 41.627 40.800 -0.132 0.000 1.143 511 D HN 0.622 nan 8.370 nan 0.000 0.473 512 K N 3.188 123.566 120.400 -0.036 0.000 2.283 512 K HA -0.099 4.219 4.320 -0.003 0.000 0.202 512 K C 1.842 178.406 176.600 -0.060 0.000 1.048 512 K CA 0.635 56.899 56.287 -0.038 0.000 0.948 512 K CB 0.345 32.833 32.500 -0.020 0.000 0.742 512 K HN 0.384 nan 8.250 nan 0.000 0.458 513 R N 0.571 121.026 120.500 -0.075 0.000 2.092 513 R HA -0.038 4.300 4.340 -0.003 0.000 0.231 513 R C 2.376 178.608 176.300 -0.112 0.000 1.119 513 R CA 1.105 57.153 56.100 -0.086 0.000 0.970 513 R CB -0.303 29.936 30.300 -0.101 0.000 0.864 513 R HN 0.146 nan 8.270 nan 0.000 0.440 514 A N 1.286 124.017 122.820 -0.149 0.000 1.930 514 A HA -0.107 4.212 4.320 -0.003 0.000 0.217 514 A C 2.123 179.738 177.584 0.051 0.000 1.175 514 A CA 1.054 52.998 52.037 -0.155 0.000 0.627 514 A CB -0.403 18.385 19.000 -0.355 0.000 0.815 514 A HN 0.156 nan 8.150 nan 0.000 0.443 515 I N -0.622 119.947 120.570 -0.001 0.000 2.179 515 I HA -0.258 3.911 4.170 -0.003 0.000 0.242 515 I C 2.546 178.614 176.117 -0.081 0.000 1.088 515 I CA 1.896 63.098 61.300 -0.164 0.000 1.357 515 I CB -0.190 37.566 38.000 -0.408 0.000 1.051 515 I HN 0.261 nan 8.210 nan 0.000 0.409 516 K N 1.798 122.170 120.400 -0.046 0.000 2.026 516 K HA -0.180 4.139 4.320 -0.003 0.000 0.208 516 K C 2.192 178.815 176.600 0.039 0.000 1.048 516 K CA 1.904 58.191 56.287 -0.000 0.000 0.929 516 K CB -0.428 32.070 32.500 -0.005 0.000 0.713 516 K HN 0.410 nan 8.250 nan 0.000 0.439 517 M N -0.176 119.440 119.600 0.027 0.000 2.175 517 M HA -0.078 4.400 4.480 -0.003 0.000 0.264 517 M C 1.828 178.219 176.300 0.152 0.000 1.063 517 M CA 2.010 57.352 55.300 0.071 0.000 1.119 517 M CB -0.559 32.043 32.600 0.003 0.000 1.377 517 M HN -0.033 nan 8.290 nan 0.000 0.415 518 V N -1.513 118.503 119.914 0.171 0.000 2.591 518 V HA -0.129 3.990 4.120 -0.003 0.000 0.249 518 V C 1.870 178.134 176.094 0.284 0.000 1.053 518 V CA 2.121 64.568 62.300 0.245 0.000 1.068 518 V CB -1.186 30.809 31.823 0.285 0.000 0.689 518 V HN 0.466 nan 8.190 nan 0.000 0.462 519 D N 0.532 121.049 120.400 0.196 0.000 2.117 519 D HA -0.218 4.420 4.640 -0.003 0.000 0.197 519 D C 2.238 178.654 176.300 0.194 0.000 0.987 519 D CA 1.921 56.038 54.000 0.196 0.000 0.829 519 D CB -0.247 40.630 40.800 0.130 0.000 0.961 519 D HN 0.620 nan 8.370 nan 0.000 0.460 520 Q N -0.492 119.391 119.800 0.138 0.000 2.084 520 Q HA -0.111 4.227 4.340 -0.003 0.000 0.202 520 Q C 2.451 178.505 176.000 0.089 0.000 0.978 520 Q CA 0.970 56.835 55.803 0.103 0.000 0.844 520 Q CB -0.069 28.722 28.738 0.088 0.000 0.898 520 Q HN 0.412 nan 8.270 nan 0.000 0.426 521 L N -0.817 120.462 121.223 0.095 0.000 2.109 521 L HA -0.166 4.172 4.340 -0.003 0.000 0.207 521 L C 2.343 179.256 176.870 0.072 0.000 1.086 521 L CA 0.890 55.709 54.840 -0.034 0.000 0.760 521 L CB -0.490 41.371 42.059 -0.329 0.000 0.910 521 L HN 0.258 nan 8.230 nan 0.000 0.437 522 Y N 1.449 121.824 120.300 0.124 0.000 2.145 522 Y HA -0.262 4.287 4.550 -0.003 0.000 0.286 522 Y C 2.518 178.341 175.900 -0.128 0.000 1.145 522 Y CA 1.568 59.618 58.100 -0.083 0.000 1.148 522 Y CB -0.142 38.250 38.460 -0.113 0.000 0.981 522 Y HN -0.021 nan 8.280 nan 0.000 0.507 523 K N -0.040 120.297 120.400 -0.105 0.000 2.147 523 K HA -0.152 4.167 4.320 -0.003 0.000 0.205 523 K C 2.302 178.793 176.600 -0.182 0.000 1.049 523 K CA 1.018 57.196 56.287 -0.182 0.000 0.936 523 K CB -0.360 32.131 32.500 -0.015 0.000 0.722 523 K HN 0.431 nan 8.250 nan 0.000 0.446 524 A N 1.067 123.827 122.820 -0.099 0.000 1.898 524 A HA -0.104 4.215 4.320 -0.003 0.000 0.216 524 A C 2.374 179.916 177.584 -0.069 0.000 1.181 524 A CA 1.235 53.245 52.037 -0.044 0.000 0.620 524 A CB -0.527 18.491 19.000 0.030 0.000 0.819 524 A HN 0.060 nan 8.150 nan 0.000 0.442 525 V N -0.378 119.459 119.914 -0.128 0.000 2.358 525 V HA -0.214 3.904 4.120 -0.003 0.000 0.246 525 V C 2.579 178.541 176.094 -0.220 0.000 1.047 525 V CA 1.961 64.195 62.300 -0.111 0.000 1.035 525 V CB -0.691 31.054 31.823 -0.130 0.000 0.658 525 V HN 0.372 nan 8.190 nan 0.000 0.452 526 V N 0.040 119.660 119.914 -0.489 0.000 2.343 526 V HA -0.292 3.827 4.120 -0.003 0.000 0.247 526 V C 2.409 178.374 176.094 -0.216 0.000 1.051 526 V CA 2.393 64.372 62.300 -0.535 0.000 1.036 526 V CB -0.689 30.690 31.823 -0.740 0.000 0.654 526 V HN 0.569 nan 8.190 nan 0.000 0.451 527 K N 0.413 120.714 120.400 -0.166 0.000 2.026 527 K HA -0.193 4.126 4.320 -0.003 0.000 0.208 527 K C 2.201 178.786 176.600 -0.026 0.000 1.048 527 K CA 1.648 57.892 56.287 -0.073 0.000 0.929 527 K CB -0.370 32.098 32.500 -0.054 0.000 0.713 527 K HN 0.410 nan 8.250 nan 0.000 0.439 528 A N 1.209 124.016 122.820 -0.021 0.000 1.902 528 A HA -0.230 4.089 4.320 -0.003 0.000 0.217 528 A C 1.856 179.477 177.584 0.061 0.000 1.181 528 A CA 2.191 54.233 52.037 0.009 0.000 0.623 528 A CB -0.809 18.192 19.000 0.001 0.000 0.818 528 A HN 0.608 nan 8.150 nan 0.000 0.443 529 D N -0.875 119.570 120.400 0.075 0.000 2.117 529 D HA -0.159 4.479 4.640 -0.003 0.000 0.198 529 D C 2.126 178.500 176.300 0.122 0.000 0.982 529 D CA 1.601 55.685 54.000 0.140 0.000 0.828 529 D CB -0.196 40.714 40.800 0.183 0.000 0.967 529 D HN 0.602 nan 8.370 nan 0.000 0.464 530 Q N -0.184 119.658 119.800 0.071 0.000 2.084 530 Q HA -0.138 4.201 4.340 -0.003 0.000 0.202 530 Q C 1.637 177.678 176.000 0.067 0.000 0.978 530 Q CA 1.409 57.245 55.803 0.055 0.000 0.844 530 Q CB -0.027 28.722 28.738 0.019 0.000 0.898 530 Q HN 0.394 nan 8.270 nan 0.000 0.426 531 D N -0.238 120.205 120.400 0.071 0.000 2.097 531 D HA -0.162 4.476 4.640 -0.003 0.000 0.195 531 D C 1.682 178.074 176.300 0.153 0.000 0.989 531 D CA 1.020 55.068 54.000 0.081 0.000 0.827 531 D CB -0.265 40.568 40.800 0.054 0.000 0.966 531 D HN 0.200 nan 8.370 nan 0.000 0.456 532 Y N 1.815 122.120 120.300 0.009 0.000 2.200 532 Y HA -0.123 4.426 4.550 -0.002 0.000 0.290 532 Y C 2.467 178.381 175.900 0.023 0.000 1.137 532 Y CA 0.735 58.842 58.100 0.010 0.000 1.163 532 Y CB -0.416 38.053 38.460 0.015 0.000 0.988 532 Y HN -0.144 nan 8.280 nan 0.000 0.518 533 S N -0.242 115.514 115.700 0.094 0.000 2.382 533 S HA -0.168 4.301 4.470 -0.003 0.000 0.228 533 S C 1.973 176.577 174.600 0.007 0.000 1.027 533 S CA 1.461 59.666 58.200 0.009 0.000 0.991 533 S CB -0.192 63.028 63.200 0.034 0.000 0.823 533 S HN 0.244 nan 8.310 nan 0.000 0.469 534 K N 1.609 122.030 120.400 0.035 0.000 2.057 534 K HA -0.002 4.316 4.320 -0.003 0.000 0.206 534 K C 2.066 178.676 176.600 0.016 0.000 1.050 534 K CA 1.711 58.012 56.287 0.024 0.000 0.935 534 K CB -1.036 31.483 32.500 0.032 0.000 0.715 534 K HN 0.220 nan 8.250 nan 0.000 0.439 535 T N 1.094 115.671 114.554 0.038 0.000 2.746 535 T HA -0.064 4.285 4.350 -0.003 0.000 0.267 535 T C 1.556 176.238 174.700 -0.030 0.000 1.039 535 T CA 1.507 63.627 62.100 0.034 0.000 1.142 535 T CB -0.119 68.821 68.868 0.119 0.000 0.866 535 T HN 0.136 nan 8.240 nan 0.000 0.444 536 L N 0.015 121.177 121.223 -0.103 0.000 2.341 536 L HA 0.247 4.585 4.340 -0.003 0.000 0.214 536 L C 1.895 178.714 176.870 -0.084 0.000 1.115 536 L CA 0.469 55.202 54.840 -0.179 0.000 0.820 536 L CB -0.477 41.370 42.059 -0.354 0.000 0.944 536 L HN 0.474 nan 8.230 nan 0.000 0.452 537 G N 0.529 109.307 108.800 -0.037 0.000 2.160 537 G HA2 -0.273 3.685 3.960 -0.003 0.000 0.244 537 G HA3 -0.273 3.685 3.960 -0.003 0.000 0.244 537 G C 0.194 175.105 174.900 0.019 0.000 1.022 537 G CA 0.143 45.239 45.100 -0.007 0.000 0.741 537 G HN 0.476 nan 8.290 nan 0.000 0.508 538 C