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 2exi_1_C DATA FIRST_RESID 3 DATA SEQUENCE KIKNPILTGF HPGPSICRVG DDYYIAVSTF EWFPGVRIYH SKDLKNWRLV DATA SEQUENCE ARPLNRLSQL NMIGNPDSGG VWAPHLSYSD GKFWLIYTDV KVVEGQWKDG DATA SEQUENCE HNYLVTCDTI DGAWSDPIYL NSSGFDPSLF HDEDGRKYLV NMYWDHRVDH DATA SEQUENCE HPFYGIVLQE YSVEQKKLVG EPKIIFKGTD LRITEGPHLY KINGYYYLLT DATA SEQUENCE AEGGTRYNHA ATIARSTSLY GPYEVHPDNP LLTSWPYPRN PLQKAGHASI DATA SEQUENCE VHTHTDEWFL VHLTGRPLPR EGQPLLEHRG YCPLGRETAI QRLEWKDGWP DATA SEQUENCE YVVGGNGPSL EIDGPSVEEV SWEKDYDEKD DFDGDTLNHH FQTLRIPLGE DATA SEQUENCE DIATLKARPG HLRLYGRESL TSRFTQAFVA RRWQHFHFVA ETKVSFRPTT DATA SEQUENCE FQQSAGLVNY YNTQNWTTLQ ITWHEEKGRI LELMTCDHLV VDQPLRGREI DATA SEQUENCE VVPDDIEYVY LRVTVQATTY KYSYSFDGMN WIDLPVTFES YKLSDDYIKS DATA SEQUENCE RAAFTGAFVG MHCRDGSGQN NYADFDYFLY KEL 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.606 176.600 0.010 0.000 0.988 3 K CA 0.000 56.293 56.287 0.010 0.000 0.838 3 K CB 0.000 32.501 32.500 0.002 0.000 1.064 4 I N 3.660 124.243 120.570 0.021 0.000 2.301 4 I HA 0.162 4.332 4.170 0.000 0.000 0.292 4 I C -0.351 175.789 176.117 0.039 0.000 1.046 4 I CA -0.272 61.044 61.300 0.026 0.000 1.282 4 I CB 1.126 39.141 38.000 0.024 0.000 1.409 4 I HN 0.059 nan 8.210 nan 0.000 0.484 5 K N 6.111 126.533 120.400 0.037 0.000 2.234 5 K HA 0.276 4.596 4.320 0.000 0.000 0.277 5 K C -0.275 176.349 176.600 0.039 0.000 1.038 5 K CA -0.578 55.734 56.287 0.042 0.000 0.888 5 K CB 0.658 33.184 32.500 0.043 0.000 1.091 5 K HN 0.445 nan 8.250 nan 0.000 0.467 6 N N 4.210 122.934 118.700 0.040 0.000 2.508 6 N HA 0.223 4.963 4.740 0.000 0.000 0.264 6 N C -2.460 173.074 175.510 0.039 0.000 1.216 6 N CA -1.214 51.851 53.050 0.025 0.000 0.943 6 N CB 0.787 39.295 38.487 0.035 0.000 1.113 6 N HN 0.437 nan 8.380 nan 0.000 0.447 7 P HA 0.256 nan 4.420 nan 0.000 0.282 7 P C 1.061 178.299 177.300 -0.103 0.000 1.249 7 P CA -0.494 62.571 63.100 -0.060 0.000 0.806 7 P CB 0.743 32.401 31.700 -0.070 0.000 0.984 8 I N -0.542 119.930 120.570 -0.163 0.000 2.394 8 I HA -0.013 4.157 4.170 0.000 0.000 0.251 8 I C 0.199 176.096 176.117 -0.367 0.000 1.136 8 I CA 1.281 62.467 61.300 -0.190 0.000 1.425 8 I CB -0.442 37.430 38.000 -0.213 0.000 1.079 8 I HN 0.092 nan 8.210 nan 0.000 0.425 9 L N 3.220 124.136 121.223 -0.511 0.000 2.345 9 L HA 0.392 4.732 4.340 0.000 0.000 0.274 9 L C 0.063 176.618 176.870 -0.525 0.000 0.999 9 L CA -0.567 53.800 54.840 -0.788 0.000 0.849 9 L CB 1.506 42.840 42.059 -1.208 0.000 1.220 9 L HN 0.195 nan 8.230 nan 0.000 0.422 10 T N -0.360 113.961 114.554 -0.388 0.000 2.922 10 T HA 0.778 5.128 4.350 0.000 0.000 0.285 10 T C 0.610 175.254 174.700 -0.093 0.000 1.005 10 T CA 0.201 62.173 62.100 -0.214 0.000 1.061 10 T CB 1.920 70.635 68.868 -0.254 0.000 1.007 10 T HN 0.941 nan 8.240 nan 0.000 0.502 11 G N 1.398 110.143 108.800 -0.092 0.000 2.750 11 G HA2 -0.122 3.838 3.960 0.000 0.000 0.228 11 G HA3 -0.122 3.838 3.960 0.000 0.000 0.228 11 G C -0.363 174.574 174.900 0.062 0.000 1.367 11 G CA -0.358 44.703 45.100 -0.065 0.000 0.871 11 G HN 1.556 nan 8.290 nan 0.000 0.560 12 F N 2.094 121.913 119.950 -0.218 0.000 2.452 12 F HA 0.412 4.939 4.527 0.000 0.000 0.358 12 F C 0.751 176.323 175.800 -0.380 0.000 1.141 12 F CA 0.401 58.280 58.000 -0.202 0.000 1.004 12 F CB -0.672 38.222 39.000 -0.177 0.000 1.046 12 F HN 0.533 nan 8.300 nan 0.000 0.575 13 H N 5.159 124.109 119.070 -0.199 0.000 2.823 13 H HA 0.301 4.857 4.556 0.000 0.000 0.222 13 H C -2.607 172.653 175.328 -0.114 0.000 1.414 13 H CA -1.283 54.593 56.048 -0.288 0.000 1.289 13 H CB 0.302 29.903 29.762 -0.267 0.000 1.970 13 H HN 0.362 nan 8.280 nan 0.000 0.517 14 P HA 0.226 nan 4.420 nan 0.000 0.279 14 P C 0.738 178.092 177.300 0.090 0.000 1.276 14 P CA -0.157 63.025 63.100 0.138 0.000 0.801 14 P CB 0.799 32.658 31.700 0.265 0.000 1.127 15 G N -0.439 108.394 108.800 0.056 0.000 2.372 15 G HA2 -0.160 3.800 3.960 0.000 0.000 0.297 15 G HA3 -0.160 3.800 3.960 0.000 0.000 0.297 15 G C -2.445 172.572 174.900 0.196 0.000 1.005 15 G CA -0.669 44.465 45.100 0.056 0.000 1.173 15 G HN 0.349 nan 8.290 nan 0.000 0.511 16 P HA 0.328 nan 4.420 nan 0.000 0.266 16 P C -0.006 177.441 177.300 0.246 0.000 1.215 16 P CA 0.372 63.567 63.100 0.158 0.000 0.763 16 P CB 1.585 33.329 31.700 0.074 0.000 0.806 17 S N 3.971 119.808 115.700 0.228 0.000 2.566 17 S HA 0.535 5.005 4.470 0.000 0.000 0.324 17 S C -0.533 174.215 174.600 0.246 0.000 1.081 17 S CA -0.802 57.556 58.200 0.264 0.000 1.105 17 S CB -0.222 63.165 63.200 0.312 0.000 0.981 17 S HN 0.350 nan 8.310 nan 0.000 0.464 18 I N 4.680 125.409 120.570 0.266 0.000 2.392 18 I HA 0.602 4.772 4.170 0.000 0.000 0.295 18 I C -0.734 175.622 176.117 0.398 0.000 0.985 18 I CA -0.424 61.074 61.300 0.331 0.000 1.221 18 I CB 0.979 39.166 38.000 0.312 0.000 1.366 18 I HN 0.701 nan 8.210 nan 0.000 0.467 19 C N 8.030 127.620 119.300 0.483 0.000 2.396 19 C HA 0.523 4.983 4.460 0.000 0.000 0.321 19 C C -0.334 174.950 174.990 0.489 0.000 1.233 19 C CA -0.639 58.676 59.018 0.494 0.000 1.440 19 C CB 1.079 29.152 27.740 0.554 0.000 2.110 19 C HN 0.904 nan 8.230 nan 0.000 0.473 20 R N 4.409 125.120 120.500 0.352 0.000 2.229 20 R HA 0.681 5.021 4.340 0.000 0.000 0.328 20 R C -1.475 174.813 176.300 -0.019 0.000 1.009 20 R CA -0.225 55.932 56.100 0.095 0.000 0.864 20 R CB 0.970 31.376 30.300 0.176 0.000 1.085 20 R HN 0.641 nan 8.270 nan 0.000 0.453 21 V N 5.827 125.647 119.914 -0.156 0.000 2.327 21 V HA 0.361 4.481 4.120 0.000 0.000 0.272 21 V C 1.015 176.932 176.094 -0.296 0.000 1.019 21 V CA 0.155 62.290 62.300 -0.275 0.000 0.814 21 V CB 0.527 32.139 31.823 -0.351 0.000 1.040 21 V HN 1.179 nan 8.190 nan 0.000 0.440 22 G N 4.635 113.271 108.800 -0.274 0.000 2.846 22 G HA2 -0.324 3.636 3.960 0.000 0.000 0.317 22 G HA3 -0.324 3.636 3.960 0.000 0.000 0.317 22 G C 0.571 175.247 174.900 -0.375 0.000 1.210 22 G CA 0.753 45.694 45.100 -0.265 0.000 0.972 22 G HN 0.866 nan 8.290 nan 0.000 0.567 23 D N 0.864 121.015 120.400 -0.415 0.000 2.503 23 D HA 0.194 4.834 4.640 0.000 0.000 0.218 23 D C -0.477 175.640 176.300 -0.305 0.000 1.183 23 D CA 0.125 53.868 54.000 -0.428 0.000 0.827 23 D CB 0.268 40.777 40.800 -0.485 0.000 1.034 23 D HN 0.471 nan 8.370 nan 0.000 0.510 24 D N 0.607 120.761 120.400 -0.411 0.000 2.175 24 D HA 0.262 4.902 4.640 0.000 0.000 0.248 24 D C -0.780 175.051 176.300 -0.781 0.000 1.047 24 D CA -0.106 53.686 54.000 -0.347 0.000 0.883 24 D CB 1.392 42.140 40.800 -0.087 0.000 1.180 24 D HN 0.069 nan 8.370 nan 0.000 0.438 25 Y N 0.787 120.835 120.300 -0.421 0.000 2.425 25 Y HA 0.354 4.904 4.550 0.000 0.000 0.344 25 Y C -0.707 175.060 175.900 -0.222 0.000 0.969 25 Y CA -0.908 57.057 58.100 -0.225 0.000 1.052 25 Y CB 1.510 39.917 38.460 -0.088 0.000 1.215 25 Y HN 0.239 nan 8.280 nan 0.000 0.451 26 Y N 2.987 123.649 120.300 0.604 0.000 2.406 26 Y HA 0.647 5.197 4.550 0.000 0.000 0.340 26 Y C -0.633 175.550 175.900 0.471 0.000 0.975 26 Y CA -1.208 57.225 58.100 0.555 0.000 1.056 26 Y CB 1.693 40.389 38.460 0.393 0.000 1.210 26 Y HN 0.384 nan 8.280 nan 0.000 0.448 27 I N 2.989 123.861 120.570 0.503 0.000 2.389 27 I HA 0.631 4.801 4.170 0.000 0.000 0.288 27 I C -0.348 175.911 176.117 0.236 0.000 0.999 27 I CA -0.930 60.505 61.300 0.225 0.000 1.129 27 I CB 1.549 39.457 38.000 -0.155 0.000 1.288 27 I HN 0.748 nan 8.210 nan 0.000 0.444 28 A N 6.943 129.881 122.820 0.197 0.000 2.301 28 A HA 0.730 5.050 4.320 0.000 0.000 0.298 28 A C -0.282 177.371 177.584 0.115 0.000 1.185 28 A CA -0.431 51.684 52.037 0.130 0.000 0.830 28 A CB 0.798 19.862 19.000 0.106 0.000 1.112 28 A HN 0.598 nan 8.150 nan 0.000 0.508 29 V N 0.935 120.897 119.914 0.080 0.000 2.864 29 V HA 0.847 4.967 4.120 0.000 0.000 0.314 29 V C 0.194 176.268 176.094 -0.033 0.000 1.073 29 V CA -0.323 62.003 62.300 0.043 0.000 0.956 29 V CB 1.346 33.206 31.823 0.061 0.000 1.023 29 V HN 1.161 nan 8.190 nan 0.000 0.435 30 S N 1.547 117.223 115.700 -0.040 0.000 2.585 30 S HA 0.486 4.956 4.470 0.000 0.000 0.273 30 S C 0.709 175.305 174.600 -0.007 0.000 1.339 30 S CA 0.261 58.418 58.200 -0.072 0.000 1.028 30 S CB 1.034 64.123 63.200 -0.185 0.000 0.906 30 S HN 1.546 nan 8.310 nan 0.000 0.528 31 T N -2.194 112.444 114.554 0.140 0.000 3.087 31 T HA 0.315 4.665 4.350 0.000 0.000 0.283 31 T C 0.525 175.671 174.700 0.743 0.000 0.956 31 T CA -0.260 62.113 62.100 0.455 0.000 0.894 31 T CB -0.848 68.145 68.868 0.208 0.000 1.160 31 T HN 0.523 nan 8.240 nan 0.000 0.532 32 F N 2.861 123.058 119.950 0.412 0.000 2.636 32 F HA -0.383 4.144 4.527 0.000 0.000 0.222 32 F C 2.038 177.983 175.800 0.241 0.000 1.471 32 F CA 2.248 60.449 58.000 0.334 0.000 1.965 32 F CB -1.077 38.081 39.000 0.264 0.000 0.463 32 F HN 0.352 nan 8.300 nan 0.000 0.244 33 E N 0.374 120.777 120.200 0.338 0.000 2.435 33 E HA -0.063 4.287 4.350 0.000 0.000 0.195 33 E C 0.208 176.795 176.600 -0.022 0.000 1.029 33 E CA 0.620 57.056 56.400 0.060 0.000 0.865 33 E CB -0.389 29.230 29.700 -0.135 0.000 0.833 33 E HN 0.523 nan 8.360 nan 0.000 0.510 34 W N 1.075 122.458 121.300 0.138 0.000 2.238 34 W HA 0.354 5.015 4.660 0.000 0.000 0.321 34 W C -0.101 176.517 176.519 0.164 0.000 1.293 34 W CA -0.522 56.881 57.345 0.096 0.000 1.204 34 W CB 0.354 29.858 29.460 0.074 0.000 1.167 34 W HN -0.114 nan 8.180 nan 0.000 0.553 35 F N 5.750 125.832 119.950 0.220 0.000 2.508 35 F HA 0.523 5.050 4.527 0.000 0.000 0.325 35 F C -1.742 174.121 175.800 0.105 0.000 1.090 35 F CA -2.896 55.168 58.000 0.106 0.000 0.945 35 F CB 1.348 40.367 39.000 0.031 0.000 1.156 35 F HN 0.078 nan 8.300 nan 0.000 0.463 36 P HA 0.196 nan 4.420 nan 0.000 0.273 36 P C -0.648 176.265 177.300 -0.646 0.000 1.250 36 P CA -0.234 62.083 63.100 -1.306 0.000 0.793 36 P CB 0.611 31.811 31.700 -0.834 0.000 1.011 37 G N -0.345 108.062 108.800 -0.654 0.000 2.395 37 G HA2 0.480 4.440 3.960 0.000 0.000 0.283 37 G HA3 0.480 4.440 3.960 0.000 0.000 0.283 37 G C -0.664 174.034 174.900 -0.338 0.000 1.178 37 G CA -0.530 44.373 45.100 -0.329 0.000 0.837 37 G HN 0.448 nan 8.290 nan 0.000 0.518 38 V N 0.398 120.176 119.914 -0.226 0.000 3.532 38 V HA -0.200 3.921 4.120 0.000 0.000 0.505 38 V C 0.123 176.080 176.094 -0.229 0.000 0.682 38 V CA 0.327 62.495 62.300 -0.220 0.000 2.056 38 V CB -0.780 30.869 31.823 -0.291 0.000 2.484 38 V HN 1.083 nan 8.190 nan 0.000 0.509 39 R N 4.162 124.557 120.500 -0.174 0.000 2.445 39 R HA 0.811 5.151 4.340 0.000 0.000 0.308 39 R C -0.489 175.708 176.300 -0.172 0.000 0.961 39 R CA -0.743 55.228 56.100 -0.216 0.000 0.862 39 R CB 1.866 32.060 30.300 -0.177 0.000 1.144 39 R HN 0.679 nan 8.270 nan 0.000 0.447 40 I N 3.001 123.419 120.570 -0.254 0.000 2.433 40 I HA 0.351 4.521 4.170 0.000 0.000 0.292 40 I C -0.813 175.192 176.117 -0.186 0.000 1.001 40 I CA -0.921 60.319 61.300 -0.100 0.000 1.119 40 I CB 1.307 39.274 38.000 -0.056 0.000 1.289 40 I HN 0.431 nan 8.210 nan 0.000 0.438 41 Y N 3.749 124.171 120.300 0.204 0.000 2.446 41 Y HA 0.415 4.965 4.550 0.000 0.000 0.338 41 Y C 0.085 176.321 175.900 0.559 0.000 1.055 41 Y CA -0.491 57.795 58.100 0.310 0.000 1.101 41 Y CB 1.479 40.077 38.460 0.230 0.000 1.221 41 Y HN 0.476 nan 8.280 nan 0.000 0.460 42 H N 1.330 120.670 119.070 0.449 0.000 2.495 42 H HA 0.628 5.184 4.556 0.000 0.000 0.348 42 H C -1.478 173.835 175.328 -0.024 0.000 1.113 42 H CA -0.275 55.865 56.048 0.153 0.000 1.195 42 H CB 2.015 31.756 29.762 -0.035 0.000 1.521 42 H HN 0.665 nan 8.280 nan 0.000 0.509 43 S N 3.070 118.261 115.700 -0.848 0.000 2.564 43 S HA 0.290 4.760 4.470 0.000 0.000 0.274 43 S C 0.195 174.426 174.600 -0.615 0.000 1.124 43 S CA -0.753 56.911 58.200 -0.892 0.000 0.869 43 S CB 1.733 63.728 63.200 -2.008 0.000 1.105 43 S HN 0.766 nan 8.310 nan 0.000 0.472 44 K N 1.202 121.426 120.400 -0.293 0.000 2.287 44 K HA 0.085 4.405 4.320 0.000 0.000 0.199 44 K C 0.579 177.084 176.600 -0.159 0.000 1.061 44 K CA 0.842 57.068 56.287 -0.102 0.000 0.976 44 K CB -0.101 32.367 32.500 -0.054 0.000 0.898 44 K HN 0.762 nan 8.250 nan 0.000 0.492 45 D N 0.665 120.871 120.400 -0.323 0.000 2.339 45 D HA 0.017 4.657 4.640 0.000 0.000 0.217 45 D C 1.062 177.120 176.300 -0.403 0.000 1.050 45 D CA -0.015 53.796 54.000 -0.315 0.000 0.856 45 D CB -0.090 40.540 40.800 -0.283 0.000 0.922 45 D HN 0.110 nan 8.370 nan 0.000 0.518 46 L N -1.514 119.359 121.223 -0.584 0.000 5.051 46 L HA -0.360 3.980 4.340 0.000 0.000 0.432 46 L C 1.682 178.487 176.870 -0.109 0.000 1.055 46 L CA 1.595 56.169 54.840 -0.443 0.000 1.095 46 L CB -1.330 40.469 42.059 -0.434 0.000 1.957 46 L HN 0.277 nan 8.230 nan 0.000 0.727 47 K N 0.399 120.655 120.400 -0.240 0.000 2.225 47 K HA 0.116 4.436 4.320 0.000 0.000 0.204 47 K C 0.739 177.337 176.600 -0.003 0.000 1.047 47 K CA 0.302 56.563 56.287 -0.043 0.000 0.970 47 K CB 0.395 32.841 32.500 -0.090 0.000 0.939 47 K HN 0.240 nan 8.250 nan 0.000 0.472 48 N N 0.719 119.303 118.700 -0.194 0.000 2.426 48 N HA 0.112 4.852 4.740 0.000 0.000 0.275 48 N C -1.526 173.992 175.510 0.013 0.000 1.019 48 N CA -0.137 52.901 53.050 -0.020 0.000 0.941 48 N CB 0.859 39.257 38.487 -0.148 0.000 1.123 48 N HN 0.122 nan 8.380 nan 0.000 0.486 49 W N 1.437 122.909 121.300 0.286 0.000 2.761 49 W HA 0.458 5.118 4.660 0.000 0.000 0.340 49 W C 0.195 176.848 176.519 0.224 0.000 1.072 49 W CA -0.929 56.551 57.345 0.224 0.000 1.215 49 W CB 1.427 30.899 29.460 0.020 0.000 1.420 49 W HN 0.329 nan 8.180 nan 0.000 0.519 50 R N 1.744 122.419 120.500 0.292 0.000 2.621 50 R HA 0.730 5.070 4.340 0.000 0.000 0.284 50 R C -1.480 174.936 176.300 0.194 0.000 0.998 50 R CA -1.214 54.980 56.100 0.157 0.000 0.895 50 R CB 1.457 31.553 30.300 -0.341 0.000 1.195 50 R HN 0.474 nan 8.270 nan 0.000 0.450 51 L N 3.820 125.087 121.223 0.073 0.000 2.477 51 L HA 0.069 4.409 4.340 0.000 0.000 0.272 51 L C 0.540 177.322 176.870 -0.147 0.000 1.157 51 L CA 0.438 55.059 54.840 -0.364 0.000 0.889 51 L CB 1.456 43.139 42.059 -0.626 0.000 1.158 51 L HN 0.814 nan 8.230 nan 0.000 0.473 52 V N 1.984 121.808 119.914 -0.151 0.000 3.359 52 V HA 0.689 4.809 4.120 0.000 0.000 0.245 52 V C 0.577 176.620 176.094 -0.085 0.000 1.247 52 V CA 0.446 62.702 62.300 -0.073 0.000 1.145 52 V CB -0.341 31.461 31.823 -0.035 0.000 0.906 52 V HN 0.870 nan 8.190 nan 0.000 0.464 53 A N 0.806 123.544 122.820 -0.137 0.000 2.427 53 A HA 0.857 5.177 4.320 0.000 0.000 0.298 53 A C -0.492 176.976 177.584 -0.193 0.000 1.036 53 A CA -0.775 51.192 52.037 -0.117 0.000 0.701 53 A CB 1.350 20.311 19.000 -0.065 0.000 1.250 53 A HN 0.376 nan 8.150 nan 0.000 0.412 54 R N 3.178 123.569 120.500 -0.181 0.000 2.564 54 R HA 0.280 4.620 4.340 0.000 0.000 0.282 54 R C -2.318 173.808 176.300 -0.291 0.000 1.573 54 R CA -1.486 54.464 56.100 -0.251 0.000 1.588 54 R CB 1.081 31.248 30.300 -0.221 0.000 1.154 54 R HN 0.428 nan 8.270 nan 0.000 0.606 55 P HA -0.167 nan 4.420 nan 0.000 0.214 55 P C 0.159 177.188 177.300 -0.451 0.000 1.163 55 P CA 1.071 63.818 63.100 -0.588 0.000 0.883 55 P CB 0.257 31.174 31.700 -1.305 0.000 0.788 56 L N 1.139 122.051 121.223 -0.519 0.000 2.382 56 L HA 0.126 4.466 4.340 0.000 0.000 0.259 56 L C 0.859 177.477 176.870 -0.419 0.000 1.291 56 L CA -0.071 54.502 54.840 -0.445 0.000 1.176 56 L CB -0.883 40.845 42.059 -0.550 0.000 1.373 56 L HN 0.120 nan 8.230 nan 0.000 0.426 57 N N 0.954 119.516 118.700 -0.229 0.000 2.171 57 N HA 0.042 4.782 4.740 0.000 0.000 0.212 57 N C 0.273 175.893 175.510 0.184 0.000 1.184 57 N CA -0.294 52.684 53.050 -0.120 0.000 0.888 57 N CB 0.521 38.937 38.487 -0.117 0.000 1.038 57 N HN 0.335 nan 8.380 nan 0.000 0.517 58 R N 0.457 121.038 120.500 0.134 0.000 2.338 58 R HA 0.381 4.721 4.340 0.000 0.000 0.317 58 R C 0.830 177.206 176.300 0.127 0.000 0.968 58 R CA -0.638 55.536 56.100 0.123 0.000 0.849 58 R CB 1.904 32.242 30.300 0.064 0.000 1.128 58 R HN -0.000 nan 8.270 nan 0.000 0.448 59 L N 1.423 122.694 121.223 0.081 0.000 2.197 59 L HA -0.296 4.044 4.340 0.000 0.000 0.215 59 L C 2.343 179.220 176.870 0.011 0.000 1.095 59 L CA 1.902 56.752 54.840 0.017 0.000 0.764 59 L CB -0.294 41.744 42.059 -0.036 0.000 0.897 59 L HN 0.737 nan 8.230 nan 0.000 0.436 60 S N -1.448 114.262 115.700 0.017 0.000 2.423 60 S HA -0.196 4.274 4.470 0.000 0.000 0.231 60 S C 1.791 176.391 174.600 -0.001 0.000 1.014 60 S CA 0.814 59.017 58.200 0.005 0.000 0.965 60 S CB -0.113 63.096 63.200 0.015 0.000 0.785 60 S HN 0.527 nan 8.310 nan 0.000 0.495 61 Q N -0.417 119.394 119.800 0.018 0.000 2.165 61 Q HA 0.369 4.709 4.340 0.000 0.000 0.197 61 Q C -0.438 175.567 176.000 0.009 0.000 0.952 61 Q CA 0.515 56.328 55.803 0.017 0.000 0.848 61 Q CB 0.190 28.915 28.738 -0.021 0.000 0.931 61 Q HN 0.448 nan 8.270 nan 0.000 0.470 62 L N 1.362 122.613 121.223 0.047 0.000 2.504 62 L HA 0.394 4.734 4.340 0.000 0.000 0.265 62 L C -1.786 175.142 176.870 0.096 0.000 0.975 62 L CA -0.398 54.505 54.840 0.104 0.000 0.864 62 L CB 1.749 43.905 42.059 0.160 0.000 1.212 62 L HN -0.099 nan 8.230 nan 0.000 0.416 63 N N 5.372 124.091 118.700 0.031 0.000 2.564 63 N HA 0.427 5.167 4.740 0.000 0.000 0.248 63 N C -0.410 175.096 175.510 -0.008 0.000 0.986 63 N CA -0.178 52.861 53.050 -0.020 0.000 0.921 63 N CB 0.879 39.348 38.487 -0.029 0.000 1.136 63 N HN 0.681 nan 8.380 nan 0.000 0.509 64 M N 2.836 122.413 119.600 -0.039 0.000 2.496 64 M HA 0.283 4.763 4.480 0.000 0.000 0.330 64 M C 0.449 176.694 176.300 -0.093 0.000 1.133 64 M CA -0.485 54.799 55.300 -0.026 0.000 0.964 64 M CB 0.549 33.164 32.600 0.024 0.000 1.401 64 M HN 0.411 nan 8.290 nan 0.000 0.520 65 I N 1.134 121.641 120.570 -0.104 0.000 2.775 65 I HA 0.040 4.210 4.170 0.000 0.000 0.290 65 I C 1.342 177.335 176.117 -0.207 0.000 1.203 65 I CA 1.584 62.807 61.300 -0.129 0.000 1.433 65 I CB 0.591 38.573 38.000 -0.030 0.000 1.354 65 I HN 0.684 nan 8.210 nan 0.000 0.579 66 G N 4.453 112.929 108.800 -0.541 0.000 2.284 66 G HA2 -0.343 3.617 3.960 0.000 0.000 0.261 66 G HA3 -0.343 3.617 3.960 0.000 0.000 0.261 66 G C 0.432 175.070 174.900 -0.437 0.000 0.997 66 G CA 0.277 44.861 45.100 -0.860 0.000 0.621 66 G HN 0.666 nan 8.290 nan 0.000 0.534 67 N N 2.472 121.024 118.700 -0.246 0.000 2.232 67 N HA 0.270 5.010 4.740 0.000 0.000 0.251 67 N C -1.719 173.718 175.510 -0.121 0.000 1.242 67 N CA 0.078 53.056 53.050 -0.120 0.000 0.837 67 N CB 0.621 39.079 38.487 -0.049 0.000 1.079 67 N HN 0.349 nan 8.380 nan 0.000 0.461 68 P HA 0.088 nan 4.420 nan 0.000 0.274 68 P C -0.837 176.458 177.300 -0.009 0.000 1.237 68 P CA -0.328 62.755 63.100 -0.029 0.000 0.793 68 P CB 0.581 32.293 31.700 0.020 0.000 0.977 69 D N 0.787 121.164 120.400 -0.038 0.000 2.533 69 D HA -0.020 4.620 4.640 