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 2exh_1_D DATA FIRST_RESID 3 DATA SEQUENCE KIKNPILTGF HPDPSICRVG 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 0.000 176.613 176.600 0.022 0.000 0.988 3 K CA 0.000 56.297 56.287 0.017 0.000 0.838 3 K CB 0.000 32.509 32.500 0.016 0.000 1.064 4 I N 3.648 124.241 120.570 0.039 0.000 2.301 4 I HA 0.209 4.379 4.170 0.000 0.000 0.292 4 I C -0.198 175.957 176.117 0.063 0.000 1.046 4 I CA -0.295 61.035 61.300 0.050 0.000 1.282 4 I CB 0.926 38.963 38.000 0.061 0.000 1.409 4 I HN 0.141 nan 8.210 nan 0.000 0.484 5 K N 5.900 126.335 120.400 0.059 0.000 2.183 5 K HA 0.319 4.639 4.320 0.000 0.000 0.274 5 K C -0.421 176.215 176.600 0.060 0.000 1.009 5 K CA -0.707 55.617 56.287 0.062 0.000 0.888 5 K CB 0.932 33.468 32.500 0.059 0.000 1.078 5 K HN 0.509 nan 8.250 nan 0.000 0.459 6 N N 3.549 122.286 118.700 0.062 0.000 2.515 6 N HA 0.311 5.051 4.740 0.000 0.000 0.279 6 N C -2.524 173.015 175.510 0.050 0.000 1.164 6 N CA -1.420 51.656 53.050 0.043 0.000 0.982 6 N CB 1.015 39.537 38.487 0.057 0.000 1.170 6 N HN 0.374 nan 8.380 nan 0.000 0.474 7 P HA 0.238 nan 4.420 nan 0.000 0.279 7 P C 0.958 178.205 177.300 -0.088 0.000 1.239 7 P CA -0.406 62.663 63.100 -0.052 0.000 0.789 7 P CB 0.705 32.367 31.700 -0.063 0.000 0.933 8 I N -0.016 120.466 120.570 -0.147 0.000 2.406 8 I HA 0.032 4.202 4.170 0.000 0.000 0.249 8 I C 0.202 176.119 176.117 -0.334 0.000 1.122 8 I CA 1.101 62.309 61.300 -0.153 0.000 1.431 8 I CB -0.374 37.555 38.000 -0.119 0.000 1.087 8 I HN 0.075 nan 8.210 nan 0.000 0.424 9 L N 3.357 124.264 121.223 -0.527 0.000 2.295 9 L HA 0.413 4.753 4.340 0.000 0.000 0.281 9 L C 0.089 176.624 176.870 -0.559 0.000 1.018 9 L CA -0.571 53.789 54.840 -0.800 0.000 0.841 9 L CB 1.348 42.650 42.059 -1.262 0.000 1.218 9 L HN 0.224 nan 8.230 nan 0.000 0.424 10 T N -0.273 114.030 114.554 -0.419 0.000 2.918 10 T HA 0.783 5.133 4.350 0.000 0.000 0.283 10 T C 0.581 175.221 174.700 -0.100 0.000 1.001 10 T CA 0.097 62.063 62.100 -0.224 0.000 1.041 10 T CB 1.877 70.601 68.868 -0.240 0.000 1.028 10 T HN 0.958 nan 8.240 nan 0.000 0.511 11 G N 1.236 109.995 108.800 -0.068 0.000 2.877 11 G HA2 -0.129 3.831 3.960 0.000 0.000 0.279 11 G HA3 -0.129 3.831 3.960 0.000 0.000 0.279 11 G C -0.311 174.664 174.900 0.124 0.000 1.431 11 G CA -0.372 44.720 45.100 -0.013 0.000 0.883 11 G HN 1.552 nan 8.290 nan 0.000 0.547 12 F N 2.234 122.063 119.950 -0.200 0.000 2.315 12 F HA 0.277 4.805 4.527 0.000 0.000 0.315 12 F C 0.746 176.283 175.800 -0.438 0.000 1.173 12 F CA 0.477 58.334 58.000 -0.238 0.000 0.873 12 F CB -0.873 37.960 39.000 -0.280 0.000 0.994 12 F HN 0.523 nan 8.300 nan 0.000 0.562 13 H N 4.878 123.858 119.070 -0.150 0.000 2.600 13 H HA 0.325 4.882 4.556 0.000 0.000 0.224 13 H C -2.594 172.665 175.328 -0.114 0.000 1.413 13 H CA -1.499 54.391 56.048 -0.264 0.000 1.401 13 H CB 