N -1.666 117.653 119.300 0.033 0.000 2.710 538 C HA 0.881 5.339 4.460 -0.003 0.000 0.367 538 C C 0.646 175.646 174.990 0.017 0.000 1.315 538 C CA -1.795 57.257 59.018 0.057 0.000 1.764 538 C CB 1.115 28.951 27.740 0.160 0.000 2.182 538 C HN 0.374 nan 8.230 nan 0.000 0.491 539 N N 1.378 120.074 118.700 -0.007 0.000 2.508 539 N HA 0.231 4.970 4.740 -0.003 0.000 0.264 539 N C -0.129 175.367 175.510 -0.023 0.000 1.216 539 N CA 0.138 53.174 53.050 -0.022 0.000 0.943 539 N CB 0.380 38.840 38.487 -0.045 0.000 1.113 539 N HN 0.716 nan 8.380 nan 0.000 0.447 540 E N 0.111 120.303 120.200 -0.014 0.000 2.392 540 E HA 0.100 4.449 4.350 -0.003 0.000 0.259 540 E C -0.151 176.414 176.600 -0.057 0.000 1.108 540 E CA -0.061 56.339 56.400 -0.000 0.000 0.916 540 E CB 0.598 30.319 29.700 0.034 0.000 0.989 540 E HN 0.392 nan 8.360 nan 0.000 0.432 541 S N 1.631 117.268 115.700 -0.106 0.000 2.533 541 S HA -0.012 4.457 4.470 -0.003 0.000 0.282 541 S C 1.164 175.559 174.600 -0.342 0.000 1.304 541 S CA -0.253 57.792 58.200 -0.258 0.000 1.063 541 S CB 0.467 63.441 63.200 -0.377 0.000 0.881 541 S HN 0.498 nan 8.310 nan 0.000 0.493 542 I N 1.554 121.977 120.570 -0.246 0.000 2.286 542 I HA -0.109 4.060 4.170 -0.003 0.000 0.248 542 I C 0.389 176.374 176.117 -0.221 0.000 1.115 542 I CA 1.463 62.654 61.300 -0.181 0.000 1.392 542 I CB 0.119 38.039 38.000 -0.133 0.000 1.065 542 I HN 0.376 nan 8.210 nan 0.000 0.418 543 K N -1.010 119.181 120.400 -0.347 0.000 2.480 543 K HA 0.372 4.690 4.320 -0.003 0.000 0.258 543 K C -0.633 175.662 176.600 -0.509 0.000 0.990 543 K CA -0.564 55.565 56.287 -0.263 0.000 0.857 543 K CB 1.602 34.036 32.500 -0.110 0.000 1.384 543 K HN -0.015 nan 8.250 nan 0.000 0.446 544 H N -1.723 117.311 119.070 -0.061 0.000 3.207 544 H HA 0.115 4.670 4.556 -0.003 0.000 0.237 544 H C 0.043 175.309 175.328 -0.102 0.000 0.959 544 H CA 0.230 56.225 56.048 -0.087 0.000 1.091 544 H CB 0.796 30.459 29.762 -0.164 0.000 1.447 544 H HN 0.643 nan 8.280 nan 0.000 0.477 545 T N -1.813 112.721 114.554 -0.032 0.000 2.930 545 T HA 0.682 5.031 4.350 -0.003 0.000 0.290 545 T C -0.020 174.595 174.700 -0.141 0.000 1.052 545 T CA -0.572 61.399 62.100 -0.216 0.000 1.017 545 T CB 2.942 71.277 68.868 -0.888 0.000 1.137 545 T HN 0.178 nan 8.240 nan 0.000 0.511 546 T N -0.652 113.918 114.554 0.027 0.000 2.658 546 T HA 0.567 4.916 4.350 -0.003 0.000 0.305 546 T C -2.105 172.779 174.700 0.307 0.000 1.551 546 T CA -0.534 61.629 62.100 0.105 0.000 0.985 546 T CB 1.401 70.304 68.868 0.058 0.000 1.731 546 T HN 0.797 nan 8.240 nan 0.000 0.486 547 V N 2.390 122.413 119.914 0.181 0.000 2.623 547 V HA 0.727 4.845 4.120 -0.003 0.000 0.304 547 V C -0.694 175.419 176.094 0.033 0.000 1.054 547 V CA -0.755 61.628 62.300 0.138 0.000 0.882 547 V CB 1.775 33.671 31.823 0.122 0.000 1.002 547 V HN 0.898 nan 8.190 nan 0.000 0.424 548 K N 6.506 126.900 120.400 -0.011 0.000 2.482 548 K HA 0.584 4.902 4.320 -0.003 0.000 0.251 548 K C -2.875 173.673 176.600 -0.087 0.000 0.936 548 K CA -1.810 54.453 56.287 -0.041 0.000 0.791 548 K CB 3.214 35.705 32.500 -0.015 0.000 1.213 548 K HN 0.418 nan 8.250 nan 0.000 0.428 549 P HA 0.122 nan 4.420 nan 0.000 0.232 549 P C -1.017 176.265 177.300 -0.031 0.000 1.814 549 P CA -0.383 62.626 63.100 -0.151 0.000 1.085 549 P CB 0.450 31.974 31.700 -0.293 0.000 1.901 550 S N 1.827 117.523 115.700 -0.007 0.000 2.498 550 S HA 0.224 4.692 4.470 -0.003 0.000 0.314 550 S C 1.920 176.552 174.600 0.054 0.000 1.141 550 S CA -0.180 58.037 58.200 0.029 0.000 1.087 550 S CB 0.344 63.559 63.200 0.026 0.000 1.178 550 S HN 0.468 nan 8.310 nan 0.000 0.533 551 G N 3.210 112.038 108.800 0.047 0.000 2.459 551 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.217 551 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.217 551 G C 1.401 176.324 174.900 0.039 0.000 1.183 551 G CA 1.337 46.461 45.100 0.041 0.000 0.776 551 G HN 0.611 nan 8.290 nan 0.000 0.552 552 T N 0.775 115.361 114.554 0.053 0.000 2.674 552 T HA -0.103 4.245 4.350 -0.003 0.000 0.265 552 T C 2.493 177.272 174.700 0.132 0.000 1.039 552 T CA 1.267 63.410 62.100 0.072 0.000 1.150 552 T CB -0.474 68.458 68.868 0.107 0.000 0.864 552 T HN 0.024 nan 8.240 nan 0.000 0.427 553 V N 1.804 121.815 119.914 0.161 0.000 2.407 553 V HA -0.159 3.960 4.120 -0.003 0.000 0.248 553 V C 2.869 179.033 176.094 0.118 0.000 1.055 553 V CA 1.594 63.986 62.300 0.153 0.000 1.049 553 V CB -1.158 30.730 31.823 0.108 0.000 0.662 553 V HN 0.558 nan 8.190 nan 0.000 0.455 554 A N -0.580 122.311 122.820 0.117 0.000 2.070 554 A HA -0.214 4.105 4.320 -0.003 0.000 0.220 554 A C 2.249 179.764 177.584 -0.116 0.000 1.159 554 A CA 1.654 53.684 52.037 -0.012 0.000 0.656 554 A CB -0.366 18.680 19.000 0.077 0.000 0.800 554 A HN 0.573 nan 8.150 nan 0.000 0.453 555 K N -0.354 120.025 120.400 -0.034 0.000 2.155 555 K HA 0.073 4.392 4.320 -0.003 0.000 0.203 555 K C 1.702 178.287 176.600 -0.025 0.000 1.052 555 K CA 0.877 57.141 56.287 -0.038 0.000 0.948 555 K CB -0.299 32.174 32.500 -0.044 0.000 0.728 555 K HN 0.470 nan 8.250 nan 0.000 0.448 556 L N 0.464 121.689 121.223 0.003 0.000 2.012 556 L HA -0.206 4.133 4.340 -0.003 0.000 0.210 556 L C 2.369 179.237 176.870 -0.004 0.000 1.073 556 L CA 1.504 56.388 54.840 0.073 0.000 0.748 556 L CB -0.498 41.576 42.059 0.024 0.000 0.891 556 L HN 0.194 nan 8.230 nan 0.000 0.431 557 A N -0.788 121.890 122.820 -0.236 0.000 2.275 557 A HA 0.312 4.631 4.320 -0.003 0.000 0.212 557 A C 1.654 179.155 177.584 -0.138 0.000 1.201 557 A CA 0.606 52.465 52.037 -0.295 0.000 0.843 557 A CB -0.287 18.234 19.000 -0.799 0.000 0.873 557 A HN 0.532 nan 8.150 nan 0.000 0.492 558 G N -1.217 107.519 108.800 -0.108 0.000 2.198 558 G HA2 0.064 4.022 3.960 -0.003 0.000 0.260 558 G HA3 0.064 4.022 3.960 -0.003 0.000 0.260 558 G C 0.355 175.249 174.900 -0.009 0.000 1.025 558 G CA 0.581 45.675 45.100 -0.011 0.000 0.769 558 G HN 1.526 nan 8.290 nan 0.000 0.507 559 A N -0.115 122.613 122.820 -0.154 0.000 2.282 559 A HA 0.870 5.188 4.320 -0.003 0.000 0.319 559 A C 0.959 178.545 177.584 0.003 0.000 1.121 559 A CA 0.596 52.577 52.037 -0.094 0.000 0.836 559 A CB 0.683 19.512 19.000 -0.285 0.000 1.146 559 A HN 1.881 nan 8.150 nan 0.000 0.494 560 S N 0.984 116.684 115.700 0.001 0.000 2.568 560 S HA 0.161 4.630 4.470 -0.003 0.000 0.282 560 S C -0.213 174.348 174.600 -0.066 0.000 1.338 560 S CA -0.232 57.857 58.200 -0.185 0.000 1.045 560 S CB 0.118 63.089 63.200 -0.382 0.000 0.873 560 S HN 0.617 nan 8.310 nan 0.000 0.516 561 E N 1.771 121.938 120.200 -0.054 0.000 2.223 561 E HA 0.450 4.799 4.350 -0.003 0.000 0.282 561 E C 1.371 177.871 176.600 -0.167 0.000 1.046 561 E CA 0.178 56.556 56.400 -0.036 0.000 0.857 561 E CB 0.469 30.181 29.700 0.021 0.000 1.055 561 E HN 0.936 nan 8.360 nan 0.000 0.409 562 G N 4.161 112.878 108.800 -0.138 0.000 2.660 562 G HA2 -0.411 3.548 3.960 -0.003 0.000 0.321 562 G HA3 -0.411 3.548 3.960 -0.003 0.000 0.321 562 G C 0.768 175.544 174.900 -0.207 0.000 1.246 562 G CA 1.010 45.988 45.100 -0.203 0.000 1.000 562 G HN 0.711 nan 8.290 nan 0.000 0.550 563 M N 0.058 119.500 119.600 -0.263 0.000 2.383 563 M HA 0.475 4.953 4.480 -0.003 0.000 0.247 563 M C 0.471 176.637 176.300 -0.224 0.000 1.117 563 M CA -0.144 55.034 55.300 -0.203 0.000 0.995 563 M CB 0.330 32.871 32.600 -0.099 0.000 1.480 563 M HN 0.385 nan 8.290 nan 0.000 0.485 564 H N 1.156 120.116 119.070 -0.184 0.000 2.771 564 H HA 0.306 4.861 4.556 -0.003 0.000 0.364 564 H C -0.764 174.375 175.328 -0.315 0.000 1.133 564 H