0.000 0.000 0.236 69 D C 0.712 177.008 176.300 -0.007 0.000 1.137 69 D CA 1.014 54.980 54.000 -0.056 0.000 0.867 69 D CB -0.286 40.468 40.800 -0.077 0.000 1.170 69 D HN 0.301 nan 8.370 nan 0.000 0.474 70 S N -0.081 115.620 115.700 0.003 0.000 3.476 70 S HA -0.139 4.331 4.470 0.000 0.000 0.309 70 S C 0.826 175.756 174.600 0.550 0.000 1.222 70 S CA 0.781 59.035 58.200 0.090 0.000 0.922 70 S CB -1.256 61.810 63.200 -0.222 0.000 1.023 70 S HN 0.768 nan 8.310 nan 0.000 0.591 71 G N -0.119 108.965 108.800 0.473 0.000 2.543 71 G HA2 0.734 4.694 3.960 0.000 0.000 0.267 71 G HA3 0.734 4.694 3.960 0.000 0.000 0.267 71 G C 0.860 176.095 174.900 0.557 0.000 1.406 71 G CA 0.274 45.715 45.100 0.567 0.000 1.048 71 G HN 1.483 nan 8.290 nan 0.000 0.548 72 G N -1.925 107.057 108.800 0.304 0.000 2.527 72 G HA2 -0.153 3.807 3.960 0.000 0.000 0.262 72 G HA3 -0.153 3.807 3.960 0.000 0.000 0.262 72 G C 0.003 175.043 174.900 0.234 0.000 1.153 72 G CA 0.179 45.420 45.100 0.235 0.000 0.954 72 G HN 1.495 nan 8.290 nan 0.000 0.552 73 V N 1.844 121.875 119.914 0.194 0.000 2.370 73 V HA 0.428 4.549 4.120 0.000 0.000 0.257 73 V C 0.644 176.629 176.094 -0.182 0.000 1.064 73 V CA -0.052 62.304 62.300 0.094 0.000 0.975 73 V CB -0.044 31.815 31.823 0.059 0.000 1.067 73 V HN 0.467 nan 8.190 nan 0.000 0.485 74 W N 2.356 123.389 121.300 -0.444 0.000 1.779 74 W HA 0.611 5.271 4.660 0.000 0.000 0.531 74 W C 0.973 177.280 176.519 -0.353 0.000 2.111 74 W CA -0.830 56.121 57.345 -0.657 0.000 2.396 74 W CB -0.010 29.258 29.460 -0.320 0.000 1.997 74 W HN 0.508 nan 8.180 nan 0.000 0.791 75 A N 3.873 126.730 122.820 0.061 0.000 2.566 75 A HA 0.209 4.529 4.320 0.000 0.000 0.245 75 A C -2.033 175.684 177.584 0.222 0.000 1.056 75 A CA -0.482 51.631 52.037 0.127 0.000 0.757 75 A CB -1.328 17.801 19.000 0.216 0.000 0.979 75 A HN 0.174 nan 8.150 nan 0.000 0.508 76 P HA 0.355 nan 4.420 nan 0.000 0.281 76 P C -1.045 176.473 177.300 0.363 0.000 1.264 76 P CA -0.202 63.045 63.100 0.245 0.000 0.824 76 P CB 1.031 32.813 31.700 0.137 0.000 1.092 77 H N 0.928 120.148 119.070 0.251 0.000 2.708 77 H HA 0.509 5.065 4.556 0.000 0.000 0.320 77 H C -1.420 174.076 175.328 0.280 0.000 0.991 77 H CA -0.762 55.455 56.048 0.281 0.000 1.243 77 H CB 0.191 30.129 29.762 0.294 0.000 1.446 77 H HN 0.135 nan 8.280 nan 0.000 0.502 78 L N 4.946 126.162 121.223 -0.011 0.000 2.275 78 L HA 0.606 4.946 4.340 0.000 0.000 0.288 78 L C -0.536 176.333 176.870 -0.002 0.000 1.046 78 L CA 0.074 54.965 54.840 0.086 0.000 0.805 78 L CB 0.833 43.022 42.059 0.217 0.000 1.193 78 L HN 0.789 nan 8.230 nan 0.000 0.426 79 S N 3.762 119.585 115.700 0.206 0.000 2.720 79 S HA 0.669 5.139 4.470 0.000 0.000 0.287 79 S C -1.352 173.548 174.600 0.499 0.000 1.168 79 S CA -0.669 57.711 58.200 0.300 0.000 0.832 79 S CB 1.320 64.673 63.200 0.256 0.000 1.166 79 S HN 0.577 nan 8.310 nan 0.000 0.493 80 Y N 0.252 120.656 120.300 0.174 0.000 2.361 80 Y HA 0.671 5.221 4.550 0.000 0.000 0.328 80 Y C -0.654 175.172 175.900 -0.122 0.000 1.044 80 Y CA -0.007 58.111 58.100 0.029 0.000 1.085 80 Y CB 1.832 40.155 38.460 -0.229 0.000 1.194 80 Y HN 1.016 nan 8.280 nan 0.000 0.438 81 S N 3.607 119.202 115.700 -0.176 0.000 2.550 81 S HA 0.366 4.836 4.470 0.000 0.000 0.270 81 S C -1.562 173.041 174.600 0.005 0.000 1.145 81 S CA -0.636 57.439 58.200 -0.208 0.000 0.852 81 S CB 0.878 63.539 63.200 -0.899 0.000 1.119 81 S HN 0.805 nan 8.310 nan 0.000 0.465 82 D N 2.080 122.474 120.400 -0.011 0.000 2.692 82 D HA -0.158 4.482 4.640 0.000 0.000 0.233 82 D C 0.909 177.159 176.300 -0.082 0.000 1.172 82 D CA 2.039 56.048 54.000 0.016 0.000 0.636 82 D CB -1.646 39.220 40.800 0.111 0.000 1.028 82 D HN 1.513 nan 8.370 nan 0.000 0.419 83 G N -0.331 108.370 108.800 -0.164 0.000 2.148 83 G HA2 -0.341 3.619 3.960 0.000 0.000 0.254 83 G HA3 -0.341 3.619 3.960 0.000 0.000 0.254 83 G C 0.138 174.752 174.900 -0.477 0.000 0.981 83 G CA 0.786 45.767 45.100 -0.197 0.000 0.670 83 G HN 0.834 nan 8.290 nan 0.000 0.528 84 K N -1.003 118.866 120.400 -0.884 0.000 2.523 84 K HA 0.696 5.016 4.320 0.000 0.000 0.257 84 K C -0.733 175.231 176.600 -1.059 0.000 0.932 84 K CA -1.356 54.402 56.287 -0.882 0.000 0.812 84 K CB 1.392 33.470 32.500 -0.703 0.000 1.326 84 K HN -0.053 nan 8.250 nan 0.000 0.433 85 F N 1.280 120.880 119.950 -0.582 0.000 2.471 85 F HA 0.269 4.796 4.527 0.000 0.000 0.353 85 F C -0.337 175.429 175.800 -0.057 0.000 1.113 85 F CA 0.452 58.386 58.000 -0.109 0.000 1.262 85 F CB 0.509 39.480 39.000 -0.047 0.000 1.146 85 F HN 0.407 nan 8.300 nan 0.000 0.578 86 W N 4.891 126.414 121.300 0.372 0.000 2.702 86 W HA 0.630 5.290 4.660 0.000 0.000 0.331 86 W C -1.415 175.338 176.519 0.391 0.000 1.049 86 W CA -0.878 56.686 57.345 0.365 0.000 1.230 86 W CB 1.312 30.937 29.460 0.276 0.000 1.408 86 W HN 0.151 nan 8.180 nan 0.000 0.492 87 L N 5.628 127.183 121.223 0.553 0.000 2.406 87 L HA 0.563 4.903 4.340 0.000 0.000 0.270 87 L C -1.233 175.849 176.870 0.354 0.000 0.982 87 L CA -0.743 54.284 54.840 0.311 0.000 0.843 87 L CB 0.510 42.528 42.059 -0.069 0.000 1.225 87 L HN 0.217 nan 8.230 nan 0.000 0.412 88 I N 5.949 126.722 120.570 0.338 0.000 2.331 88 I HA 0.385 4.555 4.170 0.000 0.000 0.292 88 I C -0.215 176.102 176.117 0.333 0.000 0.998 88 I CA -0.448 61.025 61.300 0.289 0.000 1.267 88 I CB 0.342 38.491 38.000 0.249 0.000 1.386 88 I HN 0.690 nan 8.210 nan 0.000 0.476 89 Y N 2.971 123.360 120.300 0.149 0.000 2.669 89 Y HA 0.845 5.395 4.550 0.000 0.000 0.335 89 Y C -0.075 175.926 175.900 0.169 0.000 1.116 89 Y CA -1.127 57.056 58.100 0.139 0.000 1.081 89 Y CB 1.240 39.754 38.460 0.089 0.000 1.297 89 Y HN 0.577 nan 8.280 nan 0.000 0.484 90 T N -1.362 113.345 114.554 0.256 0.000 2.942 90 T HA 0.511 4.862 4.350 0.000 0.000 0.289 90 T C -1.579 173.286 174.700 0.276 0.000 1.044 90 T CA -0.627 61.547 62.100 0.123 0.000 1.023 90 T CB 1.861 70.719 68.868 -0.017 0.000 1.123 90 T HN 0.716 nan 8.240 nan 0.000 0.512 91 D N 1.175 121.712 120.400 0.229 0.000 2.421 91 D HA 0.416 5.056 4.640 0.000 0.000 0.254 91 D C -0.973 175.329 176.300 0.003 0.000 1.238 91 D CA -0.438 53.688 54.000 0.210 0.000 0.919 91 D CB 1.171 42.190 40.800 0.365 0.000 1.152 91 D HN 0.491 nan 8.370 nan 0.000 0.552 92 V N 5.286 125.103 119.914 -0.162 0.000 2.432 92 V HA 0.283 4.403 4.120 0.000 0.000 0.275 92 V C 1.250 177.261 176.094 -0.138 0.000 1.043 92 V CA -0.435 61.657 62.300 -0.346 0.000 0.925 92 V CB 1.609 32.903 31.823 -0.882 0.000 0.985 92 V HN 0.397 nan 8.190 nan 0.000 0.466 93 K N 2.881 123.191 120.400 -0.149 0.000 2.313 93 K HA 0.264 4.584 4.320 0.000 0.000 0.197 93 K C 0.057 176.627 176.600 -0.050 0.000 1.061 93 K CA 0.640 56.889 56.287 -0.063 0.000 0.980 93 K CB 0.797 33.269 32.500 -0.047 0.000 0.888 93 K HN 0.456 nan 8.250 nan 0.000 0.502 94 V N 2.519 122.378 119.914 -0.091 0.000 2.409 94 V HA 0.169 4.289 4.120 0.000 0.000 0.291 94 V C 0.571 176.650 176.094 -0.025 0.000 1.020 94 V CA -0.567 61.708 62.300 -0.042 0.000 0.848 94 V CB 1.778 33.575 31.823 -0.044 0.000 0.990 94 V HN 0.042 nan 8.190 nan 0.000 0.430 95 V N 0.839 120.793 119.914 0.066 0.000 3.346 95 V HA 0.547 4.667 4.120 0.000 0.000 0.309 95 V C 0.224 176.406 176.094 0.146 0.000 1.457 95 V CA 0.139 62.535 62.300 0.160 0.000 1.069 95 V CB -0.071 31.923 31.823 0.285 0.000 0.944 95 V HN 0.793 nan 8.190 nan 0.000 0.449 96 E N 0.257 120.525 120.200 0.114 0.000 2.356 96 E HA 0.663 5.013 4.350 0.000 0.000 0.275 96 E C 0.124 176.818 176.600 0.155 0.000 0.904 96 E CA -0.179 56.296 56.400 0.125 0.000 0.757 96 E CB 2.321 32.075 29.700 0.090 0.000 1.232 96 E HN 0.594 nan 8.360 nan 0.000 0.442 97 G N 1.258 110.163 108.800 0.174 0.000 2.582 97 G HA2 -0.236 3.724 3.960 0.000 0.000 0.222 97 G HA3 -0.236 3.724 3.960 0.000 0.000 0.222 97 G C 0.280 175.311 174.900 0.218 0.000 1.311 97 G CA -0.526 44.694 45.100 0.200 0.000 0.915 97 G HN 0.428 nan 8.290 nan 0.000 0.528 98 Q N -0.811 119.070 119.800 0.135 0.000 2.364 98 Q HA 0.048 4.388 4.340 0.000 0.000 0.207 98 Q C 0.757 176.780 176.000 0.038 0.000 0.970 98 Q CA 1.175 56.919 55.803 -0.100 0.000 0.888 98 Q CB 0.164 28.506 28.738 -0.660 0.000 0.951 98 Q HN 0.508 nan 8.270 nan 0.000 0.469 99 W N -0.009 121.450 121.300 0.266 0.000 2.647 99 W HA 0.366 5.026 4.660 0.000 0.000 0.353 99 W C 0.532 176.815 176.519 -0.393 0.000 1.080 99 W CA -0.813 56.547 57.345 0.025 0.000 1.208 99 W CB 1.176 30.614 29.460 -0.037 0.000 1.396 99 W HN -0.227 nan 8.180 nan 0.000 0.573 100 K N 1.281 121.302 120.400 -0.632 0.000 3.012 100 K HA 0.107 4.427 4.320 0.000 0.000 0.207 100 K C -0.735 175.565 176.600 -0.499 0.000 1.130 100 K CA -0.119 55.747 56.287 -0.701 0.000 1.021 100 K CB -0.372 31.379 32.500 -1.248 0.000 0.736 100 K HN 0.133 nan 8.250 nan 0.000 0.448 101 D N 1.019 121.231 120.400 -0.313 0.000 2.662 101 D HA 0.161 4.801 4.640 0.000 0.000 0.233 101 D C 0.456 176.496 176.300 -0.433 0.000 1.129 101 D CA 1.177 54.986 54.000 -0.318 0.000 0.851 101 D CB 0.750 41.421 40.800 -0.215 0.000 1.152 101 D HN 0.480 nan 8.370 nan 0.000 0.507 102 G N 1.469 109.905 108.800 -0.608 0.000 2.601 102 G HA2 0.437 4.397 3.960 0.000 0.000 0.291 102 G HA3 0.437 4.397 3.960 0.000 0.000 0.291 102 G C -1.645 172.766 174.900 -0.816 0.000 1.456 102 G CA -0.797 43.906 45.100 -0.662 0.000 0.804 102 G HN 0.442 nan 8.290 nan 0.000 0.499 103 H N 0.457 119.438 119.070 -0.148 0.000 2.717 103 H HA 0.460 5.016 4.556 0.000 0.000 0.366 103 H C -0.740 174.286 175.328 -0.504 0.000 1.132 103 H CA -0.818 55.076 56.048 -0.256 0.000 1.180 103 H CB 2.280 31.937 29.762 -0.176 0.000 1.678 103 H HN 0.355 nan 8.280 nan 0.000 0.537 104 N N 2.096 120.477 118.700 -0.532 0.000 2.408 104 N HA 0.254 4.994 4.740 0.000 0.000 0.280 104 N C -0.944 174.085 175.510 -0.802 0.000 1.002 104 N CA -0.276 52.447 53.050 -0.546 0.000 0.907 104 N CB 1.438 39.722 38.487 -0.338 0.000 1.161 104 N HN 0.432 nan 8.380 nan 0.000 0.488 105 Y N 0.249 120.288 120.300 -0.435 0.000 2.570 105 Y HA 0.551 5.101 4.550 0.000 0.000 0.345 105 Y C -0.275 175.416 175.900 -0.349 0.000 1.014 105 Y CA -1.234 56.593 58.100 -0.455 0.000 1.063 105 Y CB 1.666 39.705 38.460 -0.702 0.000 1.272 105 Y HN 0.290 nan 8.280 nan 0.000 0.477 106 L N 3.579 124.843 121.223 0.068 0.000 2.356 106 L HA 0.879 5.219 4.340 0.000 0.000 0.277 106 L C -1.167 175.878 176.870 0.292 0.000 0.996 106 L CA -0.866 54.075 54.840 0.170 0.000 0.822 106 L CB 1.441 43.548 42.059 0.079 0.000 1.256 106 L HN 0.472 nan 8.230 nan 0.000 0.413 107 V N 1.484 121.628 119.914 0.384 0.000 2.769 107 V HA 0.972 5.092 4.120 0.000 0.000 0.312 107 V C -0.151 176.216 176.094 0.456 0.000 1.061 107 V CA 0.210 62.734 62.300 0.373 0.000 0.931 107 V CB 1.485 33.517 31.823 0.349 0.000 1.010 107 V HN 0.990 nan 8.190 nan 0.000 0.433 108 T N -0.017 114.732 114.554 0.326 0.000 2.926 108 T HA 0.807 5.157 4.350 0.000 0.000 0.289 108 T C -0.670 173.926 174.700 -0.173 0.000 1.054 108 T CA -0.678 61.459 62.100 0.063 0.000 1.015 108 T CB 1.650 70.316 68.868 -0.336 0.000 1.167 108 T HN 1.646 nan 8.240 nan 0.000 0.526 109 C N 1.441 120.376 119.300 -0.609 0.000 3.178 109 C HA 0.367 4.828 4.460 0.000 0.000 0.428 109 C C 0.204 174.863 174.990 -0.552 0.000 0.967 109 C CA -0.544 57.992 59.018 -0.804 0.000 1.205 109 C CB 0.624 27.326 27.740 -1.730 0.000 1.584 109 C HN 1.025 nan 8.230 nan 0.000 0.591 110 D N 1.776 121.960 120.400 -0.360 0.000 2.264 110 D HA 0.021 4.662 4.640 0.000 0.000 0.208 110 D C 1.277 177.558 176.300 -0.031 0.000 0.966 110 D CA 1.581 55.454 54.000 -0.211 0.000 0.864 110 D CB 0.158 40.855 40.800 -0.171 0.000 0.933 110 D HN 0.837 nan 8.370 nan 0.000 0.499 111 T N -2.349 112.133 114.554 -0.120 0.000 2.940 111 T HA 0.384 4.734 4.350 0.000 0.000 0.288 111 T C 1.065 175.570 174.700 -0.325 0.000 1.033 111 T CA -0.872 61.202 62.100 -0.044 0.000 1.033 111 T CB 2.004 70.812 68.868 -0.100 0.000 1.079 111 T HN -0.209 nan 8.240 nan 0.000 0.496 112 I N 0.941 121.241 120.570 -0.450 0.000 2.439 112 I HA -0.011 4.159 4.170 0.000 0.000 0.251 112 I C 1.093 177.057 176.117 -0.255 0.000 1.139 112 I CA 1.421 62.234 61.300 -0.812 0.000 1.438 112 I CB -0.107 37.265 38.000 -1.047 0.000 1.085 112 I HN 0.850 nan 8.210 nan 0.000 0.427 113 D N -1.274 119.013 120.400 -0.187 0.000 2.501 113 D HA 0.226 4.866 4.640 0.000 0.000 0.224 113 D C 0.990 177.253 176.300 -0.061 0.000 1.202 113 D CA 0.087 54.055 54.000 -0.053 0.000 0.829 113 D CB -0.723 40.035 40.800 -0.069 0.000 1.023 113 D HN 0.239 nan 8.370 nan 0.000 0.499 114 G N 0.430 109.129 108.800 -0.168 0.000 2.514 114 G HA2 0.472 4.432 3.960 0.000 0.000 0.245 114 G HA3 0.472 4.432 3.960 0.000 0.000 0.245 114 G C -0.354 174.495 174.900 -0.085 0.000 1.488 114 G CA -0.283 44.725 45.100 -0.154 0.000 1.063 114 G HN 0.327 nan 8.290 nan 0.000 0.557 115 A N -0.918 121.848 122.820 -0.089 0.000 2.253 115 A HA 0.559 4.879 4.320 0.000 0.000 0.316 115 A C -0.866 176.712 177.584 -0.010 0.000 1.327 115 A CA -0.609 51.434 52.037 0.010 0.000 0.917 115 A CB -0.031 18.973 19.000 0.006 0.000 1.162 115 A HN 0.426 nan 8.150 nan 0.000 0.535 116 W N 2.111 123.372 121.300 -0.065 0.000 2.126 116 W HA 0.382 5.042 4.660 0.000 0.000 0.346 116 W C 1.202 177.700 176.519 -0.036 0.000 1.279 116 W CA 0.428 57.738 57.345 -0.057 0.000 1.259 116 W CB 0.556 29.977 29.460 -0.065 0.000 1.133 116 W HN 0.800 nan 8.180 nan 0.000 0.592 117 S N 0.777 116.596 115.700 0.200 0.000 2.596 117 S HA 0.088 4.558 4.470 0.000 0.000 0.260 117 S C -0.132 174.553 174.600 0.142 0.000 1.336 117 S CA -0.907 57.366 58.200 0.122 0.000 0.993 117 S CB 0.528 63.780 63.200 0.086 0.000 0.923 117 S HN 0.384 nan 8.310 nan 0.000 0.567 118 D N 2.676 123.138 120.400 0.103 0.000 2.423 118 D HA 0.278 4.918 4.640 0.000 0.000 0.238 118 D C -2.008 174.374 176.300 0.137 0.000 1.142 118 D CA -0.914 53.146 54.000 0.100 0.000 0.884 118 D CB 0.170 41.012 40.800 0.071 0.000 1.199 118 D HN 0.415 nan 8.370 nan 0.000 0.438 119 P HA 0.207 nan 4.420 nan 0.000 0.275 119 P C -0.240 177.190 177.300 0.216 0.000 1.227 119 P CA -0.178 63.044 63.100 0.204 0.000 0.781 119 P CB 0.790 32.573 31.700 0.139 0.000 0.906 120 I N 3.157 123.871 120.570 0.240 0.000 2.353 120 I HA 0.185 4.355 4.170 0.000 0.000 0.293 120 I C 0.426 176.715 176.117 0.287 0.000 0.992 120 I CA -0.988 60.463 61.300 0.252 0.000 1.268 120 I CB 0.613 38.763 38.000 0.249 0.000 1.387 120 I HN 0.354 nan 8.210 nan 0.000 0.478 121 Y N 6.635 127.048 120.300 0.187 0.000 2.319 121 Y HA 0.318 4.868 4.550 0.000 0.000 0.328 121 Y C -0.012 175.900 175.900 0.020 0.000 1.133 121 Y CA -0.017 58.138 58.100 0.093 0.000 1.265 121 Y CB 0.865 39.370 38.460 0.075 0.000 1.218 121 Y HN 0.504 nan 8.280 nan 0.000 0.508 122 L N 3.501 124.129 121.223 -0.991 0.000 2.546 122 L HA 0.277 4.617 4.340 0.000 0.000 0.182 122 L C -0.149 176.211 176.870 -0.851 0.000 1.167 122 L CA 0.105 54.542 54.840 -0.672 0.000 0.845 122 L CB -0.118 41.684 42.059 -0.427 0.000 1.134 122 L HN 0.774 nan 8.230 nan 0.000 0.500 123 N N -3.040 115.067 118.700 -0.989 0.000 3.387 123 N HA 0.141 4.881 4.740 0.000 0.000 0.294 123 N C -0.638 174.744 175.510 -0.214 0.000 1.519 123 N CA -0.328 52.445 53.050 -0.462 0.000 0.875 123 N CB 1.341 39.725 38.487 -0.172 0.000 1.657 123 N HN -0.194 nan 8.380 nan 0.000 0.527 124 S N -1.203 114.488 115.700 -0.014 0.000 2.820 124 S HA 0.098 4.568 4.470 0.000 0.000 0.265 124 S C 0.720 175.249 174.600 -0.118 0.000 1.043 124 S CA 0.186 58.379 58.200 -0.011 0.000 1.245 124 S CB -0.252 63.050 63.200 0.171 0.000 1.187 124 S HN 0.699 nan 8.310 nan 0.000 0.673 125 S N 1.340 116.972 115.700 -0.113 0.000 2.555 125 S HA 0.435 4.905 4.470 0.000 0.000 0.230 125 S C 0.960 175.410 174.600 -0.252 0.000 0.978 125 S CA 0.435 58.509 58.200 -0.210 0.000 0.934 125 S CB 0.171 63.306 63.200 -0.109 0.000 0.766 125 S HN 0.658 nan 8.310 nan 0.000 0.533 126 G N 0.535 109.211 108.800 -0.207 0.000 2.361 126 G HA2 0.403 4.363 3.960 0.000 0.000 0.299 126 G HA3 0.403 4.363 3.960 0.000 0.000 0.299 126 G C -0.603 174.148 174.900 -0.249 0.000 1.544 126 G CA -0.768 44.158 45.100 -0.290 0.000 0.860 126 G HN 0.306 nan 8.290 nan 0.000 0.610 127 F N -0.302 119.574 119.950 -0.124 0.000 2.239 127 F HA 0.671 5.198 4.527 0.000 0.000 0.288 127 F C 0.629 176.466 175.800 0.061 0.000 1.225 127 F CA -0.142 57.804 58.000 -0.090 0.000 1.162 127 F CB 0.062 38.960 39.000 -0.170 0.000 1.484 127 F HN 0.427 nan 8.300 nan 0.000 0.512 128 D N -0.178 120.507 120.400 0.474 0.000 2.737 128 D HA -0.115 4.525 4.640 0.000 0.000 0.238 128 D C -2.539 173.833 176.300 0.120 0.000 1.157 128 D CA 0.394 54.597 54.000 0.338 0.000 0.694 128 D CB -1.593 39.450 40.800 0.405 0.000 1.021 128 D HN 0.368 nan 8.370 nan 0.000 0.420 129 P HA 0.317 nan 4.420 nan 0.000 0.278 129 P C -0.454 176.852 177.300 0.011 0.000 1.238 129 P CA -0.264 62.849 63.100 0.021 0.000 0.794 129 P CB 1.767 33.468 31.700 0.002 0.000 0.955 130 S N 1.753 117.404 115.700 -0.081 0.000 2.575 130 S HA 0.486 4.956 4.470 0.000 0.000 0.278 130 S C -1.302 173.240 174.600 -0.096 0.000 1.139 130 S CA -0.587 57.455 58.200 -0.264 0.000 0.954 130 S CB 0.493 63.450 63.200 -0.404 0.000 1.054 130 S HN 0.313 nan 8.310 nan 0.000 0.483 131 L N 4.971 126.247 121.223 0.088 0.000 2.264 131 L HA 0.646 4.986 4.340 0.000 0.000 0.289 131 L C -1.092 175.746 176.870 -0.054 0.000 1.044 131 L CA -0.313 54.526 54.840 -0.003 0.000 0.807 131 L CB 0.706 42.705 42.059 -0.100 0.000 1.192 131 L HN 0.659 nan 8.230 nan 0.000 0.425 132 F N 4.979 124.802 119.950 -0.211 0.000 2.361 132 F HA 0.401 4.928 4.527 0.000 0.000 0.364 132 F C -0.150 175.561 175.800 -0.148 0.000 1.117 132 F CA -0.516 57.400 58.000 -0.140 0.000 1.071 132 F CB 0.238 39.222 39.000 -0.027 0.000 1.188 132 F HN 0.472 nan 8.300 nan 0.000 0.464 133 H N 4.512 123.290 119.070 -0.485 0.000 2.934 133 H HA 0.119 4.675 4.556 0.000 0.000 0.273 133 H C -0.383 174.499 175.328 -0.743 0.000 1.121 133 H CA -0.293 55.459 56.048 -0.494 0.000 1.451 133 H CB 0.480 30.032 29.762 -0.350 0.000 1.469 133 H HN 0.544 nan 8.280 nan 0.000 0.476 134 D N 2.262 122.392 120.400 -0.451 0.000 2.313 134 D HA -0.008 4.632 4.640 0.000 0.000 0.247 134 D C 1.218 177.503 176.300 -0.026 0.000 1.094 134 D CA -0.397 53.436 54.000 -0.277 0.000 0.925 134 D CB 1.134 42.039 40.800 0.175 0.000 1.188 134 D HN 0.420 nan 8.370 nan 0.000 0.430 135 E N 1.241 121.477 120.200 0.060 0.000 2.136 135 E HA -0.232 4.118 4.350 0.000 0.000 0.202 135 E C 0.890 177.531 176.600 0.069 0.000 1.019 135 E CA 1.327 57.770 56.400 0.072 0.000 0.819 135 E CB -0.103 29.652 29.700 0.092 0.000 0.739 135 E HN 0.599 nan 8.360 nan 0.000 0.458 136 D N -0.943 119.516 120.400 0.099 0.000 2.323 136 D HA 0.058 4.698 4.640 