0.436 30.022 29.762 -0.293 0.000 1.772 13 H HN 0.309 nan 8.280 nan 0.000 0.528 14 P HA 0.129 nan 4.420 nan 0.000 0.278 14 P C -0.286 177.039 177.300 0.042 0.000 1.266 14 P CA -0.394 62.775 63.100 0.115 0.000 0.807 14 P CB 0.734 32.589 31.700 0.257 0.000 1.094 15 D N -2.100 118.305 120.400 0.007 0.000 2.812 15 D HA -0.111 4.529 4.640 0.000 0.000 0.237 15 D C -2.112 174.237 176.300 0.083 0.000 1.162 15 D CA 0.334 54.283 54.000 -0.085 0.000 0.740 15 D CB -1.634 38.988 40.800 -0.297 0.000 1.000 15 D HN 0.322 nan 8.370 nan 0.000 0.416 16 P HA 0.116 nan 4.420 nan 0.000 0.276 16 P C -0.272 177.136 177.300 0.179 0.000 1.243 16 P CA -0.042 63.109 63.100 0.085 0.000 0.768 16 P CB 1.463 33.159 31.700 -0.007 0.000 0.856 17 S N 4.334 120.137 115.700 0.172 0.000 2.520 17 S HA 0.426 4.896 4.470 0.000 0.000 0.324 17 S C -0.230 174.485 174.600 0.191 0.000 1.069 17 S CA -0.869 57.459 58.200 0.213 0.000 1.121 17 S CB -0.452 62.903 63.200 0.258 0.000 0.971 17 S HN 0.412 nan 8.310 nan 0.000 0.463 18 I N 4.828 125.529 120.570 0.219 0.000 2.440 18 I HA 0.575 4.745 4.170 0.000 0.000 0.294 18 I C -0.545 175.783 176.117 0.351 0.000 0.995 18 I CA -0.399 61.075 61.300 0.289 0.000 1.306 18 I CB 0.927 39.103 38.000 0.293 0.000 1.407 18 I HN 0.764 nan 8.210 nan 0.000 0.501 19 C N 8.080 127.640 119.300 0.434 0.000 2.481 19 C HA 0.515 4.976 4.460 0.000 0.000 0.324 19 C C -0.434 174.844 174.990 0.480 0.000 1.170 19 C CA -0.676 58.613 59.018 0.451 0.000 1.361 19 C CB 1.225 29.246 27.740 0.468 0.000 1.977 19 C HN 0.947 nan 8.230 nan 0.000 0.459 20 R N 4.199 124.906 120.500 0.345 0.000 2.312 20 R HA 0.763 5.103 4.340 0.000 0.000 0.311 20 R C -1.490 174.827 176.300 0.029 0.000 1.004 20 R CA -0.288 55.874 56.100 0.103 0.000 0.902 20 R CB 1.193 31.559 30.300 0.109 0.000 1.073 20 R HN 0.655 nan 8.270 nan 0.000 0.457 21 V N 5.550 125.399 119.914 -0.108 0.000 2.398 21 V HA 0.368 4.488 4.120 0.000 0.000 0.282 21 V C 0.963 176.887 176.094 -0.283 0.000 1.014 21 V CA 0.139 62.286 62.300 -0.255 0.000 0.838 21 V CB 0.728 32.316 31.823 -0.392 0.000 1.018 21 V HN 1.178 nan 8.190 nan 0.000 0.432 22 G N 4.968 113.614 108.800 -0.257 0.000 2.815 22 G HA2 -0.337 3.623 3.960 0.000 0.000 0.326 22 G HA3 -0.337 3.623 3.960 0.000 0.000 0.326 22 G C 0.531 175.194 174.900 -0.394 0.000 1.191 22 G CA 0.897 45.843 45.100 -0.256 0.000 0.965 22 G HN 1.007 nan 8.290 nan 0.000 0.564 23 D N 0.940 121.067 120.400 -0.455 0.000 2.535 23 D HA 0.252 4.892 4.640 0.000 0.000 0.229 23 D C -0.497 175.564 176.300 -0.398 0.000 1.238 23 D CA 0.073 53.712 54.000 -0.602 0.000 0.824 23 D CB 0.051 40.438 40.800 -0.688 0.000 1.045 23 D HN 0.402 nan 8.370 nan 0.000 0.500 24 D N 0.508 120.643 120.400 -0.441 0.000 2.185 24 D HA 0.263 4.904 4.640 0.000 0.000 0.247 24 D C -0.774 175.118 176.300 -0.680 0.000 1.027 24 D CA -0.226 53.594 54.000 -0.299 0.000 0.861 24 D CB 1.471 42.240 