CA -0.294 55.665 56.048 -0.149 0.000 1.423 564 H CB 0.182 29.924 29.762 -0.033 0.000 1.425 564 H HN 0.194 nan 8.280 nan 0.000 0.606 565 F N 0.452 120.437 119.950 0.058 0.000 2.380 565 F HA 0.161 4.687 4.527 -0.003 0.000 0.321 565 F C 1.402 177.181 175.800 -0.035 0.000 1.103 565 F CA -0.458 57.509 58.000 -0.055 0.000 1.067 565 F CB 0.618 39.573 39.000 -0.075 0.000 1.265 565 F HN 0.392 nan 8.300 nan 0.000 0.517 566 H N 0.901 120.116 119.070 0.242 0.000 2.707 566 H HA -0.049 4.505 4.556 -0.002 0.000 0.359 566 H C 0.600 176.085 175.328 0.261 0.000 1.113 566 H CA 0.339 56.543 56.048 0.260 0.000 1.422 566 H CB 0.615 30.584 29.762 0.346 0.000 1.443 566 H HN 0.786 nan 8.280 nan 0.000 0.591 567 Y N 1.653 122.131 120.300 0.296 0.000 2.224 567 Y HA -0.093 4.455 4.550 -0.003 0.000 0.289 567 Y C 1.030 177.072 175.900 0.237 0.000 1.146 567 Y CA 1.234 59.468 58.100 0.223 0.000 1.182 567 Y CB 0.497 39.059 38.460 0.171 0.000 0.983 567 Y HN 0.733 nan 8.280 nan 0.000 0.524 568 G N -2.751 106.228 108.800 0.298 0.000 2.632 568 G HA2 0.436 4.394 3.960 -0.003 0.000 0.292 568 G HA3 0.436 4.394 3.960 -0.003 0.000 0.292 568 G C -0.052 174.988 174.900 0.233 0.000 1.465 568 G CA -0.316 44.920 45.100 0.226 0.000 0.824 568 G HN 0.204 nan 8.290 nan 0.000 0.509 569 A N -0.121 122.774 122.820 0.124 0.000 1.902 569 A HA 0.260 4.579 4.320 -0.003 0.000 0.217 569 A C 0.460 177.633 177.584 -0.684 0.000 1.181 569 A CA 1.331 53.060 52.037 -0.514 0.000 0.623 569 A CB -0.371 18.243 19.000 -0.644 0.000 0.818 569 A HN 0.722 nan 8.150 nan 0.000 0.443 570 Y N -1.515 118.725 120.300 -0.099 0.000 2.406 570 Y HA 0.690 5.239 4.550 -0.002 0.000 0.340 570 Y C -0.355 175.583 175.900 0.062 0.000 0.975 570 Y CA -0.729 57.318 58.100 -0.088 0.000 1.056 570 Y CB 1.607 40.025 38.460 -0.070 0.000 1.210 570 Y HN 0.086 nan 8.280 nan 0.000 0.448 571 L N 3.675 125.053 121.223 0.258 0.000 2.409 571 L HA 0.604 4.943 4.340 -0.003 0.000 0.255 571 L C -1.326 175.710 176.870 0.276 0.000 1.027 571 L CA -1.142 53.853 54.840 0.259 0.000 0.834 571 L CB 2.438 44.644 42.059 0.246 0.000 1.426 571 L HN 0.402 nan 8.230 nan 0.000 0.411 572 I N 1.853 122.566 120.570 0.238 0.000 2.354 572 I HA 0.336 4.505 4.170 -0.003 0.000 0.286 572 I C -0.435 175.812 176.117 0.216 0.000 1.007 572 I CA -0.260 61.176 61.300 0.227 0.000 1.167 572 I CB 1.512 39.618 38.000 0.177 0.000 1.320 572 I HN 0.607 nan 8.210 nan 0.000 0.458 573 Q N 6.122 126.071 119.800 0.248 0.000 2.271 573 Q HA 0.483 4.822 4.340 -0.003 0.000 0.258 573 Q C -0.474 175.675 176.000 0.248 0.000 0.936 573 Q CA -0.740 55.182 55.803 0.197 0.000 0.909 573 Q CB 2.577 31.406 28.738 0.151 0.000 1.253 573 Q HN 0.442 nan 8.270 nan 0.000 0.440 574 R N 2.100 122.703 120.500 0.171 0.000 2.294 574 R HA 0.482 4.820 4.340 -0.003 0.000 0.319 574 R C -0.488 175.892 176.300 0.134 0.000 0.984 574 R CA -0.664 55.551 56.100 0.192 0.000 0.861 574 R CB 1.016 31.400 30.300 0.139 0.000 1.104 574 R HN 0.420 nan 8.270 nan 0.000 0.451 575 I N 3.609 124.306 120.570 0.212 0.000 2.404 575 I HA 0.349 4.518 4.170 -0.003 0.000 0.293 575 I C 0.400 176.534 176.117 0.029 0.000 0.992 575 I CA -0.801 60.512 61.300 0.023 0.000 1.149 575 I CB 1.593 39.581 38.000 -0.021 0.000 1.315 575 I HN 0.449 nan 8.210 nan 0.000 0.446 576 R N 5.624 126.024 120.500 -0.167 0.000 2.297 576 R HA 0.624 4.962 4.340 -0.003 0.000 0.308 576 R C -1.363 174.754 176.300 -0.305 0.000 1.029 576 R CA -0.399 55.650 56.100 -0.086 0.000 0.929 576 R CB 1.124 31.389 30.300 -0.059 0.000 1.046 576 R HN 0.267 nan 8.270 nan 0.000 0.461 577 F N 0.482 120.425 119.950 -0.011 0.000 2.551 577 F HA 0.265 4.790 4.527 -0.002 0.000 0.316 577 F C 0.611 176.399 175.800 -0.021 0.000 1.089 577 F CA -0.958 57.026 58.000 -0.026 0.000 0.915 577 F CB 1.756 40.745 39.000 -0.020 0.000 1.186 577 F HN 0.259 nan 8.300 nan 0.000 0.456 578 Q N 1.634 121.521 119.800 0.146 0.000 2.361 578 Q HA -0.011 4.328 4.340 -0.003 0.000 0.276 578 Q C 0.369 176.430 176.000 0.101 0.000 1.022 578 Q CA -0.051 55.802 55.803 0.083 0.000 0.898 578 Q CB 0.717 29.481 28.738 0.043 0.000 1.246 578 Q HN 0.578 nan 8.270 nan 0.000 0.410 579 D N 0.410 120.849 120.400 0.065 0.000 2.228 579 D HA -0.118 4.520 4.640 -0.003 0.000 0.203 579 D C 0.815 177.139 176.300 0.041 0.000 0.988 579 D CA 1.399 55.428 54.000 0.049 0.000 0.864 579 D CB 0.159 40.978 40.800 0.031 0.000 0.928 579 D HN 0.289 nan 8.370 nan 0.000 0.469 580 S N -0.046 115.679 115.700 0.042 0.000 2.577 580 S HA -0.025 4.443 4.470 -0.003 0.000 0.219 580 S C 0.272 174.902 174.600 0.050 0.000 0.962 580 S CA -0.469 57.753 58.200 0.037 0.000 0.921 580 S CB 0.379 63.595 63.200 0.027 0.000 0.789 580 S HN 0.209 nan 8.310 nan 0.000 0.497 581 D N 2.687 123.128 120.400 0.069 0.000 2.487 581 D HA 0.025 4.664 4.640 -0.003 0.000 0.243 581 D C -1.825 174.524 176.300 0.082 0.000 1.154 581 D CA -1.301 52.752 54.000 0.089 0.000 0.876 581 D CB 1.181 42.084 40.800 0.171 0.000 1.161 581 D HN 0.030 nan 8.370 nan 0.000 0.478 582 P HA -0.112 nan 4.420 nan 0.000 0.220 582 P C 1.340 178.839 177.300 0.332 0.000 1.144 582 P CA 0.845 64.086 63.100 0.234 0.000 0.800 582 P CB 0.213 32.111 31.700 0.331 0.000 0.772 583 L N -2.128 119.178 121.223 0.139 0.000 2.313 583 L HA -0.043 4.295 4.340 -0.003 0.000 0.214 583 L C 2.241 179.063 176.870 -0.080 0.000 1.119 583 L CA 0.493 55.343 54.840 0.018 0.000 0.809 583 L CB -0.621 41.316 42.059 -0.205 0.000 0.933 583 L HN -0.019 nan 8.230 nan 0.000 0.449 584 L N 0.469 121.609 121.223 -0.139 0.000 2.042 584 L HA -0.152 4.186 4.340 -0.003 0.000 0.210 584 L C -0.034 176.800 176.870 -0.059 0.000 1.076 584 L CA 1.503 56.236 54.840 -0.179 0.000 0.749 584 L CB -1.813 40.168 42.059 -0.130 0.000 0.893 584 L HN 0.261 nan 8.230 nan 0.000 0.432 585 P HA -0.194 nan 4.420 nan 0.000 0.215 585 P C 1.385 178.718 177.300 0.054 0.000 1.153 585 P CA 2.041 65.160 63.100 0.031 0.000 0.853 585 P CB 0.033 31.758 31.700 0.042 0.000 0.788 586 A N 0.138 123.031 122.820 0.122 0.000 1.877 586 A HA -0.128 4.190 4.320 -0.003 0.000 0.216 586 A C 2.490 180.141 177.584 0.111 0.000 1.186 586 A CA 1.385 53.515 52.037 0.156 0.000 0.620 586 A CB -1.625 17.580 19.000 0.342 0.000 0.822 586 A HN 0.108 nan 8.150 nan 0.000 0.443 587 L N -0.660 120.592 121.223 0.048 0.000 2.046 587 L HA -0.221 4.118 4.340 -0.003 0.000 0.208 587 L C 2.617 179.552 176.870 0.110 0.000 1.077 587 L CA 1.788 56.645 54.840 0.028 0.000 0.747 587 L CB -0.416 41.496 42.059 -0.245 0.000 0.896 587 L HN 0.358 nan 8.230 nan 0.000 0.432 588 K N -0.102 120.311 120.400 0.021 0.000 2.097 588 K HA -0.136 4.183 4.320 -0.003 0.000 0.206 588 K C 2.171 178.784 176.600 0.022 0.000 1.049 588 K CA 1.312 57.609 56.287 0.016 0.000 0.933 588 K CB -0.251 32.244 32.500 -0.009 0.000 0.717 588 K HN 0.288 nan 8.250 nan 0.000 0.442 589 A N 0.638 123.476 122.820 0.030 0.000 2.019 589 A HA -0.150 4.168 4.320 -0.003 0.000 0.219 589 A C 2.113 179.699 177.584 0.003 0.000 1.164 589 A CA 1.195 53.241 52.037 0.015 0.000 0.644 589 A CB -0.609 18.404 19.000 0.022 0.000 0.805 589 A HN 0.403 nan 8.150 nan 0.000 0.449 590 C N -1.908 117.410 119.300 0.031 0.000 2.618 590 C HA 0.456 4.915 4.460 -0.003 0.000 0.264 590 C C 2.031 176.917 174.990 -0.174 0.000 1.334 590 C CA 0.402 59.403 59.018 -0.029 0.000 1.731 590 C CB -0.693 27.091 27.740 0.073 0.000 1.852 590 C HN 0.995 nan 8.230 nan 0.000 0.566 591 G N -1.230 107.483 108.800 -0.145 0.000 2.192 591 G HA2 -0.186 3.773 3.960 -0.003 0.000 0.193 591 G HA3 -0.186 3.773 3.960 -0.003 0.000 0.193 591 G C -0.149 174.592 