0.000 0.000 0.239 136 D C 1.257 177.601 176.300 0.073 0.000 1.129 136 D CA 0.722 54.776 54.000 0.090 0.000 0.865 136 D CB -0.030 40.840 40.800 0.118 0.000 0.913 136 D HN 0.242 nan 8.370 nan 0.000 0.517 137 G N 0.360 109.193 108.800 0.055 0.000 2.225 137 G HA2 -0.310 3.650 3.960 0.000 0.000 0.254 137 G HA3 -0.310 3.650 3.960 0.000 0.000 0.254 137 G C 0.448 175.362 174.900 0.023 0.000 0.988 137 G CA -0.045 45.077 45.100 0.036 0.000 0.625 137 G HN 0.420 nan 8.290 nan 0.000 0.527 138 R N 0.281 120.804 120.500 0.038 0.000 2.679 138 R HA 0.584 4.924 4.340 0.000 0.000 0.269 138 R C -0.051 176.184 176.300 -0.109 0.000 1.076 138 R CA 0.165 56.237 56.100 -0.047 0.000 1.160 138 R CB 0.452 30.749 30.300 -0.005 0.000 1.054 138 R HN 0.248 nan 8.270 nan 0.000 0.507 139 K N 0.921 121.155 120.400 -0.276 0.000 2.318 139 K HA 0.464 4.784 4.320 0.000 0.000 0.249 139 K C -1.347 175.003 176.600 -0.417 0.000 0.942 139 K CA -0.429 55.719 56.287 -0.230 0.000 0.808 139 K CB 1.562 33.999 32.500 -0.105 0.000 1.189 139 K HN 0.388 nan 8.250 nan 0.000 0.428 140 Y N 0.987 121.289 120.300 0.002 0.000 2.421 140 Y HA 0.454 5.004 4.550 0.000 0.000 0.339 140 Y C -1.134 174.772 175.900 0.010 0.000 0.996 140 Y CA -0.992 57.142 58.100 0.057 0.000 1.046 140 Y CB 1.595 40.121 38.460 0.110 0.000 1.226 140 Y HN 0.305 nan 8.280 nan 0.000 0.445 141 L N 5.015 126.322 121.223 0.140 0.000 2.282 141 L HA 0.783 5.123 4.340 0.000 0.000 0.288 141 L C -0.752 176.136 176.870 0.031 0.000 1.033 141 L CA -0.687 54.180 54.840 0.045 0.000 0.807 141 L CB 1.095 43.152 42.059 -0.003 0.000 1.209 141 L HN 0.471 nan 8.230 nan 0.000 0.423 142 V N 3.035 122.935 119.914 -0.023 0.000 2.581 142 V HA 0.797 4.917 4.120 0.000 0.000 0.303 142 V C -0.701 175.360 176.094 -0.056 0.000 1.041 142 V CA -0.582 61.683 62.300 -0.058 0.000 0.907 142 V CB 1.607 33.356 31.823 -0.124 0.000 0.994 142 V HN 0.932 nan 8.190 nan 0.000 0.442 143 N N 2.820 121.500 118.700 -0.033 0.000 2.825 143 N HA 0.478 5.218 4.740 0.000 0.000 0.253 143 N C -0.781 174.722 175.510 -0.013 0.000 1.426 143 N CA -0.894 52.135 53.050 -0.035 0.000 0.851 143 N CB 1.979 40.440 38.487 -0.044 0.000 1.470 143 N HN 0.899 nan 8.380 nan 0.000 0.517 144 M N -0.570 118.989 119.600 -0.068 0.000 2.243 144 M HA 0.380 4.860 4.480 0.000 0.000 0.341 144 M C -0.987 175.308 176.300 -0.008 0.000 1.130 144 M CA -0.001 55.268 55.300 -0.051 0.000 1.162 144 M CB 0.036 32.535 32.600 -0.167 0.000 1.497 144 M HN 0.490 nan 8.290 nan 0.000 0.456 145 Y N 3.784 124.063 120.300 -0.036 0.000 2.353 145 Y HA 0.339 4.889 4.550 0.000 0.000 0.340 145 Y C -1.065 174.828 175.900 -0.011 0.000 0.972 145 Y CA -0.540 57.563 58.100 0.005 0.000 1.157 145 Y CB 0.678 39.201 38.460 0.106 0.000 1.157 145 Y HN 0.812 nan 8.280 nan 0.000 0.495 146 W N 7.482 128.497 121.300 -0.474 0.000 2.272 146 W HA 0.204 4.864 4.660 0.000 0.000 0.318 146 W C -0.996 175.319 176.519 -0.340 0.000 1.255 146 W CA -0.105 56.994 57.345 -0.410 0.000 1.200 146 W CB 1.182 30.415 29.460 -0.377 0.000 1.170 146 W HN 0.523 nan 8.180 nan 0.000 0.549 147 D N 4.719 124.578 120.400 -0.902 0.000 2.471 147 D HA 0.019 4.659 4.640 0.000 0.000 0.245 147 D C 1.199 176.959 176.300 -0.901 0.000 1.116 147 D CA -0.221 53.367 54.000 -0.687 0.000 0.853 147 D CB 0.722 41.261 40.800 -0.434 0.000 1.123 147 D HN 0.557 nan 8.370 nan 0.000 0.540 148 H N 2.612 121.347 119.070 -0.560 0.000 2.551 148 H HA 0.187 4.743 4.556 0.000 0.000 0.266 148 H C -0.045 174.986 175.328 -0.495 0.000 0.964 148 H CA -0.104 55.606 56.048 -0.564 0.000 1.180 148 H CB 0.256 29.553 29.762 -0.776 0.000 1.408 148 H HN 0.121 nan 8.280 nan 0.000 0.563 149 R N 1.710 121.610 120.500 -0.999 0.000 2.537 149 R HA 0.054 4.394 4.340 0.000 0.000 0.280 149 R C 1.896 178.062 176.300 -0.223 0.000 1.058 149 R CA 0.444 56.161 56.100 -0.638 0.000 1.057 149 R CB 1.209 31.142 30.300 -0.612 0.000 0.973 149 R HN 0.166 nan 8.270 nan 0.000 0.438 150 V N -0.779 119.065 119.914 -0.116 0.000 2.594 150 V HA -0.173 3.947 4.120 0.000 0.000 0.253 150 V C 0.974 177.058 176.094 -0.018 0.000 1.069 150 V CA 1.779 64.045 62.300 -0.056 0.000 1.082 150 V CB -0.479 31.329 31.823 -0.025 0.000 0.680 150 V HN 0.816 nan 8.190 nan 0.000 0.469 151 D N -1.208 119.210 120.400 0.030 0.000 2.319 151 D HA 0.098 4.738 4.640 0.000 0.000 0.230 151 D C 0.317 176.458 176.300 -0.266 0.000 1.094 151 D CA 0.082 54.028 54.000 -0.090 0.000 0.856 151 D CB -0.654 40.070 40.800 -0.126 0.000 0.915 151 D HN 0.680 nan 8.370 nan 0.000 0.517 152 H N -1.419 117.594 119.070 -0.095 0.000 2.797 152 H HA 0.382 4.938 4.556 0.000 0.000 0.372 152 H C -1.004 174.287 175.328 -0.061 0.000 1.168 152 H CA -0.981 55.023 56.048 -0.074 0.000 1.163 152 H CB 1.153 30.844 29.762 -0.119 0.000 1.778 152 H HN -0.030 nan 8.280 nan 0.000 0.551 153 H N 2.809 121.888 119.070 0.016 0.000 2.722 153 H HA 0.145 4.701 4.556 0.000 0.000 0.328 153 H C -1.791 173.482 175.328 -0.091 0.000 1.067 153 H CA -2.015 54.024 56.048 -0.016 0.000 1.447 153 H CB 1.093 30.859 29.762 0.007 0.000 1.469 153 H HN 0.420 nan 8.280 nan 0.000 0.544 154 P HA -0.144 nan 4.420 nan 0.000 0.216 154 P C -0.329 176.387 177.300 -0.974 0.000 1.150 154 P CA 1.241 63.653 63.100 -1.146 0.000 0.837 154 P CB 0.097 30.875 31.700 -1.538 0.000 0.786 155 F N -1.224 118.292 119.950 -0.723 0.000 2.566 155 F HA 0.104 4.631 4.527 0.000 0.000 0.349 155 F C 1.469 177.278 175.800 0.015 0.000 1.245 155 F CA -0.448 57.421 58.000 -0.217 0.000 1.169 155 F CB -0.552 38.423 39.000 -0.043 0.000 1.470 155 F HN -0.090 nan 8.300 nan 0.000 0.634 156 Y N 2.228 122.523 120.300 -0.009 0.000 2.632 156 Y HA 0.265 4.816 4.550 0.000 0.000 0.301 156 Y C 1.301 177.241 175.900 0.067 0.000 1.172 156 Y CA 0.670 58.802 58.100 0.054 0.000 1.328 156 Y CB -0.320 38.210 38.460 0.117 0.000 1.016 156 Y HN 0.638 nan 8.280 nan 0.000 0.529 157 G N -0.048 108.839 108.800 0.146 0.000 2.342 157 G HA2 -0.068 3.892 3.960 0.000 0.000 0.220 157 G HA3 -0.068 3.892 3.960 0.000 0.000 0.220 157 G C -1.538 173.434 174.900 0.119 0.000 1.243 157 G CA -0.477 44.655 45.100 0.052 0.000 1.083 157 G HN -0.045 nan 8.290 nan 0.000 0.500 158 I N 0.909 121.529 120.570 0.084 0.000 2.389 158 I HA 0.594 4.764 4.170 0.000 0.000 0.288 158 I C 0.368 176.506 176.117 0.035 0.000 0.999 158 I CA -0.831 60.509 61.300 0.066 0.000 1.129 158 I CB 0.817 38.842 38.000 0.041 0.000 1.288 158 I HN 0.575 nan 8.210 nan 0.000 0.444 159 V N 7.854 127.798 119.914 0.051 0.000 2.532 159 V HA 0.558 4.678 4.120 0.000 0.000 0.295 159 V C -0.877 175.223 176.094 0.009 0.000 1.041 159 V CA -0.557 61.763 62.300 0.034 0.000 0.926 159 V CB 2.298 34.176 31.823 0.093 0.000 0.992 159 V HN 0.574 nan 8.190 nan 0.000 0.457 160 L N 5.811 127.038 121.223 0.006 0.000 2.365 160 L HA 0.698 5.038 4.340 0.000 0.000 0.273 160 L C -0.644 176.295 176.870 0.116 0.000 1.000 160 L CA 0.257 55.089 54.840 -0.013 0.000 0.819 160 L CB 1.759 43.680 42.059 -0.230 0.000 1.284 160 L HN 0.849 nan 8.230 nan 0.000 0.418 161 Q N 2.454 122.350 119.800 0.160 0.000 2.353 161 Q HA 0.295 4.635 4.340 0.000 0.000 0.275 161 Q C -1.531 174.601 176.000 0.219 0.000 1.029 161 Q CA -0.665 55.265 55.803 0.211 0.000 0.848 161 Q CB 2.034 30.857 28.738 0.141 0.000 1.390 161 Q HN 0.731 nan 8.270 nan 0.000 0.401 162 E N 1.763 122.064 120.200 0.169 0.000 2.338 162 E HA 0.049 4.399 4.350 0.000 0.000 0.272 162 E C -1.467 175.131 176.600 -0.004 0.000 1.029 162 E CA -0.098 56.243 56.400 -0.098 0.000 0.872 162 E CB 0.663 30.237 29.700 -0.210 0.000 1.015 162 E HN 0.437 nan 8.360 nan 0.000 0.417 163 Y N 2.874 123.061 120.300 -0.187 0.000 2.326 163 Y HA 0.162 4.712 4.550 0.000 0.000 0.337 163 Y C -0.273 175.572 175.900 -0.091 0.000 1.023 163 Y CA -0.545 57.498 58.100 -0.094 0.000 1.143 163 Y CB 1.444 39.866 38.460 -0.063 0.000 1.183 163 Y HN 0.298 nan 8.280 nan 0.000 0.485 164 S N 5.413 120.781 115.700 -0.552 0.000 2.411 164 S HA 0.268 4.738 4.470 0.000 0.000 0.294 164 S C 0.674 174.825 174.600 -0.748 0.000 1.115 164 S CA -0.661 57.254 58.200 -0.475 0.000 1.071 164 S CB 0.163 63.202 63.200 -0.269 0.000 0.967 164 S HN 0.682 nan 8.310 nan 0.000 0.488 165 V N 5.189 124.845 119.914 -0.430 0.000 2.515 165 V HA -0.112 4.008 4.120 0.000 0.000 0.250 165 V C 2.404 178.436 176.094 -0.104 0.000 1.058 165 V CA 2.104 64.296 62.300 -0.180 0.000 1.064 165 V CB -0.825 31.064 31.823 0.111 0.000 0.675 165 V HN 0.922 nan 8.190 nan 0.000 0.461 166 E N 0.434 120.571 120.200 -0.104 0.000 2.028 166 E HA -0.239 4.111 4.350 0.000 0.000 0.191 166 E C 2.233 178.794 176.600 -0.066 0.000 0.988 166 E CA 1.367 57.732 56.400 -0.057 0.000 0.799 166 E CB -0.124 29.549 29.700 -0.045 0.000 0.755 166 E HN 0.679 nan 8.360 nan 0.000 0.447 167 Q N -0.017 119.718 119.800 -0.109 0.000 2.378 167 Q HA -0.022 4.318 4.340 0.000 0.000 0.205 167 Q C -0.046 175.915 176.000 -0.066 0.000 0.954 167 Q CA 0.659 56.416 55.803 -0.077 0.000 0.901 167 Q CB 0.135 28.828 28.738 -0.075 0.000 0.981 167 Q HN 0.176 nan 8.270 nan 0.000 0.483 168 K N 1.010 121.325 120.400 -0.142 0.000 3.071 168 K HA -0.226 4.094 4.320 0.000 0.000 0.265 168 K C -0.716 175.954 176.600 0.117 0.000 1.060 168 K CA 1.035 57.322 56.287 -0.001 0.000 0.767 168 K CB -1.683 30.888 32.500 0.118 0.000 1.241 168 K HN 0.348 nan 8.250 nan 0.000 0.486 169 K N -0.765 119.620 120.400 -0.025 0.000 2.509 169 K HA 0.565 4.885 4.320 0.000 0.000 0.266 169 K C -0.538 176.112 176.600 0.084 0.000 0.987 169 K CA -1.270 55.089 56.287 0.120 0.000 0.868 169 K CB 1.391 33.940 32.500 0.081 0.000 1.421 169 K HN -0.045 nan 8.250 nan 0.000 0.444 170 L N 1.493 122.819 121.223 0.171 0.000 2.452 170 L HA 0.387 4.727 4.340 0.000 0.000 0.267 170 L C 0.104 177.010 176.870 0.060 0.000 1.188 170 L CA -0.640 54.282 54.840 0.137 0.000 0.821 170 L CB 1.066 43.194 42.059 0.114 0.000 1.102 170 L HN 0.585 nan 8.230 nan 0.000 0.470 171 V N -1.161 118.779 119.914 0.043 0.000 3.130 171 V HA 1.000 5.120 4.120 0.000 0.000 0.310 171 V C 0.051 176.176 176.094 0.051 0.000 1.158 171 V CA -0.238 62.079 62.300 0.028 0.000 1.029 171 V CB 1.078 32.894 31.823 -0.011 0.000 1.057 171 V HN 1.058 nan 8.190 nan 0.000 0.436 172 G N 0.676 109.503 108.800 0.046 0.000 2.856 172 G HA2 -0.159 3.801 3.960 0.000 0.000 0.674 172 G HA3 -0.159 3.801 3.960 0.000 0.000 0.674 172 G C -0.383 174.558 174.900 0.068 0.000 1.519 172 G CA 0.258 45.391 45.100 0.055 0.000 0.940 172 G HN 1.372 nan 8.290 nan 0.000 0.564 173 E N 1.445 121.679 120.200 0.056 0.000 2.324 173 E HA 0.288 4.638 4.350 0.000 0.000 0.271 173 E C -1.532 175.120 176.600 0.088 0.000 1.028 173 E CA -1.288 55.146 56.400 0.057 0.000 0.890 173 E CB 0.635 30.354 29.700 0.032 0.000 1.004 173 E HN 0.342 nan 8.360 nan 0.000 0.431 174 P HA 0.142 nan 4.420 nan 0.000 0.275 174 P C -1.235 176.112 177.300 0.079 0.000 1.228 174 P CA 0.028 63.191 63.100 0.105 0.000 0.786 174 P CB 0.878 32.637 31.700 0.098 0.000 0.927 175 K N 1.784 122.253 120.400 0.114 0.000 2.498 175 K HA 0.447 4.767 4.320 0.000 0.000 0.254 175 K C -0.492 176.147 176.600 0.065 0.000 0.933 175 K CA -0.848 55.500 56.287 0.101 0.000 0.806 175 K CB 1.786 34.407 32.500 0.202 0.000 1.301 175 K HN 0.321 nan 8.250 nan 0.000 0.432 176 I N 5.241 125.816 120.570 0.007 0.000 2.471 176 I HA 0.048 4.218 4.170 0.000 0.000 0.286 176 I C 1.359 177.512 176.117 0.059 0.000 1.079 176 I CA 0.406 61.704 61.300 -0.003 0.000 1.398 176 I CB 0.373 38.346 38.000 -0.046 0.000 1.403 176 I HN 0.717 nan 8.210 nan 0.000 0.530 177 I N 3.119 123.721 120.570 0.052 0.000 3.172 177 I HA 0.280 4.450 4.170 0.000 0.000 0.278 177 I C 0.193 176.419 176.117 0.183 0.000 1.174 177 I CA 0.485 61.845 61.300 0.100 0.000 1.445 177 I CB 0.410 38.398 38.000 -0.020 0.000 1.175 177 I HN 0.251 nan 8.210 nan 0.000 0.447 178 F N 1.854 121.743 119.950 -0.102 0.000 2.565 178 F HA 0.538 5.065 4.527 0.000 0.000 0.313 178 F C 0.446 176.194 175.800 -0.085 0.000 1.091 178 F CA -1.379 56.560 58.000 -0.103 0.000 0.915 178 F CB 1.946 40.824 39.000 -0.204 0.000 1.208 178 F HN -0.240 nan 8.300 nan 0.000 0.453 179 K N 2.651 122.714 120.400 -0.561 0.000 2.348 179 K HA 0.447 4.768 4.320 0.000 0.000 0.194 179 K C 0.643 176.869 176.600 -0.622 0.000 1.052 179 K CA 0.680 56.675 56.287 -0.487 0.000 1.004 179 K CB 0.195 32.471 32.500 -0.373 0.000 0.873 179 K HN 0.924 nan 8.250 nan 0.000 0.523 180 G N 1.436 109.452 108.800 -1.307 0.000 2.592 180 G HA2 -0.222 3.738 3.960 0.000 0.000 0.684 180 G HA3 -0.222 3.738 3.960 0.000 0.000 0.684 180 G C -0.144 174.423 174.900 -0.554 0.000 1.291 180 G CA -0.381 44.201 45.100 -0.864 0.000 0.891 180 G HN 0.175 nan 8.290 nan 0.000 0.544 181 T N -2.660 111.754 114.554 -0.234 0.000 2.884 181 T HA 0.544 4.894 4.350 0.000 0.000 0.277 181 T C 1.439 176.040 174.700 -0.165 0.000 0.976 181 T CA 0.823 62.835 62.100 -0.145 0.000 0.956 181 T CB 1.357 70.191 68.868 -0.058 0.000 1.113 181 T HN 1.229 nan 8.240 nan 0.000 0.554 182 D N 0.004 120.317 120.400 -0.145 0.000 2.354 182 D HA -0.113 4.527 4.640 0.000 0.000 0.216 182 D C 1.746 177.935 176.300 -0.185 0.000 0.970 182 D CA 0.723 54.626 54.000 -0.162 0.000 0.905 182 D CB -0.662 40.057 40.800 -0.134 0.000 0.903 182 D HN 0.529 nan 8.370 nan 0.000 0.508 183 L N -0.769 120.351 121.223 -0.172 0.000 2.201 183 L HA -0.071 4.269 4.340 0.000 0.000 0.212 183 L C 1.325 178.073 176.870 -0.204 0.000 1.105 183 L CA 0.400 55.128 54.840 -0.186 0.000 0.775 183 L CB -0.252 41.718 42.059 -0.149 0.000 0.913 183 L HN -0.018 nan 8.230 nan 0.000 0.440 184 R N -0.974 119.404 120.500 -0.203 0.000 3.724 184 R HA -0.267 4.073 4.340 0.000 0.000 0.526 184 R C 0.830 177.052 176.300 -0.130 0.000 0.241 184 R CA 1.305 57.282 56.100 -0.205 0.000 1.638 184 R CB -1.373 28.618 30.300 -0.516 0.000 0.980 184 R HN 0.306 nan 8.270 nan 0.000 0.575 185 I N -0.719 119.831 120.570 -0.033 0.000 6.697 185 I HA -0.257 3.913 4.170 0.000 0.000 0.126 185 I C 0.027 175.923 176.117 -0.368 0.000 1.764 185 I CA 1.218 62.127 61.300 -0.652 0.000 2.245 185 I CB -2.000 35.627 38.000 -0.623 0.000 3.404 185 I HN 0.453 nan 8.210 nan 0.000 0.228 186 T N 2.814 117.373 114.554 0.008 0.000 2.738 186 T HA 0.397 4.747 4.350 0.000 0.000 0.293 186 T C 0.581 175.462 174.700 0.301 0.000 0.913 186 T CA -0.106 62.076 62.100 0.137 0.000 1.103 186 T CB 0.869 69.805 68.868 0.114 0.000 0.880 186 T HN 0.698 nan 8.240 nan 0.000 0.526 187 E N 1.713 122.071 120.200 0.263 0.000 2.417 187 E HA 0.596 4.946 4.350 0.000 0.000 0.200 187 E C 0.532 177.227 176.600 0.158 0.000 0.791 187 E CA -1.466 55.131 56.400 0.329 0.000 0.911 187 E CB -0.020 30.047 29.700 0.612 0.000 1.936 187 E HN 0.474 nan 8.360 nan 0.000 0.395 188 G N 2.601 111.508 108.800 0.179 0.000 2.359 188 G HA2 -0.182 3.778 3.960 0.000 0.000 0.278 188 G HA3 -0.182 3.778 3.960 0.000 0.000 0.278 188 G C -2.252 172.396 174.900 -0.420 0.000 0.872 188 G CA 0.345 45.321 45.100 -0.208 0.000 1.185 188 G HN 0.329 nan 8.290 nan 0.000 0.474 189 P HA 0.286 nan 4.420 nan 0.000 0.279 189 P C -0.445 176.551 177.300 -0.506 0.000 1.239 189 P CA 0.055 62.971 63.100 -0.307 0.000 0.789 189 P CB 1.178 32.771 31.700 -0.179 0.000 0.933 190 H N 1.986 120.984 119.070 -0.121 0.000 2.782 190 H HA 0.384 4.940 4.556 0.000 0.000 0.347 190 H C -0.315 174.838 175.328 -0.292 0.000 1.038 190 H CA -0.597 55.326 56.048 -0.208 0.000 1.255 190 H CB 1.410 31.147 29.762 -0.041 0.000 1.623 190 H HN 0.312 nan 8.280 nan 0.000 0.525 191 L N 3.699 124.726 121.223 -0.327 0.000 2.307 191 L HA 0.381 4.721 4.340 0.000 0.000 0.282 191 L C -0.859 175.712 176.870 -0.498 0.000 1.051 191 L CA -0.568 53.992 54.840 -0.466 0.000 0.804 191 L CB 0.623 42.147 42.059 -0.891 0.000 1.197 191 L HN 0.484 nan 8.230 nan 0.000 0.431 192 Y N 1.723 122.094 120.300 0.118 0.000 2.492 192 Y HA 0.438 4.988 4.550 0.000 0.000 0.346 192 Y C -0.369 175.781 175.900 0.418 0.000 0.997 192 Y CA -1.118 57.212 58.100 0.384 0.000 1.025 192 Y CB 1.866 40.561 38.460 0.392 0.000 1.263 192 Y HN 0.290 nan 8.280 nan 0.000 0.454 193 K N 3.652 124.453 120.400 0.668 0.000 2.316 193 K HA 0.708 5.028 4.320 0.000 0.000 0.267 193 K C -1.813 175.021 176.600 0.390 0.000 1.025 193 K CA -0.114 56.434 56.287 0.434 0.000 0.896 193 K CB 0.099 32.855 32.500 0.427 0.000 1.124 193 K HN 0.655 nan 8.250 nan 0.000 0.451 194 I N 3.070 123.859 120.570 0.366 0.000 2.752 194 I HA 0.375 4.545 4.170 0.000 0.000 0.295 194 I C 0.197 176.437 176.117 0.206 0.000 1.219 194 I CA -1.140 60.338 61.300 0.296 0.000 1.030 194 I CB 2.157 40.308 38.000 0.251 0.000 1.259 194 I HN 0.887 nan 8.210 nan 0.000 0.423 195 N N 2.222 120.951 118.700 0.048 0.000 2.126 195 N HA -0.187 4.553 4.740 0.000 0.000 0.153 195 N C 0.575 176.014 175.510 -0.118 0.000 0.867 195 N CA 1.400 54.433 53.050 -0.027 0.000 0.900 195 N CB -0.654 37.874 38.487 0.068 0.000 0.957 195 N HN 1.056 nan 8.380 nan 0.000 0.636 196 G N -1.092 107.543 108.800 -0.275 0.000 3.814 196 G HA2 0.418 4.379 3.960 0.000 0.000 0.293 196 G HA3 0.418 4.379 3.960 0.000 0.000 0.293 196 G C -1.351 173.213 174.900 -0.560 0.000 1.243 196 G CA 0.299 45.165 45.100 -0.391 0.000 1.053 196 G HN 0.379 nan 8.290 nan 0.000 0.562 197 Y N -1.136 118.960 120.300 -0.341 0.000 2.553 197 Y HA 0.503 5.053 4.550 0.000 0.000 0.347 197 Y C -0.929 174.646 175.900 -0.541 0.000 1.019 197 Y CA -1.915 55.898 58.100 -0.478 0.000 1.032 197 Y CB 1.622 39.682 38.460 -0.667 0.000 1.284 197 Y HN 0.113 nan 8.280 nan 0.000 0.466 198 Y N 1.697 121.901 120.300 -0.161 0.000 2.341 198 Y HA 0.335 4.885 4.550 0.000 0.000 0.340 198 Y C -0.948 174.863 175.900 -0.148 0.000 0.997 198 Y CA -0.762 57.264 58.100 -0.124 0.000 1.149 198 Y CB 0.469 38.855 38.460 -0.122 0.000 1.171 198 Y HN 0.433 nan 8.280 nan 0.000 0.494 199 Y N 4.450 124.915 120.300 0.275 0.000 2.434 199 Y HA 0.301 4.851 4.550 0.000 0.000 0.341 199 Y C -0.431 175.585 175.900 0.192 0.000 0.965 199 Y CA -0.795 57.441 58.100 0.226 0.000 1.205 199 Y CB 0.798 39.391 38.460 0.223 0.000 1.121 199 Y HN 0.431 nan 8.280 nan 0.000 0.507 200 L N 6.187 127.522 121.223 0.186 0.000 2.268 200 L HA 0.393 4.733 4.340 0.000 0.000 0.289 200 L C -1.024 175.816 176.870 -0.050 0.000 1.064 200 L CA -0.565 54.198 54.840 -0.129 0.000 0.824 200 L CB 0.201 41.821 42.059 -0.731 0.000 1.202 200 L HN 0.558 nan 8.230 nan 0.000 0.433 201 L N 5.808 127.089 121.223 0.096 0.000 2.312 201 L HA 0.783 5.123 4.340 0.000 0.000 0.281 201 L C -0.011 176.868 176.870 0.014 0.000 1.070 201 L CA 0.428 55.336 54.840 0.113 0.000 0.805 201 L CB 1.432 43.668 42.059 0.294 0.000 1.174 201 L HN 0.831 nan 8.230 nan 0.000 0.434 202 T N 2.052 116.607 114.554 0.002 0.000 2.865 202 T HA 0.906 5.256 4.350 0.000 0.000 0.294 202 T C -0.468 174.236 174.700 0.007 0.000 1.119 202 T CA -0.481 