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 2e5d_1_A DATA FIRST_RESID 8 DATA SEQUENCE EFNILLATDS YKVTHYKQYP PNTSKVYSYF ECREKXXXXX XXXXXKYEET DATA SEQUENCE VFYGLQYILN KYLKGKVVTK EKIQEAKDVY KEHFQDDVFN EKGWNYILEK DATA SEQUENCE YDGHLPIEIK AVPEGFVIPR GNVLFTVENT DPECYWLTNW IETILVQSWY DATA SEQUENCE PITVATNSRE QKKILAKYLL ETSGNLDGLE YKLHDFGYRG VSSQETAGIG DATA SEQUENCE ASAHLVNFKG TDTVAGLALI KKYYGTKDPV PGYSVPAAEH STITAWGKDH DATA SEQUENCE EKDAFEHIVT QFSSVPVSVV SDSYDIYNAC EKIWGEDLRH LIVSRSTQAP DATA SEQUENCE LIIRPDSGNP LDTVLKVLEI LGKKFPVTEN SKGYKLLPPY LRVIQGDGVD DATA SEQUENCE INTLQEIVEG MKQKMWSIEN IAFGSGGGLL QKLTRDLLNC SFKCSYVVTN DATA SEQUENCE GLGINVFKDP VADPNKRSKK GRLSLHRTPA GNFVTLEEGK GDLEEYGQDL DATA SEQUENCE LHTVFKNGKV TKSYSFDEIR KNAQLN 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 8 E HA 0.000 nan 4.350 nan 0.000 0.291 8 E C 0.000 176.662 176.600 0.103 0.000 1.382 8 E CA 0.000 56.445 56.400 0.075 0.000 0.976 8 E CB 0.000 29.727 29.700 0.045 0.000 0.812 9 F N 3.561 123.527 119.950 0.027 0.000 2.484 9 F HA 0.418 4.983 4.527 0.064 0.000 0.360 9 F C -0.282 175.519 175.800 0.003 0.000 1.101 9 F CA 0.042 58.065 58.000 0.038 0.000 1.251 9 F CB 0.681 39.767 39.000 0.143 0.000 1.132 9 F HN 0.345 nan 8.300 nan 0.000 0.570 10 N N 6.440 124.641 118.700 -0.833 0.000 2.531 10 N HA 0.141 4.919 4.740 0.063 0.000 0.268 10 N C 0.470 175.449 175.510 -0.885 0.000 1.023 10 N CA -0.454 52.205 53.050 -0.651 0.000 0.896 10 N CB 0.968 39.216 38.487 -0.399 0.000 1.233 10 N HN 0.788 nan 8.380 nan 0.000 0.512 11 I N 3.512 123.709 120.570 -0.621 0.000 2.530 11 I HA -0.144 4.064 4.170 0.063 0.000 0.257 11 I C 1.273 177.367 176.117 -0.039 0.000 1.179 11 I CA 1.126 62.280 61.300 -0.243 0.000 1.440 11 I CB 0.196 38.274 38.000 0.129 0.000 1.087 11 I HN 0.579 nan 8.210 nan 0.000 0.440 12 L N -0.534 120.526 121.223 -0.271 0.000 2.376 12 L HA -0.036 4.342 4.340 0.063 0.000 0.219 12 L C 1.663 178.670 176.870 0.228 0.000 1.133 12 L CA 1.266 56.033 54.840 -0.121 0.000 0.816 12 L CB -0.471 41.272 42.059 -0.526 0.000 0.933 12 L HN 0.188 nan 8.230 nan 0.000 0.449 13 L N -1.131 120.051 121.223 -0.069 0.000 2.857 13 L HA 0.331 4.709 4.340 0.063 0.000 0.249 13 L C 1.062 177.873 176.870 -0.099 0.000 1.172 13 L CA -0.123 54.656 54.840 -0.103 0.000 0.980 13 L CB 0.038 41.916 42.059 -0.303 0.000 1.299 13 L HN 0.090 nan 8.230 nan 0.000 0.535 14 A N -0.430 122.360 122.820 -0.050 0.000 2.965 14 A HA 0.478 4.836 4.320 0.063 0.000 0.304 14 A C 0.244 177.840 177.584 0.020 0.000 1.214 14 A CA -0.022 51.994 52.037 -0.036 0.000 0.977 14 A CB 0.136 19.109 19.000 -0.046 0.000 1.127 14 A HN 0.141 nan 8.150 nan 0.000 0.572 15 T N -0.804 113.717 114.554 -0.056 0.000 2.865 15 T HA 0.354 4.742 4.350 0.063 0.000 0.294 15 T C -1.321 173.304 174.700 -0.125 0.000 1.119 15 T CA -0.601 61.374 62.100 -0.209 0.000 1.007 15 T CB 1.061 69.474 68.868 -0.758 0.000 1.225 15 T HN 0.285 nan 8.240 nan 0.000 0.515 16 D N 1.975 122.332 120.400 -0.071 0.000 2.455 16 D HA 0.119 4.797 4.640 0.063 0.000 0.241 16 D C 1.169 177.508 176.300 0.066 0.000 1.138 16 D CA 0.239 54.278 54.000 0.064 0.000 0.877 16 D CB 1.395 42.360 40.800 0.274 0.000 1.187 16 D HN 0.508 nan 8.370 nan 0.000 0.451 17 S N 1.907 117.686 115.700 0.131 0.000 2.380 17 S HA -0.264 4.244 4.470 0.063 0.000 0.229 17 S C 1.883 176.670 174.600 0.312 0.000 1.043 17 S CA 1.369 59.703 58.200 0.223 0.000 1.038 17 S CB -0.539 62.816 63.200 0.257 0.000 0.872 17 S HN 0.728 nan 8.310 nan 0.000 0.456 18 Y N 1.378 121.684 120.300 0.010 0.000 2.333 18 Y HA 0.016 4.604 4.550 0.063 0.000 0.290 18 Y C 1.842 177.385 175.900 -0.595 0.000 1.144 18 Y CA 0.835 58.880 58.100 -0.092 0.000 1.228 18 Y CB -0.429 38.044 38.460 0.022 0.000 0.985 18 Y HN 0.084 nan 8.280 nan 0.000 0.542 19 K N 0.780 120.739 120.400 -0.735 0.000 2.360 19 K HA -0.064 4.294 4.320 0.063 0.000 0.201 19 K C 1.813 178.072 176.600 -0.570 0.000 1.046 19 K CA 1.099 56.773 56.287 -1.022 0.000 0.945 19 K CB -0.075 32.078 32.500 -0.579 0.000 0.750 19 K HN 0.267 nan 8.250 nan 0.000 0.464 20 V N 1.295 120.951 119.914 -0.430 0.000 2.594 20 V HA -0.193 3.965 4.120 0.063 0.000 0.253 20 V C 2.228 178.315 176.094 -0.013 0.000 1.069 20 V CA 2.200 64.408 62.300 -0.153 0.000 1.082 20 V CB -0.638 31.000 31.823 -0.308 0.000 0.680 20 V HN 0.527 nan 8.190 nan 0.000 0.469 21 T N -4.187 110.256 114.554 -0.185 0.000 3.069 21 T HA 0.053 4.441 4.350 0.063 0.000 0.252 21 T C 1.338 176.015 174.700 -0.039 0.000 1.053 21 T CA 0.254 62.275 62.100 -0.132 0.000 0.964 21 T CB -0.463 68.285 68.868 -0.200 0.000 1.005 21 T HN 0.607 nan 8.240 nan 0.000 0.532 22 H N 0.083 119.157 119.070 0.006 0.000 2.470 22 H HA 0.046 4.640 4.556 0.063 0.000 0.289 22 H C 1.921 177.305 175.328 0.094 0.000 1.033 22 H CA 1.289 57.300 56.048 -0.062 0.000 1.331 22 H CB -0.175 29.544 29.762 -0.072 0.000 1.414 22 H HN 0.698 nan 8.280 nan 0.000 0.545 23 Y N 1.306 121.739 120.300 0.222 0.000 2.315 23 Y HA -0.108 4.480 4.550 0.063 0.000 0.288 23 Y C 1.461 177.514 175.900 0.256 0.000 1.154 23 Y CA 0.724 58.965 58.100 0.234 0.000 1.229 23 Y CB -0.189 38.150 38.460 -0.201 0.000 0.980 23 Y HN -0.108 nan 8.280 nan 0.000 0.540 24 K N 0.178 120.238 120.400 -0.566 0.000 2.444 24 K HA 0.062 4.420 4.320 0.063 0.000 0.193 24 K C 1.368 177.864 176.600 -0.174 0.000 1.024 24 K CA 0.478 56.497 56.287 -0.447 0.000 1.077 24 K CB 0.123 32.245 32.500 -0.631 0.000 0.833 24 K HN 0.554 nan 8.250 nan 0.000 0.517 25 Q N -0.905 118.830 119.800 -0.107 0.000 2.353 25 Q HA 0.099 4.477 4.340 0.063 0.000 0.240 25 Q C -0.268 175.650 176.000 -0.137 0.000 0.868 25 Q CA -0.051 55.659 55.803 -0.155 0.000 0.944 25 Q CB 0.394 28.987 28.738 -0.242 0.000 1.104 25 Q HN 0.172 nan 8.270 nan 0.000 0.531 26 Y N 2.102 122.449 120.300 0.077 0.000 2.426 26 Y HA 0.076 4.663 4.550 0.063 0.000 0.344 26 Y C -1.815 174.081 175.900 -0.006 0.000 1.256 26 Y CA -2.002 56.144 58.100 0.076 0.000 1.451 26 Y CB -0.325 38.273 38.460 0.229 0.000 1.342 26 Y HN 0.012 nan 8.280 nan 0.000 0.600 27 P HA 0.061 nan 4.420 nan 0.000 0.265 27 P C -2.520 174.760 177.300 -0.034 0.000 1.193 27 P CA -0.860 62.255 63.100 0.026 0.000 0.765 27 P CB 0.027 31.732 31.700 0.008 0.000 0.823 28 P HA -0.045 nan 4.420 nan 0.000 0.267 28 P C 0.097 177.327 177.300 -0.116 0.000 1.201 28 P CA 0.502 63.550 63.100 -0.087 0.000 0.775 28 P CB 0.142 31.809 31.700 -0.055 0.000 0.854 29 N N -1.839 116.769 118.700 -0.152 0.000 2.776 29 N HA -0.121 4.657 4.740 0.063 0.000 0.250 29 N C -0.760 174.645 175.510 -0.176 0.000 1.112 29 N CA 0.996 53.961 53.050 -0.141 0.000 0.733 29 N CB -2.130 36.305 38.487 -0.087 0.000 1.097 29 N HN 0.380 nan 8.380 nan 0.000 0.558 30 T N 0.429 114.812 114.554 -0.284 0.000 2.728 30 T HA 0.320 4.708 4.350 0.063 0.000 0.296 30 T C 1.396 175.913 174.700 -0.304 0.000 0.940 30 T CA 0.108 62.037 62.100 -0.285 0.000 1.013 30 T CB 1.182 69.876 68.868 -0.289 0.000 0.912 30 T HN 0.309 nan 8.240 nan 0.000 0.484 31 S N 2.696 118.310 115.700 -0.144 0.000 2.511 31 S HA 0.278 4.786 4.470 0.063 0.000 0.214 31 S C 0.454 175.056 174.600 0.004 0.000 0.997 31 S CA -0.302 57.864 58.200 -0.057 0.000 0.908 31 S CB 0.277 63.456 63.200 -0.036 0.000 0.803 31 S HN 0.559 nan 8.310 nan 0.000 0.504 32 K N 0.716 121.107 120.400 -0.015 0.000 2.535 32 K HA 0.598 4.956 4.320 0.063 0.000 0.251 32 K C -2.150 174.457 176.600 0.011 0.000 0.942 32 K CA -0.564 55.741 56.287 0.029 0.000 0.798 32 K CB 2.439 34.976 32.500 0.063 0.000 1.267 32 K HN 0.046 nan 8.250 nan 0.000 0.434 33 V N 4.575 124.518 119.914 0.048 0.000 2.444 33 V HA 0.365 4.523 4.120 0.063 0.000 0.294 33 V C -1.378 174.835 176.094 0.197 0.000 1.022 33 V CA -0.792 61.545 62.300 0.060 0.000 0.850 33 V CB 1.346 33.122 31.823 -0.077 0.000 0.992 33 V HN 0.737 nan 8.190 nan 0.000 0.426 34 Y N 3.765 124.142 120.300 0.128 0.000 2.331 34 Y HA 0.722 5.310 4.550 0.064 0.000 0.334 34 Y C 0.015 175.998 175.900 0.139 0.000 0.960 34 Y CA -0.020 58.182 58.100 0.170 0.000 1.130 34 Y CB 1.830 40.461 38.460 0.285 0.000 1.164 34 Y HN 0.640 nan 8.280 nan 0.000 0.458 35 S N 5.251 120.830 115.700 -0.201 0.000 2.632 35 S HA 0.614 5.122 4.470 0.063 0.000 0.289 35 S C -1.729 172.566 174.600 -0.508 0.000 1.115 35 S CA -0.716 57.311 58.200 -0.288 0.000 0.889 35 S CB 1.671 64.657 63.200 -0.356 0.000 1.116 35 S HN 0.692 nan 8.310 nan 0.000 0.486 36 Y N -0.447 119.405 120.300 -0.747 0.000 2.588 36 Y HA 0.820 5.408 4.550 0.063 0.000 0.343 36 Y C -1.706 173.791 175.900 -0.672 0.000 1.065 36 Y CA -1.536 56.194 58.100 -0.617 0.000 1.038 36 Y CB 0.938 39.196 38.460 -0.337 0.000 1.297 36 Y HN 0.574 nan 8.280 nan 0.000 0.467 37 F N 2.895 122.331 119.950 -0.857 0.000 2.469 37 F HA 0.608 5.173 4.527 0.062 0.000 0.332 37 F C -0.761 174.794 175.800 -0.409 0.000 1.103 37 F CA -0.329 57.202 58.000 -0.782 0.000 0.979 37 F CB 1.386 39.635 39.000 -1.252 0.000 1.137 37 F HN 0.792 nan 8.300 nan 0.000 0.463 38 E N 3.603 123.335 120.200 -0.781 0.000 2.408 38 E HA 0.459 4.847 4.350 0.063 0.000 0.275 38 E C -1.844 174.451 176.600 -0.507 0.000 0.935 38 E CA -1.135 55.046 56.400 -0.366 0.000 0.775 38 E CB 1.468 31.139 29.700 -0.049 0.000 1.277 38 E HN 0.517 nan 8.360 nan 0.000 0.455 39 C N 2.593 121.794 119.300 -0.165 0.000 2.135 39 C HA 0.373 4.872 4.460 0.063 0.000 0.345 39 C C 0.425 175.381 174.990 -0.056 0.000 1.067 39 C CA -0.615 58.349 59.018 -0.090 0.000 1.517 39 C CB -1.582 26.190 27.740 0.055 0.000 1.923 39 C HN 0.517 nan 8.230 nan 0.000 0.466 40 R N 1.762 122.209 120.500 -0.088 0.000 2.638 40 R HA 0.056 4.434 4.340 0.063 0.000 0.268 40 R C 0.472 176.769 176.300 -0.005 0.000 1.006 40 R CA 0.367 56.442 56.100 -0.041 0.000 1.088 40 R CB 0.773 31.043 30.300 -0.049 0.000 0.950 40 R HN 0.708 nan 8.270 nan 0.000 0.419 41 E N 1.598 121.804 120.200 0.010 0.000 2.374 41 E HA 0.021 4.409 4.350 0.063 0.000 0.260 41 E C -0.223 176.389 176.600 0.021 0.000 1.101 41 E CA -0.374 56.039 56.400 0.022 0.000 0.907 41 E CB 0.861 30.575 29.700 0.024 0.000 1.014 41 E HN 0.239 nan 8.360 nan 0.000 0.427 54 Y N 1.863 122.181 120.300 0.029 0.000 2.915 54 Y HA 0.356 4.945 4.550 0.065 0.000 0.350 54 Y C 0.576 176.496 175.900 0.033 0.000 1.061 54 Y CA -0.550 57.570 58.100 0.034 0.000 1.179 54 Y CB 1.131 39.618 38.460 0.045 0.000 1.180 54 Y HN 0.021 nan 8.280 nan 0.000 0.605 55 E N 1.619 121.890 120.200 0.119 0.000 2.274 55 E HA -0.084 4.304 4.350 0.063 0.000 0.194 55 E C 0.059 176.711 176.600 0.087 0.000 0.996 55 E CA 0.652 57.105 56.400 0.087 0.000 0.840 55 E CB 0.426 30.157 29.700 0.051 0.000 0.772 55 E HN 0.708 nan 8.360 nan 0.000 0.491 56 E N 0.444 120.704 120.200 0.099 0.000 2.314 56 E HA 0.336 4.724 4.350 0.063 0.000 0.272 56 E C -0.783 175.874 176.600 0.095 0.000 0.884 56 E CA -0.855 55.589 56.400 0.073 0.000 0.753 56 E CB 1.729 31.457 29.700 0.046 0.000 1.213 56 E HN -0.128 nan 8.360 nan 0.000 0.432 57 T N -1.088 113.513 114.554 0.079 0.000 2.856 57 T HA 0.459 4.847 4.350 0.063 0.000 0.283 57 T C -0.098 174.666 174.700 0.106 0.000 1.008 57 T CA -0.820 61.346 62.100 0.109 0.000 0.997 57 T CB 1.349 70.304 68.868 0.146 0.000 0.992 57 T HN 0.291 nan 8.240 nan 0.000 0.454 58 V N 3.979 123.955 119.914 0.103 0.000 2.408 58 V HA 0.298 4.456 4.120 0.063 0.000 0.267 58 V C -0.115 176.090 176.094 0.184 0.000 1.047 58 V CA -0.746 61.613 62.300 0.100 0.000 0.937 58 V CB -0.243 31.590 31.823 0.016 0.000 0.999 58 V HN 0.867 nan 8.190 nan 0.000 0.472 59 F N 7.734 127.734 119.950 0.084 0.000 2.438 59 F HA 0.554 5.119 4.527 0.063 0.000 0.360 59 F C -0.595 175.284 175.800 0.132 0.000 1.118 59 F CA -0.475 57.590 58.000 0.108 0.000 1.164 59 F CB 0.141 39.200 39.000 0.099 0.000 1.131 59 F HN 0.535 nan 8.300 nan 0.000 0.527 60 Y N 4.380 124.327 120.300 -0.589 0.000 2.519 60 Y HA 0.535 5.124 4.550 0.065 0.000 0.336 60 Y C 0.082 175.688 175.900 -0.490 0.000 1.089 60 Y CA -0.627 57.171 58.100 -0.504 0.000 1.025 60 Y CB 1.981 40.257 38.460 -0.307 0.000 1.318 60 Y HN 0.714 nan 8.280 nan 0.000 0.452 61 G N 3.199 111.269 108.800 -1.218 0.000 2.284 61 G HA2 -0.263 3.735 3.960 0.063 0.000 0.201 61 G HA3 -0.263 3.735 3.960 0.063 0.000 0.201 61 G C 0.454 175.082 174.900 -0.454 0.000 0.998 61 G CA 0.178 44.725 45.100 -0.922 0.000 0.651 61 G HN 0.972 nan 8.290 nan 0.000 0.489 62 L N 1.359 122.288 121.223 -0.490 0.000 2.046 62 L HA 0.150 4.528 4.340 0.063 0.000 0.208 62 L C 2.642 179.389 176.870 -0.205 0.000 1.077 62 L CA 3.272 57.903 54.840 -0.349 0.000 0.747 62 L CB -0.569 41.287 42.059 -0.338 0.000 0.896 62 L HN 0.500 nan 8.230 nan 0.000 0.432 63 Q N -1.859 117.876 119.800 -0.109 0.000 2.135 63 Q HA -0.309 4.069 4.340 0.063 0.000 0.204 63 Q C 2.242 178.103 176.000 -0.231 0.000 0.981 63 Q CA 2.210 57.945 55.803 -0.113 0.000 0.856 63 Q CB -0.464 28.219 28.738 -0.091 0.000 0.902 63 Q HN 0.681 nan 8.270 nan 0.000 0.425 64 Y N 0.603 120.663 120.300 -0.400 0.000 2.097 64 Y HA -0.246 4.343 4.550 0.065 0.000 0.282 64 Y C 1.735 177.308 175.900 -0.544 0.000 1.152 64 Y CA 2.015 59.750 58.100 -0.608 0.000 1.136 64 Y CB -0.270 37.880 38.460 -0.518 0.000 0.975 64 Y HN 0.123 nan 8.280 nan 0.000 0.498 65 I N -0.160 120.180 120.570 -0.383 0.000 2.179 65 I HA -0.343 3.865 4.170 0.063 0.000 0.242 65 I C 2.394 178.322 176.117 -0.314 0.000 1.088 65 I CA 1.398 62.498 61.300 -0.332 0.000 1.357 65 I CB -0.538 37.376 38.000 -0.144 0.000 1.051 65 I HN 0.265 nan 8.210 nan 0.000 0.409 66 L N 0.375 121.446 121.223 -0.254 0.000 2.012 66 L HA -0.260 4.118 4.340 0.063 0.000 0.210 66 L C 2.361 179.167 176.870 -0.107 0.000 1.073 66 L CA 1.535 56.276 54.840 -0.165 0.000 0.748 66 L CB -0.833 41.201 42.059 -0.042 0.000 0.891 66 L HN 0.375 nan 8.230 nan 0.000 0.431 67 N N -0.046 118.557 118.700 -0.162 0.000 2.171 67 N HA -0.168 4.610 4.740 0.063 0.000 0.184 67 N C 1.870 177.269 175.510 -0.185 0.000 1.021 67 N CA 1.091 54.089 53.050 -0.088 0.000 0.854 67 N CB -0.006 38.513 38.487 0.053 0.000 0.994 67 N HN 0.317 nan 8.380 nan 0.000 0.426 68 K N -0.411 119.681 120.400 -0.514 0.000 2.155 68 K HA -0.085 4.273 4.320 0.063 0.000 0.203 68 K C 0.837 176.945 176.600 -0.819 0.000 1.052 68 K CA 1.167 56.971 56.287 -0.804 0.000 0.948 68 K CB 0.182 31.732 32.500 -1.584 0.000 0.728 68 K HN 0.138 nan 8.250 nan 0.000 0.448 69 Y N -1.235 118.824 120.300 -0.401 0.000 2.585 69 Y HA 0.200 4.788 4.550 0.063 0.000 0.272 69 Y C 1.445 177.285 175.900 -0.099 0.000 1.119 69 Y CA -0.110 57.750 58.100 -0.399 0.000 1.255 69 Y CB 0.497 38.615 38.460 -0.571 0.000 1.284 69 Y HN -0.124 nan 8.280 nan 0.000 0.499 70 L N 0.312 121.551 121.223 0.027 0.000 2.470 70 L HA 0.141 4.519 4.340 0.063 0.000 0.219 70 L C 0.709 177.704 176.870 0.208 0.000 1.071 70 L CA 0.058 54.911 54.840 0.021 0.000 0.850 70 L CB 0.072 41.936 42.059 -0.325 0.000 1.040 70 L HN -0.030 nan 8.230 nan 0.000 0.475 71 K N 0.673 121.211 120.400 0.231 0.000 2.126 71 K HA 0.555 4.913 4.320 0.063 0.000 0.257 71 K C 0.533 177.158 176.600 0.042 0.000 1.007 71 K CA 0.201 56.646 56.287 0.263 0.000 0.928 71 K CB 1.025 33.636 32.500 0.186 0.000 1.013 71 K HN 0.029 nan 8.250 nan 0.000 0.473 72 G N 1.141 109.884 108.800 -0.095 0.000 2.642 72 G HA2 -0.319 3.679 3.960 0.063 0.000 0.231 72 G HA3 -0.319 3.679 3.960 0.063 0.000 0.231 72 G C -1.031 173.423 174.900 -0.742 0.000 1.338 72 G CA 0.064 44.951 45.100 -0.355 0.000 0.883 72 G HN 0.859 nan 8.290 nan 0.000 0.570 73 K N 0.540 120.648 120.400 -0.487 0.000 2.228 73 K HA 0.415 4.774 4.320 0.063 0.000 0.284 73 K C 1.520 178.080 176.600 -0.066 0.000 1.088 73 K CA 0.319 56.465 56.287 -0.236 0.000 0.941 73 K CB 0.153 32.646 32.500 -0.011 0.000 1.158 73 K HN 1.213 nan 8.250 nan 0.000 0.438 74 V N 1.459 121.364 119.914 -0.015 0.000 3.621 74 V HA 0.179 4.337 4.120 0.063 0.000 0.285 74 V C 0.119 176.246 176.094 0.055 0.000 1.346 74 V CA -0.282 62.058 62.300 0.066 0.000 1.104 74 V CB 0.499 32.404 31.823 0.137 0.000 0.913 74 V HN 0.217 nan 8.190 nan 0.000 0.432 75 V N 2.091 122.052 119.914 0.079 0.000 2.495 75 V HA 0.754 4.912 4.120 0.063 0.000 0.298 75 V C 0.176 176.309 176.094 0.065 0.000 1.031 75 V CA 0.441 62.787 62.300 0.076 0.000 0.871 75 V CB 1.310 33.266 31.823 0.222 0.000 0.988 75 V HN 0.637 nan 8.190 nan 0.000 0.432 76 T N 0.298 114.869 114.554 0.027 0.000 2.887 76 T HA 0.451 4.839 4.350 0.063 0.000 0.292 76 T C 0.747 175.464 174.700 0.029 0.000 1.087 76 T CA -0.418 61.701 