174.900 -0.265 0.000 0.999 591 G CA -0.503 44.467 45.100 -0.217 0.000 0.659 591 G HN 0.459 nan 8.290 nan 0.000 0.503 592 Y N 1.788 121.988 120.300 -0.167 0.000 2.511 592 Y HA 0.493 5.042 4.550 -0.002 0.000 0.332 592 Y C 1.549 177.345 175.900 -0.173 0.000 1.177 592 Y CA -0.099 57.859 58.100 -0.236 0.000 1.422 592 Y CB 0.482 38.705 38.460 -0.396 0.000 1.271 592 Y HN 0.095 nan 8.280 nan 0.000 0.550 593 R N 1.558 122.056 120.500 -0.004 0.000 2.490 593 R HA 0.365 4.703 4.340 -0.003 0.000 0.280 593 R C -0.113 176.187 176.300 -0.000 0.000 1.077 593 R CA -0.142 55.952 56.100 -0.010 0.000 1.065 593 R CB 0.638 30.932 30.300 -0.010 0.000 1.003 593 R HN 0.801 nan 8.270 nan 0.000 0.470 594 T N -0.989 113.564 114.554 -0.002 0.000 2.883 594 T HA 0.556 4.905 4.350 -0.003 0.000 0.296 594 T C -0.953 173.752 174.700 0.009 0.000 1.117 594 T CA -1.063 61.040 62.100 0.005 0.000 1.006 594 T CB 2.423 71.284 68.868 -0.011 0.000 1.191 594 T HN 0.741 nan 8.240 nan 0.000 0.508 595 E N 0.344 120.554 120.200 0.018 0.000 2.401 595 E HA 0.558 4.907 4.350 -0.003 0.000 0.280 595 E C -1.062 175.543 176.600 0.008 0.000 1.039 595 E CA -1.499 54.905 56.400 0.007 0.000 0.814 595 E CB 1.351 31.052 29.700 0.003 0.000 1.275 595 E HN 0.978 nan 8.360 nan 0.000 0.448 596 A N 1.772 124.588 122.820 -0.007 0.000 2.511 596 A HA 0.143 4.461 4.320 -0.003 0.000 0.242 596 A C -0.009 177.556 177.584 -0.032 0.000 1.069 596 A CA 0.176 52.206 52.037 -0.012 0.000 0.763 596 A CB 0.187 19.174 19.000 -0.022 0.000 1.001 596 A HN 0.597 nan 8.150 nan 0.000 0.498 597 D N 1.797 122.185 120.400 -0.021 0.000 2.390 597 D HA 0.153 4.791 4.640 -0.003 0.000 0.249 597 D C 1.201 177.427 176.300 -0.124 0.000 1.144 597 D CA -0.122 53.851 54.000 -0.045 0.000 0.880 597 D CB 0.475 41.285 40.800 0.016 0.000 1.182 597 D HN 0.452 nan 8.370 nan 0.000 0.451 598 I N 0.946 121.336 120.570 -0.301 0.000 3.419 598 I HA 0.006 4.175 4.170 -0.003 0.000 0.286 598 I C 0.313 176.195 176.117 -0.391 0.000 1.268 598 I CA 0.132 61.201 61.300 -0.385 0.000 1.414 598 I CB -0.159 37.532 38.000 -0.515 0.000 1.074 598 I HN 0.208 nan 8.210 nan 0.000 0.457 599 Y N 1.691 121.983 120.300 -0.014 0.000 2.458 599 Y HA 0.345 4.893 4.550 -0.002 0.000 0.254 599 Y C 0.487 176.370 175.900 -0.028 0.000 1.120 599 Y CA -0.246 57.840 58.100 -0.024 0.000 1.282 599 Y CB 0.115 38.556 38.460 -0.032 0.000 1.109 599 Y HN 0.050 nan 8.280 nan 0.000 0.526 600 T N 0.260 114.865 114.554 0.085 0.000 2.971 600 T HA 0.189 4.538 4.350 -0.003 0.000 0.304 600 T C -0.878 173.831 174.700 0.015 0.000 1.038 600 T CA -0.984 61.143 62.100 0.044 0.000 1.007 600 T CB 2.478 71.369 68.868 0.039 0.000 1.055 600 T HN 0.056 nan 8.240 nan 0.000 0.451 601 E N 2.475 122.680 120.200 0.008 0.000 2.398 601 E HA 0.073 4.422 4.350 -0.003 0.000 0.263 601 E C 0.023 176.627 176.600 0.007 0.000 1.046 601 E CA -0.251 56.151 56.400 0.002 0.000 0.908 601 E CB 0.262 29.962 29.700 -0.000 0.000 0.963 601 E HN 0.589 nan 8.360 nan 0.000 0.431 602 N N 2.240 120.944 118.700 0.007 0.000 2.714 602 N HA -0.156 4.583 4.740 -0.003 0.000 0.252 602 N C -1.373 174.151 175.510 0.023 0.000 1.014 602 N CA 1.400 54.458 53.050 0.013 0.000 0.735 602 N CB -1.183 37.312 38.487 0.013 0.000 0.924 602 N HN 0.428 nan 8.380 nan 0.000 0.540 603 T N -0.139 114.431 114.554 0.026 0.000 2.909 603 T HA 0.544 4.892 4.350 -0.003 0.000 0.299 603 T C -0.037 174.696 174.700 0.055 0.000 1.073 603 T CA -0.367 61.760 62.100 0.045 0.000 0.999 603 T CB 2.530 71.420 68.868 0.036 0.000 1.098 603 T HN -0.010 nan 8.240 nan 0.000 0.477 604 T N 1.330 115.942 114.554 0.096 0.000 2.861 604 T HA 0.484 4.833 4.350 -0.003 0.000 0.287 604 T C -0.492 174.306 174.700 0.163 0.000 1.003 604 T CA -0.438 61.721 62.100 0.099 0.000 0.977 604 T CB 0.791 69.707 68.868 0.079 0.000 0.996 604 T HN 0.706 nan 8.240 nan 0.000 0.448 605 C N 2.969 122.344 119.300 0.126 0.000 2.330 605 C HA 0.710 5.169 4.460 -0.003 0.000 0.344 605 C C 0.277 175.365 174.990 0.164 0.000 1.273 605 C CA -0.715 58.400 59.018 0.162 0.000 1.879 605 C CB 0.102 27.908 27.740 0.109 0.000 2.376 605 C HN 0.671 nan 8.230 nan 0.000 0.534 606 V N 3.786 123.852 119.914 0.255 0.000 2.417 606 V HA 0.323 4.442 4.120 -0.003 0.000 0.291 606 V C -0.061 176.126 176.094 0.155 0.000 1.024 606 V CA -0.428 61.950 62.300 0.131 0.000 0.861 606 V CB 1.439 33.323 31.823 0.102 0.000 0.985 606 V HN 0.837 nan 8.190 nan 0.000 0.436 607 E N 4.223 124.436 120.200 0.022 0.000 2.167 607 E HA 0.436 4.785 4.350 -0.003 0.000 0.284 607 E C -1.497 175.117 176.600 0.023 0.000 1.016 607 E CA -0.208 56.253 56.400 0.101 0.000 0.817 607 E CB 1.166 30.917 29.700 0.084 0.000 1.080 607 E HN 0.504 nan 8.360 nan 0.000 0.397 608 F N 4.203 124.269 119.950 0.193 0.000 2.403 608 F HA 0.306 4.832 4.527 -0.002 0.000 0.355 608 F C -2.169 173.763 175.800 0.219 0.000 1.119 608 F CA -2.805 55.341 58.000 0.243 0.000 1.007 608 F CB 1.342 40.449 39.000 0.178 0.000 1.194 608 F HN 0.220 nan 8.300 nan 0.000 0.443 609 P HA 0.353 nan 4.420 nan 0.000 0.276 609 P C -0.619 176.981 177.300 0.500 0.000 1.235 609 P CA 0.038 63.343 63.100 0.342 0.000 0.772 609 P CB 0.919 32.684 31.700 0.109 0.000 0.871 610 I N 2.345 123.219 120.570 0.507 0.000 2.571 610 I HA 0.345 4.514 4.170 -0.003 0.000 0.289 610 I C -0.024 176.101 176.117 0.014 0.000 1.115 610 I CA -0.887 60.615 61.300 0.336 0.000 1.045 610 I CB 2.561 40.685 38.000 0.206 0.000 1.238 610 I HN 0.156 nan 8.210 nan 0.000 0.424 611 K N 5.514 125.731 120.400 -0.304 0.000 2.235 611 K HA 0.774 5.093 4.320 -0.003 0.000 0.266 611 K C -0.394 175.924 176.600 -0.469 0.000 0.980 611 K CA -0.336 55.548 56.287 -0.670 0.000 0.849 611 K CB 1.645 33.580 32.500 -0.941 0.000 1.098 611 K HN 0.727 nan 8.250 nan 0.000 0.445 612 A N 3.253 125.708 122.820 -0.608 0.000 2.366 612 A HA 0.243 4.561 4.320 -0.003 0.000 0.249 612 A C -0.219 177.089 177.584 -0.459 0.000 1.084 612 A CA -0.611 51.060 52.037 -0.611 0.000 0.794 612 A CB 0.580 19.042 19.000 -0.897 0.000 1.034 612 A HN 0.581 nan 8.150 nan 0.000 0.491 613 V N 1.467 121.242 119.914 -0.231 0.000 2.599 613 V HA 0.370 4.489 4.120 -0.003 0.000 0.300 613 V C 1.600 177.662 176.094 -0.052 0.000 1.034 613 V CA 1.724 63.988 62.300 -0.060 0.000 1.115 613 V CB 0.088 31.971 31.823 0.100 0.000 0.934 613 V HN 1.954 nan 8.190 nan 0.000 0.485 614 G N 4.135 112.886 108.800 -0.081 0.000 2.153 614 G HA2 -0.239 3.720 3.960 -0.003 0.000 0.252 614 G HA3 -0.239 3.720 3.960 -0.003 0.000 0.252 614 G C 0.995 175.736 174.900 -0.265 0.000 0.994 614 G CA 0.459 45.531 45.100 -0.047 0.000 0.698 614 G HN 1.438 nan 8.290 nan 0.000 0.521 615 A N -0.127 122.327 122.820 -0.610 0.000 2.032 615 A HA -0.011 4.307 4.320 -0.003 0.000 0.221 615 A C 1.859 179.127 177.584 -0.527 0.000 1.165 615 A CA 2.229 53.649 52.037 -1.028 0.000 0.645 615 A CB -0.186 18.116 19.000 -1.163 0.000 0.807 615 A HN 0.433 nan 8.150 nan 0.000 0.453 616 D N -0.672 119.581 120.400 -0.245 0.000 2.349 616 D HA 0.020 4.659 4.640 -0.003 0.000 0.214 616 D C 0.109 176.399 176.300 -0.017 0.000 1.063 616 D CA -0.072 53.881 54.000 -0.079 0.000 0.847 616 D CB -0.153 40.632 40.800 -0.025 0.000 0.933 616 D HN 0.315 nan 8.370 nan 0.000 0.513 617 N N 2.187 120.889 118.700 0.002 0.000 2.488 617 N HA 0.045 4.783 4.740 -0.003 0.000 0.274 617 N C -1.530 174.043 175.510 0.105 0.000 1.111 617 N CA -1.476 51.611 53.050 0.063 0.000 0.974 617 N CB 2.075 40.618 38.487 0.093 0.000 1.089 617 N HN -0.131 nan 8.380 nan 0.000 0.465 618 P HA -0.075 nan 4.420 nan 0.000 0.225 618 P C 0.163 177.517 177.300 0.091 