40.800 -0.051 0.000 1.202 24 D HN 0.067 nan 8.370 nan 0.000 0.453 25 Y N 0.882 120.999 120.300 -0.306 0.000 2.409 25 Y HA 0.376 4.926 4.550 0.000 0.000 0.343 25 Y C -0.631 175.158 175.900 -0.186 0.000 0.973 25 Y CA -0.848 57.168 58.100 -0.139 0.000 1.064 25 Y CB 1.448 39.872 38.460 -0.060 0.000 1.207 25 Y HN 0.231 nan 8.280 nan 0.000 0.452 26 Y N 3.005 123.626 120.300 0.535 0.000 2.442 26 Y HA 0.674 5.224 4.550 0.000 0.000 0.344 26 Y C -0.617 175.518 175.900 0.392 0.000 0.976 26 Y CA -1.118 57.269 58.100 0.478 0.000 1.040 26 Y CB 1.803 40.441 38.460 0.297 0.000 1.228 26 Y HN 0.362 nan 8.280 nan 0.000 0.451 27 I N 2.858 123.678 120.570 0.416 0.000 2.418 27 I HA 0.653 4.824 4.170 0.000 0.000 0.287 27 I C -0.522 175.687 176.117 0.152 0.000 1.008 27 I CA -0.921 60.466 61.300 0.145 0.000 1.104 27 I CB 1.668 39.522 38.000 -0.243 0.000 1.264 27 I HN 0.739 nan 8.210 nan 0.000 0.438 28 A N 6.687 129.582 122.820 0.125 0.000 2.301 28 A HA 0.793 5.113 4.320 0.000 0.000 0.312 28 A C -0.324 177.292 177.584 0.053 0.000 1.182 28 A CA -0.484 51.597 52.037 0.074 0.000 0.826 28 A CB 1.133 20.159 19.000 0.044 0.000 1.134 28 A HN 0.590 nan 8.150 nan 0.000 0.501 29 V N 0.647 120.573 119.914 0.021 0.000 3.019 29 V HA 0.850 4.970 4.120 0.000 0.000 0.317 29 V C 0.241 176.286 176.094 -0.081 0.000 1.094 29 V CA -0.343 61.945 62.300 -0.020 0.000 1.000 29 V CB 1.356 33.163 31.823 -0.027 0.000 1.060 29 V HN 1.150 nan 8.190 nan 0.000 0.443 30 S N 1.243 116.890 115.700 -0.088 0.000 2.585 30 S HA 0.455 4.925 4.470 0.000 0.000 0.273 30 S C 0.725 175.261 174.600 -0.105 0.000 1.339 30 S CA 0.232 58.344 58.200 -0.147 0.000 1.028 30 S CB 0.967 64.021 63.200 -0.243 0.000 0.906 30 S HN 1.410 nan 8.310 nan 0.000 0.528 31 T N -2.222 112.316 114.554 -0.027 0.000 3.041 31 T HA 0.331 4.681 4.350 0.000 0.000 0.276 31 T C 0.481 175.577 174.700 0.661 0.000 0.948 31 T CA -0.218 62.052 62.100 0.283 0.000 0.885 31 T CB -0.807 68.114 68.868 0.089 0.000 1.175 31 T HN 0.547 nan 8.240 nan 0.000 0.529 32 F N 2.697 122.872 119.950 0.375 0.000 2.756 32 F HA -0.343 4.184 4.527 0.000 0.000 0.240 32 F C 1.809 177.751 175.800 0.237 0.000 1.487 32 F CA 1.889 60.094 58.000 0.341 0.000 1.859 32 F CB -1.072 38.120 39.000 0.319 0.000 1.319 32 F HN 0.317 nan 8.300 nan 0.000 0.230 33 E N 0.607 121.001 120.200 0.323 0.000 2.502 33 E HA -0.028 4.322 4.350 0.000 0.000 0.194 33 E C -0.176 176.360 176.600 -0.106 0.000 1.062 33 E CA 0.504 56.916 56.400 0.020 0.000 0.867 33 E CB -0.372 29.232 29.700 -0.160 0.000 0.888 33 E HN 0.500 nan 8.360 nan 0.000 0.510 34 W N 1.073 122.457 121.300 0.140 0.000 2.316 34 W HA 0.384 5.044 4.660 0.000 0.000 0.311 34 W C -0.257 176.333 176.519 0.117 0.000 1.217 34 W CA -0.793 56.604 57.345 0.085 0.000 1.199 34 W CB 0.468 29.990 29.460 0.103 0.000 1.202 34 W HN -0.115 nan 8.180 nan 0.000 0.528 35 F N 6.519 126.577 119.950 0.180 