61.615 62.100 -0.008 0.000 1.007 202 T CB 1.307 70.222 68.868 0.078 0.000 1.225 202 T HN 0.879 nan 8.240 nan 0.000 0.515 203 A N 0.609 123.444 122.820 0.024 0.000 2.303 203 A HA 0.813 5.133 4.320 0.000 0.000 0.317 203 A C -0.206 177.470 177.584 0.153 0.000 1.149 203 A CA -0.625 51.492 52.037 0.135 0.000 0.822 203 A CB 0.592 19.781 19.000 0.316 0.000 1.131 203 A HN 0.886 nan 8.150 nan 0.000 0.493 204 E N -0.639 119.662 120.200 0.168 0.000 2.412 204 E HA 0.500 4.850 4.350 0.000 0.000 0.279 204 E C 0.263 176.904 176.600 0.068 0.000 0.984 204 E CA -0.230 56.214 56.400 0.072 0.000 0.788 204 E CB 1.898 31.612 29.700 0.023 0.000 1.277 204 E HN 1.560 nan 8.360 nan 0.000 0.455 205 G N 0.831 109.599 108.800 -0.053 0.000 2.179 205 G HA2 -0.109 3.851 3.960 0.000 0.000 0.260 205 G HA3 -0.109 3.851 3.960 0.000 0.000 0.260 205 G C 0.526 175.373 174.900 -0.088 0.000 0.977 205 G CA 0.288 45.334 45.100 -0.088 0.000 0.641 205 G HN 1.327 nan 8.290 nan 0.000 0.533 206 G N -2.038 106.688 108.800 -0.123 0.000 2.722 206 G HA2 0.234 4.194 3.960 0.000 0.000 0.686 206 G HA3 0.234 4.194 3.960 0.000 0.000 0.686 206 G C 0.380 175.057 174.900 -0.371 0.000 1.282 206 G CA 0.722 45.716 45.100 -0.178 0.000 0.817 206 G HN 1.674 nan 8.290 nan 0.000 0.605 207 T N 1.259 115.541 114.554 -0.453 0.000 3.496 207 T HA 0.212 4.562 4.350 0.000 0.000 0.253 207 T C 1.477 176.017 174.700 -0.267 0.000 1.134 207 T CA 1.633 63.327 62.100 -0.677 0.000 0.993 207 T CB -0.441 68.189 68.868 -0.397 0.000 1.018 207 T HN 0.596 nan 8.240 nan 0.000 0.571 208 R N -1.074 119.315 120.500 -0.185 0.000 2.745 208 R HA 0.402 4.742 4.340 0.000 0.000 0.214 208 R C 0.700 176.909 176.300 -0.151 0.000 1.456 208 R CA -0.622 55.358 56.100 -0.201 0.000 0.974 208 R CB 0.090 30.343 30.300 -0.078 0.000 2.210 208 R HN 0.171 nan 8.270 nan 0.000 0.520 209 Y N 0.439 120.797 120.300 0.095 0.000 2.616 209 Y HA 0.006 4.556 4.550 0.000 0.000 0.296 209 Y C 0.879 176.920 175.900 0.235 0.000 1.154 209 Y CA 0.907 59.101 58.100 0.156 0.000 1.325 209 Y CB -0.382 38.146 38.460 0.113 0.000 1.007 209 Y HN 0.445 nan 8.280 nan 0.000 0.542 210 N N -1.458 117.367 118.700 0.207 0.000 2.268 210 N HA -0.019 4.721 4.740 0.000 0.000 0.204 210 N C -0.061 175.500 175.510 0.085 0.000 1.124 210 N CA -0.142 52.924 53.050 0.026 0.000 0.838 210 N CB -0.029 38.345 38.487 -0.190 0.000 0.994 210 N HN 0.386 nan 8.380 nan 0.000 0.489 211 H N 1.119 120.217 119.070 0.047 0.000 3.001 211 H HA 0.255 4.812 4.556 0.000 0.000 0.334 211 H C -0.414 174.942 175.328 0.048 0.000 1.034 211 H CA -0.392 55.680 56.048 0.040 0.000 1.420 211 H CB 0.536 30.332 29.762 0.057 0.000 1.405 211 H HN 0.178 nan 8.280 nan 0.000 0.593 212 A N 3.254 126.170 122.820 0.159 0.000 2.549 212 A HA 0.628 4.948 4.320 0.000 0.000 0.297 212 A C -1.189 176.347 177.584 -0.081 0.000 1.061 212 A CA -0.225 51.803 52.037 -0.015 0.000 0.690 212 A CB 1.384 20.387 19.000 0.005 0.000 1.287 212 A HN 0.823 nan 8.150 nan 0.000 0.402 213 A N 1.077 123.820 122.820 -0.128 0.000 2.301 213 A HA 0.727 5.047 4.320 0.000 0.000 0.298 213 A C 0.156 177.694 177.584 -0.077 0.000 1.185 213 A CA -0.088 51.895 52.037 -0.089 0.000 0.830 213 A CB 0.176 19.114 19.000 -0.103 0.000 1.112 213 A HN 0.844 nan 8.150 nan 0.000 0.508 214 T N 2.199 116.732 114.554 -0.034 0.000 2.887 214 T HA 0.638 4.988 4.350 0.000 0.000 0.288 214 T C -0.741 173.953 174.700 -0.009 0.000 1.021 214 T CA -0.141 61.944 62.100 -0.026 0.000 1.000 214 T CB 1.119 70.014 68.868 0.045 0.000 1.034 214 T HN 0.601 nan 8.240 nan 0.000 0.467 215 I N 1.699 122.267 120.570 -0.003 0.000 2.686 215 I HA 0.769 4.939 4.170 0.000 0.000 0.295 215 I C -1.121 175.103 176.117 0.179 0.000 1.114 215 I CA -0.592 60.760 61.300 0.086 0.000 1.038 215 I CB 1.416 39.488 38.000 0.121 0.000 1.238 215 I HN 0.810 nan 8.210 nan 0.000 0.420 216 A N 6.666 129.592 122.820 0.178 0.000 2.530 216 A HA 0.966 5.286 4.320 0.000 0.000 0.288 216 A C -1.300 176.486 177.584 0.336 0.000 1.172 216 A CA -0.734 51.458 52.037 0.259 0.000 0.733 216 A CB 1.948 20.870 19.000 -0.130 0.000 1.320 216 A HN 0.793 nan 8.150 nan 0.000 0.419 217 R N -0.563 120.087 120.500 0.250 0.000 2.739 217 R HA 0.853 5.193 4.340 0.000 0.000 0.271 217 R C -1.198 174.919 176.300 -0.305 0.000 1.010 217 R CA -0.217 55.785 56.100 -0.163 0.000 0.897 217 R CB 1.606 31.369 30.300 -0.895 0.000 1.236 217 R HN 1.035 nan 8.270 nan 0.000 0.466 218 S N -0.731 114.676 115.700 -0.488 0.000 2.565 218 S HA 0.228 4.699 4.470 0.000 0.000 0.269 218 S C 0.482 175.033 174.600 -0.082 0.000 1.153 218 S CA -0.044 57.889 58.200 -0.445 0.000 0.835 218 S CB 1.725 64.299 63.200 -1.044 0.000 1.122 218 S HN 0.794 nan 8.310 nan 0.000 0.462 219 T N 0.137 114.708 114.554 0.028 0.000 2.857 219 T HA 0.130 4.480 4.350 0.000 0.000 0.266 219 T C 1.122 175.875 174.700 0.089 0.000 1.048 219 T CA 1.253 63.360 62.100 0.011 0.000 1.139 219 T CB -0.341 68.500 68.868 -0.045 0.000 0.874 219 T HN 0.523 nan 8.240 nan 0.000 0.455 220 S N -0.093 115.626 115.700 0.031 0.000 2.632 220 S HA 0.445 4.915 4.470 0.000 0.000 0.271 220 S C 0.836 175.392 174.600 -0.074 0.000 1.260 220 S CA -0.890 57.349 58.200 0.065 0.000 1.010 220 S CB 1.120 64.334 63.200 0.023 0.000 0.965 220 S HN 0.266 nan 8.310 nan 0.000 0.534 221 L N 3.378 124.462 121.223 -0.231 0.000 2.179 221 L HA 0.267 4.607 4.340 0.000 0.000 0.208 221 L C 0.682 177.329 176.870 -0.373 0.000 1.096 221 L CA 1.747 56.171 54.840 -0.693 0.000 0.779 221 L CB -0.632 40.905 42.059 -0.869 0.000 0.922 221 L HN 0.840 nan 8.230 nan 0.000 0.443 222 Y N -0.102 120.136 120.300 -0.104 0.000 2.625 222 Y HA 0.507 5.057 4.550 0.000 0.000 0.285 222 Y C 1.392 177.343 175.900 0.086 0.000 1.168 222 Y CA 0.047 58.156 58.100 0.015 0.000 1.250 222 Y CB -0.414 38.041 38.460 -0.009 0.000 1.130 222 Y HN 0.222 nan 8.280 nan 0.000 0.526 223 G N 1.013 109.888 108.800 0.125 0.000 2.750 223 G HA2 -0.230 3.730 3.960 0.000 0.000 0.228 223 G HA3 -0.230 3.730 3.960 0.000 0.000 0.228 223 G C -2.709 172.211 174.900 0.034 0.000 1.367 223 G CA -1.295 43.846 45.100 0.068 0.000 0.871 223 G HN 0.128 nan 8.290 nan 0.000 0.560 224 P HA 0.489 nan 4.420 nan 0.000 0.282 224 P C -0.656 176.692 177.300 0.081 0.000 1.262 224 P CA -0.213 62.965 63.100 0.131 0.000 0.773 224 P CB 0.279 32.042 31.700 0.106 0.000 0.879 225 Y N 1.367 121.717 120.300 0.083 0.000 2.359 225 Y HA 0.154 4.704 4.550 0.000 0.000 0.330 225 Y C 1.463 177.423 175.900 0.101 0.000 1.143 225 Y CA -0.046 58.068 58.100 0.023 0.000 1.318 225 Y CB 0.613 38.980 38.460 -0.155 0.000 1.234 225 Y HN 0.421 nan 8.280 nan 0.000 0.522 226 E N 1.303 121.624 120.200 0.201 0.000 2.191 226 E HA 0.599 4.949 4.350 0.000 0.000 0.278 226 E C -1.363 175.399 176.600 0.270 0.000 0.972 226 E CA -0.976 55.552 56.400 0.214 0.000 0.804 226 E CB 1.543 31.343 29.700 0.166 0.000 1.110 226 E HN 0.286 nan 8.360 nan 0.000 0.394 227 V N 2.776 122.786 119.914 0.159 0.000 2.649 227 V HA -0.012 4.108 4.120 0.000 0.000 0.292 227 V C 0.791 176.677 176.094 -0.347 0.000 1.055 227 V CA -0.632 61.691 62.300 0.040 0.000 1.023 227 V CB 0.715 32.576 31.823 0.064 0.000 0.992 227 V HN 0.753 nan 8.190 nan 0.000 0.480 228 H N 7.618 126.224 119.070 -0.773 0.000 3.195 228 H HA -0.028 4.528 4.556 0.000 0.000 0.302 228 H C -1.509 173.307 175.328 -0.852 0.000 0.950 228 H CA -0.906 54.303 56.048 -1.399 0.000 1.398 228 H CB 1.290 30.577 29.762 -0.792 0.000 1.377 228 H HN 0.424 nan 8.280 nan 0.000 0.572 229 P HA -0.045 nan 4.420 nan 0.000 0.230 229 P C -0.068 177.173 177.300 -0.099 0.000 1.158 229 P CA 0.903 63.797 63.100 -0.342 0.000 0.769 229 P CB 0.606 32.104 31.700 -0.337 0.000 0.807 230 D N -0.692 119.763 120.400 0.093 0.000 2.720 230 D HA 0.085 4.725 4.640 0.000 0.000 0.285 230 D C 0.065 176.269 176.300 -0.159 0.000 1.359 230 D CA -0.419 53.609 54.000 0.047 0.000 0.818 230 D CB -0.555 40.355 40.800 0.184 0.000 1.108 230 D HN 0.059 nan 8.370 nan 0.000 0.474 231 N N 2.888 121.473 118.700 -0.191 0.000 2.407 231 N HA 0.049 4.789 4.740 0.000 0.000 0.250 231 N C -2.187 173.228 175.510 -0.158 0.000 1.236 231 N CA -0.337 52.553 53.050 -0.267 0.000 0.879 231 N CB 0.716 39.108 38.487 -0.158 0.000 1.088 231 N HN -0.025 nan 8.380 nan 0.000 0.450 232 P HA 0.099 nan 4.420 nan 0.000 0.279 232 P C 0.502 177.619 177.300 -0.306 0.000 1.252 232 P CA -0.541 62.444 63.100 -0.192 0.000 0.811 232 P CB 1.002 32.646 31.700 -0.093 0.000 1.035 233 L N 1.300 122.311 121.223 -0.353 0.000 2.056 233 L HA 0.139 4.479 4.340 0.000 0.000 0.207 233 L C 0.495 177.223 176.870 -0.236 0.000 1.078 233 L CA 1.760 56.364 54.840 -0.394 0.000 0.749 233 L CB -0.484 41.372 42.059 -0.337 0.000 0.901 233 L HN 0.373 nan 8.230 nan 0.000 0.433 234 L N -1.172 119.945 121.223 -0.176 0.000 2.493 234 L HA 0.620 4.960 4.340 0.000 0.000 0.265 234 L C -0.957 175.852 176.870 -0.101 0.000 0.954 234 L CA 0.197 54.943 54.840 -0.155 0.000 0.844 234 L CB 1.926 43.843 42.059 -0.238 0.000 1.302 234 L HN -0.007 nan 8.230 nan 0.000 0.405 235 T N 1.527 116.076 114.554 -0.008 0.000 2.957 235 T HA 0.422 4.772 4.350 0.000 0.000 0.336 235 T C -0.210 174.633 174.700 0.239 0.000 1.462 235 T CA -0.036 62.124 62.100 0.100 0.000 1.073 235 T CB 1.524 70.483 68.868 0.151 0.000 1.319 235 T HN 0.537 nan 8.240 nan 0.000 0.485 236 S N 1.634 117.490 115.700 0.260 0.000 2.539 236 S HA 0.131 4.601 4.470 0.000 0.000 0.221 236 S C 1.019 175.801 174.600 0.303 0.000 0.987 236 S CA -0.481 57.922 58.200 0.338 0.000 0.929 236 S CB -0.069 63.282 63.200 0.252 0.000 0.832 236 S HN 0.746 nan 8.310 nan 0.000 0.492 237 W N 4.225 125.574 121.300 0.082 0.000 2.333 237 W HA -0.047 4.614 4.660 0.000 0.000 0.316 237 W C -1.867 174.563 176.519 -0.147 0.000 1.215 237 W CA 1.390 58.735 57.345 -0.000 0.000 1.278 237 W CB -1.264 28.191 29.460 -0.009 0.000 1.154 237 W HN 0.170 nan 8.180 nan 0.000 0.486 238 P HA -0.040 nan 4.420 nan 0.000 0.247 238 P C -1.121 175.568 177.300 -1.018 0.000 1.225 238 P CA 1.102 63.553 63.100 -1.082 0.000 0.768 238 P CB -0.434 30.653 31.700 -1.021 0.000 1.020 239 Y N -1.159 119.036 120.300 -0.174 0.000 2.748 239 Y HA 0.349 4.899 4.550 0.000 0.000 0.359 239 Y C -1.855 173.992 175.900 -0.089 0.000 1.030 239 Y CA -2.807 55.230 58.100 -0.105 0.000 1.169 239 Y CB 0.692 39.127 38.460 -0.043 0.000 1.127 239 Y HN -0.014 nan 8.280 nan 0.000 0.644 240 P HA 0.007 nan 4.420 nan 0.000 0.233 240 P C 1.025 178.312 177.300 -0.022 0.000 1.167 240 P CA 1.068 64.124 63.100 -0.074 0.000 0.770 240 P CB 0.416 32.025 31.700 -0.150 0.000 0.837 241 R N -1.766 118.742 120.500 0.013 0.000 2.312 241 R HA 0.125 4.465 4.340 0.000 0.000 0.205 241 R C 0.659 176.984 176.300 0.041 0.000 0.904 241 R CA -0.271 55.840 56.100 0.017 0.000 1.052 241 R CB -0.279 30.026 30.300 0.009 0.000 1.014 241 R HN 0.134 nan 8.270 nan 0.000 0.503 242 N N 2.651 121.394 118.700 0.072 0.000 2.412 242 N HA -0.036 4.704 4.740 0.000 0.000 0.258 242 N C -1.562 173.998 175.510 0.084 0.000 1.236 242 N CA -0.873 52.222 53.050 0.075 0.000 0.882 242 N CB 1.193 39.740 38.487 0.100 0.000 1.066 242 N HN -0.018 nan 8.380 nan 0.000 0.465 243 P HA -0.037 nan 4.420 nan 0.000 0.226 243 P C -0.117 177.265 177.300 0.136 0.000 1.153 243 P CA 0.973 64.131 63.100 0.097 0.000 0.777 243 P CB 0.344 32.097 31.700 0.088 0.000 0.794 244 L N 0.344 121.650 121.223 0.137 0.000 2.301 244 L HA 0.332 4.672 4.340 0.000 0.000 0.278 244 L C 0.585 177.566 176.870 0.185 0.000 1.022 244 L CA -0.639 54.300 54.840 0.166 0.000 0.854 244 L CB 0.986 43.142 42.059 0.161 0.000 1.226 244 L HN -0.138 nan 8.230 nan 0.000 0.429 245 Q N 1.881 121.812 119.800 0.217 0.000 2.166 245 Q HA 0.345 4.685 4.340 0.000 0.000 0.226 245 Q C 0.192 176.315 176.000 0.206 0.000 0.989 245 Q CA -0.691 55.268 55.803 0.260 0.000 0.966 245 Q CB 1.119 30.102 28.738 0.408 0.000 1.173 245 Q HN 0.358 nan 8.270 nan 0.000 0.509 246 K N -1.209 119.306 120.400 0.192 0.000 3.016 246 K HA -0.211 4.109 4.320 0.000 0.000 0.262 246 K C -0.438 176.297 176.600 0.225 0.000 1.043 246 K CA 0.622 57.007 56.287 0.164 0.000 0.761 246 K CB -1.931 30.583 32.500 0.023 0.000 1.230 246 K HN 0.605 nan 8.250 nan 0.000 0.485 247 A N 0.923 123.824 122.820 0.135 0.000 2.451 247 A HA 0.580 4.900 4.320 0.000 0.000 0.266 247 A C 0.978 178.409 177.584 -0.256 0.000 1.119 247 A CA 0.852 52.887 52.037 -0.004 0.000 0.786 247 A CB 0.512 19.449 19.000 -0.104 0.000 1.061 247 A HN 0.625 nan 8.150 nan 0.000 0.503 248 G N 0.452 109.021 108.800 -0.385 0.000 2.335 248 G HA2 0.449 4.409 3.960 0.000 0.000 0.291 248 G HA3 0.449 4.409 3.960 0.000 0.000 0.291 248 G C -0.319 174.438 174.900 -0.239 0.000 1.261 248 G CA 0.082 44.775 45.100 -0.678 0.000 0.871 248 G HN 1.683 nan 8.290 nan 0.000 0.491 249 H N -0.824 118.135 119.070 -0.185 0.000 2.702 249 H HA 0.073 4.629 4.556 0.000 0.000 0.328 249 H C 0.379 175.835 175.328 0.213 0.000 1.111 249 H CA 1.273 57.421 56.048 0.168 0.000 1.109 249 H CB -1.047 28.904 29.762 0.315 0.000 1.606 249 H HN 1.486 nan 8.280 nan 0.000 0.399 250 A N 2.050 124.971 122.820 0.168 0.000 2.281 250 A HA 0.806 5.126 4.320 0.000 0.000 0.329 250 A C -0.069 177.700 177.584 0.309 0.000 1.122 250 A CA 0.079 52.257 52.037 0.234 0.000 0.850 250 A CB 1.323 20.411 19.000 0.146 0.000 1.207 250 A HN 0.905 nan 8.150 nan 0.000 0.495 251 S N 0.095 115.961 115.700 0.277 0.000 2.546 251 S HA 0.628 5.098 4.470 0.000 0.000 0.272 251 S C -0.786 173.953 174.600 0.232 0.000 1.140 251 S CA -0.473 57.894 58.200 0.278 0.000 0.920 251 S CB 0.652 63.940 63.200 0.146 0.000 1.083 251 S HN 0.560 nan 8.310 nan 0.000 0.476 252 I N 2.253 122.900 120.570 0.127 0.000 2.474 252 I HA 0.448 4.618 4.170 0.000 0.000 0.287 252 I C -0.370 175.912 176.117 0.275 0.000 1.048 252 I CA -0.693 60.630 61.300 0.039 0.000 1.383 252 I CB 1.453 39.208 38.000 -0.409 0.000 1.412 252 I HN 0.530 nan 8.210 nan 0.000 0.531 253 V N 6.896 127.039 119.914 0.381 0.000 2.483 253 V HA 0.297 4.417 4.120 0.000 0.000 0.297 253 V C -0.709 175.642 176.094 0.429 0.000 1.027 253 V CA -0.402 62.159 62.300 0.434 0.000 0.855 253 V CB 1.516 33.578 31.823 0.398 0.000 0.995 253 V HN 0.733 nan 8.190 nan 0.000 0.424 254 H N 4.920 124.090 119.070 0.167 0.000 2.652 254 H HA 0.504 5.060 4.556 0.000 0.000 0.298 254 H C 0.552 175.875 175.328 -0.009 0.000 1.076 254 H CA -0.095 55.779 56.048 -0.290 0.000 1.360 254 H CB 1.018 30.400 29.762 -0.634 0.000 1.421 254 H HN 0.871 nan 8.280 nan 0.000 0.464 255 T N 1.242 115.954 114.554 0.264 0.000 2.788 255 T HA -0.063 4.287 4.350 0.000 0.000 0.287 255 T C 1.661 176.430 174.700 0.115 0.000 1.007 255 T CA -0.512 61.739 62.100 0.252 0.000 1.005 255 T CB 0.821 69.737 68.868 0.080 0.000 1.012 255 T HN 0.836 nan 8.240 nan 0.000 0.530 256 H N -0.195 118.963 119.070 0.146 0.000 2.491 256 H HA -0.031 4.525 4.556 0.000 0.000 0.290 256 H C 1.201 176.531 175.328 0.004 0.000 1.050 256 H CA 1.403 57.458 56.048 0.012 0.000 1.309 256 H CB -1.176 28.601 29.762 0.025 0.000 1.392 256 H HN 0.736 nan 8.280 nan 0.000 0.554 257 T N -0.641 113.688 114.554 -0.376 0.000 3.406 257 T HA 0.025 4.375 4.350 0.000 0.000 0.244 257 T C 0.106 174.760 174.700 -0.077 0.000 0.949 257 T CA 0.041 62.009 62.100 -0.220 0.000 0.926 257 T CB -0.680 68.023 68.868 -0.275 0.000 1.089 257 T HN 0.177 nan 8.240 nan 0.000 0.604 258 D N 1.712 122.098 120.400 -0.022 0.000 2.829 258 D HA -0.161 4.479 4.640 0.000 0.000 0.219 258 D C -0.434 175.824 176.300 -0.071 0.000 1.239 258 D CA 1.033 55.074 54.000 0.068 0.000 0.685 258 D CB -0.899 39.940 40.800 0.066 0.000 0.950 258 D HN 0.777 nan 8.370 nan 0.000 0.398 259 E N -0.238 119.891 120.200 -0.120 0.000 2.293 259 E HA 0.472 4.822 4.350 0.000 0.000 0.270 259 E C -0.536 175.870 176.600 -0.323 0.000 0.879 259 E CA -0.822 55.469 56.400 -0.182 0.000 0.756 259 E CB 1.067 30.765 29.700 -0.005 0.000 1.208 259 E HN 0.141 nan 8.360 nan 0.000 0.428 260 W N 2.432 123.578 121.300 -0.258 0.000 2.433 260 W HA 0.512 5.172 4.660 0.000 0.000 0.315 260 W C -0.539 175.697 176.519 -0.472 0.000 1.087 260 W CA -0.373 56.853 57.345 -0.198 0.000 1.205 260 W CB 0.790 30.215 29.460 -0.058 0.000 1.288 260 W HN 0.426 nan 8.180 nan 0.000 0.504 261 F N 1.766 121.891 119.950 0.292 0.000 2.691 261 F HA 0.708 5.235 4.527 0.000 0.000 0.334 261 F C -0.842 175.061 175.800 0.170 0.000 1.107 261 F CA -1.370 56.737 58.000 0.180 0.000 0.991 261 F CB 1.331 40.400 39.000 0.114 0.000 1.400 261 F HN -0.041 nan 8.300 nan 0.000 0.503 262 L N 2.187 123.626 121.223 0.360 0.000 2.611 262 L HA 0.565 4.905 4.340 0.000 0.000 0.263 262 L C -1.086 175.944 176.870 0.265 0.000 0.969 262 L CA -0.510 54.477 54.840 0.246 0.000 0.894 262 L CB 1.329 43.479 42.059 0.151 0.000 1.229 262 L HN 0.465 nan 8.230 nan 0.000 0.416 263 V N 1.594 121.635 119.914 0.212 0.000 2.953 263 V HA 0.873 4.993 4.120 0.000 0.000 0.304 263 V C -0.389 175.819 176.094 0.190 0.000 1.073 263 V CA 0.423 62.790 62.300 0.111 0.000 1.064 263 V CB 1.313 33.165 31.823 0.048 0.000 1.047 263 V HN 1.072 nan 8.190 nan 0.000 0.478 264 H N 1.729 120.844 119.070 0.076 0.000 2.987 264 H HA 0.663 5.220 4.556 0.000 0.000 0.316 264 H C -1.026 174.351 175.328 0.082 0.000 1.380 264 H CA -0.865 55.239 56.048 0.093 0.000 1.160 264 H CB 0.746 30.538 29.762 0.050 0.000 1.865 264 H HN 0.967 nan 8.280 nan 0.000 0.521 265 L N -0.857 120.519 121.223 0.254 0.000 2.421 265 L HA 0.862 5.202 4.340 0.000 0.000 0.263 265 L C 0.114 177.158 176.870 0.291 0.000 1.122 265 L CA -0.190 54.767 54.840 0.195 0.000 0.804 265 L CB 1.473 43.661 42.059 0.214 0.000 1.150 265 L HN 0.924 nan 8.230 nan 0.000 0.457 266 T N 0.324 114.996 114.554 0.197 0.000 2.932 266 T HA 0.742 5.092 4.350 0.000 0.000 0.318 266 T C -0.587 174.216 174.700 0.171 0.000 1.265 266 T CA -0.113 62.115 62.100 0.213 0.000 1.036 266 T CB 1.252 70.254 68.868 0.223 0.000 1.209 266 T HN 1.163 nan 8.240 nan 0.000 0.484 267 G N 2.248 111.150 108.800 0.170 0.000 2.415 267 G HA2 0.621 4.581 3.960 0.000 0.000 0.327 267 G HA3 0.621 4.581 3.960 0.000 0.000 0.327 267 G C -0.899 174.133 174.900 0.220 0.000 1.182 267 G CA -0.704 44.498 45.100 0.170 0.000 0.924 267 G HN 0.703 nan 8.290 nan 0.000 0.470 268 R N 2.930 123.592 120.500 0.269 0.000 2.332 268 R HA 0.284 4.624 4.340 0.000 0.000 0.306 268 R C -2.517 174.000 176.300 0.363 0.000 1.117 268 R CA -1.410 54.883 56.100 0.322 0.000 1.108 268 R CB 1.563 32.104 30.300 0.401 0.000 1.126 268 R HN 0.336 nan 8.270 nan 0.000 0.548 269 P HA -0.067 nan 4.420 nan 0.000 0.265 269 P C -0.021 177.366 177.300 0.145 0.000 1.193 269 P CA 0.040 63.286 63.100 0.244 0.000 0.765 269 P CB 0.609 32.417 31.700 0.181 0.000 0.823 270 L N 5.267 126.595 121.223 0.174 0.000 2.489 270 L HA 0.028 4.369 4.340 0.000 0.000 0.285 270 