0.000 1.148 618 P CA 0.938 64.085 63.100 0.078 0.000 0.779 618 P CB 0.476 32.205 31.700 0.048 0.000 0.780 619 N N -0.776 117.982 118.700 0.097 0.000 2.398 619 N HA 0.019 4.758 4.740 -0.003 0.000 0.188 619 N C 0.248 175.830 175.510 0.120 0.000 1.122 619 N CA -0.144 52.955 53.050 0.082 0.000 0.866 619 N CB -0.445 38.076 38.487 0.058 0.000 0.970 619 N HN 0.203 nan 8.380 nan 0.000 0.462 620 F N 2.034 122.003 119.950 0.031 0.000 2.471 620 F HA 0.370 4.895 4.527 -0.002 0.000 0.353 620 F C 0.044 175.869 175.800 0.041 0.000 1.113 620 F CA -0.903 57.129 58.000 0.053 0.000 1.262 620 F CB 0.591 39.599 39.000 0.013 0.000 1.146 620 F HN -0.079 nan 8.300 nan 0.000 0.578 621 A N 4.477 126.811 122.820 -0.809 0.000 2.398 621 A HA 0.590 4.909 4.320 -0.003 0.000 0.301 621 A C -0.760 176.357 177.584 -0.779 0.000 1.041 621 A CA -0.334 51.331 52.037 -0.620 0.000 0.711 621 A CB 0.822 19.535 19.000 -0.477 0.000 1.240 621 A HN 0.917 nan 8.150 nan 0.000 0.420 622 S N 1.466 116.883 115.700 -0.471 0.000 2.632 622 S HA 0.566 5.035 4.470 -0.003 0.000 0.271 622 S C 1.375 175.850 174.600 -0.208 0.000 1.260 622 S CA -0.043 58.019 58.200 -0.231 0.000 1.010 622 S CB 1.472 64.633 63.200 -0.065 0.000 0.965 622 S HN 1.859 nan 8.310 nan 0.000 0.534 623 A N 2.405 125.202 122.820 -0.039 0.000 1.903 623 A HA -0.001 4.318 4.320 -0.003 0.000 0.219 623 A C 2.176 179.689 177.584 -0.119 0.000 1.191 623 A CA 2.008 54.053 52.037 0.014 0.000 0.638 623 A CB -1.831 17.296 19.000 0.211 0.000 0.823 623 A HN 1.216 nan 8.150 nan 0.000 0.451 624 G N -1.361 107.316 108.800 -0.205 0.000 2.509 624 G HA2 -0.068 3.890 3.960 -0.003 0.000 0.218 624 G HA3 -0.068 3.890 3.960 -0.003 0.000 0.218 624 G C 1.483 176.102 174.900 -0.467 0.000 1.124 624 G CA 1.842 46.568 45.100 -0.624 0.000 0.776 624 G HN 0.797 nan 8.290 nan 0.000 0.547 625 T N -2.051 112.313 114.554 -0.316 0.000 3.060 625 T HA 0.301 4.649 4.350 -0.003 0.000 0.249 625 T C 0.651 175.196 174.700 -0.259 0.000 1.079 625 T CA -0.217 61.729 62.100 -0.256 0.000 1.013 625 T CB 0.269 69.019 68.868 -0.198 0.000 0.975 625 T HN -0.094 nan 8.240 nan 0.000 0.518 626 V N 4.140 123.858 119.914 -0.327 0.000 2.488 626 V HA 0.410 4.529 4.120 -0.003 0.000 0.277 626 V C 0.949 176.934 176.094 -0.181 0.000 1.046 626 V CA -0.834 61.258 62.300 -0.348 0.000 0.986 626 V CB 0.572 32.009 31.823 -0.643 0.000 0.989 626 V HN 0.694 nan 8.190 nan 0.000 0.475 627 S N 4.996 120.632 115.700 -0.108 0.000 2.573 627 S HA 0.161 4.630 4.470 -0.003 0.000 0.277 627 S C 1.216 175.844 174.600 0.047 0.000 1.346 627 S CA -0.098 58.081 58.200 -0.034 0.000 1.034 627 S CB 0.540 63.719 63.200 -0.036 0.000 0.879 627 S HN 0.731 nan 8.310 nan 0.000 0.528 628 I N 1.634 122.258 120.570 0.090 0.000 2.394 628 I HA -0.096 4.072 4.170 -0.003 0.000 0.251 628 I C 2.377 178.659 176.117 0.274 0.000 1.136 628 I CA 1.587 63.010 61.300 0.206 0.000 1.425 628 I CB -0.792 37.339 38.000 0.217 0.000 1.079 628 I HN 0.885 nan 8.210 nan 0.000 0.425 629 A N 0.265 123.169 122.820 0.139 0.000 1.902 629 A HA -0.289 4.030 4.320 -0.003 0.000 0.217 629 A C 2.296 180.108 177.584 0.380 0.000 1.181 629 A CA 1.987 54.122 52.037 0.163 0.000 0.623 629 A CB -0.718 18.199 19.000 -0.139 0.000 0.818 629 A HN 0.629 nan 8.150 nan 0.000 0.443 630 E N -0.411 119.993 120.200 0.340 0.000 2.106 630 E HA -0.225 4.124 4.350 -0.003 0.000 0.192 630 E C 2.159 178.936 176.600 0.295 0.000 0.984 630 E CA 1.180 57.807 56.400 0.380 0.000 0.806 630 E CB -0.136 29.702 29.700 0.229 0.000 0.750 630 E HN 0.765 nan 8.360 nan 0.000 0.458 631 Q N -0.538 119.406 119.800 0.241 0.000 2.084 631 Q HA -0.164 4.175 4.340 -0.003 0.000 0.202 631 Q C 1.981 178.053 176.000 0.120 0.000 0.978 631 Q CA 1.466 57.393 55.803 0.207 0.000 0.844 631 Q CB -0.163 28.666 28.738 0.152 0.000 0.898 631 Q HN 0.310 nan 8.270 nan 0.000 0.426 632 F N 0.609 120.566 119.950 0.011 0.000 2.102 632 F HA -0.227 4.299 4.527 -0.003 0.000 0.298 632 F C 2.397 178.019 175.800 -0.297 0.000 1.105 632 F CA 1.241 59.105 58.000 -0.227 0.000 1.239 632 F CB -0.340 38.448 39.000 -0.353 0.000 0.991 632 F HN 0.073 nan 8.300 nan 0.000 0.474 633 A N -0.930 122.008 122.820 0.197 0.000 1.972 633 A HA -0.153 4.166 4.320 -0.003 0.000 0.219 633 A C 2.166 179.990 177.584 0.401 0.000 1.169 633 A CA 2.146 54.391 52.037 0.347 0.000 0.635 633 A CB -1.167 18.064 19.000 0.386 0.000 0.810 633 A HN 0.361 nan 8.150 nan 0.000 0.446 634 T N -0.643 114.085 114.554 0.290 0.000 2.770 634 T HA -0.151 4.198 4.350 -0.003 0.000 0.263 634 T C 2.081 176.901 174.700 0.201 0.000 1.039 634 T CA 1.445 63.701 62.100 0.260 0.000 1.142 634 T CB -0.234 68.780 68.868 0.245 0.000 0.868 634 T HN 0.660 nan 8.240 nan 0.000 0.435 635 Q N 0.813 120.673 119.800 0.099 0.000 2.096 635 Q HA -0.131 4.208 4.340 -0.003 0.000 0.204 635 Q C 2.463 178.497 176.000 0.056 0.000 0.982 635 Q CA 1.605 57.431 55.803 0.038 0.000 0.850 635 Q CB -0.319 28.371 28.738 -0.080 0.000 0.901 635 Q HN 0.529 nan 8.270 nan 0.000 0.422 636 A N 0.330 123.190 122.820 0.068 0.000 1.933 636 A HA -0.194 4.124 4.320 -0.003 0.000 0.218 636 A C 1.841 179.496 177.584 0.119 0.000 1.175 636 A CA 1.321 53.436 52.037 0.130 0.000 0.628 636 A CB -1.006 18.161 19.000 0.278 0.000 0.814 636 A HN 0.652 nan 8.150 nan 0.000 0.444 637 F N 0.743 120.697 119.950 0.006 0.000 2.069 637 F HA -0.191 4.334 4.527 -0.002 0.000 0.298 637 F C 1.882 177.664 175.800 -0.029 0.000 1.113 637 F CA 1.994 59.846 58.000 -0.247 0.000 1.214 637 F CB -0.364 38.307 39.000 -0.549 0.000 0.978 637 F HN 0.149 nan 8.300 nan 0.000 0.474 638 L N -0.087 121.143 121.223 0.012 0.000 2.083 638 L HA -0.216 4.122 4.340 -0.003 0.000 0.209 638 L C 2.501 179.339 176.870 -0.053 0.000 1.083 638 L CA 1.597 56.450 54.840 0.020 0.000 0.752 638 L CB -0.834 41.338 42.059 0.188 0.000 0.899 638 L HN 0.245 nan 8.230 nan 0.000 0.433 639 Q N -0.350 119.407 119.800 -0.072 0.000 2.224 639 Q HA -0.134 4.204 4.340 -0.003 0.000 0.203 639 Q C 1.939 177.802 176.000 -0.228 0.000 0.970 639 Q CA 1.898 57.634 55.803 -0.112 0.000 0.865 639 Q CB -0.093 28.604 28.738 -0.068 0.000 0.922 639 Q HN 0.367 nan 8.270 nan 0.000 0.445 640 T N -1.082 113.264 114.554 -0.347 0.000 2.852 640 T HA -0.005 4.343 4.350 -0.003 0.000 0.256 640 T C 0.643 174.858 174.700 -0.809 0.000 1.038 640 T CA 1.214 62.956 62.100 -0.597 0.000 1.141 640 T CB -0.165 68.243 68.868 -0.767 0.000 0.869 640 T HN 0.359 nan 8.240 nan 0.000 0.439 641 Y N -1.321 118.703 120.300 -0.460 0.000 2.442 641 Y HA 0.316 4.864 4.550 -0.003 0.000 0.250 641 Y C 1.878 177.616 175.900 -0.270 0.000 1.113 641 Y CA -0.874 56.974 58.100 -0.419 0.000 1.273 641 Y CB 0.537 38.646 38.460 -0.586 0.000 1.138 641 Y HN 0.305 nan 8.280 nan 0.000 0.522 642 W N -0.718 120.397 121.300 -0.309 0.000 3.772 642 W HA 0.279 4.938 4.660 -0.002 0.000 0.224 642 W C -0.013 176.391 176.519 -0.193 0.000 1.009 642 W CA 0.359 57.582 57.345 -0.202 0.000 1.889 642 W CB 0.012 29.427 29.460 -0.075 0.000 0.909 642 W HN -0.219 nan 8.180 nan 0.000 0.794 643 S N 2.443 117.896 115.700 -0.413 0.000 2.489 643 S HA 0.065 4.534 4.470 -0.003 0.000 0.277 643 S C 0.459 174.862 174.600 -0.329 0.000 1.230 643 S CA 0.065 57.999 58.200 -0.443 0.000 1.053 643 S CB 0.988 64.111 63.200 -0.128 0.000 0.955 643 S HN 0.303 nan 8.310 nan 0.000 0.488 644 D N 3.973 124.217 120.400 -0.260 0.000 2.360 644 D HA 0.078 4.716 4.640 -0.003 0.000 0.210 644 D C 0.721 176.978 176.300 -0.072 0.000 1.047 644 D CA 0.317 54.239 54.000 -0.130 0.000 0.854 644 D CB -0.035 40.776 40.800 0.019 0.000 0.936 644 D HN 0.327 