62.100 0.031 0.000 1.009 76 T CB 2.089 70.964 68.868 0.012 0.000 1.203 76 T HN 0.708 nan 8.240 nan 0.000 0.518 77 K N 0.334 120.754 120.400 0.033 0.000 2.148 77 K HA -0.089 4.269 4.320 0.063 0.000 0.204 77 K C 1.414 178.020 176.600 0.011 0.000 1.050 77 K CA 1.498 57.805 56.287 0.034 0.000 0.942 77 K CB -0.216 32.304 32.500 0.034 0.000 0.724 77 K HN 0.565 nan 8.250 nan 0.000 0.446 78 E N 1.400 121.596 120.200 -0.007 0.000 2.072 78 E HA -0.058 4.330 4.350 0.063 0.000 0.190 78 E C 1.768 178.332 176.600 -0.061 0.000 0.982 78 E CA 1.267 57.650 56.400 -0.029 0.000 0.803 78 E CB 0.058 29.741 29.700 -0.028 0.000 0.755 78 E HN 0.325 nan 8.360 nan 0.000 0.453 79 K N 0.162 120.519 120.400 -0.072 0.000 2.148 79 K HA -0.042 4.316 4.320 0.063 0.000 0.204 79 K C 2.049 178.553 176.600 -0.160 0.000 1.050 79 K CA 0.902 57.110 56.287 -0.133 0.000 0.942 79 K CB -0.097 32.318 32.500 -0.142 0.000 0.724 79 K HN 0.129 nan 8.250 nan 0.000 0.446 80 I N 0.745 121.271 120.570 -0.075 0.000 2.252 80 I HA -0.279 3.929 4.170 0.063 0.000 0.245 80 I C 2.619 178.722 176.117 -0.023 0.000 1.102 80 I CA 1.070 62.376 61.300 0.010 0.000 1.385 80 I CB -0.129 37.953 38.000 0.137 0.000 1.064 80 I HN 0.143 nan 8.210 nan 0.000 0.414 81 Q N 1.149 120.932 119.800 -0.028 0.000 2.084 81 Q HA -0.262 4.116 4.340 0.063 0.000 0.202 81 Q C 1.938 177.866 176.000 -0.119 0.000 0.978 81 Q CA 1.832 57.612 55.803 -0.039 0.000 0.844 81 Q CB -0.131 28.596 28.738 -0.019 0.000 0.898 81 Q HN 0.361 nan 8.270 nan 0.000 0.426 82 E N -0.318 119.786 120.200 -0.160 0.000 2.077 82 E HA -0.105 4.283 4.350 0.063 0.000 0.193 82 E C 1.717 178.111 176.600 -0.344 0.000 0.989 82 E CA 1.564 57.837 56.400 -0.212 0.000 0.800 82 E CB -0.599 28.983 29.700 -0.197 0.000 0.746 82 E HN 0.392 nan 8.360 nan 0.000 0.452 83 A N 1.077 123.623 122.820 -0.458 0.000 1.883 83 A HA -0.247 4.111 4.320 0.063 0.000 0.217 83 A C 2.213 179.303 177.584 -0.824 0.000 1.186 83 A CA 2.043 53.622 52.037 -0.762 0.000 0.624 83 A CB -0.686 17.824 19.000 -0.817 0.000 0.822 83 A HN 0.292 nan 8.150 nan 0.000 0.444 84 K N -0.584 119.424 120.400 -0.653 0.000 2.032 84 K HA -0.228 4.130 4.320 0.063 0.000 0.209 84 K C 1.387 177.927 176.600 -0.100 0.000 1.048 84 K CA 1.870 57.998 56.287 -0.264 0.000 0.927 84 K CB -0.250 32.279 32.500 0.049 0.000 0.712 84 K HN 0.405 nan 8.250 nan 0.000 0.441 85 D N 0.198 120.518 120.400 -0.134 0.000 2.117 85 D HA -0.132 4.546 4.640 0.063 0.000 0.198 85 D C 2.019 178.260 176.300 -0.098 0.000 0.982 85 D CA 1.034 54.985 54.000 -0.082 0.000 0.828 85 D CB -0.253 40.493 40.800 -0.089 0.000 0.967 85 D HN 0.048 nan 8.370 nan 0.000 0.464 86 V N 0.661 120.441 119.914 -0.223 0.000 2.261 86 V HA -0.259 3.899 4.120 0.063 0.000 0.246 86 V C 2.168 178.197 176.094 -0.108 0.000 1.047 86 V CA 1.413 63.558 62.300 -0.259 0.000 1.015 86 V CB -0.681 30.849 31.823 -0.487 0.000 0.642 86 V HN 0.144 nan 8.190 nan 0.000 0.446 87 Y N 0.529 120.832 120.300 0.004 0.000 2.352 87 Y HA -0.163 4.425 4.550 0.063 0.000 0.292 87 Y C 2.371 178.460 175.900 0.314 0.000 1.136 87 Y CA 1.351 59.594 58.100 0.238 0.000 1.227 87 Y CB -0.726 37.904 38.460 0.285 0.000 0.991 87 Y HN 0.206 nan 8.280 nan 0.000 0.545 88 K N 0.643 121.227 120.400 0.306 0.000 2.063 88 K HA -0.171 4.187 4.320 0.063 0.000 0.208 88 K C 1.741 178.456 176.600 0.193 0.000 1.048 88 K CA 1.796 58.220 56.287 0.230 0.000 0.928 88 K CB -0.030 32.553 32.500 0.138 0.000 0.713 88 K HN 0.126 nan 8.250 nan 0.000 0.442 89 E N -0.720 119.565 120.200 0.143 0.000 2.112 89 E HA -0.154 4.234 4.350 0.063 0.000 0.190 89 E C 2.079 178.749 176.600 0.117 0.000 0.979 89 E CA 0.922 57.382 56.400 0.100 0.000 0.814 89 E CB -0.480 29.250 29.700 0.049 0.000 0.762 89 E HN 0.544 nan 8.360 nan 0.000 0.460 90 H N -0.928 118.157 119.070 0.025 0.000 2.353 90 H HA -0.083 4.511 4.556 0.063 0.000 0.300 90 H C 1.195 176.397 175.328 -0.210 0.000 1.090 90 H CA 1.209 57.191 56.048 -0.109 0.000 1.327 90 H CB 0.119 29.805 29.762 -0.127 0.000 1.383 90 H HN 0.090 nan 8.280 nan 0.000 0.508 91 F N 0.246 120.245 119.950 0.081 0.000 2.746 91 F HA 0.090 4.655 4.527 0.063 0.000 0.297 91 F C 0.908 176.716 175.800 0.015 0.000 1.113 91 F CA 0.016 58.019 58.000 0.005 0.000 1.367 91 F CB 0.436 39.476 39.000 0.067 0.000 1.111 91 F HN 0.016 nan 8.300 nan 0.000 0.590 92 Q N 1.169 121.082 119.800 0.189 0.000 2.475 92 Q HA -0.260 4.118 4.340 0.063 0.000 0.280 92 Q C -0.919 175.165 176.000 0.140 0.000 1.234 92 Q CA 1.318 57.197 55.803 0.127 0.000 0.873 92 Q CB -1.887 26.895 28.738 0.072 0.000 1.256 92 Q HN 0.605 nan 8.270 nan 0.000 0.475 93 D N -1.473 119.040 120.400 0.189 0.000 2.685 93 D HA 0.170 4.848 4.640 0.063 0.000 0.236 93 D C -1.094 175.305 176.300 0.164 0.000 1.233 93 D CA -0.491 53.597 54.000 0.146 0.000 0.760 93 D CB 0.867 41.738 40.800 0.119 0.000 1.410 93 D HN -0.104 nan 8.370 nan 0.000 0.439 94 D N 2.306 122.779 120.400 0.121 0.000 2.706 94 D HA 0.043 4.721 4.640 0.063 0.000 0.236 94 D C 1.296 177.676 176.300 0.133 0.000 1.231 94 D CA 0.068 54.157 54.000 0.147 0.000 0.828 94 D CB 0.441 41.314 40.800 0.121 0.000 1.015 94 D HN 0.175 nan 8.370 nan 0.000 0.484 95 V N 0.699 120.653 119.914 0.066 0.000 2.720 95 V HA -0.111 4.047 4.120 0.063 0.000 0.256 95 V C 0.810 176.971 176.094 0.111 0.000 1.082 95 V CA 0.533 62.833 62.300 -0.001 0.000 1.101 95 V CB -0.711 30.953 31.823 -0.265 0.000 0.693 95 V HN 0.204 nan 8.190 nan 0.000 0.479 96 F N 2.222 122.173 119.950 0.001 0.000 2.623 96 F HA 0.101 4.666 4.527 0.063 0.000 0.383 96 F C 0.647 176.401 175.800 -0.076 0.000 1.077 96 F CA -0.075 57.937 58.000 0.020 0.000 1.268 96 F CB -0.040 39.079 39.000 0.199 0.000 1.053 96 F HN 0.152 nan 8.300 nan 0.000 0.571 97 N N 5.314 123.325 118.700 -1.148 0.000 2.895 97 N HA -0.037 4.741 4.740 0.063 0.000 0.277 97 N C 1.095 175.847 175.510 -1.263 0.000 1.185 97 N CA 0.311 52.537 53.050 -1.373 0.000 1.106 97 N CB -0.307 36.944 38.487 -2.061 0.000 1.422 97 N HN 0.891 nan 8.380 nan 0.000 0.521 98 E N 1.946 121.632 120.200 -0.856 0.000 2.077 98 E HA -0.226 4.162 4.350 0.063 0.000 0.193 98 E C 1.394 177.893 176.600 -0.168 0.000 0.989 98 E CA 0.967 57.158 56.400 -0.349 0.000 0.800 98 E CB 0.183 29.905 29.700 0.035 0.000 0.746 98 E HN 0.496 nan 8.360 nan 0.000 0.452 99 K N -0.241 120.043 120.400 -0.194 0.000 2.057 99 K HA -0.127 4.231 4.320 0.063 0.000 0.207 99 K C 2.108 178.657 176.600 -0.085 0.000 1.049 99 K CA 1.507 57.740 56.287 -0.090 0.000 0.931 99 K CB -0.391 32.062 32.500 -0.079 0.000 0.714 99 K HN 0.213 nan 8.250 nan 0.000 0.440 100 G N 0.031 108.645 108.800 -0.309 0.000 2.418 100 G HA2 -0.248 3.750 3.960 0.063 0.000 0.217 100 G HA3 -0.248 3.750 3.960 0.063 0.000 0.217 100 G C 1.089 175.952 174.900 -0.061 0.000 1.158 100 G CA 0.762 45.688 45.100 -0.290 0.000 0.771 100 G HN 0.455 nan 8.290 nan 0.000 0.545 101 W N 0.533 121.739 121.300 -0.157 0.000 2.418 101 W HA 0.069 4.767 4.660 0.063 0.000 0.292 101 W C 2.546 179.117 176.519 0.086 0.000 1.213 101 W CA 0.629 57.980 57.345 0.010 0.000 1.283 101 W CB -0.070 29.343 29.460 -0.079 0.000 1.119 101 W HN 0.169 nan 8.180 nan 0.000 0.542 102 N N -0.317 118.542 118.700 0.265 0.000 2.166 102 N HA -0.272 4.506 4.740 0.063 0.000 0.186 102 N C 1.734 177.355 175.510 0.186 0.000 1.019 102 N CA 1.312 54.480 53.050 0.197 0.000 0.856 102 N CB -0.393 38.174 38.487 0.133 0.000 0.993 102 N HN 0.209 nan 8.380 nan 0.000 0.426 103 Y N 1.880 122.231 120.300 0.086 0.000 2.128 103 Y HA -0.180 4.408 4.550 0.063 0.000 0.284 103 Y C 2.204 178.171 175.900 0.111 0.000 1.154 103 Y CA 1.666 59.810 58.100 0.075 0.000 1.149 103 Y CB -0.349 38.157 38.460 0.076 0.000 0.976 103 Y HN 0.038 nan 8.280 nan 0.000 0.505 104 I N -0.574 120.164 120.570 0.280 0.000 2.226 104 I HA -0.289 3.919 4.170 0.063 0.000 0.245 104 I C 2.323 178.562 176.117 0.202 0.000 1.100 104 I CA 1.258 62.724 61.300 0.276 0.000 1.374 104 I CB -0.510 37.662 38.000 0.286 0.000 1.057 104 I HN 0.330 nan 8.210 nan 0.000 0.413 105 L N 0.902 122.239 121.223 0.191 0.000 2.017 105 L HA -0.214 4.164 4.340 0.063 0.000 0.208 105 L C 2.361 179.260 176.870 0.047 0.000 1.073 105 L CA 1.967 56.892 54.840 0.142 0.000 0.745 105 L CB -0.579 41.567 42.059 0.143 0.000 0.894 105 L HN 0.192 nan 8.230 nan 0.000 0.432 106 E N -0.885 119.301 120.200 -0.024 0.000 2.072 106 E HA -0.214 4.174 4.350 0.063 0.000 0.190 106 E C 2.094 178.567 176.600 -0.212 0.000 0.982 106 E CA 1.039 57.382 56.400 -0.095 0.000 0.803 106 E CB 0.040 29.686 29.700 -0.090 0.000 0.755 106 E HN 0.322 nan 8.360 nan 0.000 0.453 107 K N -0.321 119.838 120.400 -0.402 0.000 2.137 107 K HA -0.028 4.330 4.320 0.063 0.000 0.202 107 K C 0.583 176.772 176.600 -0.685 0.000 1.052 107 K CA 0.868 56.741 56.287 -0.690 0.000 0.961 107 K CB 0.299 32.069 32.500 -1.216 0.000 0.741 107 K HN 0.065 nan 8.250 nan 0.000 0.452 108 Y N -0.053 120.185 120.300 -0.104 0.000 2.660 108 Y HA 0.214 4.802 4.550 0.064 0.000 0.254 108 Y C -0.404 175.518 175.900 0.036 0.000 1.176 108 Y CA -0.820 57.257 58.100 -0.039 0.000 1.195 108 Y CB 0.431 38.893 38.460 0.004 0.000 1.190 108 Y HN 0.056 nan 8.280 nan 0.000 0.535 109 D N 1.044 121.519 120.400 0.125 0.000 2.708 109 D HA -0.198 4.480 4.640 0.063 0.000 0.236 109 D C 1.380 177.864 176.300 0.306 0.000 1.146 109 D CA 1.551 55.652 54.000 0.168 0.000 0.662 109 D CB -1.092 39.781 40.800 0.121 0.000 1.059 109 D HN 0.741 nan 8.370 nan 0.000 0.428 110 G N -0.571 108.391 108.800 0.271 0.000 2.155 110 G HA2 -0.356 3.642 3.960 0.063 0.000 0.257 110 G HA3 -0.356 3.642 3.960 0.063 0.000 0.257 110 G C 0.130 175.172 174.900 0.236 0.000 0.983 110 G CA 0.486 45.735 45.100 0.247 0.000 0.676 110 G HN 0.692 nan 8.290 nan 0.000 0.528 111 H N -0.501 118.667 119.070 0.164 0.000 2.548 111 H HA 0.552 5.146 4.556 0.063 0.000 0.331 111 H C 1.006 176.391 175.328 0.094 0.000 1.093 111 H CA -0.466 55.658 56.048 0.127 0.000 1.367 111 H CB 0.820 30.625 29.762 0.072 0.000 1.455 111 H HN 0.219 nan 8.280 nan 0.000 0.519 112 L N 6.013 127.363 121.223 0.211 0.000 2.433 112 L HA 0.168 4.546 4.340 0.063 0.000 0.275 112 L C -1.752 175.133 176.870 0.025 0.000 1.128 112 L CA -1.752 53.172 54.840 0.140 0.000 0.875 112 L CB 0.496 42.695 42.059 0.233 0.000 1.171 112 L HN 0.500 nan 8.230 nan 0.000 0.463 113 P HA 0.160 nan 4.420 nan 0.000 0.241 113 P C -0.653 176.574 177.300 -0.121 0.000 1.760 113 P CA 0.213 63.132 63.100 -0.303 0.000 1.081 113 P CB -0.001 31.393 31.700 -0.510 0.000 1.975 114 I N 1.075 121.671 120.570 0.044 0.000 2.686 114 I HA 0.354 4.562 4.170 0.063 0.000 0.295 114 I C 0.155 176.411 176.117 0.232 0.000 1.114 114 I CA -0.923 60.459 61.300 0.136 0.000 1.038 114 I CB 2.922 41.028 38.000 0.177 0.000 1.238 114 I HN 0.143 nan 8.210 nan 0.000 0.420 115 E N 6.132 126.439 120.200 0.177 0.000 2.176 115 E HA 0.614 5.002 4.350 0.063 0.000 0.267 115 E C -1.478 175.245 176.600 0.206 0.000 0.893 115 E CA -0.524 55.992 56.400 0.193 0.000 0.761 115 E CB 1.762 31.534 29.700 0.120 0.000 1.133 115 E HN 0.449 nan 8.360 nan 0.000 0.409 116 I N 4.413 125.133 120.570 0.252 0.000 2.389 116 I HA 0.329 4.537 4.170 0.063 0.000 0.288 116 I C -0.443 175.783 176.117 0.181 0.000 0.999 116 I CA -0.701 60.721 61.300 0.202 0.000 1.129 116 I CB 1.648 39.737 38.000 0.149 0.000 1.288 116 I HN 0.287 nan 8.210 nan 0.000 0.444 117 K N 5.360 125.856 120.400 0.160 0.000 2.221 117 K HA 0.884 5.242 4.320 0.063 0.000 0.258 117 K C -0.923 175.754 176.600 0.129 0.000 0.944 117 K CA -0.613 55.752 56.287 0.129 0.000 0.823 117 K CB 2.522 35.075 32.500 0.089 0.000 1.113 117 K HN 0.673 nan 8.250 nan 0.000 0.431 118 A N 1.448 124.324 122.820 0.093 0.000 2.539 118 A HA 0.539 4.897 4.320 0.063 0.000 0.296 118 A C -0.550 176.971 177.584 -0.105 0.000 1.073 118 A CA -0.905 51.142 52.037 0.017 0.000 0.700 118 A CB 0.964 20.041 19.000 0.128 0.000 1.296 118 A HN 0.494 nan 8.150 nan 0.000 0.405 119 V N -0.741 118.974 119.914 -0.331 0.000 2.872 119 V HA 0.369 4.527 4.120 0.063 0.000 0.307 119 V C -2.477 173.453 176.094 -0.275 0.000 1.072 119 V CA -1.371 60.701 62.300 -0.381 0.000 1.148 119 V CB -0.412 31.163 31.823 -0.414 0.000 0.954 119 V HN 0.673 nan 8.190 nan 0.000 0.490 120 P HA 0.101 nan 4.420 nan 0.000 0.265 120 P C -0.092 176.964 177.300 -0.407 0.000 1.187 120 P CA 0.196 62.867 63.100 -0.716 0.000 0.766 120 P CB 0.244 31.385 31.700 -0.931 0.000 0.820 121 E N 1.594 121.509 120.200 -0.475 0.000 2.384 121 E HA 0.238 4.626 4.350 0.063 0.000 0.266 121 E C 1.263 177.856 176.600 -0.012 0.000 1.012 121 E CA 0.725 57.099 56.400 -0.043 0.000 0.901 121 E CB 0.064 29.779 29.700 0.024 0.000 0.967 121 E HN 0.780 nan 8.360 nan 0.000 0.435 122 G N 2.850 111.704 108.800 0.090 0.000 2.258 122 G HA2 -0.280 3.718 3.960 0.063 0.000 0.233 122 G HA3 -0.280 3.718 3.960 0.063 0.000 0.233 122 G C 0.063 175.057 174.900 0.157 0.000 1.006 122 G CA -0.438 44.685 45.100 0.039 0.000 0.620 122 G HN 0.443 nan 8.290 nan 0.000 0.511 123 F N 1.385 121.333 119.950 -0.003 0.000 2.629 123 F HA 0.405 4.970 4.527 0.064 0.000 0.377 123 F C 1.072 176.861 175.800 -0.018 0.000 1.101 123 F CA -0.027 57.972 58.000 -0.002 0.000 1.301 123 F CB 1.089 40.084 39.000 -0.009 0.000 1.062 123 F HN 0.025 nan 8.300 nan 0.000 0.583 124 V N 6.445 126.343 119.914 -0.027 0.000 2.333 124 V HA 0.321 4.479 4.120 0.063 0.000 0.274 124 V C 0.012 175.999 176.094 -0.179 0.000 1.028 124 V CA -0.575 61.695 62.300 -0.050 0.000 0.851 124 V CB 0.826 32.620 31.823 -0.049 0.000 1.000 124 V HN 0.329 nan 8.190 nan 0.000 0.456 125 I N 6.558 127.018 120.570 -0.182 0.000 2.465 125 I HA 0.480 4.688 4.170 0.063 0.000 0.291 125 I C -2.521 173.503 176.117 -0.155 0.000 1.014 125 I CA -2.762 58.304 61.300 -0.390 0.000 1.093 125 I CB 1.990 39.769 38.000 -0.368 0.000 1.267 125 I HN 0.333 nan 8.210 nan 0.000 0.431 126 P HA 0.092 nan 4.420 nan 0.000 0.268 126 P C 0.007 177.313 177.300 0.010 0.000 1.208 126 P CA -0.263 62.842 63.100 0.009 0.000 0.777 126 P CB 0.440 32.184 31.700 0.073 0.000 0.875 127 R N 1.683 122.206 120.500 0.038 0.000 2.756 127 R HA 0.207 4.585 4.340 0.063 0.000 0.264 127 R C 1.381 177.697 176.300 0.028 0.000 1.026 127 R CA 1.098 57.221 56.100 0.039 0.000 1.121 127 R CB -0.952 29.379 30.300 0.051 0.000 0.999 127 R HN 0.912 nan 8.270 nan 0.000 0.449 128 G N 1.449 110.261 108.800 0.020 0.000 2.160 128 G HA2 -0.304 3.694 3.960 0.063 0.000 0.244 128 G HA3 -0.304 3.694 3.960 0.063 0.000 0.244 128 G C -0.283 174.628 174.900 0.019 0.000 1.022 128 G CA 0.367 45.479 45.100 0.020 0.000 0.741 128 G HN 0.650 nan 8.290 nan 0.000 0.508 129 N N -1.529 117.179 118.700 0.013 0.000 2.272 129 N HA 0.542 5.320 4.740 0.063 0.000 0.305 129 N C -0.090 175.425 175.510 0.009 0.000 1.103 129 N CA -0.619 52.429 53.050 -0.002 0.000 0.791 129 N CB 2.644 41.115 38.487 -0.026 0.000 1.356 129 N HN 0.220 nan 8.380 nan 0.000 0.486 130 V N 3.262 123.170 119.914 -0.010 0.000 2.529 130 V HA 0.058 4.216 4.120 0.063 0.000 0.292 130 V C 0.487 176.553 176.094 -0.047 0.000 1.028 130 V CA 0.684 62.995 62.300 0.017 0.000 1.074 130 V CB -0.202 31.592 31.823 -0.047 0.000 0.958 130 V HN 0.637 nan 8.190 nan 0.000 0.481 131 L N 6.750 127.950 121.223 -0.039 0.000 2.467 131 L HA 0.402 4.780 4.340 0.063 0.000 0.213 131 L C 0.212 176.962 176.870 -0.200 0.000 1.053 131 L CA 0.304 55.029 54.840 -0.192 0.000 0.847 131 L CB 0.064 42.106 42.059 -0.028 0.000 1.075 131 L HN 0.746 nan 8.230 nan 0.000 0.479 132 F N -1.516 118.398 119.950 -0.060 0.000 2.668 132 F HA 0.672 5.236 4.527 0.062 0.000 0.309 132 F C -0.635 175.187 175.800 0.037 0.000 1.117 132 F CA -1.011 56.969 58.000 -0.034 0.000 0.951 132 F CB 1.154 40.161 39.000 0.012 0.000 1.323 132 F HN -0.198 nan 8.300 nan 0.000 0.451 133 T N -0.299 114.373 114.554 0.197 0.000 2.907 133 T HA 0.846 5.234 4.350 0.063 0.000 0.292 133 T C -1.448 173.293 174.700 0.068 0.000 1.043 133 T CA -0.849 61.226 62.100 -0.042 0.000 1.003 133 T CB 1.708 70.425 68.868 -0.251 0.000 1.084 133 T HN 0.803 nan 8.240 nan 0.000 0.483 134 V N 2.307 122.180 119.914 -0.069 0.000 2.709 134 V HA 0.733 4.891 4.120 0.063 0.000 0.308 134 V C -0.622 175.460 176.094 -0.019 0.000 1.062 134 V CA -0.844 61.509 62.300 0.089 0.000 0.901 134 V CB 1.541 33.566 31.823 0.337 0.000 1.003 134 V HN 1.166 nan 8.190 nan 0.000 0.425 135 E N 3.005 123.247 120.200 0.071 0.000 2.390 135 E HA 0.427 4.815 4.350 0.063 0.000 0.277 135 E C -1.507 