L C -1.598 175.270 176.870 -0.003 0.000 1.259 270 L CA -1.203 53.653 54.840 0.027 0.000 0.828 270 L CB -0.732 41.428 42.059 0.169 0.000 1.094 270 L HN 0.313 nan 8.230 nan 0.000 0.524 271 P HA -0.008 nan 4.420 nan 0.000 0.261 271 P C -0.618 176.687 177.300 0.008 0.000 1.173 271 P CA 0.518 63.600 63.100 -0.030 0.000 0.760 271 P CB 0.317 31.997 31.700 -0.033 0.000 0.783 272 R N 1.424 121.927 120.500 0.004 0.000 2.700 272 R HA 0.153 4.493 4.340 0.000 0.000 0.399 272 R C -0.399 175.898 176.300 -0.005 0.000 1.115 272 R CA -0.357 55.747 56.100 0.007 0.000 1.058 272 R CB 0.398 30.697 30.300 -0.001 0.000 1.389 272 R HN 0.487 nan 8.270 nan 0.000 0.582 273 E N 0.384 120.581 120.200 -0.006 0.000 2.316 273 E HA 0.264 4.614 4.350 0.000 0.000 0.275 273 E C 1.069 177.664 176.600 -0.008 0.000 1.029 273 E CA 0.709 57.104 56.400 -0.008 0.000 0.871 273 E CB 0.913 30.608 29.700 -0.007 0.000 1.022 273 E HN 0.403 nan 8.360 nan 0.000 0.418 274 G N 2.644 111.438 108.800 -0.010 0.000 2.157 274 G HA2 -0.302 3.658 3.960 0.000 0.000 0.248 274 G HA3 -0.302 3.658 3.960 0.000 0.000 0.248 274 G C 0.040 174.934 174.900 -0.011 0.000 0.979 274 G CA -0.159 44.935 45.100 -0.011 0.000 0.650 274 G HN 0.449 nan 8.290 nan 0.000 0.529 275 Q N 0.148 119.942 119.800 -0.010 0.000 2.266 275 Q HA 0.518 4.858 4.340 0.000 0.000 0.261 275 Q C -2.371 173.620 176.000 -0.015 0.000 0.985 275 Q CA -1.944 53.854 55.803 -0.008 0.000 0.873 275 Q CB 1.576 30.315 28.738 0.001 0.000 1.306 275 Q HN 0.144 nan 8.270 nan 0.000 0.447 276 P HA -0.083 nan 4.420 nan 0.000 0.265 276 P C 0.145 177.422 177.300 -0.038 0.000 1.193 276 P CA -0.087 62.999 63.100 -0.022 0.000 0.765 276 P CB 0.560 32.252 31.700 -0.014 0.000 0.823 277 L N 3.877 125.069 121.223 -0.051 0.000 2.017 277 L HA -0.115 4.225 4.340 0.000 0.000 0.208 277 L C 1.550 178.357 176.870 -0.104 0.000 1.073 277 L CA 1.957 56.752 54.840 -0.074 0.000 0.745 277 L CB -0.634 41.380 42.059 -0.075 0.000 0.894 277 L HN 0.399 nan 8.230 nan 0.000 0.432 278 L N -1.640 119.529 121.223 -0.090 0.000 2.664 278 L HA 0.119 4.459 4.340 0.000 0.000 0.233 278 L C 2.019 178.844 176.870 -0.074 0.000 1.113 278 L CA -0.135 54.643 54.840 -0.103 0.000 0.896 278 L CB 0.051 42.055 42.059 -0.091 0.000 1.163 278 L HN 0.204 nan 8.230 nan 0.000 0.497 279 E N 0.582 120.756 120.200 -0.043 0.000 2.007 279 E HA -0.140 4.210 4.350 0.000 0.000 0.194 279 E C 0.717 177.338 176.600 0.034 0.000 0.999 279 E CA 1.398 57.799 56.400 0.002 0.000 0.811 279 E CB 0.195 29.905 29.700 0.017 0.000 0.762 279 E HN 0.236 nan 8.360 nan 0.000 0.450 280 H N -0.686 118.324 119.070 -0.100 0.000 2.744 280 H HA 0.341 4.897 4.556 0.000 0.000 0.339 280 H C -0.055 175.113 175.328 -0.266 0.000 1.004 280 H CA -0.508 55.444 56.048 -0.159 0.000 1.257 280 H CB 0.855 30.549 29.762 -0.114 0.000 1.552 280 H HN 0.057 nan 8.280 nan 0.000 0.522 281 R N 2.731 122.697 120.500 -0.890 0.000 2.323 281 R HA 0.165 4.505 4.340 0.000 0.000 0.198 281 R C 0.581 176.389 176.300 -0.819 0.000 0.988 281 R CA 0.573 56.110 56.100 -0.939 0.000 1.041 281 R CB 0.384 29.890 30.300 -1.322 0.000 0.926 281 R HN 0.858 nan 8.270 nan 0.000 0.476 282 G N -0.366 107.960 108.800 -0.791 0.000 2.408 282 G HA2 -0.173 3.787 3.960 0.000 0.000 0.682 282 G HA3 -0.173 3.787 3.960 0.000 0.000 0.682 282 G C -1.616 173.200 174.900 -0.139 0.000 1.303 282 G CA -1.069 43.878 45.100 -0.255 0.000 0.966 282 G HN 0.109 nan 8.290 nan 0.000 0.560 283 Y N -1.008 119.490 120.300 0.331 0.000 2.364 283 Y HA 0.568 5.118 4.550 0.000 0.000 0.340 283 Y C 0.616 176.709 175.900 0.323 0.000 0.975 283 Y CA -0.758 57.559 58.100 0.361 0.000 1.089 283 Y CB 2.094 40.791 38.460 0.395 0.000 1.192 283 Y HN 0.678 nan 8.280 nan 0.000 0.454 284 C N 5.429 124.988 119.300 0.432 0.000 2.317 284 C HA 0.227 4.687 4.460 0.000 0.000 0.306 284 C C -1.258 173.935 174.990 0.338 0.000 1.087 284 C CA -1.462 57.785 59.018 0.383 0.000 1.529 284 C CB 0.226 28.145 27.740 0.298 0.000 1.880 284 C HN 0.661 nan 8.230 nan 0.000 0.417 285 P HA -0.052 nan 4.420 nan 0.000 0.226 285 P C 0.820 178.243 177.300 0.204 0.000 1.153 285 P CA 1.137 64.394 63.100 0.262 0.000 0.777 285 P CB 0.256 32.176 31.700 0.367 0.000 0.794 286 L N -1.494 119.849 121.223 0.199 0.000 2.629 286 L HA 0.242 4.582 4.340 0.000 0.000 0.230 286 L C 1.604 178.557 176.870 0.139 0.000 1.151 286 L CA 0.199 55.095 54.840 0.093 0.000 0.924 286 L CB -1.089 40.917 42.059 -0.088 0.000 1.137 286 L HN 0.078 nan 8.230 nan 0.000 0.457 287 G N 1.620 110.537 108.800 0.196 0.000 2.596 287 G HA2 -0.330 3.630 3.960 0.000 0.000 0.295 287 G HA3 -0.330 3.630 3.960 0.000 0.000 0.295 287 G C 0.066 175.085 174.900 0.197 0.000 1.240 287 G CA -0.120 45.110 45.100 0.215 0.000 0.985 287 G HN 0.412 nan 8.290 nan 0.000 0.555 288 R N 1.147 121.775 120.500 0.214 0.000 2.346 288 R HA 0.566 4.906 4.340 0.000 0.000 0.311 288 R C -0.011 176.388 176.300 0.165 0.000 0.983 288 R CA -0.366 55.844 56.100 0.183 0.000 0.880 288 R CB 1.502 31.910 30.300 0.180 0.000 1.100 288 R HN 0.650 nan 8.270 nan 0.000 0.453 289 E N 0.578 120.847 120.200 0.114 0.000 2.316 289 E HA 0.348 4.698 4.350 0.000 0.000 0.258 289 E C -0.675 175.914 176.600 -0.018 0.000 0.952 289 E CA -0.864 55.566 56.400 0.051 0.000 0.818 289 E CB 1.961 31.671 29.700 0.017 0.000 1.260 289 E HN 0.337 nan 8.360 nan 0.000 0.416 290 T N 0.728 115.200 114.554 -0.136 0.000 2.829 290 T HA 0.669 5.020 4.350 0.000 0.000 0.282 290 T C -0.770 173.750 174.700 -0.299 0.000 0.990 290 T CA -0.607 61.355 62.100 -0.230 0.000 1.028 290 T CB 1.270 69.944 68.868 -0.324 0.000 0.951 290 T HN 0.506 nan 8.240 nan 0.000 0.460 291 A N 2.710 125.282 122.820 -0.413 0.000 2.556 291 A HA 0.862 5.182 4.320 0.000 0.000 0.294 291 A C -1.357 175.956 177.584 -0.452 0.000 1.091 291 A CA -0.798 50.989 52.037 -0.417 0.000 0.704 291 A CB 1.323 20.099 19.000 -0.373 0.000 1.300 291 A HN 0.896 nan 8.150 nan 0.000 0.406 292 I N 0.363 120.838 120.570 -0.159 0.000 2.509 292 I HA 0.557 4.727 4.170 0.000 0.000 0.293 292 I C -1.199 175.023 176.117 0.175 0.000 1.020 292 I CA -0.515 60.800 61.300 0.025 0.000 1.088 292 I CB 1.851 39.874 38.000 0.038 0.000 1.267 292 I HN 0.615 nan 8.210 nan 0.000 0.430 293 Q N 6.430 126.396 119.800 0.277 0.000 2.365 293 Q HA 0.427 4.767 4.340 0.000 0.000 0.269 293 Q C -0.944 175.224 176.000 0.279 0.000 1.061 293 Q CA -0.728 55.225 55.803 0.250 0.000 0.816 293 Q CB 2.421 31.273 28.738 0.190 0.000 1.325 293 Q HN 0.655 nan 8.270 nan 0.000 0.446 294 R N 1.933 122.554 120.500 0.203 0.000 2.490 294 R HA 0.456 4.796 4.340 0.000 0.000 0.280 294 R C -0.611 175.647 176.300 -0.071 0.000 1.077 294 R CA -0.071 56.019 56.100 -0.017 0.000 1.065 294 R CB 0.444 30.711 30.300 -0.055 0.000 1.003 294 R HN 0.533 nan 8.270 nan 0.000 0.470 295 L N 3.230 124.365 121.223 -0.146 0.000 2.322 295 L HA 0.498 4.838 4.340 0.000 0.000 0.269 295 L C -0.285 176.549 176.870 -0.060 0.000 1.012 295 L CA -0.751 54.029 54.840 -0.100 0.000 0.815 295 L CB 2.003 43.989 42.059 -0.123 0.000 1.295 295 L HN 0.780 nan 8.230 nan 0.000 0.438 296 E N 0.026 120.183 120.200 -0.073 0.000 2.416 296 E HA 0.481 4.831 4.350 0.000 0.000 0.273 296 E C -2.021 174.546 176.600 -0.055 0.000 0.935 296 E CA -0.950 55.468 56.400 0.029 0.000 0.784 296 E CB 1.641 31.366 29.700 0.041 0.000 1.301 296 E HN 0.294 nan 8.360 nan 0.000 0.454 297 W N 0.751 122.049 121.300 -0.004 0.000 2.529 297 W HA 0.493 5.153 4.660 0.000 0.000 0.321 297 W C -0.595 175.961 176.519 0.061 0.000 1.047 297 W CA -0.480 56.866 57.345 0.001 0.000 1.216 297 W CB 2.081 31.478 29.460 -0.105 0.000 1.357 297 W HN 0.323 nan 8.180 nan 0.000 0.489 298 K N 2.313 122.918 120.400 0.341 0.000 2.535 298 K HA 0.237 4.557 4.320 0.000 0.000 0.250 298 K C -0.959 175.839 176.600 0.330 0.000 0.948 298 K CA -0.815 55.615 56.287 0.239 0.000 0.796 298 K CB 2.020 34.532 32.500 0.021 0.000 1.216 298 K HN 0.450 nan 8.250 nan 0.000 0.432 299 D N 1.704 122.251 120.400 0.244 0.000 2.882 299 D HA -0.199 4.441 4.640 0.000 0.000 0.229 299 D C 0.610 177.033 176.300 0.205 0.000 1.167 299 D CA 1.862 56.000 54.000 0.230 0.000 0.759 299 D CB -1.129 39.826 40.800 0.259 0.000 1.088 299 D HN 1.031 nan 8.370 nan 0.000 0.425 300 G N -1.916 107.037 108.800 0.256 0.000 2.160 300 G HA2 -0.258 3.702 3.960 0.000 0.000 0.244 300 G HA3 -0.258 3.702 3.960 0.000 0.000 0.244 300 G C -0.245 174.648 174.900 -0.012 0.000 1.022 300 G CA 0.051 45.283 45.100 0.221 0.000 0.741 300 G HN 0.384 nan 8.290 nan 0.000 0.508 301 W N 0.289 121.672 121.300 0.139 0.000 2.900 301 W HA 0.535 5.195 4.660 0.000 0.000 0.336 301 W C -2.058 174.007 176.519 -0.757 0.000 1.064 301 W CA -2.480 54.641 57.345 -0.373 0.000 1.237 301 W CB 2.089 31.195 29.460 -0.591 0.000 1.391 301 W HN -0.012 nan 8.180 nan 0.000 0.468 302 P HA 0.187 nan 4.420 nan 0.000 0.274 302 P C -1.349 175.598 177.300 -0.589 0.000 1.237 302 P CA 0.176 62.521 63.100 -1.258 0.000 0.793 302 P CB 1.277 32.136 31.700 -1.401 0.000 0.977 303 Y N -1.245 118.828 120.300 -0.379 0.000 2.504 303 Y HA 0.249 4.799 4.550 0.000 0.000 0.344 303 Y C 0.045 175.834 175.900 -0.185 0.000 1.023 303 Y CA -1.123 56.865 58.100 -0.188 0.000 1.020 303 Y CB 2.028 40.428 38.460 -0.100 0.000 1.282 303 Y HN 0.002 nan 8.280 nan 0.000 0.454 304 V N 3.771 123.681 119.914 -0.006 0.000 2.555 304 V HA 0.086 4.206 4.120 0.000 0.000 0.286 304 V C -0.078 176.021 176.094 0.009 0.000 1.044 304 V CA -0.731 61.555 62.300 -0.023 0.000 1.026 304 V CB 0.886 32.677 31.823 -0.052 0.000 0.981 304 V HN 0.522 nan 8.190 nan 0.000 0.480 305 V N 5.056 124.968 119.914 -0.004 0.000 2.434 305 V HA 0.403 4.524 4.120 0.000 0.000 0.281 305 V C 1.015 177.101 176.094 -0.013 0.000 1.005 305 V CA 1.052 63.348 62.300 -0.007 0.000 1.089 305 V CB -0.167 31.651 31.823 -0.009 0.000 0.978 305 V HN 1.347 nan 8.190 nan 0.000 0.474 306 G N 3.903 112.690 108.800 -0.022 0.000 2.884 306 G HA2 0.330 4.290 3.960 0.000 0.000 0.261 306 G HA3 0.330 4.290 3.960 0.000 0.000 0.261 306 G C 0.485 175.350 174.900 -0.059 0.000 1.025 306 G CA -0.231 44.845 45.100 -0.040 0.000 1.228 306 G HN 2.018 nan 8.290 nan 0.000 0.558 307 G N 1.884 110.664 108.800 -0.033 0.000 2.591 307 G HA2 -0.035 3.925 3.960 0.000 0.000 0.278 307 G HA3 -0.035 3.925 3.960 0.000 0.000 0.278 307 G C 0.786 175.679 174.900 -0.012 0.000 1.293 307 G CA 0.780 45.870 45.100 -0.017 0.000 0.930 307 G HN 2.358 nan 8.290 nan 0.000 0.562 308 N N 0.670 119.370 118.700 0.001 0.000 2.238 308 N HA 0.422 5.162 4.740 0.000 0.000 0.222 308 N C 0.642 176.134 175.510 -0.030 0.000 1.133 308 N CA 0.924 53.966 53.050 -0.013 0.000 0.854 308 N CB 0.400 38.887 38.487 0.001 0.000 1.041 308 N HN 1.044 nan 8.380 nan 0.000 0.510 309 G N 0.770 109.450 108.800 -0.199 0.000 2.410 309 G HA2 0.531 4.491 3.960 0.000 0.000 0.330 309 G HA3 0.531 4.491 3.960 0.000 0.000 0.330 309 G C -2.760 172.023 174.900 -0.196 0.000 1.142 309 G CA -1.462 43.456 45.100 -0.304 0.000 0.902 309 G HN 0.035 nan 8.290 nan 0.000 0.491 310 P HA 0.180 nan 4.420 nan 0.000 0.271 310 P C -0.345 176.945 177.300 -0.016 0.000 1.218 310 P CA -0.103 62.982 63.100 -0.024 0.000 0.780 310 P CB 1.270 33.007 31.700 0.061 0.000 0.901 311 S N 1.719 117.437 115.700 0.029 0.000 2.509 311 S HA 0.191 4.661 4.470 0.000 0.000 0.297 311 S C 1.160 175.794 174.600 0.056 0.000 1.118 311 S CA -0.487 57.727 58.200 0.023 0.000 1.074 311 S CB 1.089 64.301 63.200 0.020 0.000 1.038 311 S HN 0.399 nan 8.310 nan 0.000 0.498 312 L N 2.251 123.502 121.223 0.046 0.000 2.275 312 L HA 0.199 4.539 4.340 0.000 0.000 0.215 312 L C 0.650 177.554 176.870 0.056 0.000 1.119 312 L CA 1.680 56.554 54.840 0.058 0.000 0.790 312 L CB -0.096 41.995 42.059 0.053 0.000 0.919 312 L HN 0.737 nan 8.230 nan 0.000 0.443 313 E N -0.552 119.679 120.200 0.051 0.000 2.321 313 E HA 0.477 4.827 4.350 0.000 0.000 0.278 313 E C -1.313 175.321 176.600 0.057 0.000 0.902 313 E CA -0.645 55.785 56.400 0.050 0.000 0.758 313 E CB 1.717 31.441 29.700 0.040 0.000 1.213 313 E HN 0.184 nan 8.360 nan 0.000 0.426 314 I N -0.725 119.888 120.570 0.071 0.000 3.145 314 I HA 0.575 4.745 4.170 0.000 0.000 0.313 314 I C -0.926 175.247 176.117 0.095 0.000 1.122 314 I CA -0.997 60.360 61.300 0.095 0.000 0.987 314 I CB 2.155 40.245 38.000 0.150 0.000 1.236 314 I HN 0.189 nan 8.210 nan 0.000 0.453 315 D N 3.274 123.741 120.400 0.112 0.000 2.316 315 D HA 0.316 4.957 4.640 0.000 0.000 0.245 315 D C 0.370 176.771 176.300 0.168 0.000 1.171 315 D CA 0.241 54.303 54.000 0.104 0.000 0.856 315 D CB 1.669 42.517 40.800 0.079 0.000 1.090 315 D HN 0.869 nan 8.370 nan 0.000 0.476 316 G N 3.176 112.031 108.800 0.091 0.000 2.699 316 G HA2 0.208 4.168 3.960 0.000 0.000 0.246 316 G HA3 0.208 4.168 3.960 0.000 0.000 0.246 316 G C -2.125 172.838 174.900 0.106 0.000 1.219 316 G CA -0.718 44.404 45.100 0.037 0.000 0.866 316 G HN 0.268 nan 8.290 nan 0.000 0.572 317 P HA 0.105 nan 4.420 nan 0.000 0.271 317 P C 0.274 177.583 177.300 0.016 0.000 1.233 317 P CA -0.229 62.939 63.100 0.114 0.000 0.789 317 P CB 0.734 32.415 31.700 -0.032 0.000 0.951 318 S N -0.087 115.620 115.700 0.011 0.000 4.120 318 S HA 0.392 4.862 4.470 0.000 0.000 0.215 318 S C 0.395 174.976 174.600 -0.033 0.000 1.347 318 S CA -0.498 57.695 58.200 -0.012 0.000 0.889 318 S CB -1.567 61.629 63.200 -0.007 0.000 1.585 318 S HN 0.427 nan 8.310 nan 0.000 0.447 319 V N -1.479 118.413 119.914 -0.036 0.000 3.206 319 V HA 0.685 4.805 4.120 0.000 0.000 0.305 319 V C -0.685 175.384 176.094 -0.042 0.000 1.257 319 V CA -1.427 60.861 62.300 -0.021 0.000 1.057 319 V CB 1.344 33.168 31.823 0.003 0.000 1.075 319 V HN 0.372 nan 8.190 nan 0.000 0.443 320 E N 1.107 121.284 120.200 -0.039 0.000 2.360 320 E HA 0.238 4.588 4.350 0.000 0.000 0.269 320 E C -0.031 176.499 176.600 -0.117 0.000 1.022 320 E CA 0.168 56.528 56.400 -0.068 0.000 0.887 320 E CB 0.849 30.514 29.700 -0.059 0.000 0.990 320 E HN 0.847 nan 8.360 nan 0.000 0.426 321 E N 2.655 122.774 120.200 -0.134 0.000 2.324 321 E HA 0.112 4.462 4.350 0.000 0.000 0.271 321 E C -1.075 175.364 176.600 -0.268 0.000 1.028 321 E CA -0.302 55.983 56.400 -0.193 0.000 0.890 321 E CB 0.544 30.148 29.700 -0.160 0.000 1.004 321 E HN 0.211 nan 8.360 nan 0.000 0.431 322 V N 4.944 124.610 119.914 -0.412 0.000 2.250 322 V HA 0.129 4.249 4.120 0.000 0.000 0.268 322 V C -0.404 175.110 176.094 -0.967 0.000 1.043 322 V CA -0.727 61.185 62.300 -0.648 0.000 0.814 322 V CB 0.788 32.162 31.823 -0.749 0.000 1.072 322 V HN 0.598 nan 8.190 nan 0.000 0.451 323 S N 3.409 118.744 115.700 -0.608 0.000 2.531 323 S HA 0.377 4.847 4.470 0.000 0.000 0.279 323 S C -0.253 174.069 174.600 -0.463 0.000 1.305 323 S CA -0.464 57.446 58.200 -0.483 0.000 1.058 323 S CB 0.453 63.521 63.200 -0.220 0.000 0.899 323 S HN 0.644 nan 8.310 nan 0.000 0.493 324 W N 1.620 122.921 121.300 0.002 0.000 2.225 324 W HA 0.437 5.098 4.660 0.000 0.000 0.377 324 W C 0.552 177.096 176.519 0.041 0.000 1.418 324 W CA -1.117 56.249 57.345 0.034 0.000 1.562 324 W CB 0.425 29.927 29.460 0.069 0.000 1.297 324 W HN 0.540 nan 8.180 nan 0.000 0.686 325 E N 0.794 121.191 120.200 0.329 0.000 2.183 325 E HA 0.295 4.646 4.350 0.000 0.000 0.271 325 E C -0.891 175.808 176.600 0.164 0.000 0.919 325 E CA -1.208 55.300 56.400 0.180 0.000 0.781 325 E CB 1.680 31.460 29.700 0.133 0.000 1.140 325 E HN 0.274 nan 8.360 nan 0.000 0.402 326 K N 2.355 122.814 120.400 0.098 0.000 2.441 326 K HA -0.125 4.195 4.320 0.000 0.000 0.273 326 K C -0.182 176.464 176.600 0.076 0.000 1.090 326 K CA 0.488 56.810 56.287 0.057 0.000 1.158 326 K CB 0.234 32.683 32.500 -0.084 0.000 0.847 326 K HN 0.578 nan 8.250 nan 0.000 0.483 327 D N 3.731 124.258 120.400 0.212 0.000 2.427 327 D HA 0.035 4.675 4.640 0.000 0.000 0.224 327 D C -0.635 175.849 176.300 0.307 0.000 1.157 327 D CA -0.099 54.039 54.000 0.230 0.000 0.828 327 D CB -0.345 40.636 40.800 0.303 0.000 0.974 327 D HN 0.460 nan 8.370 nan 0.000 0.498 328 Y N -2.663 117.719 120.300 0.136 0.000 2.581 328 Y HA 0.522 5.072 4.550 0.000 0.000 0.337 328 Y C -1.441 174.511 175.900 0.087 0.000 1.108 328 Y CA -1.634 56.535 58.100 0.115 0.000 1.033 328 Y CB 0.780 39.345 38.460 0.175 0.000 1.318 328 Y HN -0.366 nan 8.280 nan 0.000 0.459 329 D N 3.107 123.583 120.400 0.128 0.000 2.343 329 D HA 0.045 4.685 4.640 0.000 0.000 0.255 329 D C 0.949 177.315 176.300 0.111 0.000 1.187 329 D CA 0.172 54.192 54.000 0.033 0.000 0.875 329 D CB 1.635 42.466 40.800 0.051 0.000 1.136 329 D HN 0.914 nan 8.370 nan 0.000 0.469 330 E N 2.713 122.885 120.200 -0.047 0.000 2.108 330 E HA -0.252 4.098 4.350 0.000 0.000 0.203 330 E C 0.270 176.932 176.600 0.104 0.000 1.022 330 E CA 1.231 57.659 56.400 0.048 0.000 0.823 330 E CB 0.273 29.940 29.700 -0.056 0.000 0.744 330 E HN 0.245 nan 8.360 nan 0.000 0.456 331 K N 1.336 121.755 120.400 0.032 0.000 2.414 331 K HA 0.053 4.373 4.320 0.000 0.000 0.251 331 K C -1.359 175.249 176.600 0.012 0.000 1.037 331 K CA -0.454 55.838 56.287 0.009 0.000 0.980 331 K CB 0.931 33.359 32.500 -0.119 0.000 1.280 331 K HN -0.112 nan 8.250 nan 0.000 0.451 332 D N 3.460 123.895 120.400 0.058 0.000 2.374 332 D HA 0.021 4.661 4.640 0.000 0.000 0.240 332 D C 0.064 176.205 176.300 -0.264 0.000 1.229 332 D CA 0.071 54.020 54.000 -0.085 0.000 0.895 332 D CB 0.967 41.721 40.800 -0.077 0.000 1.046 332 D HN 0.533 nan 8.370 nan 0.000 0.498 333 D N 2.949 123.279 120.400 -0.117 0.000 2.349 333 D HA -0.080 4.560 4.640 0.000 0.000 0.224 333 D C 0.206 176.561 176.300 0.092 0.000 1.029 333 D CA -0.012 53.983 54.000 -0.009 0.000 0.879 333 D CB 0.046 40.853 40.800 0.011 0.000 0.906 333 D HN 0.415 nan 8.370 nan 0.000 0.528 334 F N 0.392 120.437 119.950 0.158 0.000 3.074 334 F HA -0.224 4.303 4.527 0.000 0.000 0.287 334 F C 1.004 176.863 175.800 0.098 0.000 0.932 334 F CA 0.065 58.141 58.000 0.128 0.000 0.995 334 F CB -1.856 37.214 39.000 0.117 0.000 0.966 334 F HN 0.063 nan 8.300 nan 0.000 0.721 335 D N -0.623 119.902 120.400 0.208 0.000 2.346 335 D HA 0.115 4.755 4.640 0.000 0.000 0.206 335 D C 1.804 178.184 176.300 0.134 0.000 1.001 335 D CA 0.972 55.063 54.000 0.151 0.000 0.871 335 D CB 0.116 40.976 40.800 0.101 0.000 0.943 335 D HN 0.450 nan 8.370 nan 0.000 0.518 336 G N 1.638 110.526 108.800 0.147 0.000 2.667 336 G HA2 0.037 3.997 3.960 0.000 0.000 0.250 336 G HA3 0.037 3.997 3.960 0.000 0.000 0.250 336 G C 0.770 175.742 174.900 0.120 0.000 1.212 336 G CA -0.187 44.985 45.100 0.121 0.000 0.874 336 G HN 0.016 nan 8.290 nan 0.000 0.561 337 D N -1.914 118.538 120.400 0.087 0.000 2.354 337 D HA 0.001 4.641 4.640 0.000 0.000 0.209 337 D C 0.973 177.315 176.300 0.070 0.000 1.015 337 D CA 0.783 54.826 54.000 0.071 0.000 0.867 337 D CB -0.069 40.761 