nan 8.370 nan 0.000 0.514 645 N N 0.365 119.014 118.700 -0.084 0.000 2.586 645 N HA 0.538 5.277 4.740 -0.003 0.000 0.275 645 N C 0.153 175.626 175.510 -0.061 0.000 1.314 645 N CA -0.036 52.977 53.050 -0.063 0.000 0.820 645 N CB 0.244 38.699 38.487 -0.053 0.000 1.138 645 N HN 0.182 nan 8.380 nan 0.000 0.410 646 A N 0.022 122.816 122.820 -0.044 0.000 2.616 646 A HA 0.705 5.023 4.320 -0.003 0.000 0.253 646 A C -1.117 176.463 177.584 -0.008 0.000 1.239 646 A CA -0.374 51.643 52.037 -0.034 0.000 0.914 646 A CB 0.874 19.855 19.000 -0.033 0.000 1.454 646 A HN 0.191 nan 8.150 nan 0.000 0.460 647 V N 0.908 120.820 119.914 -0.002 0.000 2.447 647 V HA 0.445 4.564 4.120 -0.003 0.000 0.292 647 V C 0.013 176.109 176.094 0.003 0.000 1.021 647 V CA -0.431 61.880 62.300 0.018 0.000 0.850 647 V CB 1.168 33.006 31.823 0.026 0.000 1.005 647 V HN 0.857 nan 8.190 nan 0.000 0.426 648 S N 4.768 120.469 115.700 0.002 0.000 2.513 648 S HA 0.689 5.158 4.470 -0.003 0.000 0.276 648 S C -0.277 174.319 174.600 -0.006 0.000 1.254 648 S CA -0.152 58.048 58.200 0.000 0.000 1.053 648 S CB 0.262 63.463 63.200 0.001 0.000 0.958 648 S HN 1.323 nan 8.310 nan 0.000 0.491 649 C N 2.423 121.758 119.300 0.059 0.000 3.292 649 C HA 0.631 5.090 4.460 -0.003 0.000 0.368 649 C C -0.519 174.599 174.990 0.214 0.000 1.141 649 C CA -0.864 58.293 59.018 0.232 0.000 1.194 649 C CB 0.646 28.500 27.740 0.190 0.000 1.533 649 C HN 0.634 nan 8.230 nan 0.000 0.532 650 T N 3.019 117.737 114.554 0.274 0.000 2.753 650 T HA 0.484 4.832 4.350 -0.003 0.000 0.297 650 T C 0.042 174.733 174.700 -0.015 0.000 0.981 650 T CA 0.048 62.176 62.100 0.047 0.000 0.956 650 T CB 0.147 69.006 68.868 -0.015 0.000 0.936 650 T HN 0.588 nan 8.240 nan 0.000 0.463 651 I N 4.774 125.346 120.570 0.003 0.000 2.337 651 I HA 0.202 4.371 4.170 -0.003 0.000 0.291 651 I C 1.133 177.326 176.117 0.127 0.000 1.046 651 I CA -0.471 60.843 61.300 0.023 0.000 1.324 651 I CB 0.694 38.624 38.000 -0.118 0.000 1.409 651 I HN 0.590 nan 8.210 nan 0.000 0.494 652 T N 3.990 118.616 114.554 0.120 0.000 2.902 652 T HA 0.714 5.063 4.350 -0.003 0.000 0.283 652 T C -0.547 174.279 174.700 0.211 0.000 1.009 652 T CA -0.628 61.535 62.100 0.104 0.000 1.051 652 T CB 1.382 70.338 68.868 0.146 0.000 0.999 652 T HN 0.362 nan 8.240 nan 0.000 0.474 653 F N -0.641 119.395 119.950 0.142 0.000 2.578 653 F HA 0.663 5.188 4.527 -0.002 0.000 0.311 653 F C -0.355 175.511 175.800 0.110 0.000 1.094 653 F CA -1.439 56.620 58.000 0.098 0.000 0.923 653 F CB 1.294 40.349 39.000 0.091 0.000 1.230 653 F HN 0.333 nan 8.300 nan 0.000 0.450 654 Q N 2.466 122.376 119.800 0.183 0.000 2.382 654 Q HA 0.071 4.409 4.340 -0.003 0.000 0.229 654 Q C 1.068 177.196 176.000 0.213 0.000 1.006 654 Q CA 0.362 56.230 55.803 0.108 0.000 0.916 654 Q CB 0.990 29.735 28.738 0.011 0.000 1.235 654 Q HN 0.926 nan 8.270 nan 0.000 0.512 655 D N 0.227 120.712 120.400 0.142 0.000 2.116 655 D HA -0.212 4.426 4.640 -0.003 0.000 0.193 655 D C 1.295 177.681 176.300 0.144 0.000 0.998 655 D CA 2.121 56.213 54.000 0.152 0.000 0.836 655 D CB -0.335 40.520 40.800 0.091 0.000 0.951 655 D HN 0.489 nan 8.370 nan 0.000 0.449 656 S N -0.084 115.671 115.700 0.093 0.000 2.500 656 S HA -0.129 4.339 4.470 -0.003 0.000 0.239 656 S C 1.577 176.209 174.600 0.053 0.000 0.989 656 S CA 0.711 58.945 58.200 0.057 0.000 0.951 656 S CB -0.358 62.858 63.200 0.026 0.000 0.759 656 S HN 0.411 nan 8.310 nan 0.000 0.523 657 E N 0.628 120.890 120.200 0.103 0.000 2.474 657 E HA 0.186 4.535 4.350 -0.003 0.000 0.195 657 E C 1.974 178.573 176.600 -0.002 0.000 1.039 657 E CA 0.188 56.626 56.400 0.064 0.000 0.881 657 E CB -0.210 29.562 29.700 0.119 0.000 0.970 657 E HN 0.671 nan 8.360 nan 0.000 0.486 658 G N 2.235 111.072 108.800 0.061 0.000 2.475 658 G HA2 -0.269 3.690 3.960 -0.003 0.000 0.220 658 G HA3 -0.269 3.690 3.960 -0.003 0.000 0.220 658 G C 1.050 175.870 174.900 -0.132 0.000 1.125 658 G CA 1.022 46.081 45.100 -0.069 0.000 0.755 658 G HN 0.226 nan 8.290 nan 0.000 0.565 659 D N 0.104 120.460 120.400 -0.072 0.000 2.363 659 D HA -0.013 4.626 4.640 -0.003 0.000 0.226 659 D C 1.990 178.226 176.300 -0.106 0.000 1.020 659 D CA 0.429 54.385 54.000 -0.074 0.000 0.892 659 D CB -0.012 40.762 40.800 -0.045 0.000 0.900 659 D HN 0.447 nan 8.370 nan 0.000 0.531 660 Q N -0.044 119.669 119.800 -0.145 0.000 2.352 660 Q HA 0.082 4.421 4.340 -0.003 0.000 0.212 660 Q C 2.132 177.998 176.000 -0.224 0.000 0.888 660 Q CA -0.072 55.631 55.803 -0.167 0.000 0.934 660 Q CB 0.812 29.462 28.738 -0.146 0.000 1.093 660 Q HN 0.066 nan 8.270 nan 0.000 0.523 661 V N 1.790 121.543 119.914 -0.268 0.000 2.231 661 V HA -0.338 3.780 4.120 -0.003 0.000 0.248 661 V C 2.245 178.223 176.094 -0.194 0.000 1.054 661 V CA 2.465 64.602 62.300 -0.272 0.000 1.015 661 V CB -0.522 31.074 31.823 -0.378 0.000 0.638 661 V HN 0.450 nan 8.190 nan 0.000 0.444 662 E N -0.046 120.070 120.200 -0.141 0.000 2.085 662 E HA -0.221 4.128 4.350 -0.003 0.000 0.194 662 E C 2.319 178.817 176.600 -0.170 0.000 0.994 662 E CA 1.703 58.044 56.400 -0.099 0.000 0.801 662 E CB -0.139 29.542 29.700 -0.032 0.000 0.743 662 E HN 0.582 nan 8.360 nan 0.000 0.453 663 S N 0.490 116.085 115.700 -0.174 0.000 2.368 663 S HA -0.108 4.361 4.470 -0.003 0.000 0.225 663 S C 1.937 176.375 174.600 -0.269 0.000 1.030 663 S CA 0.891 58.979 58.200 -0.186 0.000 0.999 663 S CB -0.164 62.942 63.200 -0.156 0.000 0.844 663 S HN 0.262 nan 8.310 nan 0.000 0.459 664 L N 0.942 121.939 121.223 -0.377 0.000 2.027 664 L HA -0.065 4.273 4.340 -0.003 0.000 0.206 664 L C 2.218 178.768 176.870 -0.534 0.000 1.074 664 L CA 0.939 55.418 54.840 -0.602 0.000 0.745 664 L CB -0.554 40.799 42.059 -1.177 0.000 0.898 664 L HN 0.283 nan 8.230 nan 0.000 0.433 665 L N -0.675 120.281 121.223 -0.445 0.000 2.042 665 L HA -0.252 4.086 4.340 -0.003 0.000 0.210 665 L C 2.877 179.376 176.870 -0.619 0.000 1.076 665 L CA 1.409 56.020 54.840 -0.382 0.000 0.749 665 L CB -0.571 41.217 42.059 -0.452 0.000 0.893 665 L HN 0.222 nan 8.230 nan 0.000 0.432 666 R N -0.398 119.730 120.500 -0.620 0.000 2.073 666 R HA -0.222 4.117 4.340 -0.003 0.000 0.234 666 R C 2.300 178.456 176.300 -0.241 0.000 1.134 666 R CA 1.676 57.525 56.100 -0.419 0.000 0.952 666 R CB -0.449 29.739 30.300 -0.187 0.000 0.850 666 R HN 0.451 nan 8.270 nan 0.000 0.433 667 Q N 0.119 119.784 119.800 -0.225 0.000 2.112 667 Q HA -0.195 4.143 4.340 -0.003 0.000 0.206 667 Q C 0.593 176.425 176.000 -0.281 0.000 0.987 667 Q CA 1.666 57.323 55.803 -0.244 0.000 0.858 667 Q CB 0.024 28.564 28.738 -0.330 0.000 0.905 667 Q HN 0.432 nan 8.270 nan 0.000 0.420 668 Y N 0.262 120.515 120.300 -0.079 0.000 2.583 668 Y HA 0.136 4.684 4.550 -0.002 0.000 0.294 668 Y C 1.578 177.467 175.900 -0.017 0.000 1.170 668 Y CA -0.113 58.006 58.100 0.032 0.000 1.265 668 Y CB 0.193 38.748 38.460 0.158 0.000 1.119 668 Y HN 0.196 nan 8.280 nan 0.000 0.522 669 R N -0.912 119.540 120.500 -0.080 0.000 2.241 669 R HA -0.115 4.223 4.340 -0.003 0.000 0.224 669 R C 0.381 176.493 176.300 -0.314 0.000 1.101 669 R CA 1.493 57.472 56.100 -0.202 0.000 0.995 669 R CB -0.760 29.359 30.300 -0.302 0.000 0.870 669 R HN 0.304 nan 8.270 nan 0.000 0.463 670 F N -0.023 119.954 119.950 0.045 0.000 2.727 670 F HA 0.368 4.893 4.527 -0.003 0.000 0.302 670 F C 1.538 177.291 175.800 -0.078 0.000 1.097 670 F CA -0.075 57.919 58.000 -0.009 0.000 1.330 670 F CB 0.465 39.456 39.000 -0.015 0.000 1.084 670 F HN -0.084 nan 8.300 nan 0.000 0.578 671 I N -1.736 118.906 120.570 0.120 0.000 4.530 671 I HA 