175.143 176.600 0.083 0.000 0.939 135 E CA -1.013 55.457 56.400 0.116 0.000 0.769 135 E CB 2.128 31.970 29.700 0.236 0.000 1.251 135 E HN 0.626 nan 8.360 nan 0.000 0.450 136 N N 1.005 119.731 118.700 0.044 0.000 2.530 136 N HA 0.033 4.811 4.740 0.063 0.000 0.277 136 N C 0.478 175.991 175.510 0.005 0.000 1.168 136 N CA 0.040 53.072 53.050 -0.030 0.000 0.979 136 N CB 1.495 39.910 38.487 -0.120 0.000 1.141 136 N HN 0.689 nan 8.380 nan 0.000 0.459 137 T N -3.508 111.028 114.554 -0.031 0.000 3.040 137 T HA 0.046 4.434 4.350 0.063 0.000 0.250 137 T C -0.034 174.667 174.700 0.001 0.000 1.058 137 T CA -0.020 62.074 62.100 -0.011 0.000 0.988 137 T CB 0.068 68.911 68.868 -0.041 0.000 0.993 137 T HN 0.548 nan 8.240 nan 0.000 0.519 138 D N 1.401 121.796 120.400 -0.009 0.000 2.502 138 D HA 0.362 5.040 4.640 0.063 0.000 0.249 138 D C -2.216 174.110 176.300 0.043 0.000 1.092 138 D CA -2.393 51.652 54.000 0.076 0.000 0.839 138 D CB 2.600 43.519 40.800 0.197 0.000 1.264 138 D HN -0.187 nan 8.370 nan 0.000 0.511 139 P HA -0.114 nan 4.420 nan 0.000 0.218 139 P C 0.915 178.255 177.300 0.066 0.000 1.146 139 P CA 0.833 63.961 63.100 0.047 0.000 0.813 139 P CB 0.489 32.211 31.700 0.036 0.000 0.778 140 E N -1.444 118.758 120.200 0.004 0.000 2.274 140 E HA -0.067 4.321 4.350 0.063 0.000 0.194 140 E C 0.780 177.365 176.600 -0.026 0.000 0.996 140 E CA 0.764 57.118 56.400 -0.077 0.000 0.840 140 E CB -0.513 28.837 29.700 -0.584 0.000 0.772 140 E HN 0.271 nan 8.360 nan 0.000 0.491 141 C N 1.600 120.783 119.300 -0.196 0.000 2.470 141 C HA 0.157 4.655 4.460 0.063 0.000 0.311 141 C C 1.822 176.356 174.990 -0.760 0.000 1.387 141 C CA -1.081 57.497 59.018 -0.733 0.000 1.783 141 C CB -2.233 25.129 27.740 -0.629 0.000 2.416 141 C HN 0.475 nan 8.230 nan 0.000 0.558 142 Y N 0.427 120.508 120.300 -0.365 0.000 2.181 142 Y HA -0.255 4.333 4.550 0.063 0.000 0.284 142 Y C 2.215 177.940 175.900 -0.293 0.000 1.179 142 Y CA 1.896 59.837 58.100 -0.265 0.000 1.179 142 Y CB -0.936 37.426 38.460 -0.164 0.000 0.973 142 Y HN 0.623 nan 8.280 nan 0.000 0.519 143 W N 0.353 121.048 121.300 -1.008 0.000 2.595 143 W HA 0.017 4.715 4.660 0.063 0.000 0.257 143 W C 1.332 177.760 176.519 -0.152 0.000 1.267 143 W CA 0.352 57.362 57.345 -0.560 0.000 1.300 143 W CB -0.924 28.177 29.460 -0.599 0.000 1.120 143 W HN 0.273 nan 8.180 nan 0.000 0.618 144 L N 2.498 123.172 121.223 -0.915 0.000 2.156 144 L HA -0.035 4.343 4.340 0.063 0.000 0.208 144 L C 2.396 179.195 176.870 -0.117 0.000 1.095 144 L CA 2.260 56.661 54.840 -0.732 0.000 0.770 144 L CB -1.005 40.332 42.059 -1.204 0.000 0.914 144 L HN -0.180 nan 8.230 nan 0.000 0.439 145 T N -0.022 114.483 114.554 -0.081 0.000 2.635 145 T HA -0.223 4.165 4.350 0.063 0.000 0.267 145 T C 1.659 176.517 174.700 0.264 0.000 1.040 145 T CA 2.158 64.319 62.100 0.101 0.000 1.156 145 T CB -0.353 68.574 68.868 0.098 0.000 0.863 145 T HN 0.481 nan 8.240 nan 0.000 0.430 146 N N -0.441 118.447 118.700 0.314 0.000 2.353 146 N HA -0.007 4.772 4.740 0.063 0.000 0.185 146 N C 1.494 177.203 175.510 0.331 0.000 1.098 146 N CA -0.113 53.160 53.050 0.372 0.000 0.872 146 N CB 0.080 38.831 38.487 0.439 0.000 0.970 146 N HN 0.484 nan 8.380 nan 0.000 0.467 147 W N 2.921 124.355 121.300 0.223 0.000 2.338 147 W HA -0.120 4.578 4.660 0.063 0.000 0.304 147 W C 1.528 178.152 176.519 0.175 0.000 1.212 147 W CA 1.060 58.561 57.345 0.259 0.000 1.264 147 W CB -0.038 29.658 29.460 0.394 0.000 1.142 147 W HN 0.003 nan 8.180 nan 0.000 0.512 148 I N -0.903 119.904 120.570 0.395 0.000 3.735 148 I HA 0.043 4.251 4.170 0.063 0.000 0.310 148 I C 1.844 177.932 176.117 -0.047 0.000 1.270 148 I CA 0.787 62.217 61.300 0.217 0.000 1.207 148 I CB -0.697 37.415 38.000 0.187 0.000 1.013 148 I HN -0.019 nan 8.210 nan 0.000 0.452 149 E N 2.235 122.325 120.200 -0.183 0.000 2.038 149 E HA -0.233 4.155 4.350 0.063 0.000 0.195 149 E C 1.804 178.216 176.600 -0.315 0.000 1.000 149 E CA 2.660 58.683 56.400 -0.628 0.000 0.803 149 E CB -0.108 29.302 29.700 -0.484 0.000 0.750 149 E HN 0.569 nan 8.360 nan 0.000 0.448 150 T N 1.414 115.900 114.554 -0.112 0.000 2.665 150 T HA -0.206 4.182 4.350 0.063 0.000 0.268 150 T C 1.960 176.659 174.700 -0.002 0.000 1.035 150 T CA 1.544 63.631 62.100 -0.020 0.000 1.151 150 T CB -0.362 68.503 68.868 -0.005 0.000 0.862 150 T HN 0.265 nan 8.240 nan 0.000 0.438 151 I N 0.236 120.796 120.570 -0.016 0.000 2.315 151 I HA -0.054 4.154 4.170 0.063 0.000 0.248 151 I C 2.007 178.107 176.117 -0.028 0.000 1.117 151 I CA 1.124 62.409 61.300 -0.025 0.000 1.404 151 I CB -0.028 37.962 38.000 -0.016 0.000 1.071 151 I HN 0.198 nan 8.210 nan 0.000 0.419 152 L N -0.735 120.460 121.223 -0.047 0.000 2.109 152 L HA -0.125 4.253 4.340 0.063 0.000 0.207 152 L C 2.407 179.338 176.870 0.102 0.000 1.086 152 L CA 0.545 55.373 54.840 -0.021 0.000 0.760 152 L CB -0.451 41.622 42.059 0.023 0.000 0.910 152 L HN 0.057 nan 8.230 nan 0.000 0.437 153 V N -0.309 119.687 119.914 0.136 0.000 2.594 153 V HA -0.273 3.885 4.120 0.063 0.000 0.253 153 V C 2.302 178.657 176.094 0.435 0.000 1.069 153 V CA 1.415 63.935 62.300 0.368 0.000 1.082 153 V CB -0.513 31.504 31.823 0.323 0.000 0.680 153 V HN 0.518 nan 8.190 nan 0.000 0.469 154 Q N 0.233 120.188 119.800 0.258 0.000 2.439 154 Q HA -0.162 4.216 4.340 0.063 0.000 0.211 154 Q C 2.301 178.252 176.000 -0.082 0.000 0.978 154 Q CA 1.434 57.327 55.803 0.150 0.000 0.897 154 Q CB -0.260 28.512 28.738 0.056 0.000 0.956 154 Q HN 0.839 nan 8.270 nan 0.000 0.483 155 S N 0.543 116.225 115.700 -0.031 0.000 2.500 155 S HA -0.150 4.358 4.470 0.063 0.000 0.239 155 S C 1.580 176.147 174.600 -0.055 0.000 0.989 155 S CA 0.542 58.657 58.200 -0.142 0.000 0.951 155 S CB -0.791 62.275 63.200 -0.224 0.000 0.759 155 S HN 0.694 nan 8.310 nan 0.000 0.523 156 W N 0.877 122.273 121.300 0.160 0.000 2.325 156 W HA -0.265 4.432 4.660 0.060 0.000 0.299 156 W C 1.805 178.437 176.519 0.190 0.000 1.215 156 W CA 0.936 58.445 57.345 0.274 0.000 1.244 156 W CB -1.131 28.517 29.460 0.313 0.000 1.140 156 W HN 0.393 nan 8.180 nan 0.000 0.523 157 Y N 4.055 123.669 120.300 -1.143 0.000 2.092 157 Y HA -0.090 4.498 4.550 0.064 0.000 0.282 157 Y C -0.073 175.548 175.900 -0.465 0.000 1.126 157 Y CA 2.164 59.491 58.100 -1.288 0.000 1.111 157 Y CB -1.941 35.648 38.460 -1.453 0.000 0.987 157 Y HN -0.246 nan 8.280 nan 0.000 0.489 158 P HA -0.190 nan 4.420 nan 0.000 0.216 158 P C 1.817 179.024 177.300 -0.156 0.000 1.150 158 P CA 2.035 64.928 63.100 -0.346 0.000 0.837 158 P CB -0.177 31.354 31.700 -0.282 0.000 0.786 159 I N -0.200 120.305 120.570 -0.108 0.000 2.163 159 I HA -0.237 3.971 4.170 0.063 0.000 0.243 159 I C 2.316 178.449 176.117 0.028 0.000 1.085 159 I CA 2.004 63.319 61.300 0.025 0.000 1.347 159 I CB -1.213 36.886 38.000 0.165 0.000 1.044 159 I HN 0.004 nan 8.210 nan 0.000 0.408 160 T N 0.142 114.710 114.554 0.024 0.000 2.812 160 T HA -0.087 4.301 4.350 0.063 0.000 0.264 160 T C 1.999 176.658 174.700 -0.068 0.000 1.042 160 T CA 1.091 63.211 62.100 0.032 0.000 1.140 160 T CB -0.255 68.757 68.868 0.239 0.000 0.870 160 T HN 0.095 nan 8.240 nan 0.000 0.445 161 V N 1.853 121.638 119.914 -0.215 0.000 2.343 161 V HA -0.161 3.997 4.120 0.063 0.000 0.247 161 V C 2.923 178.968 176.094 -0.082 0.000 1.051 161 V CA 1.718 63.891 62.300 -0.211 0.000 1.036 161 V CB -1.226 30.330 31.823 -0.446 0.000 0.654 161 V HN 0.524 nan 8.190 nan 0.000 0.451 162 A N -0.301 122.467 122.820 -0.087 0.000 1.902 162 A HA -0.214 4.144 4.320 0.063 0.000 0.217 162 A C 2.404 179.981 177.584 -0.011 0.000 1.181 162 A CA 2.510 54.508 52.037 -0.065 0.000 0.623 162 A CB -0.942 18.003 19.000 -0.091 0.000 0.818 162 A HN 0.505 nan 8.150 nan 0.000 0.443 163 T N 0.046 114.610 114.554 0.017 0.000 2.701 163 T HA -0.145 4.243 4.350 0.063 0.000 0.263 163 T C 1.971 176.752 174.700 0.135 0.000 1.040 163 T CA 1.655 63.797 62.100 0.069 0.000 1.147 163 T CB -0.447 68.460 68.868 0.065 0.000 0.865 163 T HN 0.644 nan 8.240 nan 0.000 0.426 164 N N 0.776 119.541 118.700 0.108 0.000 2.166 164 N HA -0.097 4.681 4.740 0.063 0.000 0.186 164 N C 2.008 177.629 175.510 0.185 0.000 1.019 164 N CA 1.532 54.707 53.050 0.208 0.000 0.856 164 N CB -0.385 38.172 38.487 0.116 0.000 0.993 164 N HN 0.225 nan 8.380 nan 0.000 0.426 165 S N -0.145 115.649 115.700 0.158 0.000 2.368 165 S HA -0.116 4.392 4.470 0.063 0.000 0.225 165 S C 2.015 176.767 174.600 0.255 0.000 1.030 165 S CA 1.089 59.442 58.200 0.255 0.000 0.999 165 S CB -0.339 63.058 63.200 0.328 0.000 0.844 165 S HN 0.418 nan 8.310 nan 0.000 0.459 166 R N 0.406 120.976 120.500 0.118 0.000 2.092 166 R HA -0.028 4.350 4.340 0.063 0.000 0.231 166 R C 2.117 178.455 176.300 0.064 0.000 1.119 166 R CA 1.508 57.628 56.100 0.032 0.000 0.970 166 R CB -0.187 30.103 30.300 -0.016 0.000 0.864 166 R HN 0.363 nan 8.270 nan 0.000 0.440 167 E N 0.643 120.909 120.200 0.110 0.000 2.150 167 E HA -0.205 4.183 4.350 0.063 0.000 0.193 167 E C 1.965 178.604 176.600 0.064 0.000 0.985 167 E CA 1.191 57.639 56.400 0.080 0.000 0.814 167 E CB -0.038 29.722 29.700 0.101 0.000 0.752 167 E HN 0.539 nan 8.360 nan 0.000 0.466 168 Q N 0.410 120.274 119.800 0.106 0.000 2.119 168 Q HA -0.102 4.276 4.340 0.063 0.000 0.201 168 Q C 2.173 178.268 176.000 0.157 0.000 0.972 168 Q CA 1.033 56.887 55.803 0.085 0.000 0.847 168 Q CB -0.064 28.714 28.738 0.067 0.000 0.903 168 Q HN 0.094 nan 8.270 nan 0.000 0.433 169 K N 1.182 121.730 120.400 0.246 0.000 2.097 169 K HA -0.173 4.185 4.320 0.063 0.000 0.206 169 K C 1.799 178.437 176.600 0.063 0.000 1.049 169 K CA 1.190 57.586 56.287 0.181 0.000 0.933 169 K CB 0.158 32.571 32.500 -0.146 0.000 0.717 169 K HN 0.020 nan 8.250 nan 0.000 0.442 170 K N 0.353 120.775 120.400 0.036 0.000 2.057 170 K HA -0.129 4.229 4.320 0.063 0.000 0.207 170 K C 2.094 178.727 176.600 0.055 0.000 1.049 170 K CA 1.637 57.937 56.287 0.022 0.000 0.931 170 K CB -0.156 32.349 32.500 0.009 0.000 0.714 170 K HN 0.171 nan 8.250 nan 0.000 0.440 171 I N 1.125 121.737 120.570 0.069 0.000 2.142 171 I HA -0.303 3.905 4.170 0.063 0.000 0.240 171 I C 2.246 178.470 176.117 0.177 0.000 1.078 171 I CA 1.245 62.616 61.300 0.119 0.000 1.343 171 I CB -0.295 37.719 38.000 0.023 0.000 1.046 171 I HN 0.097 nan 8.210 nan 0.000 0.405 172 L N 0.510 121.800 121.223 0.112 0.000 2.042 172 L HA -0.235 4.143 4.340 0.063 0.000 0.210 172 L C 2.845 179.802 176.870 0.146 0.000 1.076 172 L CA 1.486 56.410 54.840 0.141 0.000 0.749 172 L CB -0.737 41.426 42.059 0.174 0.000 0.893 172 L HN 0.265 nan 8.230 nan 0.000 0.432 173 A N 0.051 122.931 122.820 0.099 0.000 1.877 173 A HA -0.275 4.083 4.320 0.063 0.000 0.216 173 A C 2.387 179.994 177.584 0.038 0.000 1.186 173 A CA 2.100 54.169 52.037 0.052 0.000 0.620 173 A CB -0.504 18.502 19.000 0.009 0.000 0.822 173 A HN 0.368 nan 8.150 nan 0.000 0.443 174 K N -1.645 118.782 120.400 0.044 0.000 2.032 174 K HA -0.203 4.155 4.320 0.063 0.000 0.209 174 K C 1.812 178.346 176.600 -0.110 0.000 1.048 174 K CA 2.024 58.286 56.287 -0.042 0.000 0.927 174 K CB -0.380 32.087 32.500 -0.055 0.000 0.712 174 K HN 0.546 nan 8.250 nan 0.000 0.441 175 Y N 0.108 120.395 120.300 -0.023 0.000 2.337 175 Y HA -0.098 4.610 4.550 0.264 0.000 0.293 175 Y C 2.006 177.870 175.900 -0.060 0.000 1.123 175 Y CA 0.548 58.624 58.100 -0.040 0.000 1.201 175 Y CB 0.019 38.470 38.460 -0.015 0.000 1.011 175 Y HN 0.103 nan 8.280 nan 0.000 0.545 176 L N -0.577 120.713 121.223 0.111 0.000 2.056 176 L HA -0.149 4.229 4.340 0.063 0.000 0.207 176 L C 2.098 178.964 176.870 -0.006 0.000 1.078 176 L CA 1.364 56.234 54.840 0.051 0.000 0.749 176 L CB -0.780 41.324 42.059 0.074 0.000 0.901 176 L HN 0.217 nan 8.230 nan 0.000 0.433 177 L N -0.294 120.919 121.223 -0.016 0.000 2.056 177 L HA -0.198 4.180 4.340 0.063 0.000 0.207 177 L C 2.503 179.335 176.870 -0.064 0.000 1.078 177 L CA 2.001 56.820 54.840 -0.035 0.000 0.749 177 L CB -0.681 41.356 42.059 -0.037 0.000 0.901 177 L HN 0.495 nan 8.230 nan 0.000 0.433 178 E N -1.284 118.851 120.200 -0.109 0.000 2.077 178 E HA -0.225 4.163 4.350 0.063 0.000 0.193 178 E C 1.778 178.262 176.600 -0.193 0.000 0.989 178 E CA 1.750 58.065 56.400 -0.141 0.000 0.800 178 E CB -0.047 29.523 29.700 -0.217 0.000 0.746 178 E HN 0.674 nan 8.360 nan 0.000 0.452 179 T N -2.497 111.872 114.554 -0.307 0.000 3.065 179 T HA 0.058 4.446 4.350 0.063 0.000 0.252 179 T C 1.654 176.232 174.700 -0.202 0.000 1.099 179 T CA 0.776 62.512 62.100 -0.607 0.000 1.063 179 T CB 0.356 68.793 68.868 -0.717 0.000 0.948 179 T HN 0.157 nan 8.240 nan 0.000 0.506 180 S N -0.726 114.927 115.700 -0.079 0.000 2.648 180 S HA 0.520 5.028 4.470 0.063 0.000 0.270 180 S C 1.794 176.399 174.600 0.007 0.000 1.082 180 S CA 0.615 58.812 58.200 -0.006 0.000 1.116 180 S CB 0.071 63.272 63.200 0.001 0.000 1.040 180 S HN 1.197 nan 8.310 nan 0.000 0.572 181 G N 1.871 110.667 108.800 -0.005 0.000 2.176 181 G HA2 -0.195 3.803 3.960 0.063 0.000 0.232 181 G HA3 -0.195 3.803 3.960 0.063 0.000 0.232 181 G C -0.210 174.688 174.900 -0.002 0.000 0.986 181 G CA 0.314 45.414 45.100 0.000 0.000 0.643 181 G HN 1.176 nan 8.290 nan 0.000 0.522 182 N N -1.565 117.134 118.700 -0.001 0.000 3.039 182 N HA 0.662 5.440 4.740 0.063 0.000 0.257 182 N C 0.060 175.573 175.510 0.006 0.000 1.497 182 N CA -1.012 52.039 53.050 0.002 0.000 0.861 182 N CB 0.421 38.911 38.487 0.005 0.000 1.479 182 N HN 0.040 nan 8.380 nan 0.000 0.547 183 L N -0.707 120.520 121.223 0.008 0.000 3.066 183 L HA 0.403 4.781 4.340 0.063 0.000 0.265 183 L C -0.793 176.093 176.870 0.027 0.000 1.232 183 L CA -0.478 54.371 54.840 0.015 0.000 1.031 183 L CB -0.295 41.763 42.059 -0.002 0.000 1.379 183 L HN 0.476 nan 8.230 nan 0.000 0.563 184 D N 1.708 122.126 120.400 0.029 0.000 2.487 184 D HA 0.243 4.921 4.640 0.063 0.000 0.243 184 D C 1.351 177.692 176.300 0.068 0.000 1.154 184 D CA 1.410 55.434 54.000 0.040 0.000 0.876 184 D CB 0.978 41.794 40.800 0.028 0.000 1.161 184 D HN 0.358 nan 8.370 nan 0.000 0.478 185 G N 1.950 110.812 108.800 0.103 0.000 2.148 185 G HA2 -0.346 3.652 3.960 0.063 0.000 0.254 185 G HA3 -0.346 3.652 3.960 0.063 0.000 0.254 185 G C 1.015 176.038 174.900 0.204 0.000 0.981 185 G CA 0.487 45.697 45.100 0.182 0.000 0.670 185 G HN 0.523 nan 8.290 nan 0.000 0.528 186 L N 0.782 122.082 121.223 0.129 0.000 2.079 186 L HA 0.118 4.496 4.340 0.063 0.000 0.210 186 L C 2.157 179.125 176.870 0.163 0.000 1.081 186 L CA 3.015 57.932 54.840 0.129 0.000 0.752 186 L CB -0.336 41.748 42.059 0.041 0.000 0.896 186 L HN 0.445 nan 8.230 nan 0.000 0.433 187 E N -2.089 118.126 120.200 0.025 0.000 2.515 187 E HA -0.174 4.214 4.350 0.063 0.000 0.201 187 E C 0.436 176.972 176.600 -0.107 0.000 1.071 187 E CA 0.476 56.790 56.400 -0.143 0.000 0.880 187 E CB 0.039 29.545 29.700 -0.322 0.000 0.828 187 E HN 0.689 nan 8.360 nan 0.000 0.540 188 Y N -1.556 118.913 120.300 0.281 0.000 2.588 188 Y HA 0.207 4.792 4.550 0.058 0.000 0.247 188 Y C 1.284 177.296 175.900 0.188 0.000 1.157 188 Y CA -0.440 57.799 58.100 0.232 0.000 1.215 188 Y CB 0.781 39.329 38.460 0.146 0.000 1.245 188 Y HN -0.152 nan 8.280 nan 0.000 0.534 189 K N 0.238 120.835 120.400 0.329 0.000 2.365 189 K HA 0.119 4.477 4.320 0.063 0.000 0.197 189 K C -0.217 176.427 176.600 0.073 0.000 1.042 189 K CA 0.450 56.871 56.287 0.223 0.000 0.987 189 K CB 0.359 33.031 32.500 0.287 0.000 0.779 189 K HN 0.131 nan 8.250 nan 0.000 0.484 190 L N 0.816 121.875 121.223 -0.274 0.000 2.415 190 L HA 0.274 4.652 4.340 0.063 0.000 0.268 190 L C -1.365 175.313 176.870 -0.320 0.000 0.984 190 L CA -0.691 53.861 54.840 -0.479 0.000 0.853 190 L CB 1.119 42.598 42.059 -0.967 0.000 1.215 190 L HN 0.003 nan 8.230 nan 0.000 0.419 191 H N 2.475 121.387 119.070 -0.264 0.000 2.473 191 H HA 0.328 4.920 4.556 0.059 0.000 0.327 191 H C -0.709 174.466 175.328 -0.255 0.000 1.105 191 H CA -0.260 55.703 56.048 -0.143 0.000 1.280 191 H CB 1.108 30.814 29.762 -0.093 0.000 1.450 191 H HN 0.600 nan 8.280 nan 0.000 0.492 192 D N 4.211 124.491 120.400 -0.200 0.000 2.338 192 D HA -0.040 4.638 4.640 0.063 0.000 0.255 192 D C -0.370 176.136 176.300 0.343 0.000 1.237 192 D CA 0.168 54.091 54.000 -0.128 0.000 0.883 192 D CB 0.039 40.741 40.800 -0.164 0.000 1.087 192 D HN 0.447 nan 8.370 nan 0.000 0.485 193 F N 1.620 121.580 119.950 0.017 0.000 2.639 193 F HA 0.311 4.886 4.527 0.080 0.000 