40.800 0.050 0.000 0.933 337 D HN 0.413 nan 8.370 nan 0.000 0.520 338 T N -1.768 112.836 114.554 0.082 0.000 2.909 338 T HA 0.551 4.901 4.350 0.000 0.000 0.299 338 T C -0.050 174.729 174.700 0.132 0.000 1.073 338 T CA -0.955 61.195 62.100 0.083 0.000 0.999 338 T CB 1.883 70.785 68.868 0.056 0.000 1.098 338 T HN -0.036 nan 8.240 nan 0.000 0.477 339 L N 3.023 124.332 121.223 0.143 0.000 2.499 339 L HA 0.181 4.521 4.340 0.000 0.000 0.273 339 L C 1.438 178.482 176.870 0.290 0.000 1.195 339 L CA -0.359 54.627 54.840 0.245 0.000 0.882 339 L CB 0.245 42.401 42.059 0.162 0.000 1.133 339 L HN 0.756 nan 8.230 nan 0.000 0.483 340 N N 2.401 121.351 118.700 0.415 0.000 2.293 340 N HA -0.142 4.598 4.740 0.000 0.000 0.253 340 N C 0.997 176.628 175.510 0.203 0.000 1.248 340 N CA 0.142 53.339 53.050 0.244 0.000 0.845 340 N CB 0.454 39.061 38.487 0.201 0.000 1.073 340 N HN 0.744 nan 8.380 nan 0.000 0.464 341 H N 1.769 120.770 119.070 -0.115 0.000 2.563 341 H HA 0.030 4.586 4.556 0.000 0.000 0.272 341 H C 0.377 175.536 175.328 -0.281 0.000 1.005 341 H CA 0.191 56.128 56.048 -0.185 0.000 1.171 341 H CB 0.102 29.730 29.762 -0.223 0.000 1.351 341 H HN 0.564 nan 8.280 nan 0.000 0.602 342 H N 0.236 119.253 119.070 -0.088 0.000 2.562 342 H HA 0.072 4.628 4.556 0.000 0.000 0.267 342 H C -0.222 174.888 175.328 -0.364 0.000 0.959 342 H CA -0.258 55.583 56.048 -0.345 0.000 1.204 342 H CB -0.008 29.453 29.762 -0.502 0.000 1.430 342 H HN 0.260 nan 8.280 nan 0.000 0.545 343 F N 1.973 121.910 119.950 -0.021 0.000 2.456 343 F HA 0.237 4.764 4.527 0.000 0.000 0.358 343 F C 0.871 176.645 175.800 -0.042 0.000 1.095 343 F CA 0.059 58.005 58.000 -0.090 0.000 1.216 343 F CB 0.731 39.677 39.000 -0.089 0.000 1.125 343 F HN -0.069 nan 8.300 nan 0.000 0.549 344 Q N 0.717 120.619 119.800 0.169 0.000 2.445 344 Q HA 0.619 4.959 4.340 0.000 0.000 0.281 344 Q C -0.583 175.581 176.000 0.273 0.000 1.101 344 Q CA -1.039 54.892 55.803 0.214 0.000 0.833 344 Q CB 2.679 31.570 28.738 0.256 0.000 1.416 344 Q HN 0.719 nan 8.270 nan 0.000 0.451 345 T N -2.128 112.633 114.554 0.345 0.000 2.924 345 T HA 0.597 4.947 4.350 0.000 0.000 0.291 345 T C -0.340 174.457 174.700 0.161 0.000 1.045 345 T CA -0.847 61.388 62.100 0.225 0.000 1.015 345 T CB 0.641 69.588 68.868 0.132 0.000 1.103 345 T HN 0.379 nan 8.240 nan 0.000 0.496 346 L N 2.759 123.902 121.223 -0.135 0.000 2.315 346 L HA 0.408 4.748 4.340 0.000 0.000 0.283 346 L C 1.448 178.190 176.870 -0.213 0.000 1.089 346 L CA -0.295 54.297 54.840 -0.413 0.000 0.833 346 L CB 0.127 41.887 42.059 -0.499 0.000 1.170 346 L HN 0.875 nan 8.230 nan 0.000 0.442 347 R N 1.340 121.746 120.500 -0.157 0.000 2.299 347 R HA -0.269 4.071 4.340 0.000 0.000 0.153 347 R C 0.156 176.305 176.300 -0.252 0.000 0.885 347 R CA 2.193 58.217 56.100 -0.127 0.000 1.883 347 R CB -1.264 28.923 30.300 -0.189 0.000 0.864 347 R HN 0.724 nan 8.270 nan 0.000 0.666 348 I N -1.166 119.211 120.570 -0.323 0.000 2.846 348 I HA 0.637 4.807 4.170 0.000 0.000 0.307 348 I C -2.591 173.208 176.117 -0.529 0.000 1.053 348 I CA -2.826 58.133 61.300 -0.568 0.000 1.050 348 I CB 2.209 40.019 38.000 -0.317 0.000 1.239 348 I HN -0.219 nan 8.210 nan 0.000 0.439 349 P HA 0.280 nan 4.420 nan 0.000 0.275 349 P C -1.154 176.095 177.300 -0.086 0.000 1.228 349 P CA -0.097 62.920 63.100 -0.137 0.000 0.786 349 P CB 1.059 32.738 31.700 -0.035 0.000 0.927 350 L N 1.921 123.139 121.223 -0.009 0.000 2.296 350 L HA 0.578 4.918 4.340 0.000 0.000 0.286 350 L C 1.207 178.075 176.870 -0.005 0.000 1.023 350 L CA -0.525 54.304 54.840 -0.019 0.000 0.812 350 L CB 1.613 43.662 42.059 -0.017 0.000 1.223 350 L HN 0.444 nan 8.230 nan 0.000 0.421 351 G N 0.944 109.735 108.800 -0.015 0.000 2.557 351 G HA2 0.228 4.188 3.960 0.000 0.000 0.302 351 G HA3 0.228 4.188 3.960 0.000 0.000 0.302 351 G C 0.550 175.448 174.900 -0.004 0.000 1.311 351 G CA -0.339 44.754 45.100 -0.011 0.000 1.030 351 G HN 0.682 nan 8.290 nan 0.000 0.509 352 E N 0.489 120.684 120.200 -0.008 0.000 2.267 352 E HA -0.165 4.185 4.350 0.000 0.000 0.197 352 E C 1.834 178.419 176.600 -0.025 0.000 0.998 352 E CA 1.385 57.789 56.400 0.006 0.000 0.830 352 E CB -0.008 29.687 29.700 -0.008 0.000 0.751 352 E HN 0.696 nan 8.360 nan 0.000 0.491 353 D N 0.275 120.616 120.400 -0.099 0.000 2.312 353 D HA -0.109 4.531 4.640 0.000 0.000 0.211 353 D C 1.824 177.997 176.300 -0.212 0.000 0.964 353 D CA 0.657 54.510 54.000 -0.246 0.000 0.877 353 D CB -0.101 40.586 40.800 -0.188 0.000 0.924 353 D HN 0.310 nan 8.370 nan 0.000 0.515 354 I N -0.042 120.542 120.570 0.024 0.000 3.366 354 I HA 0.218 4.388 4.170 0.000 0.000 0.267 354 I C 0.891 177.154 176.117 0.244 0.000 1.149 354 I CA 0.073 61.466 61.300 0.154 0.000 1.436 354 I CB 0.277 38.303 38.000 0.042 0.000 1.379 354 I HN -0.060 nan 8.210 nan 0.000 0.460 355 A N 0.478 123.367 122.820 0.115 0.000 2.330 355 A HA 0.741 5.061 4.320 0.000 0.000 0.313 355 A C -0.475 177.131 177.584 0.036 0.000 1.124 355 A CA -0.234 51.825 52.037 0.037 0.000 0.774 355 A CB 1.299 20.270 19.000 -0.048 0.000 1.198 355 A HN 0.100 nan 8.150 nan 0.000 0.465 356 T N 1.928 116.488 114.554 0.009 0.000 3.012 356 T HA 0.462 4.812 4.350 0.000 0.000 0.330 356 T C -0.092 174.584 174.700 -0.039 0.000 1.321 356 T CA -0.404 61.701 62.100 0.010 0.000 1.067 356 T CB 0.682 69.600 68.868 0.084 0.000 1.235 356 T HN 0.441 nan 8.240 nan 0.000 0.479 357 L N 3.317 124.528 121.223 -0.019 0.000 2.607 357 L HA 0.370 4.710 4.340 0.000 0.000 0.228 357 L C 2.237 179.130 176.870 0.037 0.000 1.123 357 L CA 0.115 54.958 54.840 0.005 0.000 0.890 357 L CB 0.046 42.127 42.059 0.037 0.000 1.103 357 L HN 0.553 nan 8.230 nan 0.000 0.468 358 K N 0.221 120.636 120.400 0.026 0.000 2.166 358 K HA 0.135 4.455 4.320 0.000 0.000 0.201 358 K C 2.232 178.841 176.600 0.014 0.000 1.052 358 K CA 0.857 57.161 56.287 0.028 0.000 0.969 358 K CB 0.032 32.547 32.500 0.024 0.000 0.761 358 K HN 0.186 nan 8.250 nan 0.000 0.459 359 A N 1.788 124.608 122.820 0.001 0.000 1.978 359 A HA -0.147 4.173 4.320 0.000 0.000 0.220 359 A C 1.220 178.766 177.584 -0.064 0.000 1.170 359 A CA 1.176 53.193 52.037 -0.034 0.000 0.636 359 A CB -0.150 18.817 19.000 -0.055 0.000 0.810 359 A HN 0.199 nan 8.150 nan 0.000 0.448 360 R N -0.247 120.227 120.500 -0.043 0.000 2.510 360 R HA 0.331 4.671 4.340 0.000 0.000 0.294 360 R C -3.177 173.183 176.300 0.101 0.000 1.056 360 R CA -2.082 54.002 56.100 -0.028 0.000 0.918 360 R CB 1.813 32.017 30.300 -0.158 0.000 1.187 360 R HN 0.014 nan 8.270 nan 0.000 0.437 361 P HA 0.039 nan 4.420 nan 0.000 0.265 361 P C 0.306 177.789 177.300 0.305 0.000 1.193 361 P CA 1.151 64.354 63.100 0.171 0.000 0.765 361 P CB 0.917 32.693 31.700 0.126 0.000 0.823 362 G N 1.585 110.536 108.800 0.251 0.000 2.168 362 G HA2 -0.222 3.738 3.960 0.000 0.000 0.257 362 G HA3 -0.222 3.738 3.960 0.000 0.000 0.257 362 G C -0.232 174.758 174.900 0.149 0.000 0.997 362 G CA 0.279 45.510 45.100 0.218 0.000 0.708 362 G HN 0.761 nan 8.290 nan 0.000 0.520 363 H N -1.980 117.205 119.070 0.191 0.000 2.851 363 H HA 0.610 5.166 4.556 0.000 0.000 0.372 363 H C -0.510 174.793 175.328 -0.040 0.000 1.158 363 H CA -0.878 55.262 56.048 0.153 0.000 1.159 363 H CB 1.710 31.539 29.762 0.112 0.000 1.757 363 H HN 0.250 nan 8.280 nan 0.000 0.546 364 L N 2.786 123.905 121.223 -0.173 0.000 2.255 364 L HA 0.382 4.722 4.340 0.000 0.000 0.289 364 L C -0.345 176.479 176.870 -0.076 0.000 1.046 364 L CA -0.314 54.283 54.840 -0.405 0.000 0.816 364 L CB 0.148 41.525 42.059 -1.137 0.000 1.197 364 L HN 0.455 nan 8.230 nan 0.000 0.427 365 R N 4.566 125.004 120.500 -0.104 0.000 2.347 365 R HA 0.365 4.705 4.340 0.000 0.000 0.304 365 R C -1.228 174.985 176.300 -0.144 0.000 1.072 365 R CA -0.562 55.435 56.100 -0.171 0.000 0.980 365 R CB 0.896 30.982 30.300 -0.358 0.000 0.986 365 R HN 0.466 nan 8.270 nan 0.000 0.448 366 L N 5.322 126.504 121.223 -0.068 0.000 2.345 366 L HA 0.301 4.641 4.340 0.000 0.000 0.274 366 L C -0.975 175.867 176.870 -0.047 0.000 0.999 366 L CA -0.640 54.189 54.840 -0.017 0.000 0.849 366 L CB 0.856 42.977 42.059 0.104 0.000 1.220 366 L HN 0.431 nan 8.230 nan 0.000 0.422 367 Y N 1.995 122.340 120.300 0.076 0.000 2.436 367 Y HA 0.414 4.964 4.550 0.000 0.000 0.336 367 Y C 1.396 177.315 175.900 0.033 0.000 1.049 367 Y CA -0.143 58.015 58.100 0.098 0.000 1.294 367 Y CB 0.775 39.272 38.460 0.061 0.000 1.179 367 Y HN 0.688 nan 8.280 nan 0.000 0.520 368 G N 4.967 113.866 108.800 0.164 0.000 2.313 368 G HA2 0.217 4.177 3.960 0.000 0.000 0.250 368 G HA3 0.217 4.177 3.960 0.000 0.000 0.250 368 G C 0.406 175.334 174.900 0.046 0.000 1.281 368 G CA -0.519 44.616 45.100 0.059 0.000 0.917 368 G HN 0.495 nan 8.290 nan 0.000 0.501 369 R N 1.771 122.263 120.500 -0.015 0.000 2.471 369 R HA 0.354 4.694 4.340 0.000 0.000 0.113 369 R C 0.435 176.737 176.300 0.004 0.000 1.392 369 R CA -0.493 55.603 56.100 -0.005 0.000 1.211 369 R CB -0.360 29.931 30.300 -0.015 0.000 1.102 369 R HN 0.654 nan 8.270 nan 0.000 0.430 370 E N 0.875 121.083 120.200 0.013 0.000 2.280 370 E HA 0.200 4.550 4.350 0.000 0.000 0.261 370 E C -0.135 176.511 176.600 0.075 0.000 1.088 370 E CA -0.410 56.016 56.400 0.044 0.000 0.915 370 E CB 0.956 30.688 29.700 0.054 0.000 1.141 370 E HN 0.444 nan 8.360 nan 0.000 0.433 371 S N 0.542 116.286 115.700 0.073 0.000 2.580 371 S HA -0.034 4.436 4.470 0.000 0.000 0.261 371 S C 1.067 175.638 174.600 -0.048 0.000 1.366 371 S CA -0.253 57.972 58.200 0.041 0.000 0.996 371 S CB 0.267 63.506 63.200 0.065 0.000 0.902 371 S HN 0.539 nan 8.310 nan 0.000 0.566 372 L N 1.209 122.247 121.223 -0.308 0.000 2.450 372 L HA -0.034 4.306 4.340 0.000 0.000 0.224 372 L C 2.572 179.386 176.870 -0.093 0.000 1.149 372 L CA 1.337 55.842 54.840 -0.558 0.000 0.816 372 L CB -0.927 40.217 42.059 -1.526 0.000 0.932 372 L HN 1.019 nan 8.230 nan 0.000 0.449 373 T N -5.491 109.126 114.554 0.104 0.000 3.081 373 T HA 0.025 4.375 4.350 0.000 0.000 0.250 373 T C 0.947 175.728 174.700 0.134 0.000 1.100 373 T CA -0.030 62.191 62.100 0.202 0.000 1.038 373 T CB 0.084 69.089 68.868 0.228 0.000 0.962 373 T HN 0.118 nan 8.240 nan 0.000 0.516 374 S N 1.247 117.011 115.700 0.107 0.000 2.499 374 S HA 0.285 4.755 4.470 0.000 0.000 0.275 374 S C 0.781 175.422 174.600 0.069 0.000 1.257 374 S CA -0.871 57.425 58.200 0.160 0.000 1.050 374 S CB 0.382 63.689 63.200 0.179 0.000 0.937 374 S HN 0.453 nan 8.310 nan 0.000 0.490 375 R N 3.556 124.046 120.500 -0.017 0.000 2.449 375 R HA 0.198 4.538 4.340 0.000 0.000 0.262 375 R C -0.286 175.643 176.300 -0.618 0.000 1.006 375 R CA 0.208 56.105 56.100 -0.339 0.000 1.104 375 R CB -0.059 29.973 30.300 -0.447 0.000 1.206 375 R HN 0.601 nan 8.270 nan 0.000 0.538 376 F N -0.871 119.048 119.950 -0.050 0.000 2.083 376 F HA 0.213 4.740 4.527 0.000 0.000 0.225 376 F C 0.798 176.556 175.800 -0.070 0.000 1.146 376 F CA -0.140 57.827 58.000 -0.056 0.000 1.267 376 F CB 0.246 39.222 39.000 -0.040 0.000 1.684 376 F HN -0.344 nan 8.300 nan 0.000 0.436 377 T N 2.379 117.028 114.554 0.158 0.000 2.912 377 T HA 0.359 4.709 4.350 0.000 0.000 0.326 377 T C -0.801 173.910 174.700 0.019 0.000 1.080 377 T CA -0.537 61.592 62.100 0.047 0.000 1.000 377 T CB 0.713 69.600 68.868 0.031 0.000 1.008 377 T HN 0.079 nan 8.240 nan 0.000 0.473 378 Q N 1.763 121.558 119.800 -0.010 0.000 2.333 378 Q HA 0.566 4.906 4.340 0.000 0.000 0.265 378 Q C -0.322 175.650 176.000 -0.046 0.000 0.989 378 Q CA -0.828 54.963 55.803 -0.020 0.000 0.842 378 Q CB 2.187 30.920 28.738 -0.008 0.000 1.262 378 Q HN 0.746 nan 8.270 nan 0.000 0.451 379 A N 3.796 126.525 122.820 -0.152 0.000 2.981 379 A HA 0.266 4.586 4.320 0.000 0.000 0.280 379 A C -0.985 176.494 177.584 -0.175 0.000 1.743 379 A CA 0.219 52.163 52.037 -0.155 0.000 1.430 379 A CB -0.682 18.223 19.000 -0.157 0.000 1.085 379 A HN 0.518 nan 8.150 nan 0.000 0.597 380 F N 2.100 121.904 119.950 -0.243 0.000 2.617 380 F HA 0.515 5.042 4.527 0.000 0.000 0.325 380 F C -1.183 174.541 175.800 -0.127 0.000 1.179 380 F CA -1.136 56.759 58.000 -0.176 0.000 0.965 380 F CB 1.850 40.803 39.000 -0.077 0.000 1.232 380 F HN 0.054 nan 8.300 nan 0.000 0.461 381 V N 5.576 125.162 119.914 -0.546 0.000 2.409 381 V HA 0.924 5.044 4.120 0.000 0.000 0.291 381 V C -0.504 175.161 176.094 -0.715 0.000 1.020 381 V CA -0.340 61.622 62.300 -0.563 0.000 0.848 381 V CB 1.167 32.645 31.823 -0.575 0.000 0.990 381 V HN 1.027 nan 8.190 nan 0.000 0.430 382 A N 5.551 128.094 122.820 -0.463 0.000 2.572 382 A HA 1.002 5.323 4.320 0.000 0.000 0.295 382 A C -0.801 176.763 177.584 -0.033 0.000 1.072 382 A CA -0.936 50.898 52.037 -0.338 0.000 0.691 382 A CB 2.094 20.748 19.000 -0.578 0.000 1.291 382 A HN 0.969 nan 8.150 nan 0.000 0.404 383 R N 0.463 120.906 120.500 -0.095 0.000 2.854 383 R HA 0.789 5.129 4.340 0.000 0.000 0.271 383 R C -0.654 175.283 176.300 -0.604 0.000 0.996 383 R CA -0.886 55.010 56.100 -0.341 0.000 0.961 383 R CB 0.813 30.772 30.300 -0.569 0.000 1.182 383 R HN 0.605 nan 8.270 nan 0.000 0.479 384 R N 0.612 120.478 120.500 -1.056 0.000 2.623 384 R HA 0.025 4.366 4.340 0.000 0.000 0.271 384 R C -0.590 175.330 176.300 -0.634 0.000 1.043 384 R CA 0.045 55.423 56.100 -1.203 0.000 1.083 384 R CB 0.307 30.009 30.300 -0.998 0.000 0.974 384 R HN 0.478 nan 8.270 nan 0.000 0.436 385 W N 2.555 123.473 121.300 -0.635 0.000 2.381 385 W HA 0.031 4.691 4.660 0.000 0.000 0.321 385 W C 0.836 177.070 176.519 -0.475 0.000 1.407 385 W CA 0.202 57.267 57.345 -0.467 0.000 1.274 385 W CB 0.280 29.664 29.460 -0.126 0.000 1.310 385 W HN 0.599 nan 8.180 nan 0.000 0.551 386 Q N 1.500 121.092 119.800 -0.346 0.000 2.140 386 Q HA 0.088 4.428 4.340 0.000 0.000 0.227 386 Q C -0.631 174.911 176.000 -0.764 0.000 0.798 386 Q CA 0.196 55.700 55.803 -0.498 0.000 0.987 386 Q CB 0.783 29.183 28.738 -0.563 0.000 1.161 386 Q HN 0.531 nan 8.270 nan 0.000 0.480 387 H N -2.508 116.505 119.070 -0.095 0.000 2.961 387 H HA 0.208 4.764 4.556 0.000 0.000 0.371 387 H C -0.455 174.889 175.328 0.027 0.000 1.190 387 H CA -0.721 55.312 56.048 -0.026 0.000 1.138 387 H CB 0.883 30.707 29.762 0.104 0.000 1.816 387 H HN -0.121 nan 8.280 nan 0.000 0.551 388 F N -0.248 119.839 119.950 0.228 0.000 2.407 388 F HA 0.030 4.557 4.527 0.000 0.000 0.299 388 F C 0.314 175.878 175.800 -0.393 0.000 1.097 388 F CA 0.564 58.521 58.000 -0.071 0.000 1.422 388 F CB -0.015 38.852 39.000 -0.223 0.000 1.067 388 F HN 0.444 nan 8.300 nan 0.000 0.539 389 H N -0.820 118.423 119.070 0.289 0.000 2.727 389 H HA 0.496 5.052 4.556 0.000 0.000 0.330 389 H C -0.595 174.767 175.328 0.057 0.000 0.986 389 H CA -1.184 54.901 56.048 0.062 0.000 1.251 389 H CB 0.870 30.660 29.762 0.046 0.000 1.493 389 H HN -0.023 nan 8.280 nan 0.000 0.515 390 F N 0.163 120.035 119.950 -0.130 0.000 2.817 390 F HA 0.641 5.168 4.527 0.000 0.000 0.317 390 F C -2.156 173.477 175.800 -0.279 0.000 1.168 390 F CA -1.272 56.553 58.000 -0.293 0.000 0.911 390 F CB 0.914 39.640 39.000 -0.457 0.000 1.337 390 F HN 0.409 nan 8.300 nan 0.000 0.464 391 V N 1.460 121.317 119.914 -0.094 0.000 2.588 391 V HA 0.929 5.049 4.120 0.000 0.000 0.304 391 V C -1.074 175.058 176.094 0.063 0.000 1.042 391 V CA -0.146 62.079 62.300 -0.124 0.000 0.877 391 V CB 1.208 32.928 31.823 -0.173 0.000 0.996 391 V HN 1.530 nan 8.190 nan 0.000 0.425 392 A N 5.089 127.978 122.820 0.115 0.000 2.380 392 A HA 0.956 5.276 4.320 0.000 0.000 0.315 392 A C -0.639 176.976 177.584 0.052 0.000 1.101 392 A CA -0.581 51.521 52.037 0.108 0.000 0.771 392 A CB 1.791 20.987 19.000 0.325 0.000 1.287 392 A HN 0.946 nan 8.150 nan 0.000 0.436 393 E N -0.339 119.848 120.200 -0.022 0.000 2.390 393 E HA 0.584 4.934 4.350 0.000 0.000 0.280 393 E C -1.594 175.095 176.600 0.148 0.000 0.992 393 E CA -0.357 56.132 56.400 0.148 0.000 0.790 393 E CB 2.286 32.109 29.700 0.205 0.000 1.248 393 E HN 0.699 nan 8.360 nan 0.000 0.447 394 T N 1.612 116.291 114.554 0.208 0.000 2.894 394 T HA 0.428 4.778 4.350 0.000 0.000 0.309 394 T C -1.765 172.862 174.700 -0.122 0.000 1.208 394 T CA -0.694 61.436 62.100 0.049 0.000 1.016 394 T CB 1.438 70.557 68.868 0.418 0.000 1.192 394 T HN 0.377 nan 8.240 nan 0.000 0.491 395 K N 2.760 122.854 120.400 -0.510 0.000 2.244 395 K HA 0.775 5.095 4.320 0.000 0.000 0.260 395 K C -1.668 174.862 176.600 -0.116 0.000 0.951 395 K CA -0.721 55.301 56.287 -0.442 0.000 0.826 395 K CB 1.726 33.813 32.500 -0.689 0.000 1.108 395 K HN 0.402 nan 8.250 nan 0.000 0.433 396 V N 2.733 122.640 119.914 -0.012 0.000 2.733 396 V HA 0.410 4.530 4.120 0.000 0.000 0.306 396 V C -1.550 174.565 176.094 0.036 0.000 1.084 396 V CA -0.416 61.847 62.300 -0.061 0.000 0.905 396 V CB 2.066 33.709 31.823 -0.300 0.000 1.010 396 V HN 0.844 nan 8.190 nan 0.000 0.424 397 S N 6.836 122.523 115.700 -0.021 0.000 2.438 397 S HA 0.792 5.262 4.470 0.000 0.000 0.316 397 S C -1.309 173.271 174.600 -0.033 0.000 1.084 397 S CA -0.373 57.730 58.200 -0.161 0.000 1.107 397 S CB 0.517 63.521 63.200 -0.326 0.000 0.981 397 S HN 0.848 nan 8.310 nan 0.000 0.466 398 F N 5.013 124.831 119.950 -0.220 0.000 2.604 398 F HA 0.559 5.086 4.527 0.000 0.000 0.316 398 F C -0.975 174.726 175.800 -0.166 0.000 1.136 398 F CA -0.738 57.141 58.000 -0.202 0.000 0.989 398 F CB 1.401 40.304 39.000 -0.162 0.000 1.258 398 F HN 0.472 nan 8.300 nan 0.000 0.451 399 R N 6.231 126.264 120.500 -0.779 0.000 2.443 399 R HA 0.338 4.678 4.340 0.000 0.000 0.287 399 R C -2.895 172.883 176.300 -0.869 0.000 1.425 399 R CA -1.723 53.990 56.100 -0.644 0.000 1.300 399 R CB 1.085 31.147 30.300 -0.396 0.000 1.129 399 R HN 0.354 nan 8.270 nan 0.000 0.577 400 P HA 0.114 nan 4.420 nan 0.000 0.275 400 P C 0.493 177.567 177.300 -0.375 0.000 1.228 400 P CA -0.020 62.699 63.100 -0.635 0.000 0.786 400 P CB 1.071 32.640 31.700 -0.220 0.000 0.927 401 T N -2.584 111.677 114.554 -0.489 0.000 3.003 401 T HA 0.210 4.560 4.350 0.000 0.000 0.261 401 T C 0.488 174.402 174.700 -1.310 0.000 1.003 401 T CA 0.019 61.657 62.100 -0.770 0.000 0.917 401 T CB -0.052 68.492 68.868 -0.539 0.000 1.084 401 T HN 0.544 nan 8.240 nan 0.000 0.522 402 T N 0.537 114.608 114.554 -0.805 0.000 2.840 402 T HA 0.463 4.813 4.350 0.000 0.000 0.317 402 T C -0.241 174.396 174.700 -0.105 0.000 1.401 402 T CA -0.794 60.870 62.100 -0.727 0.000 1.028 402 T CB 0.771 69.186 68.868 -0.755 0.000 1.317 402 T HN 0.072 nan 8.240 nan 0.000 0.495 403 F N 1.163 121.296 119.950 0.306 0.000 2.408 403 F HA 0.126 4.653 4.527 0.000 0.000 0.300 403 F C 2.077 177.983 175.800 0.177 0.000 1.090 403 F CA 0.563 58.734 58.000 0.285 0.000 1.427 403 F CB -0.864 38.290 39.000 0.256 0.000 1.070 403 F HN 0.537 nan 8.300 nan 0.000 0.549 404 Q N 0.525 120.364 