0.039 4.208 4.170 -0.003 0.000 0.318 671 I C 0.239 176.378 176.117 0.037 0.000 1.257 671 I CA 0.337 61.674 61.300 0.061 0.000 1.301 671 I CB 0.434 38.559 38.000 0.207 0.000 1.297 671 I HN -0.260 nan 8.210 nan 0.000 0.451 672 T N 2.518 117.130 114.554 0.095 0.000 2.737 672 T HA 0.160 4.508 4.350 -0.003 0.000 0.296 672 T C 0.893 175.603 174.700 0.015 0.000 0.922 672 T CA -0.179 61.956 62.100 0.059 0.000 1.079 672 T CB 1.253 70.185 68.868 0.107 0.000 0.892 672 T HN 0.127 nan 8.240 nan 0.000 0.514 673 K N 1.771 122.162 120.400 -0.015 0.000 2.228 673 K HA 0.054 4.373 4.320 -0.003 0.000 0.202 673 K C 0.915 177.504 176.600 -0.019 0.000 1.051 673 K CA 0.446 56.717 56.287 -0.026 0.000 0.960 673 K CB 0.226 32.702 32.500 -0.040 0.000 0.743 673 K HN 0.731 nan 8.250 nan 0.000 0.458 674 S N -0.172 115.521 115.700 -0.011 0.000 2.543 674 S HA 0.310 4.778 4.470 -0.003 0.000 0.274 674 S C -0.692 173.905 174.600 -0.005 0.000 1.149 674 S CA -0.986 57.209 58.200 -0.007 0.000 0.866 674 S CB 1.956 65.146 63.200 -0.018 0.000 1.111 674 S HN 0.115 nan 8.310 nan 0.000 0.457 675 T N -1.363 113.196 114.554 0.009 0.000 2.909 675 T HA 0.815 5.164 4.350 -0.003 0.000 0.299 675 T C -0.890 173.819 174.700 0.014 0.000 1.073 675 T CA -0.520 61.575 62.100 -0.009 0.000 0.999 675 T CB 1.750 70.629 68.868 0.018 0.000 1.098 675 T HN 1.380 nan 8.240 nan 0.000 0.477 676 S N 2.064 117.764 115.700 0.000 0.000 2.736 676 S HA 0.672 5.140 4.470 -0.003 0.000 0.285 676 S C -1.602 173.025 174.600 0.046 0.000 1.163 676 S CA -0.683 57.538 58.200 0.036 0.000 1.025 676 S CB 0.334 63.557 63.200 0.038 0.000 1.030 676 S HN 0.690 nan 8.310 nan 0.000 0.486 677 L N 3.886 125.175 121.223 0.110 0.000 2.319 677 L HA 0.871 5.209 4.340 -0.003 0.000 0.267 677 L C -0.964 176.028 176.870 0.204 0.000 1.011 677 L CA -0.662 54.302 54.840 0.207 0.000 0.818 677 L CB 1.914 44.178 42.059 0.340 0.000 1.316 677 L HN 0.705 nan 8.230 nan 0.000 0.432 678 L N 2.705 124.020 121.223 0.153 0.000 2.526 678 L HA 0.646 4.985 4.340 -0.003 0.000 0.263 678 L C -2.687 173.902 176.870 -0.467 0.000 0.943 678 L CA -1.372 53.432 54.840 -0.060 0.000 0.859 678 L CB 2.388 44.407 42.059 -0.066 0.000 1.313 678 L HN 0.266 nan 8.230 nan 0.000 0.406 679 P HA 0.043 nan 4.420 nan 0.000 0.264 679 P C -1.537 175.487 177.300 -0.459 0.000 1.193 679 P CA 0.317 62.870 63.100 -0.910 0.000 0.763 679 P CB 0.002 31.459 31.700 -0.405 0.000 0.810 680 Y N 4.321 124.330 120.300 -0.485 0.000 2.650 680 Y HA 0.337 4.886 4.550 -0.003 0.000 0.342 680 Y C 0.570 176.386 175.900 -0.139 0.000 1.110 680 Y CA 0.470 58.441 58.100 -0.215 0.000 1.438 680 Y CB -0.494 37.884 38.460 -0.136 0.000 1.181 680 Y HN 0.337 nan 8.280 nan 0.000 0.526 681 F N 1.629 121.327 119.950 -0.419 0.000 2.087 681 F HA 0.587 5.112 4.527 -0.003 0.000 0.204 681 F C 1.759 177.391 175.800 -0.281 0.000 1.295 681 F CA -0.239 57.615 58.000 -0.245 0.000 1.260 681 F CB -0.368 38.531 39.000 -0.170 0.000 1.902 681 F HN 0.718 nan 8.300 nan 0.000 0.150 682 G N -1.207 107.469 108.800 -0.205 0.000 2.284 682 G HA2 0.192 4.150 3.960 -0.003 0.000 0.230 682 G HA3 0.192 4.150 3.960 -0.003 0.000 0.230 682 G C 2.082 176.936 174.900 -0.076 0.000 1.021 682 G CA 1.662 46.672 45.100 -0.151 0.000 0.619 682 G HN 2.822 nan 8.290 nan 0.000 0.510 683 G N -0.512 108.259 108.800 -0.048 0.000 3.729 683 G HA2 0.019 3.977 3.960 -0.003 0.000 0.327 683 G HA3 0.019 3.977 3.960 -0.003 0.000 0.327 683 G C 0.879 175.791 174.900 0.019 0.000 1.293 683 G CA 2.322 47.415 45.100 -0.013 0.000 1.011 683 G HN 2.465 nan 8.290 nan 0.000 0.673 684 S N -0.832 114.879 115.700 0.019 0.000 3.015 684 S HA 0.357 4.825 4.470 -0.003 0.000 0.135 684 S C -0.343 174.286 174.600 0.049 0.000 0.774 684 S CA 0.115 58.342 58.200 0.045 0.000 0.845 684 S CB -0.975 62.253 63.200 0.047 0.000 1.565 684 S HN 0.906 nan 8.310 nan 0.000 0.576 685 L N 3.333 124.584 121.223 0.047 0.000 2.453 685 L HA 0.287 4.626 4.340 -0.003 0.000 0.272 685 L C 1.865 178.810 176.870 0.124 0.000 1.182 685 L CA -0.021 54.867 54.840 0.080 0.000 0.858 685 L CB 0.768 42.852 42.059 0.042 0.000 1.120 685 L HN 0.713 nan 8.230 nan 0.000 0.474 686 Q N 2.072 121.973 119.800 0.169 0.000 2.172 686 Q HA -0.138 4.200 4.340 -0.003 0.000 0.200 686 Q C 0.932 176.998 176.000 0.109 0.000 0.964 686 Q CA 1.321 57.194 55.803 0.116 0.000 0.855 686 Q CB 0.286 29.074 28.738 0.083 0.000 0.918 686 Q HN 0.639 nan 8.270 nan 0.000 0.444 687 Q N 0.298 120.206 119.800 0.181 0.000 2.831 687 Q HA 0.431 4.769 4.340 -0.003 0.000 0.366 687 Q C -1.360 174.769 176.000 0.215 0.000 0.899 687 Q CA -0.507 55.384 55.803 0.147 0.000 0.987 687 Q CB 0.863 29.619 28.738 0.031 0.000 1.382 687 Q HN 0.394 nan 8.270 nan 0.000 0.403 688 A N 1.979 124.886 122.820 0.144 0.000 2.520 688 A HA 0.153 4.472 4.320 -0.003 0.000 0.235 688 A C -1.506 176.118 177.584 0.067 0.000 1.065 688 A CA -0.757 51.332 52.037 0.088 0.000 0.764 688 A CB 0.100 19.144 19.000 0.072 0.000 1.002 688 A HN 0.560 nan 8.150 nan 0.000 0.502 689 P HA -0.006 nan 4.420 nan 0.000 0.222 689 P C -0.092 177.203 177.300 -0.009 0.000 1.153 689 P CA 1.206 64.301 63.100 -0.008 0.000 0.798 689 P CB 0.222 31.878 31.700 -0.074 0.000 0.796 690 K N 0.519 120.890 120.400 -0.049 0.000 2.640 690 K HA 0.294 4.612 4.320 -0.003 0.000 0.245 690 K C -0.655 176.023 176.600 0.131 0.000 0.962 690 K CA -0.311 55.979 56.287 0.005 0.000 0.896 690 K CB 2.136 34.521 32.500 -0.192 0.000 1.147 690 K HN -0.090 nan 8.250 nan 0.000 0.445 691 E N 5.280 125.590 120.200 0.184 0.000 2.102 691 E HA 0.249 4.598 4.350 -0.003 0.000 0.263 691 E C -2.381 174.354 176.600 0.224 0.000 0.894 691 E CA -2.306 54.214 56.400 0.199 0.000 0.746 691 E CB 1.096 30.886 29.700 0.151 0.000 1.129 691 E HN 0.200 nan 8.360 nan 0.000 0.416 692 P HA 0.105 nan 4.420 nan 0.000 0.271 692 P C -0.249 177.153 177.300 0.171 0.000 1.216 692 P CA 0.181 63.407 63.100 0.210 0.000 0.776 692 P CB 0.744 32.546 31.700 0.170 0.000 0.881 693 I N -1.218 119.461 120.570 0.183 0.000 3.191 693 I HA 0.542 4.710 4.170 -0.003 0.000 0.313 693 I C -0.766 175.425 176.117 0.123 0.000 1.193 693 I CA -1.521 59.861 61.300 0.138 0.000 0.968 693 I CB 2.240 40.323 38.000 0.139 0.000 1.262 693 I HN 0.144 nan 8.210 nan 0.000 0.456 694 D N 1.203 121.620 120.400 0.028 0.000 2.423 694 D HA 0.219 4.857 4.640 -0.003 0.000 0.255 694 D C 0.698 176.779 176.300 -0.365 0.000 1.174 694 D CA -0.704 53.251 54.000 -0.075 0.000 1.008 694 D CB 1.280 42.048 40.800 -0.054 0.000 1.101 694 D HN 0.737 nan 8.370 nan 0.000 0.516 695 K N -0.548 119.447 120.400 -0.675 0.000 2.063 695 K HA -0.223 4.095 4.320 -0.003 0.000 0.208 695 K C 1.575 177.945 176.600 -0.383 0.000 1.048 695 K CA 1.234 56.893 56.287 -1.047 0.000 0.928 695 K CB 0.033 32.149 32.500 -0.640 0.000 0.713 695 K HN 0.370 nan 8.250 nan 0.000 0.442 696 E N 0.230 120.302 120.200 -0.213 0.000 2.048 696 E HA -0.193 4.155 4.350 -0.003 0.000 0.202 696 E C 2.087 178.636 176.600 -0.085 0.000 1.021 696 E CA 2.017 58.352 56.400 -0.109 0.000 0.825 696 E CB -0.728 28.927 29.700 -0.074 0.000 0.756 696 E HN 0.403 nan 8.360 nan 0.000 0.454 697 T N 0.903 115.415 114.554 -0.070 0.000 2.684 697 T HA -0.214 4.135 4.350 -0.003 0.000 0.267 697 T C 1.776 176.458 174.700 -0.030 0.000 1.036 697 T CA 1.641 63.720 62.100 -0.035 0.000 1.148 697 T CB -0.717 68.151 68.868 0.001 0.000 0.863 697 T HN 0.297 nan 8.240 nan 0.000 0.436 698 Y N 2.246 122.474 120.300 -0.121 0.000 2.114 698 Y HA -0.251 4.298 4.550 -0.002 0.000 0.282 698 Y C 2.341 178.213 175.900 -0.046 0.000 1.165 698 Y CA 1.844 59.910 