0.302 193 F C 2.058 177.896 175.800 0.062 0.000 1.097 193 F CA -0.600 57.443 58.000 0.071 0.000 1.294 193 F CB 0.563 39.595 39.000 0.054 0.000 1.027 193 F HN 0.502 nan 8.300 nan 0.000 0.550 194 G N -1.896 107.028 108.800 0.206 0.000 3.141 194 G HA2 -0.142 3.856 3.960 0.063 0.000 0.218 194 G HA3 -0.142 3.856 3.960 0.063 0.000 0.218 194 G C 1.445 176.455 174.900 0.183 0.000 1.170 194 G CA -0.039 45.151 45.100 0.149 0.000 0.769 194 G HN 0.379 nan 8.290 nan 0.000 0.546 195 Y N 1.808 122.141 120.300 0.055 0.000 2.128 195 Y HA -0.289 4.299 4.550 0.062 0.000 0.284 195 Y C 3.043 178.960 175.900 0.027 0.000 1.154 195 Y CA 1.672 59.792 58.100 0.034 0.000 1.149 195 Y CB 0.235 38.709 38.460 0.024 0.000 0.976 195 Y HN 0.321 nan 8.280 nan 0.000 0.505 196 R N -0.361 120.250 120.500 0.185 0.000 2.189 196 R HA -0.007 4.371 4.340 0.063 0.000 0.218 196 R C 1.875 178.223 176.300 0.081 0.000 1.074 196 R CA 1.315 57.455 56.100 0.067 0.000 0.991 196 R CB -0.703 29.607 30.300 0.017 0.000 0.883 196 R HN 0.290 nan 8.270 nan 0.000 0.457 197 G N 1.744 110.609 108.800 0.107 0.000 3.088 197 G HA2 0.187 4.185 3.960 0.063 0.000 0.217 197 G HA3 0.187 4.185 3.960 0.063 0.000 0.217 197 G C 0.535 175.486 174.900 0.086 0.000 1.159 197 G CA 0.216 45.369 45.100 0.088 0.000 0.760 197 G HN 0.205 nan 8.290 nan 0.000 0.550 198 V N -1.575 118.399 119.914 0.101 0.000 3.234 198 V HA 0.604 4.762 4.120 0.063 0.000 0.317 198 V C 1.376 177.501 176.094 0.052 0.000 1.081 198 V CA 0.260 62.606 62.300 0.077 0.000 1.037 198 V CB 1.314 33.187 31.823 0.082 0.000 1.148 198 V HN 0.118 nan 8.190 nan 0.000 0.453 199 S N -0.156 115.552 115.700 0.014 0.000 2.496 199 S HA 0.207 4.715 4.470 0.063 0.000 0.224 199 S C 0.771 175.378 174.600 0.012 0.000 0.996 199 S CA 0.381 58.585 58.200 0.006 0.000 0.927 199 S CB -0.611 62.579 63.200 -0.018 0.000 0.774 199 S HN 1.729 nan 8.310 nan 0.000 0.524 200 S N -0.951 114.761 115.700 0.020 0.000 2.611 200 S HA 0.416 4.924 4.470 0.063 0.000 0.268 200 S C 0.017 174.665 174.600 0.080 0.000 1.156 200 S CA -0.863 57.361 58.200 0.039 0.000 0.817 200 S CB 0.996 64.206 63.200 0.016 0.000 1.122 200 S HN -0.094 nan 8.310 nan 0.000 0.466 201 Q N 0.998 120.858 119.800 0.101 0.000 2.084 201 Q HA -0.122 4.256 4.340 0.063 0.000 0.202 201 Q C 1.798 177.849 176.000 0.084 0.000 0.978 201 Q CA 2.116 58.007 55.803 0.148 0.000 0.844 201 Q CB -0.456 28.362 28.738 0.133 0.000 0.898 201 Q HN 0.927 nan 8.270 nan 0.000 0.426 202 E N -0.202 120.033 120.200 0.058 0.000 2.072 202 E HA -0.128 4.260 4.350 0.063 0.000 0.191 202 E C 1.727 178.316 176.600 -0.019 0.000 0.985 202 E CA 1.366 57.790 56.400 0.041 0.000 0.801 202 E CB 0.222 29.971 29.700 0.082 0.000 0.750 202 E HN 0.230 nan 8.360 nan 0.000 0.452 203 T N 0.680 115.209 114.554 -0.041 0.000 2.720 203 T HA -0.180 4.208 4.350 0.063 0.000 0.268 203 T C 1.817 176.513 174.700 -0.008 0.000 1.037 203 T CA 1.334 63.375 62.100 -0.099 0.000 1.144 203 T CB -0.350 68.397 68.868 -0.203 0.000 0.864 203 T HN 0.352 nan 8.240 nan 0.000 0.444 204 A N 1.338 124.148 122.820 -0.017 0.000 1.892 204 A HA -0.000 4.358 4.320 0.063 0.000 0.218 204 A C 2.614 180.091 177.584 -0.178 0.000 1.188 204 A CA 2.125 54.101 52.037 -0.101 0.000 0.631 204 A CB -1.428 17.470 19.000 -0.171 0.000 0.822 204 A HN 0.528 nan 8.150 nan 0.000 0.447 205 G N -0.189 108.518 108.800 -0.155 0.000 2.421 205 G HA2 -0.160 3.838 3.960 0.063 0.000 0.216 205 G HA3 -0.160 3.838 3.960 0.063 0.000 0.216 205 G C 1.540 176.338 174.900 -0.171 0.000 1.171 205 G CA 1.125 46.126 45.100 -0.164 0.000 0.775 205 G HN 0.489 nan 8.290 nan 0.000 0.543 206 I N 1.276 121.735 120.570 -0.184 0.000 2.179 206 I HA -0.072 4.136 4.170 0.063 0.000 0.242 206 I C 3.105 179.183 176.117 -0.064 0.000 1.088 206 I CA 1.122 62.297 61.300 -0.208 0.000 1.357 206 I CB -0.555 37.332 38.000 -0.188 0.000 1.051 206 I HN 0.234 nan 8.210 nan 0.000 0.409 207 G N 0.464 109.305 108.800 0.069 0.000 2.433 207 G HA2 -0.246 3.752 3.960 0.063 0.000 0.216 207 G HA3 -0.246 3.752 3.960 0.063 0.000 0.216 207 G C 1.878 176.742 174.900 -0.059 0.000 1.186 207 G CA 0.883 45.965 45.100 -0.029 0.000 0.779 207 G HN 0.491 nan 8.290 nan 0.000 0.543 208 A N 1.268 124.051 122.820 -0.062 0.000 1.908 208 A HA -0.088 4.270 4.320 0.063 0.000 0.218 208 A C 2.773 180.330 177.584 -0.045 0.000 1.181 208 A CA 2.885 54.885 52.037 -0.063 0.000 0.627 208 A CB -0.895 18.021 19.000 -0.139 0.000 0.818 208 A HN 0.844 nan 8.150 nan 0.000 0.445 209 S N 0.149 115.802 115.700 -0.079 0.000 2.382 209 S HA 0.013 4.521 4.470 0.063 0.000 0.228 209 S C 2.078 176.649 174.600 -0.049 0.000 1.027 209 S CA 1.450 59.594 58.200 -0.092 0.000 0.991 209 S CB -0.672 62.498 63.200 -0.051 0.000 0.823 209 S HN 0.950 nan 8.310 nan 0.000 0.469 210 A N 1.477 124.286 122.820 -0.018 0.000 1.930 210 A HA -0.079 4.279 4.320 0.063 0.000 0.217 210 A C 2.104 179.609 177.584 -0.132 0.000 1.175 210 A CA 1.796 53.745 52.037 -0.146 0.000 0.627 210 A CB -1.330 17.634 19.000 -0.060 0.000 0.815 210 A HN 0.785 nan 8.150 nan 0.000 0.443 211 H N -0.142 118.858 119.070 -0.117 0.000 2.389 211 H HA 0.070 4.661 4.556 0.059 0.000 0.299 211 H C 1.504 176.837 175.328 0.008 0.000 1.081 211 H CA 1.610 57.633 56.048 -0.042 0.000 1.345 211 H CB -0.277 29.457 29.762 -0.046 0.000 1.393 211 H HN 0.357 nan 8.280 nan 0.000 0.520 212 L N -0.184 120.992 121.223 -0.078 0.000 2.551 212 L HA -0.067 4.311 4.340 0.063 0.000 0.228 212 L C 2.015 178.878 176.870 -0.012 0.000 1.153 212 L CA 0.102 54.914 54.840 -0.048 0.000 0.851 212 L CB -0.014 42.052 42.059 0.011 0.000 0.959 212 L HN 0.211 nan 8.230 nan 0.000 0.451 213 V N 0.223 120.019 119.914 -0.198 0.000 2.594 213 V HA -0.258 3.900 4.120 0.063 0.000 0.253 213 V C 1.510 177.352 176.094 -0.420 0.000 1.069 213 V CA 2.178 64.171 62.300 -0.512 0.000 1.082 213 V CB -0.596 30.843 31.823 -0.641 0.000 0.680 213 V HN 0.627 nan 8.190 nan 0.000 0.469 214 N N -2.212 116.257 118.700 -0.384 0.000 2.460 214 N HA 0.257 5.035 4.740 0.063 0.000 0.193 214 N C 0.035 175.062 175.510 -0.804 0.000 1.080 214 N CA 0.076 52.800 53.050 -0.543 0.000 0.869 214 N CB 0.430 38.629 38.487 -0.480 0.000 1.201 214 N HN 0.380 nan 8.380 nan 0.000 0.457 215 F N -0.097 119.581 119.950 -0.454 0.000 2.654 215 F HA 0.494 5.057 4.527 0.060 0.000 0.334 215 F C 0.862 176.438 175.800 -0.373 0.000 1.078 215 F CA -0.915 56.824 58.000 -0.435 0.000 0.986 215 F CB 1.789 40.491 39.000 -0.496 0.000 1.362 215 F HN -0.372 nan 8.300 nan 0.000 0.498 216 K N -0.212 120.071 120.400 -0.196 0.000 2.440 216 K HA 0.266 4.624 4.320 0.063 0.000 0.207 216 K C 0.253 176.884 176.600 0.053 0.000 1.112 216 K CA -0.088 56.106 56.287 -0.154 0.000 1.036 216 K CB 1.300 33.621 32.500 -0.299 0.000 0.935 216 K HN 0.675 nan 8.250 nan 0.000 0.564 217 G N 0.846 109.673 108.800 0.045 0.000 2.319 217 G HA2 0.350 4.348 3.960 0.063 0.000 0.308 217 G HA3 0.350 4.348 3.960 0.063 0.000 0.308 217 G C -0.938 173.666 174.900 -0.494 0.000 1.117 217 G CA 0.002 45.127 45.100 0.042 0.000 0.903 217 G HN -0.084 nan 8.290 nan 0.000 0.436 218 T N 0.938 115.210 114.554 -0.469 0.000 2.956 218 T HA 0.364 4.752 4.350 0.063 0.000 0.312 218 T C -0.550 174.163 174.700 0.022 0.000 1.151 218 T CA -0.517 61.395 62.100 -0.314 0.000 1.024 218 T CB 1.894 70.711 68.868 -0.085 0.000 1.140 218 T HN 0.272 nan 8.240 nan 0.000 0.473 219 D N 1.430 121.940 120.400 0.184 0.000 2.407 219 D HA 0.201 4.879 4.640 0.063 0.000 0.208 219 D C 0.379 176.777 176.300 0.162 0.000 1.083 219 D CA 0.351 54.493 54.000 0.236 0.000 0.844 219 D CB 0.586 41.543 40.800 0.262 0.000 0.967 219 D HN 0.481 nan 8.370 nan 0.000 0.506 220 T N 0.964 115.552 114.554 0.058 0.000 3.176 220 T HA 0.091 4.479 4.350 0.063 0.000 0.301 220 T C 1.697 176.275 174.700 -0.203 0.000 1.115 220 T CA -0.167 61.853 62.100 -0.134 0.000 1.027 220 T CB 0.917 69.639 68.868 -0.243 0.000 1.063 220 T HN -0.170 nan 8.240 nan 0.000 0.669 221 V N 2.255 122.137 119.914 -0.053 0.000 2.469 221 V HA -0.258 3.900 4.120 0.063 0.000 0.251 221 V C 2.784 178.821 176.094 -0.095 0.000 1.064 221 V CA 2.114 64.406 62.300 -0.013 0.000 1.066 221 V CB -1.045 30.846 31.823 0.113 0.000 0.667 221 V HN 0.912 nan 8.190 nan 0.000 0.461 222 A N 0.708 123.392 122.820 -0.226 0.000 1.997 222 A HA -0.196 4.162 4.320 0.063 0.000 0.221 222 A C 2.405 179.892 177.584 -0.161 0.000 1.172 222 A CA 2.061 53.984 52.037 -0.191 0.000 0.645 222 A CB -1.143 17.658 19.000 -0.331 0.000 0.813 222 A HN 0.567 nan 8.150 nan 0.000 0.454 223 G N -0.279 108.401 108.800 -0.199 0.000 2.432 223 G HA2 -0.124 3.874 3.960 0.063 0.000 0.219 223 G HA3 -0.124 3.874 3.960 0.063 0.000 0.219 223 G C 1.495 176.297 174.900 -0.163 0.000 1.135 223 G CA 0.959 45.957 45.100 -0.170 0.000 0.767 223 G HN 0.480 nan 8.290 nan 0.000 0.550 224 L N 0.561 121.697 121.223 -0.145 0.000 2.017 224 L HA -0.057 4.321 4.340 0.063 0.000 0.208 224 L C 3.361 180.168 176.870 -0.104 0.000 1.073 224 L CA 1.180 55.932 54.840 -0.146 0.000 0.745 224 L CB -0.536 41.450 42.059 -0.121 0.000 0.894 224 L HN 0.290 nan 8.230 nan 0.000 0.432 225 A N -0.031 122.753 122.820 -0.060 0.000 1.969 225 A HA -0.156 4.202 4.320 0.063 0.000 0.218 225 A C 2.312 179.908 177.584 0.019 0.000 1.169 225 A CA 1.210 53.233 52.037 -0.024 0.000 0.635 225 A CB -0.590 18.408 19.000 -0.004 0.000 0.810 225 A HN 0.387 nan 8.150 nan 0.000 0.445 226 L N -0.431 120.821 121.223 0.048 0.000 2.017 226 L HA -0.152 4.226 4.340 0.063 0.000 0.208 226 L C 2.357 179.366 176.870 0.232 0.000 1.073 226 L CA 1.650 56.607 54.840 0.196 0.000 0.745 226 L CB -0.248 41.847 42.059 0.059 0.000 0.894 226 L HN 0.420 nan 8.230 nan 0.000 0.432 227 I N -0.113 120.475 120.570 0.029 0.000 2.179 227 I HA -0.349 3.859 4.170 0.063 0.000 0.242 227 I C 2.625 178.767 176.117 0.041 0.000 1.088 227 I CA 1.612 62.892 61.300 -0.035 0.000 1.357 227 I CB -0.360 37.330 38.000 -0.516 0.000 1.051 227 I HN 0.284 nan 8.210 nan 0.000 0.409 228 K N 1.310 121.693 120.400 -0.029 0.000 2.032 228 K HA -0.276 4.082 4.320 0.063 0.000 0.209 228 K C 2.250 178.820 176.600 -0.050 0.000 1.048 228 K CA 1.811 58.079 56.287 -0.031 0.000 0.927 228 K CB -0.068 32.402 32.500 -0.051 0.000 0.712 228 K HN 0.119 nan 8.250 nan 0.000 0.441 229 K N -0.996 119.345 120.400 -0.098 0.000 2.103 229 K HA -0.126 4.232 4.320 0.063 0.000 0.204 229 K C 1.333 177.658 176.600 -0.458 0.000 1.052 229 K CA 1.382 57.474 56.287 -0.325 0.000 0.945 229 K CB 0.093 32.300 32.500 -0.488 0.000 0.722 229 K HN 0.211 nan 8.250 nan 0.000 0.443 230 Y N -2.321 117.959 120.300 -0.034 0.000 2.444 230 Y HA 0.124 4.712 4.550 0.063 0.000 0.252 230 Y C 0.883 176.564 175.900 -0.365 0.000 1.091 230 Y CA -0.013 57.969 58.100 -0.196 0.000 1.276 230 Y CB 0.588 38.934 38.460 -0.190 0.000 1.170 230 Y HN 0.015 nan 8.280 nan 0.000 0.517 231 Y N -0.896 119.522 120.300 0.196 0.000 3.011 231 Y HA 0.545 5.134 4.550 0.066 0.000 0.231 231 Y C 1.205 177.202 175.900 0.161 0.000 0.983 231 Y CA 0.099 58.334 58.100 0.225 0.000 1.429 231 Y CB 0.274 38.952 38.460 0.363 0.000 1.491 231 Y HN -0.158 nan 8.280 nan 0.000 0.444 232 G N 0.871 109.835 108.800 0.274 0.000 2.895 232 G HA2 0.166 4.164 3.960 0.063 0.000 0.686 232 G HA3 0.166 4.164 3.960 0.063 0.000 0.686 232 G C -0.552 174.461 174.900 0.190 0.000 1.108 232 G CA -0.427 44.769 45.100 0.159 0.000 0.761 232 G HN 0.507 nan 8.290 nan 0.000 0.611 233 T N -1.319 113.306 114.554 0.119 0.000 2.900 233 T HA 0.727 5.115 4.350 0.063 0.000 0.295 233 T C 1.356 176.107 174.700 0.085 0.000 1.044 233 T CA -0.026 62.149 62.100 0.125 0.000 0.995 233 T CB 2.054 70.989 68.868 0.111 0.000 1.072 233 T HN 1.100 nan 8.240 nan 0.000 0.473 234 K N 0.915 121.366 120.400 0.085 0.000 2.097 234 K HA -0.029 4.329 4.320 0.063 0.000 0.206 234 K C 0.079 176.717 176.600 0.065 0.000 1.049 234 K CA 0.726 57.053 56.287 0.067 0.000 0.933 234 K CB -0.306 32.232 32.500 0.064 0.000 0.717 234 K HN 0.523 nan 8.250 nan 0.000 0.442 235 D N 1.754 122.201 120.400 0.078 0.000 2.362 235 D HA 0.044 4.722 4.640 0.063 0.000 0.242 235 D C -1.649 174.687 176.300 0.060 0.000 1.132 235 D CA -1.678 52.375 54.000 0.088 0.000 0.907 235 D CB 1.055 41.934 40.800 0.132 0.000 1.195 235 D HN -0.084 nan 8.370 nan 0.000 0.429 236 P HA -0.135 nan 4.420 nan 0.000 0.216 236 P C 0.227 177.515 177.300 -0.020 0.000 1.153 236 P CA 1.187 64.304 63.100 0.028 0.000 0.858 236 P CB 0.243 31.972 31.700 0.049 0.000 0.789 237 V N -6.215 113.661 119.914 -0.063 0.000 2.876 237 V HA 0.491 4.649 4.120 0.063 0.000 0.312 237 V C -2.151 173.794 176.094 -0.248 0.000 1.085 237 V CA -2.033 60.154 62.300 -0.190 0.000 0.945 237 V CB 1.821 33.469 31.823 -0.292 0.000 1.017 237 V HN -0.187 nan 8.190 nan 0.000 0.428 238 P HA 0.258 nan 4.420 nan 0.000 0.240 238 P C 0.583 177.750 177.300 -0.221 0.000 1.190 238 P CA 0.894 63.893 63.100 -0.168 0.000 0.781 238 P CB 0.555 32.106 31.700 -0.249 0.000 0.931 239 G N -1.071 107.488 108.800 -0.402 0.000 2.612 239 G HA2 0.596 4.594 3.960 0.063 0.000 0.298 239 G HA3 0.596 4.594 3.960 0.063 0.000 0.298 239 G C -2.019 172.593 174.900 -0.481 0.000 1.336 239 G CA -0.377 44.540 45.100 -0.305 0.000 0.953 239 G HN -0.119 nan 8.290 nan 0.000 0.482 240 Y N -0.311 120.068 120.300 0.131 0.000 2.576 240 Y HA 0.809 5.396 4.550 0.061 0.000 0.346 240 Y C 0.501 176.526 175.900 0.209 0.000 1.018 240 Y CA -0.762 57.438 58.100 0.166 0.000 1.050 240 Y CB 2.793 41.382 38.460 0.216 0.000 1.280 240 Y HN 0.704 nan 8.280 nan 0.000 0.474 241 S N 0.311 116.215 115.700 0.339 0.000 2.705 241 S HA 0.882 5.390 4.470 0.063 0.000 0.280 241 S C -1.677 173.007 174.600 0.140 0.000 1.174 241 S CA -0.521 57.858 58.200 0.298 0.000 0.823 241 S CB 1.212 64.562 63.200 0.251 0.000 1.162 241 S HN 0.834 nan 8.310 nan 0.000 0.487 242 V N -0.093 119.844 119.914 0.039 0.000 3.040 242 V HA 0.795 4.953 4.120 0.063 0.000 0.312 242 V C -2.954 173.032 176.094 -0.180 0.000 1.115 242 V CA -2.462 59.792 62.300 -0.077 0.000 0.998 242 V CB 0.521 32.280 31.823 -0.106 0.000 1.042 242 V HN 0.723 nan 8.190 nan 0.000 0.433 243 P HA 0.553 nan 4.420 nan 0.000 0.265 243 P C -0.517 176.527 177.300 -0.427 0.000 1.193 243 P CA 0.503 63.257 63.100 -0.578 0.000 0.765 243 P CB 0.665 31.555 31.700 -1.350 0.000 0.823 244 A N 1.918 124.538 122.820 -0.333 0.000 2.574 244 A HA 0.737 5.095 4.320 0.063 0.000 0.297 244 A C -0.970 176.520 177.584 -0.157 0.000 1.062 244 A CA -0.532 51.368 52.037 -0.229 0.000 0.686 244 A CB 1.455 20.325 19.000 -0.217 0.000 1.285 244 A HN 0.533 nan 8.150 nan 0.000 0.403 245 A N 0.734 123.487 122.820 -0.111 0.000 2.279 245 A HA 0.741 5.099 4.320 0.063 0.000 0.303 245 A C 0.134 177.651 177.584 -0.111 0.000 1.108 245 A CA 0.125 52.132 52.037 -0.050 0.000 0.830 245 A CB 0.328 19.336 19.000 0.013 0.000 1.106 245 A HN 1.065 nan 8.150 nan 0.000 0.493 246 E N -0.218 119.935 120.200 -0.078 0.000 2.370 246 E HA 0.410 4.798 4.350 0.063 0.000 0.259 246 E C -0.201 176.332 176.600 -0.112 0.000 0.947 246 E CA -0.819 55.499 56.400 -0.137 0.000 0.809 246 E CB 0.414 30.074 29.700 -0.067 0.000 1.300 246 E HN 0.638 nan 8.360 nan 0.000 0.419 247 H N 0.263 119.335 119.070 0.003 0.000 2.387 247 H HA -0.132 4.462 4.556 0.062 0.000 0.299 247 H C 2.239 177.588 175.328 0.034 0.000 1.090 247 H CA 2.133 58.181 56.048 0.000 0.000 1.332 247 H CB 0.004 29.744 29.762 -0.036 0.000 1.386 247 H HN 0.660 nan 8.280 nan 0.000 0.516 248 S N 0.776 116.561 115.700 0.143 0.000 2.382 248 S HA -0.151 4.357 4.470 0.063 0.000 0.228 248 S C 2.278 176.968 174.600 0.150 0.000 1.027 248 S CA 1.801 60.071 58.200 0.118 0.000 0.991 248 S CB -0.721 62.525 63.200 0.077 0.000 0.823 248 S HN 0.578 nan 8.310 nan 0.000 0.469 249 T N -0.748 113.903 114.554 0.163 0.000 3.085 249 T HA 0.247 4.635 4.350 0.063 0.000 0.263 249 T C 1.650 176.576 174.700 0.377 0.000 1.127 249 T CA 0.327 62.580 62.100 0.255 0.000 1.103 249 T CB -0.299 68.705 68.868 0.227 0.000 0.921 249 T HN 0.334 nan 8.240 nan 0.000 0.510 250 I N 2.737 123.473 120.570 0.276 0.000 2.512 250 I HA 0.016 4.224 4.170 0.063 0.000 0.247 250 I C 2.937 179.250 176.117 0.328 0.000 1.094 250 I CA 1.665 63.124 61.300 0.265 0.000 1.427 250 I CB -1.633 36.479 38.000 0.187 0.000 1.149 250 I HN 0.453 nan 8.210 nan 0.000 0.438 251 T N -0.113 114.591 114.554 0.249 0.000 2.995 251 T HA 0.041 4.429 4.350 0.063 0.000 0.269 251 T C 1.954 176.808 174.700 0.256 0.000 1.091 251 T CA 