119.800 0.065 0.000 2.369 404 Q HA -0.029 4.311 4.340 0.000 0.000 0.206 404 Q C 0.220 176.292 176.000 0.120 0.000 0.963 404 Q CA 0.700 56.568 55.803 0.109 0.000 0.894 404 Q CB -0.154 28.563 28.738 -0.034 0.000 0.965 404 Q HN 0.602 nan 8.270 nan 0.000 0.475 405 Q N 0.673 120.556 119.800 0.137 0.000 2.271 405 Q HA 0.333 4.673 4.340 0.000 0.000 0.258 405 Q C -0.716 175.509 176.000 0.374 0.000 0.936 405 Q CA -0.425 55.529 55.803 0.251 0.000 0.909 405 Q CB 1.924 30.807 28.738 0.240 0.000 1.253 405 Q HN 0.042 nan 8.270 nan 0.000 0.440 406 S N 0.649 116.515 115.700 0.276 0.000 2.588 406 S HA 0.929 5.399 4.470 0.000 0.000 0.275 406 S C -1.478 172.946 174.600 -0.295 0.000 1.130 406 S CA -0.706 57.579 58.200 0.142 0.000 0.855 406 S CB 2.141 65.421 63.200 0.135 0.000 1.116 406 S HN 0.693 nan 8.310 nan 0.000 0.472 407 A N 0.390 122.952 122.820 -0.429 0.000 2.540 407 A HA 0.991 5.311 4.320 0.000 0.000 0.297 407 A C 0.000 177.547 177.584 -0.062 0.000 1.056 407 A CA -0.177 51.595 52.037 -0.442 0.000 0.700 407 A CB 0.919 19.194 19.000 -1.209 0.000 1.280 407 A HN 2.290 nan 8.150 nan 0.000 0.398 408 G N -0.523 108.388 108.800 0.185 0.000 2.341 408 G HA2 0.592 4.552 3.960 0.000 0.000 0.299 408 G HA3 0.592 4.552 3.960 0.000 0.000 0.299 408 G C -2.170 172.952 174.900 0.371 0.000 1.274 408 G CA -0.248 45.015 45.100 0.270 0.000 0.853 408 G HN 1.702 nan 8.290 nan 0.000 0.493 409 L N 0.495 121.941 121.223 0.372 0.000 2.295 409 L HA 0.830 5.171 4.340 0.000 0.000 0.285 409 L C -0.601 176.533 176.870 0.441 0.000 1.035 409 L CA -0.717 54.392 54.840 0.448 0.000 0.806 409 L CB 1.644 44.013 42.059 0.515 0.000 1.214 409 L HN 0.463 nan 8.230 nan 0.000 0.426 410 V N 4.924 125.121 119.914 0.472 0.000 2.577 410 V HA 0.526 4.646 4.120 0.000 0.000 0.303 410 V C -0.615 175.813 176.094 0.558 0.000 1.042 410 V CA -0.848 61.710 62.300 0.430 0.000 0.872 410 V CB 1.879 33.849 31.823 0.244 0.000 0.998 410 V HN 0.760 nan 8.190 nan 0.000 0.423 411 N N 3.283 122.315 118.700 0.552 0.000 2.408 411 N HA 0.515 5.256 4.740 0.000 0.000 0.280 411 N C -1.590 174.207 175.510 0.478 0.000 1.002 411 N CA -0.280 53.091 53.050 0.535 0.000 0.907 411 N CB 2.442 41.213 38.487 0.473 0.000 1.161 411 N HN 0.820 nan 8.380 nan 0.000 0.488 412 Y N 2.126 122.593 120.300 0.279 0.000 2.401 412 Y HA 0.163 4.713 4.550 0.000 0.000 0.330 412 Y C -0.732 175.321 175.900 0.255 0.000 1.071 412 Y CA -0.662 57.629 58.100 0.317 0.000 1.049 412 Y CB 1.098 39.781 38.460 0.371 0.000 1.239 412 Y HN 0.539 nan 8.280 nan 0.000 0.437 413 Y N 4.537 124.692 120.300 -0.241 0.000 2.382 413 Y HA 0.268 4.818 4.550 0.000 0.000 0.292 413 Y C -0.098 175.571 175.900 -0.385 0.000 1.151 413 Y CA 1.074 59.047 58.100 -0.210 0.000 1.198 413 Y CB 0.531 38.863 38.460 -0.212 0.000 1.195 413 Y HN 0.763 nan 8.280 nan 0.000 0.530 414 N N -2.641 115.711 118.700 -0.581 0.000 3.277 414 N HA 0.064 4.804 4.740 0.000 0.000 0.278 414 N C 0.340 175.557 175.510 -0.489 0.000 1.544 414 N CA 0.162 52.901 53.050 -0.517 0.000 0.869 414 N CB 0.349 38.758 38.487 -0.129 0.000 1.584 414 N HN -0.017 nan 8.380 nan 0.000 0.564 415 T N -2.881 111.623 114.554 -0.084 0.000 2.897 415 T HA -0.168 4.182 4.350 0.000 0.000 0.271 415 T C 0.780 175.617 174.700 0.228 0.000 1.084 415 T CA 1.491 63.676 62.100 0.142 0.000 1.123 415 T CB -0.376 68.549 68.868 0.095 0.000 0.865 415 T HN 0.604 nan 8.240 nan 0.000 0.496 416 Q N 0.358 120.160 119.800 0.004 0.000 2.217 416 Q HA 0.263 4.603 4.340 0.000 0.000 0.217 416 Q C -0.293 175.490 176.000 -0.362 0.000 0.844 416 Q CA -0.119 55.611 55.803 -0.122 0.000 0.957 416 Q CB 0.608 29.265 28.738 -0.134 0.000 1.127 416 Q HN 0.461 nan 8.270 nan 0.000 0.503 417 N N 1.251 119.749 118.700 -0.337 0.000 2.609 417 N HA 0.210 4.950 4.740 0.000 0.000 0.268 417 N C -1.483 173.906 175.510 -0.203 0.000 1.106 417 N CA -0.143 52.688 53.050 -0.365 0.000 0.823 417 N CB 1.324 39.627 38.487 -0.307 0.000 1.263 417 N HN 0.193 nan 8.380 nan 0.000 0.533 418 W N 0.226 121.454 121.300 -0.121 0.000 3.059 418 W HA 0.475 5.135 4.660 0.000 0.000 0.329 418 W C -1.122 175.415 176.519 0.030 0.000 1.246 418 W CA -0.893 56.427 57.345 -0.041 0.000 1.190 418 W CB 0.488 29.939 29.460 -0.015 0.000 1.423 418 W HN 0.174 nan 8.180 nan 0.000 0.571 419 T N -0.766 114.085 114.554 0.495 0.000 2.906 419 T HA 0.740 5.090 4.350 0.000 0.000 0.295 419 T C -1.123 173.804 174.700 0.378 0.000 1.075 419 T CA -0.669 61.642 62.100 0.352 0.000 1.005 419 T CB 2.522 71.450 68.868 0.100 0.000 1.136 419 T HN 0.724 nan 8.240 nan 0.000 0.498 420 T N 0.867 115.501 114.554 0.135 0.000 3.047 420 T HA 0.520 4.870 4.350 0.000 0.000 0.340 420 T C -2.104 172.419 174.700 -0.294 0.000 1.421 420 T CA -0.705 61.397 62.100 0.004 0.000 1.090 420 T CB 1.489 70.406 68.868 0.082 0.000 1.292 420 T HN 0.886 nan 8.240 nan 0.000 0.480 421 L N 5.354 126.350 121.223 -0.379 0.000 2.282 421 L HA 0.799 5.139 4.340 0.000 0.000 0.288 421 L C -0.473 176.434 176.870 0.062 0.000 1.033 421 L CA 0.134 54.867 54.840 -0.178 0.000 0.807 421 L CB 1.066 43.053 42.059 -0.119 0.000 1.209 421 L HN 0.821 nan 8.230 nan 0.000 0.423 422 Q N 4.132 123.982 119.800 0.083 0.000 2.462 422 Q HA 0.604 4.944 4.340 0.000 0.000 0.285 422 Q C -1.522 174.564 176.000 0.143 0.000 1.035 422 Q CA -0.953 54.921 55.803 0.119 0.000 0.799 422 Q CB 1.837 30.631 28.738 0.094 0.000 1.452 422 Q HN 0.625 nan 8.270 nan 0.000 0.404 423 I N 1.321 121.994 120.570 0.170 0.000 2.385 423 I HA 0.556 4.726 4.170 0.000 0.000 0.294 423 I C 0.076 176.395 176.117 0.337 0.000 0.988 423 I CA -0.248 61.203 61.300 0.251 0.000 1.265 423 I CB 1.814 40.019 38.000 0.342 0.000 1.388 423 I HN 0.825 nan 8.210 nan 0.000 0.480 424 T N 3.778 118.519 114.554 0.311 0.000 2.626 424 T HA 0.425 4.775 4.350 0.000 0.000 0.299 424 T C -2.255 172.652 174.700 0.345 0.000 1.181 424 T CA -0.496 61.821 62.100 0.362 0.000 1.053 424 T CB 1.074 70.135 68.868 0.322 0.000 1.566 424 T HN 0.558 nan 8.240 nan 0.000 0.486 425 W N 1.324 122.723 121.300 0.165 0.000 2.781 425 W HA 0.722 5.382 4.660 0.000 0.000 0.345 425 W C -1.298 175.361 176.519 0.234 0.000 1.085 425 W CA -0.445 56.978 57.345 0.130 0.000 1.198 425 W CB 1.182 30.659 29.460 0.029 0.000 1.423 425 W HN 0.686 nan 8.180 nan 0.000 0.532 426 H N 3.049 121.617 119.070 -0.837 0.000 2.806 426 H HA 0.180 4.736 4.556 0.000 0.000 0.367 426 H C 0.320 174.850 175.328 -1.329 0.000 1.136 426 H CA -0.298 55.312 56.048 -0.730 0.000 1.178 426 H CB 2.316 31.870 29.762 -0.346 0.000 1.718 426 H HN 0.608 nan 8.280 nan 0.000 0.540 427 E N 1.852 121.350 120.200 -1.170 0.000 2.130 427 E HA -0.176 4.174 4.350 0.000 0.000 0.196 427 E C 1.134 177.548 176.600 -0.311 0.000 0.998 427 E CA 1.857 57.865 56.400 -0.652 0.000 0.806 427 E CB 0.414 29.943 29.700 -0.285 0.000 0.738 427 E HN 0.621 nan 8.360 nan 0.000 0.459 428 E N -0.270 119.889 120.200 -0.068 0.000 2.206 428 E HA 0.073 4.423 4.350 0.000 0.000 0.195 428 E C 1.570 178.157 176.600 -0.022 0.000 0.935 428 E CA 0.273 56.685 56.400 0.021 0.000 0.875 428 E CB 0.049 29.807 29.700 0.096 0.000 0.841 428 E HN 0.129 nan 8.360 nan 0.000 0.477 429 K N 1.066 121.472 120.400 0.009 0.000 2.459 429 K HA 0.101 4.421 4.320 0.000 0.000 0.193 429 K C 1.064 177.568 176.600 -0.160 0.000 1.030 429 K CA 0.477 56.690 56.287 -0.122 0.000 1.026 429 K CB 0.486 32.835 32.500 -0.251 0.000 0.809 429 K HN 0.171 nan 8.250 nan 0.000 0.504 430 G N 2.405 111.034 108.800 -0.285 0.000 2.574 430 G HA2 -0.377 3.583 3.960 0.000 0.000 0.286 430 G HA3 -0.377 3.583 3.960 0.000 0.000 0.286 430 G C -0.380 174.345 174.900 -0.292 0.000 1.212 430 G CA 0.059 44.962 45.100 -0.329 0.000 0.979 430 G HN 0.421 nan 8.290 nan 0.000 0.557 431 R N 0.879 121.336 120.500 -0.071 0.000 2.449 431 R HA 0.478 4.818 4.340 0.000 0.000 0.296 431 R C 0.713 177.010 176.300 -0.005 0.000 1.047 431 R CA 0.617 56.727 56.100 0.017 0.000 1.018 431 R CB -0.291 30.024 30.300 0.026 0.000 0.962 431 R HN 0.750 nan 8.270 nan 0.000 0.428 432 I N 0.739 121.334 120.570 0.041 0.000 3.042 432 I HA 0.485 4.655 4.170 0.000 0.000 0.310 432 I C -1.288 174.872 176.117 0.072 0.000 1.117 432 I CA -1.279 60.038 61.300 0.028 0.000 1.003 432 I CB 1.961 39.953 38.000 -0.013 0.000 1.228 432 I HN 0.378 nan 8.210 nan 0.000 0.443 433 L N 2.657 123.899 121.223 0.032 0.000 2.356 433 L HA 0.612 4.952 4.340 0.000 0.000 0.277 433 L C -1.002 175.871 176.870 0.005 0.000 0.996 433 L CA -0.076 54.783 54.840 0.031 0.000 0.822 433 L CB 1.801 43.833 42.059 -0.044 0.000 1.256 433 L HN 0.998 nan 8.230 nan 0.000 0.413 434 E N 4.454 124.681 120.200 0.046 0.000 2.433 434 E HA 0.588 4.938 4.350 0.000 0.000 0.278 434 E C -1.812 174.819 176.600 0.051 0.000 0.976 434 E CA -0.977 55.452 56.400 0.049 0.000 0.793 434 E CB 2.304 32.045 29.700 0.069 0.000 1.311 434 E HN 0.446 nan 8.360 nan 0.000 0.460 435 L N 1.544 122.806 121.223 0.065 0.000 2.331 435 L HA 0.668 5.008 4.340 0.000 0.000 0.275 435 L C -0.267 176.667 176.870 0.107 0.000 1.022 435 L CA -0.876 54.004 54.840 0.066 0.000 0.812 435 L CB 1.706 43.868 42.059 0.173 0.000 1.257 435 L HN 0.666 nan 8.230 nan 0.000 0.435 436 M N 2.332 122.000 119.600 0.114 0.000 2.322 436 M HA 0.429 4.909 4.480 0.000 0.000 0.285 436 M C -1.264 175.141 176.300 0.175 0.000 1.119 436 M CA -0.249 55.152 55.300 0.168 0.000 0.953 436 M CB 2.376 35.116 32.600 0.234 0.000 1.701 436 M HN 0.701 nan 8.290 nan 0.000 0.479 437 T N 0.488 115.076 114.554 0.057 0.000 2.924 437 T HA 0.741 5.092 4.350 0.000 0.000 0.291 437 T C -1.260 173.143 174.700 -0.495 0.000 1.045 437 T CA -0.737 61.294 62.100 -0.114 0.000 1.015 437 T CB 1.776 70.666 68.868 0.036 0.000 1.103 437 T HN 0.830 nan 8.240 nan 0.000 0.496 438 C N 2.494 121.265 119.300 -0.881 0.000 2.446 438 C HA 0.708 5.168 4.460 0.000 0.000 0.329 438 C C -1.466 173.169 174.990 -0.590 0.000 1.166 438 C CA -0.456 57.979 59.018 -0.972 0.000 1.341 438 C CB 0.285 26.855 27.740 -1.951 0.000 1.970 438 C HN 1.023 nan 8.230 nan 0.000 0.452 439 D N 3.226 123.447 120.400 -0.298 0.000 2.505 439 D HA 0.333 4.973 4.640 0.000 0.000 0.250 439 D C -0.071 176.230 176.300 0.002 0.000 1.164 439 D CA -0.032 53.914 54.000 -0.090 0.000 0.870 439 D CB 0.384 41.211 40.800 0.044 0.000 1.160 439 D HN 0.796 nan 8.370 nan 0.000 0.549 440 H N 3.290 122.264 119.070 -0.160 0.000 2.506 440 H HA -0.221 4.335 4.556 0.000 0.000 0.323 440 H C 1.318 176.573 175.328 -0.123 0.000 1.076 440 H CA 0.675 56.636 56.048 -0.146 0.000 1.108 440 H CB -0.882 28.786 29.762 -0.156 0.000 1.569 440 H HN 0.442 nan 8.280 nan 0.000 0.399 441 L N -2.449 118.714 121.223 -0.100 0.000 5.198 441 L HA -0.263 4.077 4.340 0.000 0.000 0.414 441 L C -0.063 176.761 176.870 -0.078 0.000 0.922 441 L CA 1.577 56.372 54.840 -0.074 0.000 1.585 441 L CB -0.783 41.269 42.059 -0.013 0.000 1.671 441 L HN 0.273 nan 8.230 nan 0.000 0.621 442 V N 0.903 120.771 119.914 -0.077 0.000 2.488 442 V HA 0.387 4.507 4.120 0.000 0.000 0.277 442 V C 0.590 176.616 176.094 -0.115 0.000 1.046 442 V CA -0.193 62.068 62.300 -0.065 0.000 0.986 442 V CB 1.341 33.144 31.823 -0.034 0.000 0.989 442 V HN 0.027 nan 8.190 nan 0.000 0.475 443 V N 4.284 124.147 119.914 -0.085 0.000 2.435 443 V HA 0.470 4.590 4.120 0.000 0.000 0.290 443 V C -0.436 175.632 176.094 -0.044 0.000 1.030 443 V CA -0.394 61.847 62.300 -0.098 0.000 0.881 443 V CB 1.946 33.745 31.823 -0.041 0.000 0.983 443 V HN 0.958 nan 8.190 nan 0.000 0.445 444 D N 2.909 123.286 120.400 -0.037 0.000 2.646 444 D HA 0.428 5.068 4.640 0.000 0.000 0.245 444 D C -0.659 175.669 176.300 0.048 0.000 1.099 444 D CA -0.414 53.592 54.000 0.010 0.000 0.849 444 D CB 2.003 42.812 40.800 0.016 0.000 1.448 444 D HN 0.513 nan 8.370 nan 0.000 0.489 445 Q N 3.878 123.709 119.800 0.052 0.000 2.506 445 Q HA 0.281 4.621 4.340 0.000 0.000 0.242 445 Q C -1.785 174.251 176.000 0.060 0.000 1.060 445 Q CA -1.680 54.165 55.803 0.070 0.000 0.826 445 Q CB 1.868 30.644 28.738 0.063 0.000 1.169 445 Q HN 0.264 nan 8.270 nan 0.000 0.521 446 P HA -0.148 nan 4.420 nan 0.000 0.223 446 P C 0.239 177.560 177.300 0.035 0.000 1.144 446 P CA 0.940 64.070 63.100 0.049 0.000 0.783 446 P CB 0.349 32.087 31.700 0.063 0.000 0.771 447 L N -1.520 119.730 121.223 0.045 0.000 2.965 447 L HA 0.213 4.553 4.340 0.000 0.000 0.254 447 L C 0.658 177.534 176.870 0.011 0.000 1.220 447 L CA -0.410 54.447 54.840 0.029 0.000 1.023 447 L CB -0.677 41.404 42.059 0.038 0.000 1.355 447 L HN -0.211 nan 8.230 nan 0.000 0.545 448 R N -0.019 120.489 120.500 0.014 0.000 2.494 448 R HA 0.234 4.574 4.340 0.000 0.000 0.291 448 R C 1.461 177.753 176.300 -0.013 0.000 0.953 448 R CA 1.082 57.185 56.100 0.004 0.000 1.098 448 R CB -0.076 30.231 30.300 0.011 0.000 0.911 448 R HN 0.450 nan 8.270 nan 0.000 0.407 449 G N 3.203 111.981 108.800 -0.036 0.000 2.396 449 G HA2 -0.401 3.559 3.960 0.000 0.000 0.242 449 G HA3 -0.401 3.559 3.960 0.000 0.000 0.242 449 G C 0.395 175.258 174.900 -0.062 0.000 1.069 449 G CA 0.534 45.603 45.100 -0.051 0.000 0.633 449 G HN 0.661 nan 8.290 nan 0.000 0.517 450 R N 0.895 121.370 120.500 -0.041 0.000 3.335 450 R HA 0.637 4.978 4.340 0.000 0.000 0.337 450 R C -0.297 175.984 176.300 -0.032 0.000 1.283 450 R CA -0.408 55.674 56.100 -0.030 0.000 1.246 450 R CB 0.284 30.580 30.300 -0.007 0.000 1.464 450 R HN 0.340 nan 8.270 nan 0.000 0.607 451 E N 0.921 121.081 120.200 -0.066 0.000 2.349 451 E HA 0.181 4.531 4.350 0.000 0.000 0.265 451 E C -0.017 176.545 176.600 -0.063 0.000 1.064 451 E CA -0.533 55.829 56.400 -0.063 0.000 0.886 451 E CB 0.892 30.539 29.700 -0.089 0.000 1.036 451 E HN 0.213 nan 8.360 nan 0.000 0.413 452 I N 2.900 123.427 120.570 -0.071 0.000 2.329 452 I HA 0.046 4.216 4.170 0.000 0.000 0.295 452 I C -0.234 175.869 176.117 -0.023 0.000 1.109 452 I CA -0.275 60.971 61.300 -0.090 0.000 1.297 452 I CB -0.339 37.470 38.000 -0.318 0.000 1.433 452 I HN 0.239 nan 8.210 nan 0.000 0.509 453 V N 7.810 127.728 119.914 0.006 0.000 2.617 453 V HA -0.015 4.105 4.120 0.000 0.000 0.304 453 V C 0.572 176.704 176.094 0.064 0.000 1.040 453 V CA -0.072 62.234 62.300 0.011 0.000 1.149 453 V CB 1.101 32.924 31.823 -0.001 0.000 0.914 453 V HN 0.405 nan 8.190 nan 0.000 0.487 454 V N 7.869 127.774 119.914 -0.015 0.000 2.398 454 V HA 0.342 4.462 4.120 0.000 0.000 0.286 454 V C -2.137 173.839 176.094 -0.195 0.000 1.026 454 V CA -1.832 60.368 62.300 -0.167 0.000 0.868 454 V CB 1.505 33.245 31.823 -0.139 0.000 0.982 454 V HN 0.787 nan 8.190 nan 0.000 0.443 455 P HA 0.244 nan 4.420 nan 0.000 0.275 455 P C -0.072 177.125 177.300 -0.170 0.000 1.227 455 P CA -0.265 62.728 63.100 -0.178 0.000 0.781 455 P CB 0.701 32.301 31.700 -0.167 0.000 0.906 456 D N 0.831 121.168 120.400 -0.104 0.000 2.363 456 D HA -0.093 4.547 4.640 0.000 0.000 0.226 456 D C 0.872 177.122 176.300 -0.084 0.000 1.020 456 D CA 0.826 54.772 54.000 -0.090 0.000 0.892 456 D CB -0.181 40.584 40.800 -0.058 0.000 0.900 456 D HN 0.486 nan 8.370 nan 0.000 0.531 457 D N -0.251 120.101 120.400 -0.081 0.000 2.339 457 D HA -0.067 4.574 4.640 0.000 0.000 0.217 457 D C 0.252 176.513 176.300 -0.064 0.000 1.050 457 D CA -0.170 53.795 54.000 -0.058 0.000 0.856 457 D CB 0.264 41.044 40.800 -0.033 0.000 0.922 457 D HN 0.003 nan 8.370 nan 0.000 0.518 458 I N 1.835 122.335 120.570 -0.117 0.000 2.307 458 I HA 0.169 4.339 4.170 0.000 0.000 0.289 458 I C 1.392 177.443 176.117 -0.109 0.000 1.021 458 I CA -0.594 60.636 61.300 -0.117 0.000 1.224 458 I CB 1.025 38.850 38.000 -0.293 0.000 1.376 458 I HN 0.028 nan 8.210 nan 0.000 0.470 459 E N 5.419 125.577 120.200 -0.071 0.000 2.051 459 E HA -0.093 4.257 4.350 0.000 0.000 0.189 459 E C -0.386 176.028 176.600 -0.310 0.000 0.979 459 E CA 1.124 57.393 56.400 -0.218 0.000 0.803 459 E CB 0.321 29.865 29.700 -0.259 0.000 0.761 459 E HN 0.489 nan 8.360 nan 0.000 0.451 460 Y N -0.008 120.312 120.300 0.033 0.000 2.352 460 Y HA 0.359 4.909 4.550 0.000 0.000 0.339 460 Y C -0.514 175.415 175.900 0.047 0.000 0.992 460 Y CA -0.894 57.191 58.100 -0.024 0.000 1.100 460 Y CB 1.952 40.336 38.460 -0.126 0.000 1.192 460 Y HN -0.237 nan 8.280 nan 0.000 0.458 461 V N 4.426 124.456 119.914 0.193 0.000 2.435 461 V HA 0.351 4.471 4.120 0.000 0.000 0.290 461 V C -0.909 175.299 176.094 0.189 0.000 1.030 461 V CA -1.299 61.204 62.300 0.338 0.000 0.881 461 V CB 0.864 32.897 31.823 0.351 0.000 0.983 461 V HN 0.590 nan 8.190 nan 0.000 0.445 462 Y N 4.814 125.264 120.300 0.250 0.000 2.342 462 Y HA 0.718 5.268 4.550 0.000 0.000 0.334 462 Y C -0.002 176.129 175.900 0.384 0.000 1.067 462 Y CA -0.817 57.431 58.100 0.247 0.000 1.128 462 Y CB 1.453 39.957 38.460 0.074 0.000 1.200 462 Y HN 0.390 nan 8.280 nan 0.000 0.464 463 L N 4.521 126.106 121.223 0.603 0.000 2.409 463 L HA 0.633 4.974 4.340 0.000 0.000 0.272 463 L C -0.587 176.621 176.870 0.564 0.000 0.980 463 L CA -0.792 54.402 54.840 0.590 0.000 0.826 463 L CB 2.238 44.580 42.059 0.472 0.000 1.268 463 L HN 0.591 nan 8.230 nan 0.000 0.407 464 R N 2.453 123.275 120.500 0.538 0.000 2.561 464 R HA 0.730 5.070 4.340 0.000 0.000 0.297 464 R C -1.917 174.495 176.300 0.185 0.000 0.969 464 R CA -0.532 55.720 56.100 0.254 0.000 0.879 464 R CB 2.704 32.952 30.300 -0.087 0.000 1.178 464 R HN 0.433 nan 8.270 nan 0.000 0.445 465 V N 3.957 123.899 119.914 0.046 0.000 2.417 465 V HA 0.492 4.612 4.120 0.000 0.000 0.291 465 V C -1.016 174.947 176.094 -0.218 0.000 1.024 465 V CA -0.166 62.036 62.300 -0.163 0.000 0.861 465 V CB 2.082 33.754 31.823 -0.252 0.000 0.985 465 V HN 0.891 nan 8.190 nan 0.000 0.436 466 T N 6.502 120.926 114.554 -0.216 0.000 2.821 466 T HA 0.451 4.801 4.350 0.000 0.000 0.307 466 T C -0.442 174.084 174.700 -0.289 0.000 1.034 466 T CA -0.256 61.692 62.100 -0.252 0.000 0.953 466 T CB 1.030 69.809 68.868 -0.148 0.000 0.968 466 T HN 0.467 nan 8.240 nan 0.000 0.462 467 V N 4.960 124.507 119.914 -0.611 0.000 2.350 467 V HA 0.345 4.465 4.120 0.000 0.000 0.276 467 V C -0.067 175.803 176.094 -0.374 0.000 1.028 467 V CA -0.595 61.328 62.300 -0.628 0.000 0.860 467 V CB 1.212 32.159 31.823 -1.460 0.000 0.990 467 V HN 0.735 nan 8.190 nan 0.000 0.453 468 Q N 3.909 123.641 119.800 -0.112 0.000 2.523 468 Q HA 0.601 4.941 4.340 0.000 0.000 0.251 468 Q C 0.670 176.678 176.000 0.013 0.000 1.033 468 Q CA 0.352 56.172 55.803 0.028 0.000 0.746 468 Q CB 1.654 30.459 28.738 0.112 0.000 1.189 468 Q HN 0.986 nan 8.270 nan 0.000 0.508 469 A N 2.079 124.798 122.820 -0.168 0.000 5.175 469 A HA -0.392 3.928 4.320 0.000 0.000 0.332 469 A C 1.577 179.252 177.584 0.151 0.000 1.800 469 A CA 2.629 54.639 52.037 -0.046 0.000 0.707 469 A CB -2.115 16.848 19.000 -0.062 0.000 1.405 469 A HN 0.776 nan 8.150 nan 0.000 0.388 470 T N -1.492 113.139 114.554 