58.100 -0.057 0.000 1.148 698 Y CB -0.313 38.110 38.460 -0.063 0.000 0.972 698 Y HN 0.319 nan 8.280 nan 0.000 0.504 699 E N 0.268 120.369 120.200 -0.166 0.000 2.058 699 E HA -0.225 4.124 4.350 -0.003 0.000 0.194 699 E C 2.159 178.629 176.600 -0.216 0.000 0.997 699 E CA 1.575 57.852 56.400 -0.204 0.000 0.801 699 E CB -0.196 29.475 29.700 -0.047 0.000 0.746 699 E HN 0.537 nan 8.360 nan 0.000 0.450 700 K N 0.534 120.844 120.400 -0.150 0.000 2.002 700 K HA -0.096 4.222 4.320 -0.003 0.000 0.209 700 K C 2.264 178.771 176.600 -0.154 0.000 1.048 700 K CA 0.834 57.047 56.287 -0.124 0.000 0.930 700 K CB -0.085 32.364 32.500 -0.084 0.000 0.714 700 K HN -0.018 nan 8.250 nan 0.000 0.438 701 R N 0.874 121.274 120.500 -0.168 0.000 2.073 701 R HA -0.087 4.251 4.340 -0.003 0.000 0.234 701 R C 2.517 178.676 176.300 -0.234 0.000 1.134 701 R CA 1.851 57.852 56.100 -0.165 0.000 0.952 701 R CB -0.920 29.314 30.300 -0.109 0.000 0.850 701 R HN 0.325 nan 8.270 nan 0.000 0.433 702 S N 1.049 116.527 115.700 -0.370 0.000 2.399 702 S HA -0.162 4.307 4.470 -0.003 0.000 0.231 702 S C 1.879 176.328 174.600 -0.252 0.000 1.022 702 S CA 0.857 58.836 58.200 -0.368 0.000 0.983 702 S CB -0.284 62.549 63.200 -0.611 0.000 0.803 702 S HN 0.358 nan 8.310 nan 0.000 0.480 703 Q N 0.908 120.577 119.800 -0.218 0.000 2.364 703 Q HA -0.039 4.300 4.340 -0.003 0.000 0.209 703 Q C 1.891 177.800 176.000 -0.151 0.000 0.977 703 Q CA 1.122 56.832 55.803 -0.155 0.000 0.885 703 Q CB -0.188 28.477 28.738 -0.123 0.000 0.941 703 Q HN 0.712 nan 8.270 nan 0.000 0.464 704 E N 0.086 120.181 120.200 -0.174 0.000 2.285 704 E HA -0.022 4.327 4.350 -0.003 0.000 0.194 704 E C -0.136 176.327 176.600 -0.228 0.000 0.997 704 E CA 0.290 56.587 56.400 -0.173 0.000 0.845 704 E CB 0.333 29.935 29.700 -0.163 0.000 0.782 704 E HN 0.292 nan 8.360 nan 0.000 0.491 705 I N 1.420 121.817 120.570 -0.288 0.000 2.307 705 I HA 0.052 4.220 4.170 -0.003 0.000 0.287 705 I C 0.786 176.750 176.117 -0.255 0.000 1.054 705 I CA -0.093 60.969 61.300 -0.397 0.000 1.218 705 I CB 1.282 38.891 38.000 -0.651 0.000 1.398 705 I HN -0.043 nan 8.210 nan 0.000 0.475 706 T N 0.290 114.727 114.554 -0.194 0.000 3.040 706 T HA 0.231 4.580 4.350 -0.003 0.000 0.266 706 T C 0.752 175.394 174.700 -0.097 0.000 1.005 706 T CA -0.289 61.737 62.100 -0.123 0.000 0.906 706 T CB 0.371 69.182 68.868 -0.095 0.000 1.082 706 T HN 0.490 nan 8.240 nan 0.000 0.531 707 G N 1.375 110.107 108.800 -0.113 0.000 2.420 707 G HA2 0.408 4.367 3.960 -0.003 0.000 0.284 707 G HA3 0.408 4.367 3.960 -0.003 0.000 0.284 707 G C -0.616 174.262 174.900 -0.036 0.000 1.177 707 G CA -0.673 44.388 45.100 -0.064 0.000 0.841 707 G HN 0.277 nan 8.290 nan 0.000 0.527 708 N N 2.333 121.012 118.700 -0.034 0.000 2.469 708 N HA 0.006 4.745 4.740 -0.003 0.000 0.239 708 N C 1.365 176.830 175.510 -0.075 0.000 1.053 708 N CA -0.435 52.584 53.050 -0.052 0.000 0.937 708 N CB 1.588 40.031 38.487 -0.074 0.000 1.163 708 N HN 0.181 nan 8.380 nan 0.000 0.509 709 V N 3.969 123.866 119.914 -0.028 0.000 2.380 709 V HA -0.202 3.916 4.120 -0.003 0.000 0.251 709 V C 2.115 178.011 176.094 -0.330 0.000 1.063 709 V CA 2.289 64.571 62.300 -0.031 0.000 1.055 709 V CB -0.307 31.596 31.823 0.133 0.000 0.657 709 V HN 0.771 nan 8.190 nan 0.000 0.455 710 E N -0.441 119.291 120.200 -0.780 0.000 2.051 710 E HA -0.258 4.091 4.350 -0.003 0.000 0.192 710 E C 2.132 178.444 176.600 -0.480 0.000 0.991 710 E CA 1.758 57.339 56.400 -1.365 0.000 0.799 710 E CB -0.191 28.568 29.700 -1.569 0.000 0.748 710 E HN 0.802 nan 8.360 nan 0.000 0.449 711 E N -0.055 119.979 120.200 -0.277 0.000 2.072 711 E HA -0.155 4.193 4.350 -0.003 0.000 0.191 711 E C 2.237 178.810 176.600 -0.045 0.000 0.985 711 E CA 1.261 57.595 56.400 -0.109 0.000 0.801 711 E CB 0.094 29.747 29.700 -0.078 0.000 0.750 711 E HN 0.156 nan 8.360 nan 0.000 0.452 712 V N 1.079 120.974 119.914 -0.032 0.000 2.427 712 V HA -0.230 3.888 4.120 -0.003 0.000 0.248 712 V C 1.982 178.112 176.094 0.059 0.000 1.051 712 V CA 1.563 63.871 62.300 0.015 0.000 1.048 712 V CB -0.477 31.365 31.823 0.032 0.000 0.666 712 V HN 0.213 nan 8.190 nan 0.000 0.456 713 F N 1.011 120.947 119.950 -0.023 0.000 2.102 713 F HA -0.210 4.315 4.527 -0.003 0.000 0.298 713 F C 2.788 178.638 175.800 0.082 0.000 1.105 713 F CA 1.899 59.944 58.000 0.075 0.000 1.239 713 F CB -0.548 38.587 39.000 0.226 0.000 0.991 713 F HN 0.116 nan 8.300 nan 0.000 0.474 714 S N -0.215 115.547 115.700 0.103 0.000 2.359 714 S HA -0.287 4.181 4.470 -0.003 0.000 0.224 714 S C 2.228 176.793 174.600 -0.059 0.000 1.035 714 S CA 1.633 59.855 58.200 0.036 0.000 1.018 714 S CB -0.752 62.503 63.200 0.093 0.000 0.876 714 S HN 0.657 nan 8.310 nan 0.000 0.448 715 Q N 0.585 120.359 119.800 -0.043 0.000 2.030 715 Q HA -0.127 4.212 4.340 -0.003 0.000 0.204 715 Q C 2.289 178.240 176.000 -0.081 0.000 0.986 715 Q CA 1.823 57.598 55.803 -0.046 0.000 0.843 715 Q CB -0.574 28.147 28.738 -0.028 0.000 0.904 715 Q HN 0.651 nan 8.270 nan 0.000 0.420 716 L N 0.895 122.046 121.223 -0.119 0.000 2.046 716 L HA -0.177 4.161 4.340 -0.003 0.000 0.208 716 L C 2.573 179.328 176.870 -0.193 0.000 1.077 716 L CA 1.513 56.269 54.840 -0.140 0.000 0.747 716 L CB -0.637 41.335 42.059 -0.145 0.000 0.896 716 L HN 0.412 nan 8.230 nan 0.000 0.432 717 N N -0.751 117.749 118.700 -0.333 0.000 2.223 717 N HA -0.170 4.568 4.740 -0.003 0.000 0.185 717 N C 1.729 177.164 175.510 -0.125 0.000 1.016 717 N CA 1.228 54.100 53.050 -0.298 0.000 0.863 717 N CB 0.197 38.432 38.487 -0.421 0.000 0.983 717 N HN 0.232 nan 8.380 nan 0.000 0.429 718 S N 0.033 115.676 115.700 -0.095 0.000 2.446 718 S HA -0.012 4.457 4.470 -0.003 0.000 0.225 718 S C 0.790 175.369 174.600 -0.034 0.000 1.016 718 S CA 0.599 58.772 58.200 -0.045 0.000 0.943 718 S CB 0.127 63.310 63.200 -0.028 0.000 0.786 718 S HN 0.375 nan 8.310 nan 0.000 0.508 719 D N 0.763 121.138 120.400 -0.043 0.000 2.301 719 D HA 0.105 4.743 4.640 -0.003 0.000 0.206 719 D C 0.104 176.390 176.300 -0.024 0.000 0.979 719 D CA 0.442 54.425 54.000 -0.028 0.000 0.874 719 D CB 0.204 40.987 40.800 -0.029 0.000 0.968 719 D HN 0.146 nan 8.370 nan 0.000 0.510 720 V N 1.258 121.152 119.914 -0.034 0.000 2.328 720 V HA 0.455 4.574 4.120 -0.003 0.000 0.278 720 V C 0.532 176.622 176.094 -0.007 0.000 1.021 720 V CA -1.033 61.255 62.300 -0.020 0.000 0.838 720 V CB 0.722 32.529 31.823 -0.027 0.000 0.999 720 V HN 0.064 nan 8.190 nan 0.000 0.447 721 K N 2.049 122.454 120.400 0.009 0.000 2.350 721 K HA 0.353 4.671 4.320 -0.003 0.000 0.279 721 K C 0.583 177.208 176.600 0.042 0.000 1.027 721 K CA 0.089 56.392 56.287 0.027 0.000 0.969 721 K CB -0.232 32.285 32.500 0.028 0.000 0.954 721 K HN 0.862 nan 8.250 nan 0.000 0.474 722 D N -0.363 120.081 120.400 0.072 0.000 3.068 722 D HA -0.168 4.470 4.640 -0.003 0.000 0.218 722 D C 0.935 177.286 176.300 0.084 0.000 1.145 722 D CA 0.993 55.048 54.000 0.091 0.000 0.896 722 D CB -1.359 39.478 40.800 0.063 0.000 1.105 722 D HN 0.565 nan 8.370 nan 0.000 0.423 723 L N 0.522 121.789 121.223 0.073 0.000 2.042 723 L HA -0.053 4.286 4.340 -0.003 0.000 0.210 723 L C 1.121 178.067 176.870 0.125 0.000 1.076 723 L CA 1.878 56.755 54.840 0.061 0.000 0.749 723 L CB -0.019 42.031 42.059 -0.015 0.000 0.893 723 L HN 0.139 nan 8.230 nan 0.000 0.432 724 E N 0.000 120.324 120.200 0.206 0.000 2.725 724 E HA 0.000 4.348 4.350 -0.003 0.000 0.291 724 E CA 0.000 56.567 56.400 0.279 0.000 0.976 724 E CB 0.000 30.035 29.700 0.559 0.000 0.812 724 E HN 0.000 nan 8.360 nan 0.000 0.440