0.929 63.184 62.100 0.258 0.000 1.128 251 T CB -0.404 68.557 68.868 0.154 0.000 0.891 251 T HN 0.225 nan 8.240 nan 0.000 0.492 252 A N 0.508 123.464 122.820 0.226 0.000 2.070 252 A HA 0.040 4.398 4.320 0.063 0.000 0.220 252 A C 1.840 179.450 177.584 0.044 0.000 1.159 252 A CA 0.874 52.969 52.037 0.096 0.000 0.656 252 A CB -1.203 17.806 19.000 0.015 0.000 0.800 252 A HN 0.747 nan 8.150 nan 0.000 0.453 253 W N -0.649 120.678 121.300 0.045 0.000 2.678 253 W HA 0.364 5.062 4.660 0.064 0.000 0.256 253 W C 1.311 177.865 176.519 0.059 0.000 1.280 253 W CA 1.296 58.653 57.345 0.020 0.000 1.345 253 W CB -0.264 29.217 29.460 0.035 0.000 1.118 253 W HN 0.644 nan 8.180 nan 0.000 0.629 254 G N 0.443 109.418 108.800 0.291 0.000 2.675 254 G HA2 -0.237 3.761 3.960 0.063 0.000 0.686 254 G HA3 -0.237 3.761 3.960 0.063 0.000 0.686 254 G C 0.752 175.760 174.900 0.179 0.000 1.215 254 G CA -0.341 44.896 45.100 0.227 0.000 0.777 254 G HN 0.209 nan 8.290 nan 0.000 0.638 255 K N -0.167 120.241 120.400 0.013 0.000 2.113 255 K HA -0.133 4.225 4.320 0.063 0.000 0.208 255 K C 0.969 177.319 176.600 -0.416 0.000 1.047 255 K CA 1.934 57.998 56.287 -0.372 0.000 0.928 255 K CB 0.025 32.286 32.500 -0.399 0.000 0.716 255 K HN 0.400 nan 8.250 nan 0.000 0.446 256 D N 0.457 120.698 120.400 -0.265 0.000 2.340 256 D HA -0.002 4.676 4.640 0.063 0.000 0.220 256 D C 0.154 176.128 176.300 -0.543 0.000 1.039 256 D CA 0.634 54.390 54.000 -0.407 0.000 0.866 256 D CB 0.109 40.652 40.800 -0.429 0.000 0.913 256 D HN 0.488 nan 8.370 nan 0.000 0.523 257 H N -0.366 118.657 119.070 -0.080 0.000 2.492 257 H HA 0.164 4.757 4.556 0.063 0.000 0.264 257 H C 1.334 176.581 175.328 -0.135 0.000 1.150 257 H CA -0.200 55.821 56.048 -0.044 0.000 0.962 257 H CB 0.713 30.539 29.762 0.107 0.000 1.766 257 H HN 0.019 nan 8.280 nan 0.000 0.589 258 E N 1.648 121.742 120.200 -0.176 0.000 2.110 258 E HA -0.215 4.173 4.350 0.063 0.000 0.193 258 E C 2.068 178.206 176.600 -0.771 0.000 0.988 258 E CA 0.981 57.128 56.400 -0.421 0.000 0.804 258 E CB 0.266 29.720 29.700 -0.411 0.000 0.745 258 E HN 0.363 nan 8.360 nan 0.000 0.458 259 K N 0.312 120.376 120.400 -0.560 0.000 2.057 259 K HA -0.196 4.162 4.320 0.063 0.000 0.207 259 K C 1.517 177.929 176.600 -0.314 0.000 1.049 259 K CA 1.814 57.830 56.287 -0.452 0.000 0.931 259 K CB 0.002 32.346 32.500 -0.261 0.000 0.714 259 K HN 0.105 nan 8.250 nan 0.000 0.440 260 D N 0.373 120.612 120.400 -0.268 0.000 2.117 260 D HA -0.124 4.554 4.640 0.063 0.000 0.197 260 D C 1.777 177.596 176.300 -0.802 0.000 0.987 260 D CA 1.274 55.086 54.000 -0.314 0.000 0.829 260 D CB -0.214 40.546 40.800 -0.068 0.000 0.961 260 D HN 0.341 nan 8.370 nan 0.000 0.460 261 A N 0.810 123.007 122.820 -1.037 0.000 1.865 261 A HA -0.193 4.165 4.320 0.063 0.000 0.217 261 A C 2.050 179.425 177.584 -0.349 0.000 1.191 261 A CA 1.055 52.323 52.037 -1.282 0.000 0.623 261 A CB -0.934 17.575 19.000 -0.818 0.000 0.826 261 A HN 0.084 nan 8.150 nan 0.000 0.444 262 F N -0.018 119.702 119.950 -0.385 0.000 2.065 262 F HA -0.170 4.396 4.527 0.065 0.000 0.298 262 F C 2.397 178.141 175.800 -0.094 0.000 1.112 262 F CA 1.382 59.244 58.000 -0.230 0.000 1.212 262 F CB -1.251 37.380 39.000 -0.615 0.000 0.975 262 F HN 0.495 nan 8.300 nan 0.000 0.476 263 E N -0.899 119.329 120.200 0.046 0.000 2.058 263 E HA -0.279 4.109 4.350 0.063 0.000 0.194 263 E C 2.451 179.076 176.600 0.042 0.000 0.997 263 E CA 1.494 57.919 56.400 0.041 0.000 0.801 263 E CB -0.450 29.253 29.700 0.006 0.000 0.746 263 E HN 0.469 nan 8.360 nan 0.000 0.450 264 H N 0.329 119.328 119.070 -0.119 0.000 2.319 264 H HA -0.133 4.461 4.556 0.063 0.000 0.299 264 H C 2.191 177.539 175.328 0.033 0.000 1.092 264 H CA 1.936 57.957 56.048 -0.045 0.000 1.302 264 H CB -0.050 29.661 29.762 -0.086 0.000 1.373 264 H HN 0.257 nan 8.280 nan 0.000 0.497 265 I N 0.904 121.517 120.570 0.072 0.000 2.202 265 I HA -0.227 3.982 4.170 0.063 0.000 0.242 265 I C 2.865 179.064 176.117 0.138 0.000 1.091 265 I CA 1.180 62.563 61.300 0.140 0.000 1.368 265 I CB -0.182 37.966 38.000 0.248 0.000 1.058 265 I HN 0.173 nan 8.210 nan 0.000 0.410 266 V N -2.562 117.426 119.914 0.124 0.000 2.626 266 V HA -0.155 4.003 4.120 0.063 0.000 0.252 266 V C 2.139 178.249 176.094 0.027 0.000 1.067 266 V CA 2.032 64.391 62.300 0.097 0.000 1.081 266 V CB -1.287 30.602 31.823 0.111 0.000 0.686 266 V HN 0.353 nan 8.190 nan 0.000 0.468 267 T N -0.447 114.088 114.554 -0.031 0.000 2.896 267 T HA -0.077 4.311 4.350 0.063 0.000 0.263 267 T C 2.006 176.601 174.700 -0.176 0.000 1.050 267 T CA 1.365 63.417 62.100 -0.080 0.000 1.140 267 T CB -0.269 68.559 68.868 -0.066 0.000 0.877 267 T HN 0.426 nan 8.240 nan 0.000 0.457 268 Q N 0.312 119.917 119.800 -0.324 0.000 2.135 268 Q HA 0.008 4.386 4.340 0.063 0.000 0.204 268 Q C 0.192 175.774 176.000 -0.696 0.000 0.981 268 Q CA 1.119 56.572 55.803 -0.583 0.000 0.856 268 Q CB -0.198 28.044 28.738 -0.828 0.000 0.902 268 Q HN 0.549 nan 8.270 nan 0.000 0.425 269 F N 0.166 120.078 119.950 -0.064 0.000 2.532 269 F HA 0.188 4.754 4.527 0.066 0.000 0.313 269 F C 1.163 176.933 175.800 -0.050 0.000 1.301 269 F CA -0.411 57.560 58.000 -0.047 0.000 1.154 269 F CB 0.338 39.312 39.000 -0.043 0.000 1.335 269 F HN -0.097 nan 8.300 nan 0.000 0.542 270 S N -2.066 113.661 115.700 0.044 0.000 2.470 270 S HA -0.046 4.462 4.470 0.063 0.000 0.225 270 S C 1.442 176.053 174.600 0.019 0.000 1.006 270 S CA 0.786 58.995 58.200 0.016 0.000 0.934 270 S CB -0.037 63.154 63.200 -0.015 0.000 0.778 270 S HN 0.252 nan 8.310 nan 0.000 0.517 271 S N 0.718 116.439 115.700 0.035 0.000 2.559 271 S HA 0.416 4.924 4.470 0.063 0.000 0.226 271 S C 0.309 174.924 174.600 0.026 0.000 1.000 271 S CA -0.052 58.161 58.200 0.023 0.000 0.948 271 S CB 0.739 63.950 63.200 0.018 0.000 0.870 271 S HN 0.608 nan 8.310 nan 0.000 0.497 272 V N -1.263 118.679 119.914 0.047 0.000 3.074 272 V HA 0.712 4.870 4.120 0.063 0.000 0.314 272 V C -3.332 172.751 176.094 -0.018 0.000 1.117 272 V CA -3.237 59.073 62.300 0.018 0.000 1.014 272 V CB 1.091 32.940 31.823 0.043 0.000 1.057 272 V HN -0.227 nan 8.190 nan 0.000 0.438 273 P HA 0.296 nan 4.420 nan 0.000 0.268 273 P C -0.879 176.346 177.300 -0.126 0.000 1.204 273 P CA 0.232 63.273 63.100 -0.099 0.000 0.768 273 P CB 0.947 32.575 31.700 -0.119 0.000 0.842 274 V N 2.937 122.766 119.914 -0.142 0.000 2.623 274 V HA 0.431 4.589 4.120 0.063 0.000 0.304 274 V C -0.594 175.378 176.094 -0.203 0.000 1.054 274 V CA -0.486 61.710 62.300 -0.173 0.000 0.882 274 V CB 1.925 33.697 31.823 -0.085 0.000 1.002 274 V HN 0.536 nan 8.190 nan 0.000 0.424 275 S N 5.544 121.119 115.700 -0.208 0.000 2.480 275 S HA 0.754 5.262 4.470 0.063 0.000 0.286 275 S C -0.900 173.590 174.600 -0.183 0.000 1.180 275 S CA -0.422 57.655 58.200 -0.205 0.000 1.075 275 S CB 1.229 64.322 63.200 -0.178 0.000 0.996 275 S HN 0.779 nan 8.310 nan 0.000 0.487 276 V N 5.857 125.651 119.914 -0.201 0.000 2.419 276 V HA 0.355 4.513 4.120 0.063 0.000 0.287 276 V C 0.118 176.138 176.094 -0.124 0.000 1.017 276 V CA -0.928 61.285 62.300 -0.145 0.000 0.844 276 V CB 1.424 33.169 31.823 -0.130 0.000 1.011 276 V HN 0.772 nan 8.190 nan 0.000 0.429 277 V N 4.979 124.829 119.914 -0.106 0.000 2.557 277 V HA 0.113 4.271 4.120 0.063 0.000 0.301 277 V C 1.100 177.211 176.094 0.030 0.000 1.026 277 V CA 1.249 63.482 62.300 -0.111 0.000 1.137 277 V CB 1.566 33.199 31.823 -0.316 0.000 0.917 277 V HN 1.028 nan 8.190 nan 0.000 0.484 278 S N 3.475 119.229 115.700 0.089 0.000 2.701 278 S HA 0.142 4.650 4.470 0.063 0.000 0.242 278 S C 0.795 175.512 174.600 0.195 0.000 1.025 278 S CA 0.132 58.496 58.200 0.274 0.000 1.016 278 S CB 0.083 63.479 63.200 0.328 0.000 0.977 278 S HN 1.010 nan 8.310 nan 0.000 0.546 279 D N 0.606 121.070 120.400 0.106 0.000 2.368 279 D HA 0.197 4.875 4.640 0.063 0.000 0.218 279 D C 0.954 177.265 176.300 0.019 0.000 1.112 279 D CA 0.040 54.067 54.000 0.044 0.000 0.834 279 D CB -0.109 40.705 40.800 0.024 0.000 0.953 279 D HN 0.016 nan 8.370 nan 0.000 0.505 280 S N -0.144 115.545 115.700 -0.018 0.000 2.392 280 S HA -0.172 4.336 4.470 0.063 0.000 0.232 280 S C 0.699 174.946 174.600 -0.588 0.000 1.041 280 S CA 1.461 59.465 58.200 -0.328 0.000 1.026 280 S CB -0.186 62.663 63.200 -0.586 0.000 0.845 280 S HN 0.496 nan 8.310 nan 0.000 0.465 281 Y N -0.961 119.358 120.300 0.031 0.000 2.784 281 Y HA 0.425 5.014 4.550 0.065 0.000 0.267 281 Y C 0.192 176.086 175.900 -0.010 0.000 1.117 281 Y CA -0.592 57.507 58.100 -0.002 0.000 1.231 281 Y CB 0.636 39.082 38.460 -0.023 0.000 1.441 281 Y HN 0.029 nan 8.280 nan 0.000 0.469 282 D N 0.144 120.627 120.400 0.139 0.000 2.365 282 D HA 0.137 4.815 4.640 0.063 0.000 0.235 282 D C 0.317 176.617 176.300 -0.000 0.000 1.368 282 D CA -0.129 53.906 54.000 0.057 0.000 1.001 282 D CB 1.378 42.234 40.800 0.093 0.000 1.364 282 D HN 0.173 nan 8.370 nan 0.000 0.577 283 I N 4.013 124.485 120.570 -0.165 0.000 2.264 283 I HA -0.225 3.984 4.170 0.063 0.000 0.248 283 I C 1.000 177.029 176.117 -0.147 0.000 1.111 283 I CA 1.749 62.917 61.300 -0.221 0.000 1.382 283 I CB -0.144 37.596 38.000 -0.432 0.000 1.060 283 I HN 0.373 nan 8.210 nan 0.000 0.418 284 Y N 0.152 120.516 120.300 0.107 0.000 2.337 284 Y HA -0.078 4.506 4.550 0.057 0.000 0.293 284 Y C 2.510 178.473 175.900 0.104 0.000 1.123 284 Y CA 1.263 59.422 58.100 0.098 0.000 1.201 284 Y CB -1.471 37.033 38.460 0.073 0.000 1.011 284 Y HN 0.331 nan 8.280 nan 0.000 0.545 285 N N 0.740 119.561 118.700 0.202 0.000 2.106 285 N HA -0.191 4.587 4.740 0.063 0.000 0.188 285 N C 2.008 177.591 175.510 0.122 0.000 1.029 285 N CA 1.268 54.398 53.050 0.134 0.000 0.848 285 N CB -0.082 38.455 38.487 0.084 0.000 1.007 285 N HN 0.341 nan 8.380 nan 0.000 0.423 286 A N 0.832 123.731 122.820 0.131 0.000 1.908 286 A HA -0.149 4.209 4.320 0.063 0.000 0.218 286 A C 2.809 180.551 177.584 0.264 0.000 1.181 286 A CA 1.484 53.613 52.037 0.154 0.000 0.627 286 A CB -1.048 18.114 19.000 0.271 0.000 0.818 286 A HN 0.600 nan 8.150 nan 0.000 0.445 287 C N -1.371 118.139 119.300 0.349 0.000 2.453 287 C HA -0.026 4.472 4.460 0.063 0.000 0.277 287 C C 2.714 177.920 174.990 0.361 0.000 1.262 287 C CA 1.218 60.496 59.018 0.433 0.000 1.718 287 C CB -1.007 26.923 27.740 0.318 0.000 2.031 287 C HN 0.791 nan 8.230 nan 0.000 0.480 288 E N 0.482 120.836 120.200 0.256 0.000 2.051 288 E HA -0.112 4.276 4.350 0.063 0.000 0.189 288 E C 2.135 178.824 176.600 0.149 0.000 0.979 288 E CA 0.900 57.415 56.400 0.191 0.000 0.803 288 E CB 0.091 29.882 29.700 0.152 0.000 0.761 288 E HN 0.546 nan 8.360 nan 0.000 0.451 289 K N -0.175 120.299 120.400 0.123 0.000 2.190 289 K HA 0.109 4.467 4.320 0.063 0.000 0.202 289 K C 2.241 178.878 176.600 0.062 0.000 1.045 289 K CA 0.536 56.867 56.287 0.073 0.000 0.976 289 K CB 0.208 32.731 32.500 0.039 0.000 0.849 289 K HN 0.161 nan 8.250 nan 0.000 0.468 290 I N -0.462 120.130 120.570 0.037 0.000 2.206 290 I HA -0.171 4.037 4.170 0.063 0.000 0.239 290 I C 2.159 178.305 176.117 0.049 0.000 1.078 290 I CA 1.356 62.624 61.300 -0.053 0.000 1.367 290 I CB -0.392 37.471 38.000 -0.229 0.000 1.078 290 I HN 0.214 nan 8.210 nan 0.000 0.413 291 W N 1.003 122.445 121.300 0.237 0.000 2.409 291 W HA -0.019 4.681 4.660 0.066 0.000 0.299 291 W C 2.529 179.217 176.519 0.281 0.000 1.203 291 W CA 0.731 58.217 57.345 0.236 0.000 1.298 291 W CB -0.548 29.033 29.460 0.202 0.000 1.127 291 W HN 0.105 nan 8.180 nan 0.000 0.528 292 G N -0.491 108.572 108.800 0.440 0.000 2.650 292 G HA2 -0.029 3.969 3.960 0.063 0.000 0.214 292 G HA3 -0.029 3.969 3.960 0.063 0.000 0.214 292 G C 1.055 175.966 174.900 0.017 0.000 1.136 292 G CA 0.789 45.991 45.100 0.171 0.000 0.789 292 G HN 0.279 nan 8.290 nan 0.000 0.536 293 E N -0.504 119.752 120.200 0.094 0.000 3.596 293 E HA 0.025 4.413 4.350 0.063 0.000 0.188 293 E C 1.363 178.026 176.600 0.105 0.000 1.232 293 E CA -0.133 56.303 56.400 0.060 0.000 1.460 293 E CB 0.187 29.911 29.700 0.040 0.000 1.513 293 E HN -0.016 nan 8.360 nan 0.000 0.530 294 D N 1.167 121.625 120.400 0.096 0.000 2.123 294 D HA -0.108 4.570 4.640 0.063 0.000 0.196 294 D C 1.556 177.971 176.300 0.191 0.000 0.992 294 D CA 1.256 55.319 54.000 0.106 0.000 0.833 294 D CB 0.221 41.043 40.800 0.035 0.000 0.954 294 D HN 0.128 nan 8.370 nan 0.000 0.455 295 L N -0.203 121.116 121.223 0.158 0.000 2.959 295 L HA 0.286 4.664 4.340 0.063 0.000 0.259 295 L C 1.953 178.864 176.870 0.068 0.000 1.185 295 L CA -0.271 54.608 54.840 0.065 0.000 0.998 295 L CB 0.451 42.574 42.059 0.106 0.000 1.337 295 L HN -0.151 nan 8.230 nan 0.000 0.555 296 R N 0.951 121.572 120.500 0.201 0.000 2.117 296 R HA -0.219 4.159 4.340 0.063 0.000 0.243 296 R C 2.364 178.749 176.300 0.141 0.000 1.143 296 R CA 2.108 58.341 56.100 0.221 0.000 0.968 296 R CB -0.208 30.145 30.300 0.088 0.000 0.863 296 R HN 0.588 nan 8.270 nan 0.000 0.444 297 H N -0.543 118.578 119.070 0.086 0.000 2.491 297 H HA -0.075 4.519 4.556 0.064 0.000 0.290 297 H C 1.637 176.982 175.328 0.028 0.000 1.050 297 H CA 0.950 57.021 56.048 0.039 0.000 1.309 297 H CB -0.291 29.488 29.762 0.028 0.000 1.392 297 H HN 0.300 nan 8.280 nan 0.000 0.554 298 L N 0.348 121.341 121.223 -0.382 0.000 2.592 298 L HA 0.047 4.425 4.340 0.063 0.000 0.227 298 L C 1.619 178.426 176.870 -0.104 0.000 1.127 298 L CA -0.160 54.552 54.840 -0.213 0.000 0.884 298 L CB 0.129 42.050 42.059 -0.230 0.000 1.065 298 L HN 0.150 nan 8.230 nan 0.000 0.457 299 I N -0.666 119.859 120.570 -0.076 0.000 2.947 299 I HA -0.048 4.160 4.170 0.063 0.000 0.263 299 I C 2.514 178.371 176.117 -0.433 0.000 1.130 299 I CA 1.019 62.251 61.300 -0.114 0.000 1.448 299 I CB -0.885 37.147 38.000 0.053 0.000 1.222 299 I HN 0.081 nan 8.210 nan 0.000 0.453 300 V N 0.036 119.678 119.914 -0.454 0.000 2.867 300 V HA -0.097 4.061 4.120 0.063 0.000 0.260 300 V C 2.158 177.886 176.094 -0.610 0.000 1.099 300 V CA 1.788 63.546 62.300 -0.903 0.000 1.122 300 V CB -1.405 30.252 31.823 -0.277 0.000 0.708 300 V HN 0.474 nan 8.190 nan 0.000 0.490 301 S N -0.731 114.779 115.700 -0.316 0.000 2.558 301 S HA 0.227 4.735 4.470 0.063 0.000 0.217 301 S C 1.000 175.524 174.600 -0.127 0.000 0.975 301 S CA -0.413 57.693 58.200 -0.158 0.000 0.912 301 S CB -0.307 62.850 63.200 -0.071 0.000 0.776 301 S HN 0.677 nan 8.310 nan 0.000 0.526 302 R N 1.981 122.377 120.500 -0.173 0.000 2.539 302 R HA 0.397 4.775 4.340 0.063 0.000 0.275 302 R C 0.454 176.758 176.300 0.007 0.000 1.077 302 R CA -0.099 55.962 56.100 -0.066 0.000 1.097 302 R CB 0.688 30.955 30.300 -0.054 0.000 1.018 302 R HN 0.304 nan 8.270 nan 0.000 0.483 303 S N 0.078 115.785 115.700 0.012 0.000 2.584 303 S HA -0.043 4.465 4.470 0.063 0.000 0.270 303 S C 1.582 176.206 174.600 0.039 0.000 1.346 303 S CA -0.051 58.164 58.200 0.026 0.000 1.018 303 S CB 0.968 64.171 63.200 0.006 0.000 0.899 303 S HN 0.728 nan 8.310 nan 0.000 0.542 304 T N 1.027 115.601 114.554 0.033 0.000 2.995 304 T HA -0.019 4.369 4.350 0.063 0.000 0.269 304 T C 1.236 175.923 174.700 -0.022 0.000 1.091 304 T CA 0.651 62.757 62.100 0.010 0.000 1.128 304 T CB -0.209 68.661 68.868 0.004 0.000 0.891 304 T HN 0.641 nan 8.240 nan 0.000 0.492 305 Q N 1.056 120.842 119.800 -0.023 0.000 2.425 305 Q HA 0.418 4.796 4.340 0.063 0.000 0.204 305 Q C 0.981 176.951 176.000 -0.049 0.000 0.933 305 Q CA 0.567 56.343 55.803 -0.043 0.000 0.939 305 Q CB 0.277 28.993 28.738 -0.037 0.000 1.044 305 Q HN 0.731 nan 8.270 nan 0.000 0.513 306 A N 2.157 124.955 122.820 -0.036 0.000 3.355 306 A HA 0.387 4.745 4.320 0.063 0.000 0.290 306 A C -2.520 175.037 177.584 -0.046 0.000 0.973 306 A CA -1.161 50.853 52.037 -0.039 0.000 0.933 306 A CB 0.514 19.503 19.000 -0.019 0.000 1.138 306 A HN -0.080 nan 8.150 nan 0.000 0.490 307 P HA 0.298 nan 4.420 nan 0.000 0.276 307 P C -0.196 177.016 177.300 -0.146 0.000 1.244 307 P CA -0.334 62.714 63.100 -0.087 0.000 0.801 307 P CB 1.135 32.765 31.700 -0.117 0.000 1.006 308 L N 2.489 123.591 121.223 -0.201 0.000 2.319 308 L HA 0.301 4.679 4.340 0.063 0.000 0.280 308 L C -0.346 176.302 176.870 -0.369 0.000 1.099 308 L CA 0.009 54.648 54.840 -0.335 0.000 0.828 308 L CB -0.448 41.309 42.059 -0.503 0.000 1.150 308 L HN 0.169 nan 8.230 nan 0.000 0.442 309 I N 6.850 127.210 120.570 -0.350 0.000 2.371 309 I HA 0.312 4.520 4.170 0.063 0.000 0.282 309 I C -0.149 175.749 176.117 -0.366 