0.128 0.000 3.007 470 T HA 0.331 4.681 4.350 0.000 0.000 0.270 470 T C 0.857 175.684 174.700 0.213 0.000 1.107 470 T CA 2.161 64.368 62.100 0.178 0.000 1.118 470 T CB -1.117 67.815 68.868 0.107 0.000 0.889 470 T HN 2.174 nan 8.240 nan 0.000 0.506 471 T N -0.378 114.288 114.554 0.186 0.000 2.907 471 T HA 0.681 5.031 4.350 0.000 0.000 0.290 471 T C -1.146 173.708 174.700 0.257 0.000 1.066 471 T CA -1.153 61.051 62.100 0.173 0.000 1.012 471 T CB 2.008 70.921 68.868 0.075 0.000 1.184 471 T HN 0.561 nan 8.240 nan 0.000 0.522 472 Y N -1.915 118.458 120.300 0.121 0.000 2.624 472 Y HA 0.821 5.371 4.550 0.000 0.000 0.334 472 Y C -1.524 174.459 175.900 0.138 0.000 1.155 472 Y CA -1.347 56.779 58.100 0.044 0.000 1.046 472 Y CB 1.461 39.900 38.460 -0.035 0.000 1.316 472 Y HN 0.615 nan 8.280 nan 0.000 0.457 473 K N 1.576 122.086 120.400 0.183 0.000 2.443 473 K HA 0.439 4.759 4.320 0.000 0.000 0.251 473 K C -2.004 174.687 176.600 0.152 0.000 0.972 473 K CA -1.008 55.403 56.287 0.208 0.000 0.833 473 K CB 2.742 35.321 32.500 0.132 0.000 1.317 473 K HN 0.822 nan 8.250 nan 0.000 0.441 474 Y N 0.263 120.780 120.300 0.361 0.000 2.377 474 Y HA 0.272 4.823 4.550 0.000 0.000 0.339 474 Y C 0.442 176.526 175.900 0.307 0.000 1.011 474 Y CA -0.284 58.019 58.100 0.337 0.000 1.093 474 Y CB 2.073 40.759 38.460 0.377 0.000 1.201 474 Y HN 0.556 nan 8.280 nan 0.000 0.455 475 S N 2.419 118.398 115.700 0.464 0.000 2.549 475 S HA 0.712 5.182 4.470 0.000 0.000 0.280 475 S C -1.459 173.531 174.600 0.650 0.000 1.109 475 S CA -0.901 57.576 58.200 0.461 0.000 0.905 475 S CB 1.204 64.595 63.200 0.318 0.000 1.081 475 S HN 0.617 nan 8.310 nan 0.000 0.477 476 Y N -0.349 120.188 120.300 0.395 0.000 2.549 476 Y HA 0.886 5.436 4.550 0.000 0.000 0.339 476 Y C -0.252 175.548 175.900 -0.167 0.000 1.053 476 Y CA -0.925 57.310 58.100 0.225 0.000 1.105 476 Y CB 1.612 40.115 38.460 0.071 0.000 1.258 476 Y HN 0.786 nan 8.280 nan 0.000 0.478 477 S N 1.234 116.666 115.700 -0.447 0.000 2.546 477 S HA 0.540 5.010 4.470 0.000 0.000 0.274 477 S C -0.990 173.513 174.600 -0.162 0.000 1.121 477 S CA -0.654 57.031 58.200 -0.859 0.000 0.887 477 S CB 0.621 62.649 63.200 -1.953 0.000 1.094 477 S HN 0.610 nan 8.310 nan 0.000 0.474 478 F N 1.924 121.834 119.950 -0.067 0.000 2.695 478 F HA 0.285 4.813 4.527 0.000 0.000 0.303 478 F C 1.350 177.216 175.800 0.110 0.000 1.091 478 F CA -0.274 57.809 58.000 0.138 0.000 1.300 478 F CB 0.283 39.359 39.000 0.126 0.000 1.071 478 F HN 0.682 nan 8.300 nan 0.000 0.578 479 D N -3.062 117.282 120.400 -0.093 0.000 2.516 479 D HA 0.199 4.840 4.640 0.000 0.000 0.241 479 D C 1.645 177.572 176.300 -0.623 0.000 1.246 479 D CA 0.688 54.587 54.000 -0.169 0.000 0.808 479 D CB -0.142 40.620 40.800 -0.064 0.000 1.147 479 D HN 0.119 nan 8.370 nan 0.000 0.527 480 G N 0.638 108.614 108.800 -1.373 0.000 2.162 480 G HA2 -0.377 3.583 3.960 0.000 0.000 0.260 480 G HA3 -0.377 3.583 3.960 0.000 0.000 0.260 480 G C 0.808 175.506 174.900 -0.336 0.000 0.976 480 G CA 1.074 45.480 45.100 -1.157 0.000 0.655 480 G HN 0.406 nan 8.290 nan 0.000 0.533 481 M N -1.117 118.261 119.600 -0.370 0.000 2.724 481 M HA 0.256 4.736 4.480 0.000 0.000 0.231 481 M C 0.125 176.375 176.300 -0.083 0.000 1.568 481 M CA 0.102 55.350 55.300 -0.087 0.000 1.153 481 M CB 0.314 32.876 32.600 -0.065 0.000 1.345 481 M HN 0.035 nan 8.290 nan 0.000 0.555 482 N N 0.681 119.215 118.700 -0.277 0.000 2.462 482 N HA 0.223 4.964 4.740 0.000 0.000 0.242 482 N C -1.858 173.399 175.510 -0.422 0.000 1.010 482 N CA 0.140 53.059 53.050 -0.219 0.000 0.939 482 N CB 0.237 38.626 38.487 -0.163 0.000 1.127 482 N HN 0.143 nan 8.380 nan 0.000 0.509 483 W N 2.435 123.626 121.300 -0.181 0.000 2.478 483 W HA 0.558 5.218 4.660 0.000 0.000 0.318 483 W C 0.084 176.444 176.519 -0.265 0.000 1.062 483 W CA -0.546 56.662 57.345 -0.229 0.000 1.210 483 W CB 1.041 30.424 29.460 -0.128 0.000 1.325 483 W HN 0.210 nan 8.180 nan 0.000 0.496 484 I N 3.524 123.947 120.570 -0.245 0.000 2.382 484 I HA 0.161 4.331 4.170 0.000 0.000 0.286 484 I C -0.499 175.575 176.117 -0.072 0.000 1.002 484 I CA -0.908 60.243 61.300 -0.248 0.000 1.135 484 I CB 1.162 38.871 38.000 -0.486 0.000 1.288 484 I HN 0.259 nan 8.210 nan 0.000 0.448 485 D N 6.234 126.675 120.400 0.069 0.000 2.414 485 D HA 0.311 4.951 4.640 0.000 0.000 0.242 485 D C -0.398 176.027 176.300 0.209 0.000 1.129 485 D CA 0.166 54.261 54.000 0.157 0.000 0.885 485 D CB 0.872 41.741 40.800 0.115 0.000 1.198 485 D HN 0.272 nan 8.370 nan 0.000 0.437 486 L N 4.108 125.502 121.223 0.286 0.000 2.290 486 L HA 0.295 4.635 4.340 0.000 0.000 0.284 486 L C -1.682 175.297 176.870 0.180 0.000 1.078 486 L CA -1.564 53.438 54.840 0.269 0.000 0.815 486 L CB 0.916 43.174 42.059 0.331 0.000 1.162 486 L HN 0.317 nan 8.230 nan 0.000 0.435 487 P HA 0.098 nan 4.420 nan 0.000 0.225 487 P C -0.813 176.483 177.300 -0.007 0.000 1.768 487 P CA 0.164 63.295 63.100 0.052 0.000 0.943 487 P CB 0.032 31.758 31.700 0.043 0.000 1.936 488 V N 0.312 120.205 119.914 -0.034 0.000 2.668 488 V HA 0.253 4.373 4.120 0.000 0.000 0.304 488 V C 0.049 175.955 176.094 -0.313 0.000 1.071 488 V CA -0.359 61.804 62.300 -0.227 0.000 0.894 488 V CB 2.423 34.040 31.823 -0.344 0.000 1.008 488 V HN 0.054 nan 8.190 nan 0.000 0.425 489 T N 5.367 119.715 114.554 -0.343 0.000 2.799 489 T HA 0.689 5.039 4.350 0.000 0.000 0.286 489 T C -0.589 173.808 174.700 -0.505 0.000 0.973 489 T CA -0.015 61.915 62.100 -0.284 0.000 1.035 489 T CB 0.574 69.359 68.868 -0.138 0.000 0.932 489 T HN 0.279 nan 8.240 nan 0.000 0.469 490 F N 1.305 121.079 119.950 -0.293 0.000 2.470 490 F HA 0.421 4.949 4.527 0.000 0.000 0.329 490 F C 0.967 176.515 175.800 -0.421 0.000 1.072 490 F CA -1.063 56.653 58.000 -0.473 0.000 0.989 490 F CB 1.312 39.737 39.000 -0.958 0.000 1.193 490 F HN 0.453 nan 8.300 nan 0.000 0.481 491 E N 0.495 120.684 120.200 -0.019 0.000 2.151 491 E HA 0.247 4.597 4.350 0.000 0.000 0.275 491 E C -0.086 176.638 176.600 0.208 0.000 0.936 491 E CA -0.305 56.157 56.400 0.103 0.000 0.777 491 E CB 1.649 31.433 29.700 0.139 0.000 1.108 491 E HN 0.555 nan 8.360 nan 0.000 0.401 492 S N 1.630 117.562 115.700 0.386 0.000 2.481 492 S HA -0.141 4.330 4.470 0.000 0.000 0.231 492 S C 1.617 176.360 174.600 0.238 0.000 0.996 492 S CA 0.567 59.055 58.200 0.480 0.000 0.942 492 S CB -0.225 63.341 63.200 0.610 0.000 0.768 492 S HN 0.652 nan 8.310 nan 0.000 0.520 493 Y N 1.654 121.953 120.300 -0.001 0.000 2.497 493 Y HA 0.176 4.726 4.550 0.000 0.000 0.292 493 Y C 1.552 177.223 175.900 -0.383 0.000 1.137 493 Y CA 0.689 58.687 58.100 -0.170 0.000 1.285 493 Y CB -0.386 37.802 38.460 -0.454 0.000 0.991 493 Y HN 0.018 nan 8.280 nan 0.000 0.556 494 K N 0.928 120.699 120.400 -1.048 0.000 2.439 494 K HA 0.101 4.421 4.320 0.000 0.000 0.197 494 K C 0.448 176.785 176.600 -0.438 0.000 1.041 494 K CA 0.693 56.270 56.287 -1.183 0.000 0.970 494 K CB -0.008 31.899 32.500 -0.987 0.000 0.773 494 K HN 0.423 nan 8.250 nan 0.000 0.479 495 L N 1.341 122.411 121.223 -0.255 0.000 3.108 495 L HA 0.148 4.488 4.340 0.000 0.000 0.251 495 L C -0.084 176.699 176.870 -0.145 0.000 1.315 495 L CA -0.564 54.164 54.840 -0.187 0.000 1.048 495 L CB 0.343 42.258 42.059 -0.241 0.000 1.432 495 L HN -0.010 nan 8.230 nan 0.000 0.543 496 S N -3.808 111.797 115.700 -0.159 0.000 2.607 496 S HA 0.389 4.859 4.470 0.000 0.000 0.303 496 S C 0.354 174.828 174.600 -0.210 0.000 1.086 496 S CA -0.795 57.402 58.200 -0.005 0.000 0.995 496 S CB 2.206 65.568 63.200 0.269 0.000 1.084 496 S HN 0.057 nan 8.310 nan 0.000 0.507 497 D N 1.228 121.618 120.400 -0.016 0.000 2.149 497 D HA -0.081 4.559 4.640 0.000 0.000 0.198 497 D C 0.902 177.209 176.300 0.012 0.000 0.990 497 D CA 1.783 55.764 54.000 -0.032 0.000 0.839 497 D CB -0.407 40.459 40.800 0.111 0.000 0.948 497 D HN 0.755 nan 8.370 nan 0.000 0.460 498 D N -1.295 119.226 120.400 0.201 0.000 2.289 498 D HA -0.099 4.541 4.640 0.000 0.000 0.207 498 D C 1.482 178.046 176.300 0.438 0.000 0.966 498 D CA 0.276 54.454 54.000 0.297 0.000 0.868 498 D CB -0.153 40.829 40.800 0.303 0.000 0.943 498 D HN 0.218 nan 8.370 nan 0.000 0.514 499 Y N 1.320 121.820 120.300 0.333 0.000 2.457 499 Y HA 0.056 4.606 4.550 0.000 0.000 0.292 499 Y C 0.282 176.265 175.900 0.139 0.000 1.125 499 Y CA 0.192 58.441 58.100 0.248 0.000 1.254 499 Y CB 0.142 38.607 38.460 0.008 0.000 1.012 499 Y HN -0.179 nan 8.280 nan 0.000 0.555 500 I N 2.150 122.698 120.570 -0.036 0.000 2.517 500 I HA -0.030 4.140 4.170 0.000 0.000 0.285 500 I C 1.061 177.186 176.117 0.014 0.000 1.106 500 I CA 0.210 61.461 61.300 -0.082 0.000 1.402 500 I CB 1.020 38.864 38.000 -0.260 0.000 1.399 500 I HN 0.064 nan 8.210 nan 0.000 0.535 501 K N 3.246 123.747 120.400 0.169 0.000 2.504 501 K HA -0.065 4.255 4.320 0.000 0.000 0.195 501 K C 1.764 178.353 176.600 -0.018 0.000 1.036 501 K CA 0.665 56.928 56.287 -0.039 0.000 0.984 501 K CB -0.026 32.340 32.500 -0.225 0.000 0.788 501 K HN 0.758 nan 8.250 nan 0.000 0.488 502 S N -0.708 114.983 115.700 -0.015 0.000 2.524 502 S HA 0.097 4.567 4.470 0.000 0.000 0.216 502 S C 0.900 175.463 174.600 -0.061 0.000 0.987 502 S CA -0.247 57.934 58.200 -0.032 0.000 0.909 502 S CB 0.071 63.246 63.200 -0.041 0.000 0.781 502 S HN 0.240 nan 8.310 nan 0.000 0.521 503 R N 0.001 120.443 120.500 -0.096 0.000 4.002 503 R HA -0.199 4.141 4.340 0.000 0.000 0.443 503 R C 0.543 176.628 176.300 -0.358 0.000 0.770 503 R CA 1.207 57.228 56.100 -0.131 0.000 1.648 503 R CB -2.324 27.966 30.300 -0.016 0.000 2.287 503 R HN 0.624 nan 8.270 nan 0.000 0.454 504 A N 1.284 123.877 122.820 -0.380 0.000 2.981 504 A HA 0.549 4.869 4.320 0.000 0.000 0.280 504 A C 0.343 177.468 177.584 -0.765 0.000 1.743 504 A CA 0.731 52.339 52.037 -0.714 0.000 1.430 504 A CB -0.090 18.764 19.000 -0.244 0.000 1.085 504 A HN 0.404 nan 8.150 nan 0.000 0.597 505 A N 1.236 123.423 122.820 -1.054 0.000 2.702 505 A HA 0.675 4.995 4.320 0.000 0.000 0.305 505 A C -0.608 176.705 177.584 -0.452 0.000 1.213 505 A CA -0.295 51.456 52.037 -0.477 0.000 0.745 505 A CB 0.196 19.048 19.000 -0.247 0.000 1.161 505 A HN 0.505 nan 8.150 nan 0.000 0.445 506 F N 0.745 120.477 119.950 -0.364 0.000 2.781 506 F HA 0.136 4.663 4.527 0.000 0.000 0.322 506 F C 1.747 177.088 175.800 -0.765 0.000 1.108 506 F CA 0.530 58.128 58.000 -0.670 0.000 1.179 506 F CB 0.207 38.453 39.000 -1.256 0.000 1.072 506 F HN 0.544 nan 8.300 nan 0.000 0.545 507 T N -2.273 111.968 114.554 -0.522 0.000 2.589 507 T HA 0.808 5.158 4.350 0.000 0.000 0.178 507 T C 0.808 175.192 174.700 -0.527 0.000 0.708 507 T CA 0.189 61.727 62.100 -0.937 0.000 1.734 507 T CB 0.491 68.634 68.868 -1.209 0.000 2.792 507 T HN 0.205 nan 8.240 nan 0.000 0.406 508 G N -0.067 108.391 108.800 -0.570 0.000 2.328 508 G HA2 0.556 4.516 3.960 0.000 0.000 0.299 508 G HA3 0.556 4.516 3.960 0.000 0.000 0.299 508 G C -1.135 173.727 174.900 -0.063 0.000 1.435 508 G CA -0.505 44.550 45.100 -0.075 0.000 0.865 508 G HN 0.893 nan 8.290 nan 0.000 0.601 509 A N -0.486 122.305 122.820 -0.048 0.000 2.371 509 A HA 0.819 5.139 4.320 0.000 0.000 0.257 509 A C -0.740 176.749 177.584 -0.158 0.000 1.089 509 A CA 0.122 51.990 52.037 -0.280 0.000 0.794 509 A CB 0.149 18.466 19.000 -1.139 0.000 1.029 509 A HN 0.877 nan 8.150 nan 0.000 0.488 510 F N 0.225 120.045 119.950 -0.217 0.000 2.577 510 F HA 0.570 5.097 4.527 0.000 0.000 0.318 510 F C 0.064 176.042 175.800 0.298 0.000 1.065 510 F CA -0.812 57.184 58.000 -0.006 0.000 0.929 510 F CB 2.392 41.295 39.000 -0.161 0.000 1.237 510 F HN 0.470 nan 8.300 nan 0.000 0.468 511 V N 1.672 121.902 119.914 0.526 0.000 2.680 511 V HA 0.991 5.111 4.120 0.000 0.000 0.309 511 V C -0.534 175.768 176.094 0.346 0.000 1.052 511 V CA 0.050 62.700 62.300 0.582 0.000 0.908 511 V CB 1.384 33.608 31.823 0.667 0.000 1.001 511 V HN 0.919 nan 8.190 nan 0.000 0.431 512 G N 4.913 113.922 108.800 0.348 0.000 2.554 512 G HA2 0.517 4.477 3.960 0.000 0.000 0.306 512 G HA3 0.517 4.477 3.960 0.000 0.000 0.306 512 G C -1.762 173.195 174.900 0.096 0.000 1.320 512 G CA -0.983 44.111 45.100 -0.011 0.000 0.800 512 G HN 0.720 nan 8.290 nan 0.000 0.481 513 M N 1.135 120.592 119.600 -0.237 0.000 2.364 513 M HA 0.499 4.979 4.480 0.000 0.000 0.334 513 M C -0.750 175.528 176.300 -0.037 0.000 1.107 513 M CA -0.739 54.355 55.300 -0.344 0.000 0.988 513 M CB 2.239 34.114 32.600 -1.208 0.000 1.673 513 M HN 0.627 nan 8.290 nan 0.000 0.441 514 H N 1.270 120.392 119.070 0.088 0.000 2.851 514 H HA 0.586 5.142 4.556 0.000 0.000 0.372 514 H C -1.991 173.409 175.328 0.120 0.000 1.158 514 H CA -0.651 55.501 56.048 0.173 0.000 1.159 514 H CB 2.285 32.082 29.762 0.058 0.000 1.757 514 H HN 0.870 nan 8.280 nan 0.000 0.546 515 C N 5.478 124.560 119.300 -0.363 0.000 2.535 515 C HA 0.553 5.013 4.460 0.000 0.000 0.319 515 C C -0.741 174.064 174.990 -0.309 0.000 1.171 515 C CA -0.629 58.251 59.018 -0.232 0.000 1.394 515 C CB 0.834 28.504 27.740 -0.118 0.000 1.990 515 C HN 0.980 nan 8.230 nan 0.000 0.466 516 R N 3.635 124.090 120.500 -0.075 0.000 2.494 516 R HA 0.541 4.881 4.340 0.000 0.000 0.305 516 R C -1.463 174.881 176.300 0.073 0.000 0.959 516 R CA -0.158 55.959 56.100 0.029 0.000 0.864 516 R CB 1.145 31.535 30.300 0.150 0.000 1.159 516 R HN 0.762 nan 8.270 nan 0.000 0.446 517 D N 3.315 123.753 120.400 0.064 0.000 2.446 517 D HA 0.237 4.877 4.640 0.000 0.000 0.251 517 D C 0.487 176.813 176.300 0.043 0.000 1.137 517 D CA -0.292 53.750 54.000 0.071 0.000 0.890 517 D CB 1.555 42.398 40.800 0.072 0.000 1.071 517 D HN 0.850 nan 8.370 nan 0.000 0.528 518 G N 1.383 110.211 108.800 0.047 0.000 2.813 518 G HA2 -0.124 3.836 3.960 0.000 0.000 0.209 518 G HA3 -0.124 3.836 3.960 0.000 0.000 0.209 518 G C 1.304 176.207 174.900 0.005 0.000 1.150 518 G CA 0.667 45.790 45.100 0.037 0.000 0.785 518 G HN 0.460 nan 8.290 nan 0.000 0.535 519 S N -0.781 114.905 115.700 -0.022 0.000 2.478 519 S HA 0.333 4.803 4.470 0.000 0.000 0.222 519 S C 1.825 176.398 174.600 -0.044 0.000 1.008 519 S CA 1.023 59.189 58.200 -0.058 0.000 0.928 519 S CB -0.050 63.084 63.200 -0.110 0.000 0.781 519 S HN 1.387 nan 8.310 nan 0.000 0.518 520 G N 1.240 110.026 108.800 -0.024 0.000 2.149 520 G HA2 -0.236 3.724 3.960 0.000 0.000 0.235 520 G HA3 -0.236 3.724 3.960 0.000 0.000 0.235 520 G C 0.367 175.254 174.900 -0.022 0.000 1.018 520 G CA 0.346 45.434 45.100 -0.019 0.000 0.728 520 G HN 0.558 nan 8.290 nan 0.000 0.508 521 Q N -0.690 119.096 119.800 -0.023 0.000 2.360 521 Q HA 0.156 4.497 4.340 0.000 0.000 0.202 521 Q C 1.383 177.393 176.000 0.017 0.000 0.915 521 Q CA 0.296 56.083 55.803 -0.027 0.000 0.943 521 Q CB 0.196 28.895 28.738 -0.066 0.000 1.064 521 Q HN 0.590 nan 8.270 nan 0.000 0.511 522 N N 1.299 120.031 118.700 0.053 0.000 2.714 522 N HA -0.182 4.558 4.740 0.000 0.000 0.250 522 N C -0.746 174.914 175.510 0.250 0.000 1.117 522 N CA 0.268 53.402 53.050 0.140 0.000 0.719 522 N CB -0.862 37.678 38.487 0.088 0.000 1.081 522 N HN 0.214 nan 8.380 nan 0.000 0.557 523 N N 0.444 119.221 118.700 0.129 0.000 2.479 523 N HA 0.205 4.945 4.740 0.000 0.000 0.257 523 N C -0.511 175.086 175.510 0.146 0.000 1.232 523 N CA 0.376 53.449 53.050 0.037 0.000 0.920 523 N CB 0.283 38.720 38.487 -0.083 0.000 1.105 523 N HN 0.359 nan 8.380 nan 0.000 0.444 524 Y N -0.576 119.782 120.300 0.096 0.000 2.602 524 Y HA 0.832 5.383 4.550 0.000 0.000 0.342 524 Y C -0.936 175.012 175.900 0.079 0.000 1.029 524 Y CA -1.679 56.393 58.100 -0.046 0.000 1.080 524 Y CB 0.747 38.941 38.460 -0.442 0.000 1.284 524 Y HN 0.463 nan 8.280 nan 0.000 0.485 525 A N 1.357 124.272 122.820 0.158 0.000 2.343 525 A HA 0.525 4.845 4.320 0.000 0.000 0.308 525 A C -1.610 175.933 177.584 -0.069 0.000 1.092 525 A CA -0.799 51.235 52.037 -0.006 0.000 0.751 525 A CB 0.623 19.397 19.000 -0.377 0.000 1.203 525 A HN 0.724 nan 8.150 nan 0.000 0.452 526 D N 2.061 122.434 120.400 -0.045 0.000 2.347 526 D HA 0.367 5.007 4.640 0.000 0.000 0.235 526 D C -1.129 175.184 176.300 0.022 0.000 1.149 526 D CA 0.577 54.619 54.000 0.069 0.000 0.850 526 D CB 0.490 41.384 40.800 0.156 0.000 1.061 526 D HN 0.331 nan 8.370 nan 0.000 0.487 527 F N 2.167 122.208 119.950 0.151 0.000 2.334 527 F HA 0.076 4.603 4.527 0.000 0.000 0.365 527 F C 1.779 177.708 175.800 0.215 0.000 1.124 527 F CA -0.649 57.437 58.000 0.143 0.000 1.166 527 F CB 0.893 39.917 39.000 0.040 0.000 1.355 527 F HN 0.244 nan 8.300 nan 0.000 0.532 528 D N 2.939 123.486 120.400 0.245 0.000 2.106 528 D HA -0.219 4.421 4.640 0.000 0.000 0.191 528 D C -0.050 176.466 176.300 0.361 0.000 0.997 528 D CA 1.919 55.934 54.000 0.025 0.000 0.834 528 D CB 0.220 40.933 40.800 -0.145 0.000 0.956 528 D HN 0.488 nan 8.370 nan 0.000 0.448 529 Y N -3.260 117.246 120.300 0.344 0.000 2.638 529 Y HA 0.518 5.068 4.550 0.000 0.000 0.335 529 Y C -1.673 174.447 175.900 0.368 0.000 1.155 529 Y CA -1.698 56.521 58.100 0.198 0.000 1.046 529 Y CB 0.747 39.237 38.460 0.050 0.000 1.303 529 Y HN -0.184 nan 8.280 nan 0.000 0.460 530 F N 3.499 123.532 119.950 0.137 0.000 2.460 530 F HA 0.672 5.199 4.527 0.000 0.000 0.341 530 F C -1.828 174.183 175.800 0.353 0.000 1.130 530 F CA -1.244 56.928 58.000 0.287 0.000 0.962 530 F CB 1.461 40.686 39.000 0.374 0.000 1.171 530 F HN 0.684 nan 8.300 nan 0.000 0.436 531 L N 7.970 129.074 121.223 -0.197 0.000 2.307 531 L HA 0.504 4.844 4.340 0.000 0.000 0.284 531 L C -2.104 174.537 176.870 -0.380 0.000 1.023 531 L CA -0.616 54.154 54.840 -0.117 0.000 0.810 531 L CB 1.142 43.276 42.059 0.125 0.000 1.231 531 L HN 0.618 nan 8.230 nan 0.000 0.423 532 Y N 5.168 125.327 120.300 -0.234 0.000 2.327 532 Y HA 0.512 5.062 4.550 0.000 0.000 0.325 532 Y C -1.136 174.788 175.900 0.041 0.000 0.999 532 Y CA -0.762 57.267 58.100 -0.118 0.000 1.195 532 Y CB 1.002 39.417 38.460 -0.076 0.000 1.132 532 Y HN 0.694 nan 8.280 nan 0.000 0.455 533 K N 5.750 125.944 120.400 -0.343 0.000 2.507 533 K HA 0.263 4.583 4.320 0.000 0.000 0.252 533 K C -0.864 175.504 176.600 -0.387 0.000 0.943 533 K CA -0.653 55.461 56.287 -0.288 0.000 0.808 533 K CB 1.321 33.727 32.500 -0.157 0.000 1.142 533 K HN 0.848 nan 8.250 nan 0.000 0.426 534 E N 4.507 124.453 120.200 -0.423 0.000 2.442 534 E HA 0.059 4.409 4.350 0.000 0.000 0.262 534 E C -0.885 175.587 176.600 -0.213 0.000 1.004 534 E CA 0.092 56.255 56.400 -0.396 0.000 0.928 534 E CB 0.590 29.945 29.700 -0.576 0.000 0.937 534 E HN 0.466 nan 8.360 nan 0.000 0.446 535 L N 0.000 121.149 121.223 -0.123 0.000 2.949 535 L HA 0.000 4.340 4.340 0.000 0.000 0.249 535 L CA 0.000 54.788 54.840 -0.087 0.000 0.813 535 L CB 0.000 42.010 42.059 -0.082 0.000 0.961 535 L HN 0.000 nan 8.230 nan 0.000 0.502