0.000 1.031 309 I CA -0.327 60.781 61.300 -0.321 0.000 1.180 309 I CB 0.717 38.575 38.000 -0.237 0.000 1.336 309 I HN 0.504 nan 8.210 nan 0.000 0.467 310 I N 6.003 126.323 120.570 -0.418 0.000 2.556 310 I HA 0.183 4.391 4.170 0.063 0.000 0.284 310 I C 0.680 176.661 176.117 -0.226 0.000 1.114 310 I CA 0.078 61.150 61.300 -0.381 0.000 1.418 310 I CB 0.457 38.216 38.000 -0.400 0.000 1.394 310 I HN 0.571 nan 8.210 nan 0.000 0.552 311 R N 8.761 129.168 120.500 -0.154 0.000 2.352 311 R HA 0.394 4.772 4.340 0.063 0.000 0.304 311 R C -2.608 173.662 176.300 -0.050 0.000 1.104 311 R CA -1.694 54.346 56.100 -0.099 0.000 0.991 311 R CB 1.240 31.489 30.300 -0.084 0.000 1.140 311 R HN 0.285 nan 8.270 nan 0.000 0.540 312 P HA 0.114 nan 4.420 nan 0.000 0.272 312 P C -0.679 176.629 177.300 0.013 0.000 1.230 312 P CA 0.087 63.173 63.100 -0.024 0.000 0.788 312 P CB 1.066 32.742 31.700 -0.040 0.000 0.949 313 D N -1.034 119.391 120.400 0.042 0.000 2.640 313 D HA 0.126 4.804 4.640 0.063 0.000 0.282 313 D C -0.694 175.653 176.300 0.078 0.000 1.558 313 D CA -0.020 54.035 54.000 0.090 0.000 0.820 313 D CB 0.232 41.128 40.800 0.161 0.000 1.243 313 D HN 0.375 nan 8.370 nan 0.000 0.456 314 S N -1.834 113.890 115.700 0.040 0.000 2.611 314 S HA 0.785 5.293 4.470 0.063 0.000 0.268 314 S C 0.368 174.985 174.600 0.027 0.000 1.156 314 S CA -0.326 57.890 58.200 0.027 0.000 0.817 314 S CB 1.417 64.622 63.200 0.008 0.000 1.122 314 S HN 0.681 nan 8.310 nan 0.000 0.466 315 G N 1.343 110.165 108.800 0.037 0.000 2.760 315 G HA2 -0.118 3.880 3.960 0.063 0.000 0.246 315 G HA3 -0.118 3.880 3.960 0.063 0.000 0.246 315 G C -0.563 174.374 174.900 0.062 0.000 1.359 315 G CA -0.332 44.803 45.100 0.059 0.000 0.861 315 G HN 1.187 nan 8.290 nan 0.000 0.541 316 N N 1.155 119.898 118.700 0.071 0.000 2.440 316 N HA 0.172 4.950 4.740 0.063 0.000 0.265 316 N C -0.762 174.788 175.510 0.066 0.000 1.239 316 N CA -0.612 52.476 53.050 0.063 0.000 0.909 316 N CB 1.154 39.678 38.487 0.061 0.000 1.066 316 N HN 0.128 nan 8.380 nan 0.000 0.474 317 P HA -0.160 nan 4.420 nan 0.000 0.215 317 P C 1.593 178.930 177.300 0.062 0.000 1.153 317 P CA 0.710 63.847 63.100 0.061 0.000 0.853 317 P CB 0.250 31.988 31.700 0.063 0.000 0.788 318 L N -0.042 121.215 121.223 0.057 0.000 2.005 318 L HA -0.134 4.244 4.340 0.063 0.000 0.207 318 L C 1.559 178.460 176.870 0.052 0.000 1.072 318 L CA 2.138 57.009 54.840 0.053 0.000 0.744 318 L CB -1.439 40.647 42.059 0.045 0.000 0.895 318 L HN -0.171 nan 8.230 nan 0.000 0.433 319 D N -0.905 119.530 120.400 0.059 0.000 2.117 319 D HA -0.161 4.517 4.640 0.063 0.000 0.197 319 D C 2.064 178.418 176.300 0.089 0.000 0.987 319 D CA 1.870 55.908 54.000 0.063 0.000 0.829 319 D CB -0.418 40.420 40.800 0.064 0.000 0.961 319 D HN 0.402 nan 8.370 nan 0.000 0.460 320 T N 0.490 115.118 114.554 0.122 0.000 2.737 320 T HA -0.075 4.313 4.350 0.063 0.000 0.265 320 T C 2.299 177.066 174.700 0.112 0.000 1.038 320 T CA 0.648 62.862 62.100 0.189 0.000 1.144 320 T CB -0.417 68.531 68.868 0.133 0.000 0.866 320 T HN -0.037 nan 8.240 nan 0.000 0.434 321 V N 1.677 121.608 119.914 0.030 0.000 2.255 321 V HA -0.155 4.003 4.120 0.063 0.000 0.247 321 V C 2.532 178.565 176.094 -0.102 0.000 1.051 321 V CA 1.605 63.872 62.300 -0.055 0.000 1.018 321 V CB -0.691 31.093 31.823 -0.066 0.000 0.641 321 V HN 0.432 nan 8.190 nan 0.000 0.445 322 L N -0.473 120.720 121.223 -0.051 0.000 2.046 322 L HA -0.230 4.148 4.340 0.063 0.000 0.208 322 L C 2.582 179.422 176.870 -0.050 0.000 1.077 322 L CA 2.041 56.844 54.840 -0.060 0.000 0.747 322 L CB -0.603 41.476 42.059 0.034 0.000 0.896 322 L HN 0.315 nan 8.230 nan 0.000 0.432 323 K N -0.029 120.371 120.400 -0.001 0.000 2.057 323 K HA -0.142 4.216 4.320 0.063 0.000 0.206 323 K C 2.034 178.657 176.600 0.038 0.000 1.050 323 K CA 1.138 57.417 56.287 -0.013 0.000 0.935 323 K CB 0.026 32.453 32.500 -0.123 0.000 0.715 323 K HN 0.025 nan 8.250 nan 0.000 0.439 324 V N 1.652 121.621 119.914 0.091 0.000 2.332 324 V HA -0.264 3.894 4.120 0.063 0.000 0.248 324 V C 2.241 178.280 176.094 -0.091 0.000 1.055 324 V CA 1.647 63.986 62.300 0.065 0.000 1.038 324 V CB -0.320 31.519 31.823 0.027 0.000 0.651 324 V HN 0.327 nan 8.190 nan 0.000 0.450 325 L N -0.604 120.443 121.223 -0.293 0.000 2.056 325 L HA -0.131 4.247 4.340 0.063 0.000 0.207 325 L C 2.722 179.385 176.870 -0.345 0.000 1.078 325 L CA 1.312 55.752 54.840 -0.666 0.000 0.749 325 L CB -0.628 40.571 42.059 -1.434 0.000 0.901 325 L HN 0.297 nan 8.230 nan 0.000 0.433 326 E N 0.240 120.416 120.200 -0.039 0.000 2.110 326 E HA -0.185 4.203 4.350 0.063 0.000 0.193 326 E C 2.267 178.971 176.600 0.173 0.000 0.988 326 E CA 1.240 57.772 56.400 0.220 0.000 0.804 326 E CB -0.207 29.603 29.700 0.182 0.000 0.745 326 E HN 0.522 nan 8.360 nan 0.000 0.458 327 I N 0.771 121.410 120.570 0.114 0.000 2.142 327 I HA -0.271 3.937 4.170 0.063 0.000 0.240 327 I C 2.438 178.668 176.117 0.189 0.000 1.078 327 I CA 0.971 62.357 61.300 0.143 0.000 1.343 327 I CB -0.245 37.853 38.000 0.165 0.000 1.046 327 I HN 0.041 nan 8.210 nan 0.000 0.405 328 L N 0.214 121.543 121.223 0.177 0.000 2.141 328 L HA -0.092 4.286 4.340 0.063 0.000 0.209 328 L C 2.593 179.668 176.870 0.341 0.000 1.094 328 L CA 1.247 56.253 54.840 0.277 0.000 0.763 328 L CB -1.035 41.081 42.059 0.094 0.000 0.908 328 L HN 0.328 nan 8.230 nan 0.000 0.437 329 G N -0.042 108.946 108.800 0.313 0.000 2.470 329 G HA2 -0.214 3.784 3.960 0.063 0.000 0.220 329 G HA3 -0.214 3.784 3.960 0.063 0.000 0.220 329 G C 1.652 176.717 174.900 0.275 0.000 1.121 329 G CA 0.437 45.791 45.100 0.423 0.000 0.766 329 G HN 0.320 nan 8.290 nan 0.000 0.553 330 K N -0.540 119.990 120.400 0.217 0.000 2.367 330 K HA 0.187 4.545 4.320 0.063 0.000 0.194 330 K C 1.759 178.409 176.600 0.082 0.000 1.027 330 K CA 0.007 56.374 56.287 0.134 0.000 1.075 330 K CB 0.382 32.948 32.500 0.111 0.000 0.845 330 K HN -0.029 nan 8.250 nan 0.000 0.529 331 K N -0.285 120.169 120.400 0.090 0.000 2.370 331 K HA 0.205 4.563 4.320 0.063 0.000 0.194 331 K C -0.209 176.164 176.600 -0.379 0.000 1.070 331 K CA 0.444 56.652 56.287 -0.131 0.000 0.998 331 K CB 0.618 33.029 32.500 -0.147 0.000 0.911 331 K HN -0.058 nan 8.250 nan 0.000 0.533 332 F N 1.553 121.577 119.950 0.123 0.000 2.577 332 F HA 0.318 4.884 4.527 0.065 0.000 0.318 332 F C -2.073 173.791 175.800 0.106 0.000 1.065 332 F CA -2.646 55.434 58.000 0.134 0.000 0.929 332 F CB 1.497 40.577 39.000 0.134 0.000 1.237 332 F HN -0.211 nan 8.300 nan 0.000 0.468 333 P HA 0.072 nan 4.420 nan 0.000 0.267 333 P C -0.550 176.826 177.300 0.127 0.000 1.328 333 P CA 0.264 63.465 63.100 0.168 0.000 0.990 333 P CB 0.302 32.099 31.700 0.161 0.000 1.168 334 V N 4.626 124.613 119.914 0.121 0.000 2.583 334 V HA 0.224 4.382 4.120 0.063 0.000 0.287 334 V C 1.336 177.453 176.094 0.039 0.000 1.051 334 V CA 0.148 62.504 62.300 0.095 0.000 1.010 334 V CB 1.120 33.015 31.823 0.119 0.000 0.988 334 V HN 0.600 nan 8.190 nan 0.000 0.478 335 T N 1.475 116.044 114.554 0.024 0.000 2.948 335 T HA 0.613 5.002 4.350 0.063 0.000 0.285 335 T C -0.534 174.158 174.700 -0.014 0.000 1.019 335 T CA -0.793 61.310 62.100 0.005 0.000 1.013 335 T CB 2.040 70.913 68.868 0.009 0.000 1.117 335 T HN 0.700 nan 8.240 nan 0.000 0.533 336 E N 1.499 121.687 120.200 -0.020 0.000 2.185 336 E HA 0.308 4.696 4.350 0.063 0.000 0.261 336 E C -0.350 176.250 176.600 -0.001 0.000 0.879 336 E CA -0.874 55.508 56.400 -0.031 0.000 0.756 336 E CB 0.874 30.537 29.700 -0.061 0.000 1.152 336 E HN 0.750 nan 8.360 nan 0.000 0.416 337 N N 1.926 120.644 118.700 0.029 0.000 2.294 337 N HA -0.073 4.705 4.740 0.063 0.000 0.248 337 N C 0.828 176.363 175.510 0.042 0.000 1.300 337 N CA 0.341 53.418 53.050 0.045 0.000 0.925 337 N CB 0.473 39.002 38.487 0.071 0.000 1.188 337 N HN 0.366 nan 8.380 nan 0.000 0.512 338 S N -1.649 114.077 115.700 0.042 0.000 2.474 338 S HA -0.055 4.453 4.470 0.063 0.000 0.235 338 S C 1.080 175.710 174.600 0.050 0.000 0.997 338 S CA 0.478 58.698 58.200 0.034 0.000 0.949 338 S CB -0.270 62.946 63.200 0.027 0.000 0.766 338 S HN 0.506 nan 8.310 nan 0.000 0.517 339 K N 0.828 121.289 120.400 0.101 0.000 2.426 339 K HA 0.239 4.597 4.320 0.063 0.000 0.193 339 K C 1.421 178.100 176.600 0.131 0.000 1.028 339 K CA 0.676 57.064 56.287 0.167 0.000 1.047 339 K CB -0.273 32.388 32.500 0.267 0.000 0.821 339 K HN 0.608 nan 8.250 nan 0.000 0.513 340 G N 0.944 109.765 108.800 0.035 0.000 2.141 340 G HA2 -0.257 3.741 3.960 0.063 0.000 0.231 340 G HA3 -0.257 3.741 3.960 0.063 0.000 0.231 340 G C -0.391 174.338 174.900 -0.285 0.000 0.984 340 G CA -0.236 44.779 45.100 -0.142 0.000 0.660 340 G HN 0.236 nan 8.290 nan 0.000 0.525 341 Y N 0.643 120.914 120.300 -0.048 0.000 2.387 341 Y HA 0.580 5.175 4.550 0.074 0.000 0.330 341 Y C 1.059 176.903 175.900 -0.093 0.000 1.133 341 Y CA -0.698 57.364 58.100 -0.065 0.000 1.152 341 Y CB 1.067 39.526 38.460 -0.000 0.000 1.215 341 Y HN -0.026 nan 8.280 nan 0.000 0.466 342 K N 2.512 122.877 120.400 -0.059 0.000 2.298 342 K HA 0.366 4.724 4.320 0.063 0.000 0.280 342 K C -1.352 175.303 176.600 0.092 0.000 1.032 342 K CA -0.432 55.750 56.287 -0.175 0.000 0.958 342 K CB 0.728 32.769 32.500 -0.765 0.000 0.978 342 K HN 0.342 nan 8.250 nan 0.000 0.472 343 L N 4.369 125.652 121.223 0.099 0.000 2.409 343 L HA 0.350 4.728 4.340 0.063 0.000 0.272 343 L C -1.046 175.897 176.870 0.122 0.000 0.980 343 L CA -0.488 54.434 54.840 0.138 0.000 0.826 343 L CB 1.380 43.480 42.059 0.068 0.000 1.268 343 L HN 0.541 nan 8.230 nan 0.000 0.407 344 L N 6.182 127.478 121.223 0.122 0.000 2.473 344 L HA 0.353 4.731 4.340 0.063 0.000 0.268 344 L C -1.693 175.093 176.870 -0.140 0.000 1.215 344 L CA -1.620 53.224 54.840 0.006 0.000 0.823 344 L CB 0.196 42.206 42.059 -0.081 0.000 1.099 344 L HN 0.527 nan 8.230 nan 0.000 0.483 345 P HA 0.005 nan 4.420 nan 0.000 0.268 345 P C -2.188 174.761 177.300 -0.585 0.000 1.208 345 P CA -1.171 61.633 63.100 -0.495 0.000 0.777 345 P CB -0.102 31.056 31.700 -0.904 0.000 0.875 346 P HA -0.144 nan 4.420 nan 0.000 0.225 346 P C 1.041 178.215 177.300 -0.209 0.000 1.148 346 P CA 1.523 64.487 63.100 -0.228 0.000 0.779 346 P CB -0.505 31.137 31.700 -0.097 0.000 0.780 347 Y N -1.488 118.752 120.300 -0.100 0.000 2.529 347 Y HA 0.491 5.081 4.550 0.067 0.000 0.290 347 Y C 0.525 176.288 175.900 -0.229 0.000 1.177 347 Y CA -1.053 56.965 58.100 -0.136 0.000 1.305 347 Y CB -0.738 37.662 38.460 -0.100 0.000 1.047 347 Y HN -0.205 nan 8.280 nan 0.000 0.522 348 L N 1.657 122.683 121.223 -0.328 0.000 2.439 348 L HA 0.642 5.020 4.340 0.063 0.000 0.270 348 L C -1.232 175.438 176.870 -0.334 0.000 0.972 348 L CA -1.007 53.609 54.840 -0.372 0.000 0.836 348 L CB 1.419 43.135 42.059 -0.572 0.000 1.255 348 L HN 0.004 nan 8.230 nan 0.000 0.404 349 R N 2.895 123.211 120.500 -0.308 0.000 2.869 349 R HA 0.840 5.218 4.340 0.063 0.000 0.263 349 R C -1.593 174.534 176.300 -0.288 0.000 1.066 349 R CA -0.875 55.067 56.100 -0.263 0.000 0.960 349 R CB 2.248 32.422 30.300 -0.210 0.000 1.221 349 R HN 0.385 nan 8.270 nan 0.000 0.474 350 V N 1.489 121.242 119.914 -0.268 0.000 2.789 350 V HA 0.555 4.713 4.120 0.063 0.000 0.311 350 V C -0.423 175.498 176.094 -0.287 0.000 1.073 350 V CA -0.863 61.270 62.300 -0.277 0.000 0.921 350 V CB 2.474 34.126 31.823 -0.285 0.000 1.009 350 V HN 0.632 nan 8.190 nan 0.000 0.426 351 I N 3.166 123.581 120.570 -0.258 0.000 2.447 351 I HA 0.552 4.760 4.170 0.063 0.000 0.287 351 I C -0.718 175.261 176.117 -0.229 0.000 1.023 351 I CA -0.610 60.529 61.300 -0.268 0.000 1.083 351 I CB 1.851 39.742 38.000 -0.182 0.000 1.245 351 I HN 0.764 nan 8.210 nan 0.000 0.434 352 Q N 5.621 125.231 119.800 -0.317 0.000 2.360 352 Q HA 0.501 4.880 4.340 0.063 0.000 0.254 352 Q C -0.005 175.947 176.000 -0.080 0.000 0.975 352 Q CA -0.165 55.538 55.803 -0.166 0.000 0.912 352 Q CB 1.566 30.208 28.738 -0.160 0.000 1.212 352 Q HN 0.759 nan 8.270 nan 0.000 0.452 353 G N 3.076 111.882 108.800 0.010 0.000 3.863 353 G HA2 0.150 4.148 3.960 0.063 0.000 0.290 353 G HA3 0.150 4.148 3.960 0.063 0.000 0.290 353 G C -0.761 174.232 174.900 0.155 0.000 1.018 353 G CA -0.251 44.880 45.100 0.052 0.000 0.824 353 G HN 0.610 nan 8.290 nan 0.000 0.507 354 D N -1.084 119.378 120.400 0.103 0.000 2.505 354 D HA 0.469 5.147 4.640 0.063 0.000 0.249 354 D C 1.078 177.422 176.300 0.073 0.000 1.082 354 D CA 0.316 54.376 54.000 0.100 0.000 0.839 354 D CB 1.256 42.111 40.800 0.091 0.000 1.317 354 D HN 0.255 nan 8.370 nan 0.000 0.497 355 G N 2.083 110.922 108.800 0.065 0.000 2.179 355 G HA2 -0.215 3.783 3.960 0.063 0.000 0.257 355 G HA3 -0.215 3.783 3.960 0.063 0.000 0.257 355 G C 0.092 175.013 174.900 0.035 0.000 1.010 355 G CA 0.357 45.486 45.100 0.048 0.000 0.736 355 G HN 0.566 nan 8.290 nan 0.000 0.513 356 V N 1.842 121.774 119.914 0.030 0.000 2.385 356 V HA 0.559 4.717 4.120 0.063 0.000 0.269 356 V C 0.318 176.392 176.094 -0.034 0.000 1.043 356 V CA 0.218 62.516 62.300 -0.004 0.000 0.906 356 V CB 1.149 32.978 31.823 0.010 0.000 0.995 356 V HN 0.614 nan 8.190 nan 0.000 0.467 357 D N 3.271 123.643 120.400 -0.047 0.000 2.714 357 D HA 0.287 4.965 4.640 0.063 0.000 0.278 357 D C 1.027 177.284 176.300 -0.072 0.000 1.102 357 D CA -0.893 53.083 54.000 -0.040 0.000 1.108 357 D CB 1.138 41.940 40.800 0.003 0.000 1.444 357 D HN 0.258 nan 8.370 nan 0.000 0.568 358 I N -0.060 120.491 120.570 -0.032 0.000 2.264 358 I HA -0.276 3.932 4.170 0.063 0.000 0.248 358 I C 1.237 177.311 176.117 -0.071 0.000 1.111 358 I CA 1.444 62.717 61.300 -0.045 0.000 1.382 358 I CB -0.212 37.806 38.000 0.030 0.000 1.060 358 I HN 0.338 nan 8.210 nan 0.000 0.418 359 N N -0.386 118.289 118.700 -0.042 0.000 2.109 359 N HA -0.180 4.598 4.740 0.063 0.000 0.188 359 N C 1.718 177.189 175.510 -0.065 0.000 1.034 359 N CA 1.953 54.977 53.050 -0.043 0.000 0.846 359 N CB -0.217 38.262 38.487 -0.012 0.000 1.010 359 N HN 0.461 nan 8.380 nan 0.000 0.425 360 T N -0.121 114.396 114.554 -0.062 0.000 2.904 360 T HA -0.051 4.337 4.350 0.063 0.000 0.267 360 T C 1.912 176.537 174.700 -0.126 0.000 1.059 360 T CA 0.431 62.494 62.100 -0.061 0.000 1.137 360 T CB -0.407 68.447 68.868 -0.023 0.000 0.879 360 T HN 0.080 nan 8.240 nan 0.000 0.467 361 L N 1.344 122.430 121.223 -0.228 0.000 2.012 361 L HA -0.111 4.267 4.340 0.063 0.000 0.210 361 L C 2.802 179.441 176.870 -0.385 0.000 1.073 361 L CA 2.265 56.824 54.840 -0.468 0.000 0.748 361 L CB -0.905 40.829 42.059 -0.543 0.000 0.891 361 L HN 0.294 nan 8.230 nan 0.000 0.431 362 Q N 0.126 119.768 119.800 -0.263 0.000 2.061 362 Q HA -0.305 4.073 4.340 0.063 0.000 0.204 362 Q C 2.203 178.068 176.000 -0.225 0.000 0.984 362 Q CA 2.434 58.092 55.803 -0.241 0.000 0.846 362 Q CB -0.483 28.177 28.738 -0.129 0.000 0.902 362 Q HN 0.685 nan 8.270 nan 0.000 0.421 363 E N -0.625 119.494 120.200 -0.135 0.000 2.077 363 E HA -0.180 4.208 4.350 0.063 0.000 0.193 363 E C 1.920 178.480 176.600 -0.065 0.000 0.989 363 E CA 1.413 57.768 56.400 -0.075 0.000 0.800 363 E CB -0.170 29.509 29.700 -0.035 0.000 0.746 363 E HN 0.553 nan 8.360 nan 0.000 0.452 364 I N 0.634 121.168 120.570 -0.060 0.000 2.193 364 I HA -0.225 3.983 4.170 0.063 0.000 0.240 364 I C 2.600 178.719 176.117 0.002 0.000 1.084 364 I CA 1.018 62.336 61.300 0.029 0.000 1.365 364 I CB -0.372 37.739 38.000 0.185 0.000 1.064 364 I HN 0.131 nan 8.210 nan 0.000 0.410 365 V N -0.643 119.196 119.914 -0.124 0.000 2.407 365 V HA -0.245 3.913 4.120 0.063 0.000 0.248 365 V C 2.374 178.275 176.094 -0.323 0.000 1.055 365 V CA 2.145 64.301 62.300 -0.240 0.000 1.049 365 V CB -0.906 30.634 31.823 -0.472 0.000 0.662 365 V HN 0.416 nan 8.190 nan 0.000 0.455 366 E N 2.186 122.149 120.200 -0.396 0.000 2.072 366 E HA -0.011 4.377 4.350 0.063 0.000 0.191 366 E C 2.167 178.813 176.600 0.077 0.000 0.985 366 E CA 1.896 58.255 56.400 -0.069 0.000 0.801 366 E CB -1.073 28.616 29.700 -0.019 0.000 0.750 366 E HN 0.572 nan 8.360 nan 0.000 0.452 367 G N 0.262 109.089 108.800 0.045 0.000 2.422 367 G HA2 -0.247 3.751 3.960 0.063 0.000 0.218 367 G HA3 -0.247 3.751 3.960 0.063 0.000 0.218 367 G C 1.653 176.644 174.900 0.152 0.000 1.146 367 G CA 1.014 46.170 45.100 0.092 0.000 0.769 367 G HN 0.254 nan 8.290 nan 0.000 0.547 368 M N 0.095 119.788 119.600 0.154 0.000 2.086 368 M HA -0.028 4.490 4.480 0.063 0.000 0.261 368 M C 2.546 179.043 176.300 0.329 0.000 1.067 368 M CA 1.602 57.054 55.300 0.253 0.000 1.116 368 M CB -0.248 32.468 32.600 0.194 0.000 1.348 368 M HN 0.192 nan 8.290 nan 0.000 0.407 369 K N 0.060 120.628 120.400 0.281 0.000 2.063 369 K HA -0.212 4.146 4.320 0.063 0.000 0.208 369 K C 1.967 178.781 176.600 0.358 0.000 1.048 369 K CA 1.355 57.856 56.287 0.357 0.000 0.928 369 K CB 0.026 32.740 32.500 0.357 0.000 0.713 369 K HN 0.305 nan 8.250 nan 0.000 0.442 370 Q N 0.372 120.320 119.800 0.247 0.000 2.224 370 Q HA -0.070 4.308 4.340 0.063 0.000 0.203 370 Q C 1.311 177.399 176.000 0.147 0.000 0.970 370 Q CA 1.019 56.927 55.803 0.175 0.000 0.865 370 Q CB 0.152 28.972 28.738 0.136 0.000 0.922 370 Q HN 0.191 nan 8.270 nan 0.000 0.445 371 K N -0.020 120.500 120.400 0.200 0.000 2.437 371 K HA 0.149 4.507 4.320 0.063 0.000 0.198 371 K C 0.247 176.875 176.600 0.047 0.000 1.024 371 K CA -0.220 56.176 56.287 0.181 0.000 1.148 371 K CB 0.381 33.085 32.500 0.341 0.000 0.860 371 K HN 0.129 nan 8.250 nan 0.000 0.515 372 M N -1.422 118.236 119.600 0.098 0.000 2.732 372 M HA -0.191 4.327 4.480 0.063 0.000 0.207 372 M C -1.159 175.157 176.300 0.027 0.000 0.513 372 M CA 0.792 56.079 55.300 -0.022 0.000 0.652 372 M CB -2.649 29.765 32.600 -0.310 0.000 2.410 372 M HN 0.181 nan 8.290 nan 0.000 0.660 373 W N 0.615 122.090 121.300 0.292 0.000 2.361 373 W HA 0.566 5.257 4.660 0.052 0.000 0.309 373 W C 0.980 177.610 176.519 0.185 0.000 1.122 373 W CA -0.354 57.112 57.345 0.201 0.000 1.208 373 W CB 1.140 30.663 29.460 0.105 0.000 1.246 373 W HN 0.232 nan 8.180 nan 0.000 0.490 374 S N 3.263 119.192 115.700 0.381 0.000 2.562 374 S HA 0.055 4.563 4.470 0.063 0.000 0.281 374 S C 1.177 175.859 174.600 0.137 0.000 1.333 374 S CA -0.462 57.832 58.200 0.158 0.000 1.052 374 S CB 0.432 63.717 63.200 0.142 0.000 0.884 374 S HN 0.406 nan 8.310 nan 0.000 0.506 375 I N 3.911 124.520 120.570 0.065 0.000 3.001 375 I HA -0.036 4.172 4.170 0.063 0.000 0.268 375 I C 2.050 178.202 176.117 0.059 0.000 1.267 375 I CA 0.909 62.260 61.300 0.085 0.000 1.472 375 I CB -1.670 36.400 38.000 0.117 0.000 1.089 375 I HN 0.758 nan 8.210 nan 0.000 0.468 376 E N 1.203 121.432 120.200 0.048 0.000 2.160 376 E HA -0.240 4.148 4.350 0.063 0.000 0.195 376 E C 1.641 178.239 176.600 -0.003 0.000 0.991 376 E CA 1.424 57.841 56.400 0.028 0.000 0.810 376 E CB -0.252 29.465 29.700 0.029 0.000 0.742 376 E HN 0.625 nan 8.360 nan 0.000 0.466 377 N N -0.088 118.615 118.700 0.005 0.000 2.381 377 N HA -0.015 4.763 4.740 0.063 0.000 0.182 377 N C 0.122 175.546 175.510 -0.143 0.000 1.025 377 N CA 0.343 53.360 53.050 -0.056 0.000 0.888 377 N CB 0.303 38.779 38.487 -0.018 0.000 0.965 377 N HN 0.059 nan 8.380 nan 0.000 0.438 378 I N -0.269 120.212 120.570 -0.148 0.000 2.569 378 I HA 0.573 4.781 4.170 0.063 0.000 0.296 378 I C -1.214 174.731 176.117 -0.287 0.000 1.028 378 I CA -0.890 60.231 61.300 -0.297 0.000 1.082 378 I CB 1.559 39.318 38.000 -0.401 0.000 1.264 378 I HN -0.122 nan 8.210 nan 0.000 0.429 379 A N 5.777 128.364 122.820 -0.390 0.000 2.386 379 A HA 0.861 5.219 4.320 0.063 0.000 0.308 379 A C -1.622 175.633 177.584 -0.547 0.000 1.128 379 A CA -0.420 51.450 52.037 -0.279 0.000 0.789 379 A CB 0.833 19.760 19.000 -0.121 0.000 1.325 379 A HN 0.523 nan 8.150 nan 0.000 0.437 380 F N -0.195 119.665 119.950 -0.151 0.000 2.532 380 F HA 0.625 5.031 4.527 -0.200 0.000 0.321 380 F C 0.837 176.409 175.800 -0.379 0.000 1.089 380 F CA -0.320 57.544 58.000 -0.226 0.000 0.926 380 F CB 2.655 41.535 39.000 -0.199 0.000 1.168 380 F HN 0.706 nan 8.300 nan 0.000 0.459 381 G N 0.569 109.127 108.800 -0.404 0.000 2.416 381 G HA2 0.505 4.503 3.960 0.063 0.000 0.324 381 G HA3 0.505 4.503 3.960 0.063 0.000 0.324 381 G C -1.473 173.046 174.900 -0.635 0.000 1.194 381 G CA -0.599 43.823 45.100 -1.130 0.000 0.922 381 G HN 0.575 nan 8.290 nan 0.000 0.467 382 S N 0.753 116.153 115.700 -0.500 0.000 2.571 382 S HA 0.735 5.243 4.470 0.063 0.000 0.284 382 S C 0.727 175.288 174.600 -0.064 0.000 1.128 382 S CA 0.112 58.193 58.200 -0.198 0.000 0.970 382 S CB 1.464 64.549 63.200 -0.191 0.000 1.039 382 S HN 0.912 nan 8.310 nan 0.000 0.485 383 G N 3.116 111.952 108.800 0.060 0.000 2.508 383 G HA2 0.350 4.348 3.960 0.063 0.000 0.217 383 G HA3 0.350 4.348 3.960 0.063 0.000 0.217 383 G C 1.303 176.246 174.900 0.072 0.000 2.004 383 G CA 0.460 45.632 45.100 0.119 0.000 0.750 383 G HN 0.925 nan 8.290 nan 0.000 0.730 384 G N 0.727 109.575 108.800 0.081 0.000 2.440 384 G HA2 0.032 4.030 3.960 0.063 0.000 0.218 384 G HA3 0.032 4.030 3.960 0.063 0.000 0.218 384 G C 1.768 176.706 174.900 0.063 0.000 1.154 384 G CA 1.668 46.812 45.100 0.074 0.000 0.767 384 G HN 0.767 nan 8.290 nan 0.000 0.552 385 G N 0.431 109.257 108.800 0.043 0.000 2.450 385 G HA2 -0.113 3.885 3.960 0.063 0.000 0.220 385 G HA3 -0.113 3.885 3.960 0.063 0.000 0.220 385 G C 1.716 176.628 174.900 0.020 0.000 1.130 385 G CA 1.053 46.172 45.100 0.031 0.000 0.760 385 G HN 0.425 nan 8.290 nan 0.000 0.557 386 L N -0.597 120.618 121.223 -0.013 0.000 2.162 386 L HA 0.374 4.752 4.340 0.063 0.000 0.205 386 L C 2.220 179.084 176.870 -0.011 0.000 1.086 386 L CA 1.229 56.036 54.840 -0.055 0.000 0.778 386 L CB 0.079 42.027 42.059 -0.185 0.000 0.928 386 L HN 0.168 nan 8.230 nan 0.000 0.446 387 L N -1.987 119.262 121.223 0.042 0.000 2.749 387 L HA 0.224 4.602 4.340 0.063 0.000 0.242 387 L C 1.684 178.699 176.870 0.242 0.000 1.103 387 L CA 0.087 55.001 54.840 0.123 0.000 0.906 387 L CB 0.350 42.471 42.059 0.103 0.000 1.228 387 L HN 0.253 nan 8.230 nan 0.000 0.517 388 Q N 0.604 120.508 119.800 0.172 0.000 2.471 388 Q HA 0.077 4.455 4.340 0.063 0.000 0.259 388 Q C 1.119 177.220 176.000 0.168 0.000 0.850 388 Q CA 0.618 56.521 55.803 0.166 0.000 0.981 388 Q CB 0.564 29.367 28.738 0.108 0.000 1.180 388 Q HN 0.031 nan 8.270 nan 0.000 0.571 389 K N 1.183 121.663 120.400 0.134 0.000 3.000 389 K HA 0.251 4.609 4.320 0.063 0.000 0.265 389 K C -1.142 175.541 176.600 0.138 0.000 1.260 389 K CA 0.057 56.413 56.287 0.115 0.000 1.209 389 K CB -0.719 31.830 32.500 0.083 0.000 1.484 389 K HN 0.146 nan 8.250 nan 0.000 0.283 390 L N 0.156 121.503 121.223 0.207 0.000 2.445 390 L HA 0.416 4.794 4.340 0.063 0.000 0.262 390 L C -0.236 176.817 176.870 0.305 0.000 0.974 390 L CA -0.957 54.035 54.840 0.253 0.000 0.822 390 L CB 2.334 44.590 42.059 0.328 0.000 1.339 390 L HN 0.184 nan 8.230 nan 0.000 0.409 391 T N -2.831 111.777 114.554 0.089 0.000 2.907 391 T HA 0.401 4.789 4.350 0.063 0.000 0.290 391 T C 0.581 174.869 174.700 -0.686 0.000 1.066 391 T CA -0.820 61.098 62.100 -0.303 0.000 1.012 391 T CB 2.208 70.946 68.868 -0.216 0.000 1.184 391 T HN 0.642 nan 8.240 nan 0.000 0.522 392 R N -0.102 119.633 120.500 -1.276 0.000 2.193 392 R HA -0.094 4.284 4.340 0.063 0.000 0.229 392 R C 0.985 177.059 176.300 -0.376 0.000 1.110 392 R CA 1.548 57.038 56.100 -1.017 0.000 0.988 392 R CB -0.368 29.278 30.300 -1.091 0.000 0.871 392 R HN 0.644 nan 8.270 nan 0.000 0.458 393 D N 0.487 120.709 120.400 -0.296 0.000 2.224 393 D HA -0.148 4.530 4.640 0.063 0.000 0.205 393 D C 1.745 177.990 176.300 -0.093 0.000 0.965 393 D CA 0.535 54.442 54.000 -0.154 0.000 0.852 393 D CB -0.041 40.687 40.800 -0.120 0.000 0.947 393 D HN 0.171 nan 8.370 nan 0.000 0.494 394 L N 0.322 121.489 121.223 -0.093 0.000 2.042 394 L HA -0.124 4.254 4.340 0.063 0.000 0.210 394 L C 1.686 178.514 176.870 -0.070 0.000 1.076 394 L CA 1.639 56.436 54.840 -0.071 0.000 0.749 394 L CB -0.162 41.831 42.059 -0.110 0.000 0.893 394 L HN 0.005 nan 8.230 nan 0.000 0.432 395 L N -0.555 120.637 121.223 -0.052 0.000 2.818 395 L HA 0.220 4.598 4.340 0.063 0.000 0.243 395 L C 0.199 177.063 176.870 -0.010 0.000 1.185 395 L CA -0.270 54.562 54.840 -0.012 0.000 0.988 395 L CB -0.267 41.807 42.059 0.025 0.000 1.292 395 L HN 0.239 nan 8.230 nan 0.000 0.519 396 N N 0.010 118.686 118.700 -0.039 0.000 2.714 396 N HA -0.177 4.601 4.740 0.063 0.000 0.252 396 N C -0.153 175.286 175.510 -0.118 0.000 1.014 396 N CA 0.552 53.561 53.050 -0.068 0.000 0.735 396 N CB -1.824 36.634 38.487 -0.048 0.000 0.924 396 N HN 0.300 nan 8.380 nan 0.000 0.540 397 C N 0.582 119.820 119.300 -0.104 0.000 2.648 397 C HA 0.420 4.918 4.460 0.063 0.000 0.415 397 C C 1.292 176.108 174.990 -0.290 0.000 1.366 397 C CA -0.227 58.672 59.018 -0.199 0.000 1.756 397 C CB 0.060 27.913 27.740 0.188 0.000 2.549 397 C HN 0.494 nan 8.230 nan 0.000 0.597 398 S N 2.435 117.776 115.700 -0.600 0.000 2.536 398 S HA 0.706 5.214 4.470 0.063 0.000 0.271 398 S C -1.347 172.975 174.600 -0.463 0.000 1.134 398 S CA -0.424 57.551 58.200 -0.375 0.000 0.897 398 S CB 0.910 63.940 63.200 -0.284 0.000 1.094 398 S HN 0.589 nan 8.310 nan 0.000 0.473 399 F N 4.701 124.475 119.950 -0.295 0.000 2.460 399 F HA 0.699 5.264 4.527 0.063 0.000 0.341 399 F C -0.510 175.170 175.800 -0.201 0.000 1.130 399 F CA -0.392 57.473 58.000 -0.224 0.000 0.962 399 F CB 0.880 39.924 39.000 0.073 0.000 1.171 399 F HN 0.387 nan 8.300 nan 0.000 0.436 400 K N 5.062 125.121 120.400 -0.569 0.000 2.469 400 K HA 0.291 4.649 4.320 0.063 0.000 0.254 400 K C -1.349 175.156 176.600 -0.158 0.000 0.939 400 K CA -0.670 55.473 56.287 -0.240 0.000 0.812 400 K CB 1.810 34.214 32.500 -0.160 0.000 1.301 400 K HN 0.694 nan 8.250 nan 0.000 0.433 401 C N 2.380 121.715 119.300 0.058 0.000 2.629 401 C HA 0.214 4.712 4.460 0.063 0.000 0.410 401 C C 1.637 176.779 174.990 0.254 0.000 1.339 401 C CA 0.314 59.427 59.018 0.159 0.000 1.810 401 C CB -1.182 26.677 27.740 0.198 0.000 2.549 401 C HN 0.863 nan 8.230 nan 0.000 0.589 402 S N 3.575 119.488 115.700 0.354 0.000 2.559 402 S HA 0.224 4.732 4.470 0.063 0.000 0.226 402 S C -0.287 174.538 174.600 0.374 0.000 1.030 402 S CA -0.126 58.291 58.200 0.361 0.000 0.956 402 S CB 0.049 63.434 63.200 0.307 0.000 0.900 402 S HN 0.944 nan 8.310 nan 0.000 0.510 403 Y N 1.531 121.969 120.300 0.230 0.000 2.442 403 Y HA 0.562 5.150 4.550 0.063 0.000 0.330 403 Y C -1.329 174.643 175.900 0.120 0.000 1.100 403 Y CA -1.167 56.995 58.100 0.104 0.000 1.034 403 Y CB 1.933 40.332 38.460 -0.102 0.000 1.285 403 Y HN 0.260 nan 8.280 nan 0.000 0.440 404 V N 2.841 122.490 119.914 -0.442 0.000 2.962 404 V HA 0.871 5.029 4.120 0.063 0.000 0.313 404 V C -1.623 174.109 176.094 -0.604 0.000 1.099 404 V CA -1.081 60.994 62.300 -0.375 0.000 0.971 404 V CB 1.612 33.352 31.823 -0.139 0.000 1.028 404 V HN 0.553 nan 8.190 nan 0.000 0.430 405 V N 2.167 121.869 119.914 -0.354 0.000 2.334 405 V HA 0.623 4.781 4.120 0.063 0.000 0.281 405 V C 0.081 176.081 176.094 -0.157 0.000 1.016 405 V CA 0.067 62.217 62.300 -0.251 0.000 0.832 405 V CB 1.345 33.086 31.823 -0.136 0.000 0.999 405 V HN 1.102 nan 8.190 nan 0.000 0.439 406 T N 3.691 118.164 114.554 -0.135 0.000 2.841 406 T HA 0.381 4.769 4.350 0.063 0.000 0.285 406 T C 0.333 174.987 174.700 -0.078 0.000 0.991 406 T CA -0.504 61.534 62.100 -0.104 0.000 0.966 406 T CB 0.765 69.579 68.868 -0.090 0.000 0.962 406 T HN 0.773 nan 8.240 nan 0.000 0.438 407 N N 1.717 120.375 118.700 -0.070 0.000 2.735 407 N HA -0.219 4.559 4.740 0.063 0.000 0.248 407 N C 1.060 176.546 175.510 -0.039 0.000 1.083 407 N CA 0.856 53.876 53.050 -0.050 0.000 0.703 407 N CB -0.994 37.468 38.487 -0.041 0.000 1.005 407 N HN 1.223 nan 8.380 nan 0.000 0.550 408 G N -2.133 106.642 108.800 -0.041 0.000 2.189 408 G HA2 -0.310 3.688 3.960 0.063 0.000 0.267 408 G HA3 -0.310 3.688 3.960 0.063 0.000 0.267 408 G C -0.213 174.673 174.900 -0.023 0.000 0.975 408 G CA 0.496 45.581 45.100 -0.026 0.000 0.644 408 G HN 0.292 nan 8.290 nan 0.000 0.537 409 L N 1.142 122.341 121.223 -0.041 0.000 2.313 409 L HA 0.704 5.082 4.340 0.063 0.000 0.283 409 L C 1.020 177.842 176.870 -0.080 0.000 1.013 409 L CA -0.340 54.478 54.840 -0.037 0.000 0.816 409 L CB 1.498 43.538 42.059 -0.031 0.000 1.236 409 L HN 0.246 nan 8.230 nan 0.000 0.419 410 G N 4.174 112.943 108.800 -0.052 0.000 2.364 410 G HA2 0.526 4.524 3.960 0.063 0.000 0.267 410 G HA3 0.526 4.524 3.960 0.063 0.000 0.267 410 G C -0.532 174.295 174.900 -0.123 0.000 1.233 410 G CA -0.091 44.916 45.100 -0.154 0.000 0.885 410 G HN 0.445 nan 8.290 nan 0.000 0.490 411 I N 1.856 122.257 120.570 -0.282 0.000 2.465 411 I HA 0.207 4.415 4.170 0.063 0.000 0.291 411 I C -0.638 175.464 176.117 -0.025 0.000 1.014 411 I CA -0.999 60.242 61.300 -0.098 0.000 1.093 411 I CB 2.043 39.995 38.000 -0.080 0.000 1.267 411 I HN 0.265 nan 8.210 nan 0.000 0.431 412 N N 6.068 124.843 118.700 0.125 0.000 2.411 412 N HA 0.371 5.149 4.740 0.063 0.000 0.259 412 N C -0.491 175.167 175.510 0.247 0.000 1.103 412 N CA -0.236 52.940 53.050 0.210 0.000 0.954 412 N CB 1.373 39.963 38.487 0.171 0.000 1.085 412 N HN 0.449 nan 8.380 nan 0.000 0.485 413 V N -0.100 119.970 119.914 0.260 0.000 2.919 413 V HA 0.973 5.131 4.120 0.063 0.000 0.316 413 V C -0.580 175.739 176.094 0.375 0.000 1.077 413 V CA -0.938 61.508 62.300 0.244 0.000 0.977 413 V CB 1.468 33.352 31.823 0.101 0.000 1.039 413 V HN 0.554 nan 8.190 nan 0.000 0.441 414 F N -0.032 119.964 119.950 0.076 0.000 2.769 414 F HA 0.729 5.294 4.527 0.063 0.000 0.313 414 F C -1.045 174.790 175.800 0.058 0.000 1.146 414 F CA -1.232 56.815 58.000 0.078 0.000 0.934 414 F CB 1.336 40.374 39.000 0.063 0.000 1.283 414 F HN 0.831 nan 8.300 nan 0.000 0.443 415 K N 0.561 121.030 120.400 0.116 0.000 2.118 415 K HA 0.707 5.065 4.320 0.063 0.000 0.254 415 K C -1.683 175.040 176.600 0.206 0.000 0.961 415 K CA -0.691 55.613 56.287 0.027 0.000 0.876 415 K CB 2.132 34.651 32.500 0.031 0.000 1.077 415 K HN 0.706 nan 8.250 nan 0.000 0.440 416 D N 2.269 122.749 120.400 0.133 0.000 2.823 416 D HA 0.281 4.959 4.640 0.063 0.000 0.255 416 D C -2.578 173.776 176.300 0.090 0.000 1.257 416 D CA -1.298 52.809 54.000 0.178 0.000 0.803 416 D CB 0.718 41.711 40.800 0.322 0.000 1.384 416 D HN 0.380 nan 8.370 nan 0.000 0.541 417 P HA 0.030 nan 4.420 nan 0.000 0.267 417 P C 1.176 178.497 177.300 0.035 0.000 1.205 417 P CA -0.445 62.675 63.100 0.034 0.000 0.765 417 P CB 1.510 33.225 31.700 0.026 0.000 0.828 418 V N 3.269 123.199 119.914 0.028 0.000 2.332 418 V HA -0.259 3.899 4.120 0.063 0.000 0.248 418 V C 1.784 177.890 176.094 0.021 0.000 1.055 418 V CA 2.706 65.021 62.300 0.026 0.000 1.038 418 V CB -0.948 30.887 31.823 0.020 0.000 0.651 418 V HN 0.696 nan 8.190 nan 0.000 0.450 419 A N -1.372 121.458 122.820 0.017 0.000 2.251 419 A HA 0.149 4.507 4.320 0.063 0.000 0.209 419 A C 0.768 178.361 177.584 0.014 0.000 1.187 419 A CA 0.788 52.833 52.037 0.013 0.000 0.823 419 A CB -0.085 18.921 19.000 0.009 0.000 0.846 419 A HN 0.573 nan 8.150 nan 0.000 0.486 420 D N -1.402 119.009 120.400 0.018 0.000 2.328 420 D HA 0.309 4.987 4.640 0.063 0.000 0.243 420 D C -2.450 173.865 176.300 0.025 0.000 1.324 420 D CA -1.429 52.581 54.000 0.018 0.000 0.966 420 D CB 1.379 42.186 40.800 0.013 0.000 1.324 420 D HN -0.102 nan 8.370 nan 0.000 0.549 421 P HA -0.030 nan 4.420 nan 0.000 0.220 421 P C 0.892 178.209 177.300 0.029 0.000 1.148 421 P CA 0.834 63.952 63.100 0.031 0.000 0.803 421 P CB 0.353 32.067 31.700 0.024 0.000 0.782 422 N N -0.637 118.076 118.700 0.022 0.000 2.364 422 N HA -0.099 4.679 4.740 0.063 0.000 0.183 422 N C 1.303 176.824 175.510 0.019 0.000 1.022 422 N CA 0.788 53.849 53.050 0.018 0.000 0.883 422 N CB -0.214 38.281 38.487 0.012 0.000 0.965 422 N HN 0.131 nan 8.380 nan 0.000 0.438 423 K N 0.453 120.867 120.400 0.024 0.000 2.444 423 K HA 0.063 4.421 4.320 0.063 0.000 0.193 423 K C 0.163 176.795 176.600 0.053 0.000 1.024 423 K CA -0.155 56.147 56.287 0.025 0.000 1.077 423 K CB 0.315 32.826 32.500 0.019 0.000 0.833 423 K HN 0.143 nan 8.250 nan 0.000 0.517 424 R N 2.163 122.704 120.500 0.069 0.000 2.522 424 R HA -0.012 4.366 4.340 0.063 0.000 0.284 424 R C -0.158 176.213 176.300 0.119 0.000 1.032 424 R CA 0.201 56.367 56.100 0.111 0.000 1.049 424 R CB 0.502 30.857 30.300 0.090 0.000 0.956 424 R HN 0.039 nan 8.270 nan 0.000 0.422 425 S N 3.142 118.953 115.700 0.186 0.000 2.722 425 S HA 0.394 4.902 4.470 0.063 0.000 0.292 425 S C -0.493 174.228 174.600 0.202 0.000 1.135 425 S CA -1.008 57.328 58.200 0.228 0.000 1.003 425 S CB 1.748 65.101 63.200 0.256 0.000 1.067 425 S HN 0.554 nan 8.310 nan 0.000 0.546 426 K N 0.602 121.114 120.400 0.188 0.000 2.168 426 K HA 0.322 4.680 4.320 0.063 0.000 0.258 426 K C -0.396 176.200 176.600 -0.007 0.000 1.010 426 K CA -0.353 55.903 56.287 -0.052 0.000 0.929 426 K CB 0.493 32.782 32.500 -0.351 0.000 0.998 426 K HN 0.502 nan 8.250 nan 0.000 0.479 427 K N 0.728 121.087 120.400 -0.068 0.000 2.182 427 K HA 0.401 4.759 4.320 0.063 0.000 0.262 427 K C 0.042 176.638 176.600 -0.006 0.000 0.957 427 K CA -0.379 55.912 56.287 0.007 0.000 0.842 427 K CB 1.746 34.195 32.500 -0.084 0.000 1.099 427 K HN 0.823 nan 8.250 nan 0.000 0.438 428 G N 1.966 110.821 108.800 0.091 0.000 2.698 428 G HA2 -0.292 3.706 3.960 0.063 0.000 0.233 428 G HA3 -0.292 3.706 3.960 0.063 0.000 0.233 428 G C -0.806 173.986 174.900 -0.180 0.000 1.352 428 G CA -0.715 44.410 45.100 0.040 0.000 0.879 428 G HN 0.626 nan 8.290 nan 0.000 0.567 429 R N -0.558 119.615 120.500 -0.545 0.000 2.491 429 R HA 0.472 4.850 4.340 0.063 0.000 0.283 429 R C 0.362 176.492 176.300 -0.283 0.000 1.072 429 R CA 0.007 55.661 56.100 -0.744 0.000 1.048 429 R CB 0.217 29.951 30.300 -0.943 0.000 0.983 429 R HN 0.430 nan 8.270 nan 0.000 0.450 430 L N 1.299 122.482 121.223 -0.067 0.000 2.333 430 L HA 0.574 4.952 4.340 0.063 0.000 0.269 430 L C -0.089 176.771 176.870 -0.017 0.000 1.010 430 L CA -0.754 54.055 54.840 -0.052 0.000 0.818 430 L CB 2.092 44.083 42.059 -0.113 0.000 1.306 430 L HN 0.739 nan 8.230 nan 0.000 0.430 431 S N 1.264 116.938 115.700 -0.043 0.000 2.550 431 S HA 0.615 5.123 4.470 0.063 0.000 0.270 431 S C -1.208 173.291 174.600 -0.168 0.000 1.145 431 S CA -0.852 57.291 58.200 -0.096 0.000 0.852 431 S CB 1.962 65.155 63.200 -0.013 0.000 1.119 431 S HN 0.535 nan 8.310 nan 0.000 0.465 432 L N 2.170 123.199 121.223 -0.323 0.000 2.307 432 L HA 0.645 5.023 4.340 0.063 0.000 0.284 432 L C -1.386 175.224 176.870 -0.434 0.000 1.023 432 L CA -0.433 54.270 54.840 -0.229 0.000 0.810 432 L CB 1.254 43.245 42.059 -0.112 0.000 1.231 432 L HN 0.956 nan 8.230 nan 0.000 0.423 433 H N 2.140 121.188 119.070 -0.037 0.000 2.821 433 H HA 0.470 5.064 4.556 0.063 0.000 0.373 433 H C -0.867 174.435 175.328 -0.044 0.000 1.165 433 H CA -0.858 55.154 56.048 -0.059 0.000 1.154 433 H CB 1.641 31.266 29.762 -0.230 0.000 1.765 433 H HN 0.373 nan 8.280 nan 0.000 0.549 434 R N 1.034 121.590 120.500 0.094 0.000 2.389 434 R HA 0.210 4.588 4.340 0.063 0.000 0.295 434 R C -0.158 176.195 176.300 0.089 0.000 1.075 434 R CA -0.259 55.800 56.100 -0.067 0.000 1.005 434 R CB 0.328 30.584 30.300 -0.073 0.000 0.987 434 R HN 0.838 nan 8.270 nan 0.000 0.452 435 T N 1.385 115.954 114.554 0.024 0.000 2.849 435 T HA 0.289 4.677 4.350 0.063 0.000 0.284 435 T C -1.565 173.182 174.700 0.078 0.000 1.004 435 T CA -1.555 60.644 62.100 0.164 0.000 1.021 435 T CB 1.097 70.028 68.868 0.106 0.000 1.013 435 T HN 0.373 nan 8.240 nan 0.000 0.527 436 P HA -0.003 nan 4.420 nan 0.000 0.216 436 P C 1.282 178.576 177.300 -0.011 0.000 1.150 436 P CA 1.258 64.357 63.100 -0.002 0.000 0.843 436 P CB -0.256 31.425 31.700 -0.031 0.000 0.787 437 A N -1.349 121.468 122.820 -0.006 0.000 2.238 437 A HA 0.426 4.784 4.320 0.063 0.000 0.208 437 A C 1.625 179.186 177.584 -0.040 0.000 1.177 437 A CA 0.797 52.824 52.037 -0.017 0.000 0.804 437 A CB -1.180 17.817 19.000 -0.006 0.000 0.823 437 A HN 0.259 nan 8.150 nan 0.000 0.482 438 G N -0.797 107.964 108.800 -0.065 0.000 2.141 438 G HA2 -0.261 3.737 3.960 0.063 0.000 0.231 438 G HA3 -0.261 3.737 3.960 0.063 0.000 0.231 438 G C 0.111 174.873 174.900 -0.229 0.000 0.984 438 G CA 0.330 45.352 45.100 -0.129 0.000 0.660 438 G HN 0.641 nan 8.290 nan 0.000 0.525 439 N N -1.011 117.583 118.700 -0.177 0.000 2.531 439 N HA 0.769 5.547 4.740 0.063 0.000 0.301 439 N C -0.368 174.924 175.510 -0.364 0.000 1.310 439 N CA -0.383 52.562 53.050 -0.176 0.000 0.949 439 N CB 0.399 38.891 38.487 0.007 0.000 1.111 439 N HN 0.098 nan 8.380 nan 0.000 0.565 440 F N -0.181 119.786 119.950 0.028 0.000 2.532 440 F HA 0.636 5.201 4.527 0.063 0.000 0.321 440 F C -0.296 175.496 175.800 -0.013 0.000 1.089 440 F CA -0.838 57.172 58.000 0.017 0.000 0.926 440 F CB 1.648 40.661 39.000 0.023 0.000 1.168 440 F HN -0.033 nan 8.300 nan 0.000 0.459 441 V N 1.693 121.676 119.914 0.114 0.000 2.808 441 V HA 0.550 4.708 4.120 0.063 0.000 0.308 441 V C -0.931 175.143 176.094 -0.034 0.000 1.099 441 V CA -0.276 62.017 62.300 -0.012 0.000 0.920 441 V CB 2.381 34.111 31.823 -0.155 0.000 1.014 441 V HN 0.780 nan 8.190 nan 0.000 0.425 442 T N 7.912 122.442 114.554 -0.040 0.000 2.733 442 T HA 0.524 4.912 4.350 0.063 0.000 0.294 442 T C -0.236 174.415 174.700 -0.081 0.000 0.956 442 T CA -0.116 61.950 62.100 -0.058 0.000 0.987 442 T CB 0.474 69.298 68.868 -0.073 0.000 0.920 442 T HN 0.496 nan 8.240 nan 0.000 0.470 443 L N 3.850 125.039 121.223 -0.057 0.000 2.305 443 L HA 0.452 4.830 4.340 0.063 0.000 0.281 443 L C 0.760 177.583 176.870 -0.079 0.000 1.085 443 L CA -0.535 54.263 54.840 -0.070 0.000 0.813 443 L CB 0.929 42.954 42.059 -0.058 0.000 1.157 443 L HN 0.595 nan 8.230 nan 0.000 0.436 444 E N 1.608 121.754 120.200 -0.091 0.000 2.259 444 E HA 0.274 4.662 4.350 0.063 0.000 0.257 444 E C -0.384 176.157 176.600 -0.098 0.000 0.998 444 E CA -0.775 55.558 56.400 -0.111 0.000 0.866 444 E CB 1.046 30.675 29.700 -0.119 0.000 1.220 444 E HN 0.492 nan 8.360 nan 0.000 0.415 445 E N -0.351 119.786 120.200 -0.106 0.000 2.586 445 E HA -0.290 4.098 4.350 0.063 0.000 0.259 445 E C 0.455 176.986 176.600 -0.115 0.000 1.107 445 E CA 0.274 56.620 56.400 -0.089 0.000 0.754 445 E CB -1.738 27.928 29.700 -0.055 0.000 1.335 445 E HN 0.983 nan 8.360 nan 0.000 0.411 446 G N 0.041 108.742 108.800 -0.164 0.000 2.155 446 G HA2 -0.426 3.572 3.960 0.063 0.000 0.257 446 G HA3 -0.426 3.572 3.960 0.063 0.000 0.257 446 G C 0.740 175.587 174.900 -0.088 0.000 0.983 446 G CA 0.881 45.883 45.100 -0.164 0.000 0.676 446 G HN 0.389 nan 8.290 nan 0.000 0.528 447 K N 0.073 120.434 120.400 -0.065 0.000 2.360 447 K HA 0.023 4.381 4.320 0.063 0.000 0.201 447 K C 2.637 179.222 176.600 -0.026 0.000 1.046 447 K CA 0.851 57.115 56.287 -0.038 0.000 0.945 447 K CB -0.304 32.177 32.500 -0.032 0.000 0.750 447 K HN 0.418 nan 8.250 nan 0.000 0.464 448 G N 1.308 110.105 108.800 -0.005 0.000 2.498 448 G HA2 -0.219 3.779 3.960 0.063 0.000 0.219 448 G HA3 -0.219 3.779 3.960 0.063 0.000 0.219 448 G C 0.841 175.765 174.900 0.040 0.000 1.119 448 G CA 0.654 45.785 45.100 0.052 0.000 0.766 448 G HN 0.223 nan 8.290 nan 0.000 0.552 449 D N 0.374 120.777 120.400 0.005 0.000 2.312 449 D HA -0.002 4.676 4.640 0.063 0.000 0.211 449 D C 2.430 178.729 176.300 -0.002 0.000 0.964 449 D CA 0.195 54.195 54.000 0.001 0.000 0.877 449 D CB 0.001 40.788 40.800 -0.022 0.000 0.924 449 D HN 0.324 nan 8.370 nan 0.000 0.515 450 L N 0.121 121.338 121.223 -0.010 0.000 2.465 450 L HA -0.058 4.320 4.340 0.063 0.000 0.224 450 L C 0.674 177.534 176.870 -0.016 0.000 1.145 450 L CA 0.182 55.013 54.840 -0.015 0.000 0.834 450 L CB -0.319 41.730 42.059 -0.018 0.000 0.944 450 L HN -0.063 nan 8.230 nan 0.000 0.451 451 E N 0.454 120.649 120.200 -0.009 0.000 2.586 451 E HA -0.261 4.127 4.350 0.063 0.000 0.259 451 E C 0.903 177.483 176.600 -0.033 0.000 1.107 451 E CA 0.661 57.059 56.400 -0.004 0.000 0.754 451 E CB -1.058 28.648 29.700 0.010 0.000 1.335 451 E HN 0.555 nan 8.360 nan 0.000 0.411 452 E N -1.382 118.784 120.200 -0.057 0.000 2.371 452 E HA -0.044 4.344 4.350 0.063 0.000 0.194 452 E C 0.236 176.668 176.600 -0.279 0.000 1.012 452 E CA 0.558 56.871 56.400 -0.146 0.000 0.860 452 E CB 0.198 29.806 29.700 -0.154 0.000 0.811 452 E HN 0.387 nan 8.360 nan 0.000 0.502 453 Y N -0.149 120.035 120.300 -0.194 0.000 2.654 453 Y HA 0.442 5.030 4.550 0.063 0.000 0.328 453 Y C 1.297 177.160 175.900 -0.061 0.000 1.174 453 Y CA -0.684 57.311 58.100 -0.175 0.000 1.293 453 Y CB 0.394 38.634 38.460 -0.367 0.000 1.464 453 Y HN -0.160 nan 8.280 nan 0.000 0.559 454 G N -0.441 108.504 108.800 0.242 0.000 2.447 454 G HA2 0.096 4.094 3.960 0.063 0.000 0.269 454 G HA3 0.096 4.094 3.960 0.063 0.000 0.269 454 G C -0.699 174.378 174.900 0.296 0.000 1.455 454 G CA -0.554 44.671 45.100 0.208 0.000 1.061 454 G HN 0.555 nan 8.290 nan 0.000 0.545 455 Q N -0.596 119.330 119.800 0.209 0.000 2.392 455 Q HA 0.090 4.469 4.340 0.063 0.000 0.262 455 Q C -0.454 175.602 176.000 0.094 0.000 1.003 455 Q CA -0.423 55.479 55.803 0.166 0.000 0.888 455 Q CB 0.594 29.405 28.738 0.121 0.000 1.260 455 Q HN 0.469 nan 8.270 nan 0.000 0.435 456 D N 2.344 122.728 120.400 -0.026 0.000 2.450 456 D HA -0.046 4.632 4.640 0.063 0.000 0.247 456 D C 0.510 176.638 176.300 -0.286 0.000 1.162 456 D CA 0.483 54.294 54.000 -0.315 0.000 0.879 456 D CB 0.693 41.377 40.800 -0.193 0.000 1.163 456 D HN 0.550 nan 8.370 nan 0.000 0.472 457 L N 2.999 124.026 121.223 -0.327 0.000 2.478 457 L HA 0.010 4.388 4.340 0.063 0.000 0.223 457 L C 0.566 177.096 176.870 -0.568 0.000 1.140 457 L CA -0.126 54.528 54.840 -0.309 0.000 0.842 457 L CB -0.141 41.888 42.059 -0.049 0.000 0.953 457 L HN 0.298 nan 8.230 nan 0.000 0.452 458 L N 0.722 121.680 121.223 -0.440 0.000 2.360 458 L HA 0.150 4.528 4.340 0.063 0.000 0.276 458 L C 0.123 176.746 176.870 -0.413 0.000 1.121 458 L CA 0.518 55.146 54.840 -0.353 0.000 0.845 458 L CB -0.006 41.950 42.059 -0.171 0.000 1.143 458 L HN 0.028 nan 8.230 nan 0.000 0.452 459 H N 1.411 120.487 119.070 0.010 0.000 2.569 459 H HA 0.315 4.909 4.556 0.063 0.000 0.357 459 H C -0.285 175.084 175.328 0.067 0.000 1.153 459 H CA -0.776 55.298 56.048 0.043 0.000 1.193 459 H CB 1.298 31.100 29.762 0.065 0.000 1.602 459 H HN 0.408 nan 8.280 nan 0.000 0.523 460 T N 2.498 117.162 114.554 0.183 0.000 2.793 460 T HA 0.071 4.459 4.350 0.063 0.000 0.289 460 T C 1.651 176.434 174.700 0.139 0.000 0.956 460 T CA -0.053 62.130 62.100 0.138 0.000 1.177 460 T CB -0.007 68.918 68.868 0.095 0.000 0.897 460 T HN 0.538 nan 8.240 nan 0.000 0.533 461 V N 1.261 121.274 119.914 0.164 0.000 3.635 461 V HA 0.546 4.704 4.120 0.063 0.000 0.266 461 V C 0.030 176.241 176.094 0.194 0.000 1.316 461 V CA -0.059 62.339 62.300 0.163 0.000 1.060 461 V CB -0.298 31.645 31.823 0.200 0.000 0.820 461 V HN 0.636 nan 8.190 nan 0.000 0.447 462 F N 1.150 121.117 119.950 0.029 0.000 2.574 462 F HA 0.754 5.319 4.527 0.063 0.000 0.313 462 F C -0.751 175.061 175.800 0.020 0.000 1.130 462 F CA -0.805 57.204 58.000 0.015 0.000 0.936 462 F CB 1.799 40.803 39.000 0.006 0.000 1.219 462 F HN -0.064 nan 8.300 nan 0.000 0.445 463 K N 4.867 124.991 120.400 -0.459 0.000 2.588 463 K HA 0.275 4.633 4.320 0.063 0.000 0.250 463 K C -0.845 175.494 176.600 -0.436 0.000 0.972 463 K CA -0.564 55.557 56.287 -0.277 0.000 0.821 463 K CB 0.989 33.422 32.500 -0.112 0.000 1.249 463 K HN 0.767 nan 8.250 nan 0.000 0.442 464 N N 2.555 121.079 118.700 -0.294 0.000 2.725 464 N HA -0.220 4.558 4.740 0.063 0.000 0.251 464 N C 0.463 175.850 175.510 -0.205 0.000 1.031 464 N CA 1.742 54.659 53.050 -0.221 0.000 0.720 464 N CB -1.152 37.224 38.487 -0.185 0.000 0.930 464 N HN 1.114 nan 8.380 nan 0.000 0.543 465 G N -1.877 106.688 108.800 -0.393 0.000 2.175 465 G HA2 -0.312 3.686 3.960 0.063 0.000 0.244 465 G HA3 -0.312 3.686 3.960 0.063 0.000 0.244 465 G C -0.184 174.556 174.900 -0.267 0.000 0.982 465 G CA 0.606 45.633 45.100 -0.120 0.000 0.641 465 G HN 0.409 nan 8.290 nan 0.000 0.527 466 K N 0.638 120.699 120.400 -0.565 0.000 2.270 466 K HA 0.632 4.990 4.320 0.063 0.000 0.255 466 K C -0.040 176.317 176.600 -0.404 0.000 0.936 466 K CA -0.825 55.264 56.287 -0.330 0.000 0.809 466 K CB 2.830 35.215 32.500 -0.192 0.000 1.131 466 K HN 0.103 nan 8.250 nan 0.000 0.427 467 V N 2.936 122.769 119.914 -0.134 0.000 2.439 467 V HA 0.011 4.169 4.120 0.063 0.000 0.271 467 V C 1.560 177.621 176.094 -0.056 0.000 1.040 467 V CA 0.216 62.505 62.300 -0.019 0.000 1.002 467 V CB 0.445 32.294 31.823 0.044 0.000 1.000 467 V HN 0.979 nan 8.190 nan 0.000 0.477 468 T N 1.199 115.727 114.554 -0.044 0.000 3.015 468 T HA 0.219 4.607 4.350 0.063 0.000 0.250 468 T C 0.484 175.150 174.700 -0.057 0.000 1.057 468 T CA 0.009 62.077 62.100 -0.054 0.000 1.066 468 T CB 0.321 69.162 68.868 -0.045 0.000 0.959 468 T HN 0.472 nan 8.240 nan 0.000 0.488 469 K N 1.470 121.838 120.400 -0.053 0.000 2.553 469 K HA 0.506 4.864 4.320 0.063 0.000 0.250 469 K C -1.387 175.107 176.600 -0.176 0.000 0.953 469 K CA -0.458 55.745 56.287 -0.141 0.000 0.800 469 K CB 2.047 34.471 32.500 -0.126 0.000 1.243 469 K HN 0.309 nan 8.250 nan 0.000 0.435 470 S N 1.931 117.451 115.700 -0.300 0.000 2.632 470 S HA 0.639 5.147 4.470 0.063 0.000 0.289 470 S C -1.328 173.019 174.600 -0.423 0.000 1.115 470 S CA -0.720 57.346 58.200 -0.224 0.000 0.889 470 S CB 0.976 64.130 63.200 -0.077 0.000 1.116 470 S HN 0.445 nan 8.310 nan 0.000 0.486 471 Y N 0.813 121.198 120.300 0.141 0.000 2.442 471 Y HA 0.591 5.179 4.550 0.064 0.000 0.344 471 Y C 0.726 176.791 175.900 0.275 0.000 0.976 471 Y CA -0.744 57.468 58.100 0.185 0.000 1.040 471 Y CB 2.177 40.762 38.460 0.207 0.000 1.228 471 Y HN 0.956 nan 8.280 nan 0.000 0.451 472 S N 1.355 117.265 115.700 0.350 0.000 2.614 472 S HA 0.123 4.631 4.470 0.063 0.000 0.265 472 S C 0.625 175.451 174.600 0.375 0.000 1.303 472 S CA -0.451 57.951 58.200 0.337 0.000 1.000 472 S CB 0.490 63.819 63.200 0.214 0.000 0.935 472 S HN 0.670 nan 8.310 nan 0.000 0.551 473 F N 1.136 121.209 119.950 0.205 0.000 2.293 473 F HA -0.025 4.538 4.527 0.062 0.000 0.300 473 F C 1.746 177.551 175.800 0.009 0.000 1.086 473 F CA 1.459 59.492 58.000 0.055 0.000 1.375 473 F CB -0.344 38.666 39.000 0.016 0.000 1.045 473 F HN 0.634 nan 8.300 nan 0.000 0.516 474 D N 0.188 120.663 120.400 0.125 0.000 2.117 474 D HA -0.172 4.506 4.640 0.063 0.000 0.198 474 D C 2.057 178.348 176.300 -0.015 0.000 0.982 474 D CA 1.470 55.490 54.000 0.035 0.000 0.828 474 D CB -0.392 40.456 40.800 0.081 0.000 0.967 474 D HN 0.453 nan 8.370 nan 0.000 0.464 475 E N 0.506 120.738 120.200 0.053 0.000 2.077 475 E HA -0.118 4.270 4.350 0.063 0.000 0.193 475 E C 2.411 179.008 176.600 -0.004 0.000 0.989 475 E CA 0.489 56.935 56.400 0.077 0.000 0.800 475 E CB -0.063 29.761 29.700 0.207 0.000 0.746 475 E HN 0.297 nan 8.360 nan 0.000 0.452 476 I N 0.892 121.410 120.570 -0.087 0.000 2.179 476 I HA -0.290 3.918 4.170 0.063 0.000 0.242 476 I C 2.562 178.479 176.117 -0.334 0.000 1.088 476 I CA 1.201 62.366 61.300 -0.225 0.000 1.357 476 I CB -0.232 37.542 38.000 -0.376 0.000 1.051 476 I HN 0.026 nan 8.210 nan 0.000 0.409 477 R N 0.586 120.820 120.500 -0.444 0.000 2.091 477 R HA -0.207 4.171 4.340 0.063 0.000 0.238 477 R C 2.382 178.546 176.300 -0.228 0.000 1.136 477 R CA 1.384 57.250 56.100 -0.390 0.000 0.959 477 R CB -0.303 29.778 30.300 -0.365 0.000 0.856 477 R HN 0.306 nan 8.270 nan 0.000 0.437 478 K N 0.584 120.896 120.400 -0.147 0.000 2.057 478 K HA -0.139 4.219 4.320 0.063 0.000 0.207 478 K C 1.552 178.098 176.600 -0.089 0.000 1.049 478 K CA 1.463 57.696 56.287 -0.091 0.000 0.931 478 K CB 0.005 32.484 32.500 -0.036 0.000 0.714 478 K HN 0.111 nan 8.250 nan 0.000 0.440 479 N N 0.600 119.258 118.700 -0.069 0.000 2.223 479 N HA -0.126 4.652 4.740 0.063 0.000 0.185 479 N C 1.263 176.702 175.510 -0.118 0.000 1.016 479 N CA 1.276 54.285 53.050 -0.067 0.000 0.863 479 N CB -0.142 38.395 38.487 0.082 0.000 0.983 479 N HN 0.258 nan 8.380 nan 0.000 0.429 480 A N 0.526 123.264 122.820 -0.138 0.000 2.307 480 A HA 0.086 4.444 4.320 0.063 0.000 0.218 480 A C 0.722 178.209 177.584 -0.162 0.000 1.228 480 A CA -0.221 51.726 52.037 -0.151 0.000 0.857 480 A CB -0.123 18.758 19.000 -0.199 0.000 0.897 480 A HN 0.239 nan 8.150 nan 0.000 0.495 481 Q N 0.046 119.754 119.800 -0.153 0.000 2.369 481 Q HA 0.210 4.588 4.340 0.063 0.000 0.295 481 Q C -0.367 175.560 176.000 -0.122 0.000 1.075 481 Q CA 0.216 55.932 55.803 -0.145 0.000 0.941 481 Q CB 0.490 29.157 28.738 -0.119 0.000 1.260 481 Q HN 0.524 nan 8.270 nan 0.000 0.417 482 L N 2.175 123.324 121.223 -0.122 0.000 2.464 482 L HA 0.082 4.460 4.340 0.063 0.000 0.264 482 L C 0.688 177.515 176.870 -0.072 0.000 1.199 482 L CA -0.659 54.127 54.840 -0.092 0.000 0.818 482 L CB 0.129 42.133 42.059 -0.093 0.000 1.102 482 L HN 0.647 nan 8.230 nan 0.000 0.473 483 N N 0.000 118.668 118.700 -0.054 0.000 1.763 483 N HA 0.000 4.778 4.740 0.063 0.000 0.220 483 N CA 0.000 53.024 53.050 -0.044 0.000 0.885 483 N CB 0.000 38.468 38.487 -0.031 0.000 1.341 483 N HN 0.000 nan 8.380 nan 0.000 0.667