0.000 2.450 35 F HA 0.533 5.061 4.527 0.000 0.000 0.332 35 F C -1.729 174.117 175.800 0.077 0.000 1.093 35 F CA -2.883 55.160 58.000 0.072 0.000 1.003 35 F CB 1.164 40.164 39.000 0.001 0.000 1.151 35 F HN 0.094 nan 8.300 nan 0.000 0.474 36 P HA 0.219 nan 4.420 nan 0.000 0.274 36 P C -0.645 176.271 177.300 -0.640 0.000 1.256 36 P CA -0.312 62.044 63.100 -1.241 0.000 0.795 36 P CB 0.681 31.885 31.700 -0.826 0.000 1.038 37 G N -0.332 108.067 108.800 -0.668 0.000 2.390 37 G HA2 0.455 4.416 3.960 0.000 0.000 0.270 37 G HA3 0.455 4.416 3.960 0.000 0.000 0.270 37 G C -0.582 174.087 174.900 -0.385 0.000 1.211 37 G CA -0.396 44.466 45.100 -0.396 0.000 0.842 37 G HN 0.449 nan 8.290 nan 0.000 0.519 38 V N 0.777 120.528 119.914 -0.273 0.000 3.532 38 V HA -0.198 3.923 4.120 0.000 0.000 0.505 38 V C 0.126 176.066 176.094 -0.256 0.000 0.682 38 V CA 0.364 62.510 62.300 -0.257 0.000 2.056 38 V CB -0.742 30.892 31.823 -0.314 0.000 2.484 38 V HN 1.110 nan 8.190 nan 0.000 0.509 39 R N 4.581 124.966 120.500 -0.193 0.000 2.445 39 R HA 0.818 5.159 4.340 0.000 0.000 0.308 39 R C -0.494 175.732 176.300 -0.123 0.000 0.961 39 R CA -0.720 55.258 56.100 -0.203 0.000 0.862 39 R CB 1.880 32.089 30.300 -0.152 0.000 1.144 39 R HN 0.663 nan 8.270 nan 0.000 0.447 40 I N 3.123 123.567 120.570 -0.209 0.000 2.433 40 I HA 0.350 4.520 4.170 0.000 0.000 0.292 40 I C -0.890 175.153 176.117 -0.122 0.000 1.001 40 I CA -0.938 60.326 61.300 -0.059 0.000 1.119 40 I CB 1.245 39.217 38.000 -0.047 0.000 1.289 40 I HN 0.436 nan 8.210 nan 0.000 0.438 41 Y N 3.983 124.343 120.300 0.100 0.000 2.446 41 Y HA 0.433 4.983 4.550 0.000 0.000 0.338 41 Y C 0.111 176.273 175.900 0.437 0.000 1.055 41 Y CA -0.536 57.682 58.100 0.196 0.000 1.101 41 Y CB 1.464 40.011 38.460 0.144 0.000 1.221 41 Y HN 0.479 nan 8.280 nan 0.000 0.460 42 H N 1.000 120.264 119.070 0.324 0.000 2.569 42 H HA 0.686 5.243 4.556 0.000 0.000 0.357 42 H C -1.360 173.896 175.328 -0.121 0.000 1.153 42 H CA -0.374 55.694 56.048 0.033 0.000 1.193 42 H CB 2.159 31.799 29.762 -0.204 0.000 1.602 42 H HN 0.660 nan 8.280 nan 0.000 0.523 43 S N 2.653 117.737 115.700 -1.027 0.000 2.556 43 S HA 0.282 4.752 4.470 0.000 0.000 0.271 43 S C -0.037 174.161 174.600 -0.670 0.000 1.135 43 S CA -0.774 56.842 58.200 -0.973 0.000 0.858 43 S CB 1.752 63.802 63.200 -1.916 0.000 1.114 43 S HN 0.745 nan 8.310 nan 0.000 0.468 44 K N 1.253 121.465 120.400 -0.313 0.000 2.335 44 K HA 0.148 4.468 4.320 0.000 0.000 0.195 44 K C 0.163 176.679 176.600 -0.140 0.000 1.058 44 K CA 0.909 57.125 56.287 -0.117 0.000 0.988 44 K CB 0.093 32.547 32.500 -0.076 0.000 0.880 44 K HN 0.803 nan 8.250 nan 0.000 0.513 45 D N -0.573 119.635 120.400 -0.319 0.000 2.469 45 D HA 0.086 4.727 4.640 0.000 0.000 0.213 45 D C 0.777 176.819 176.300 -0.430 0.000 1.135 45 D CA -0.234 53.573 54.000 -0.323 0.000 0.834 45 D CB -0.030 40.605 40.800 -0.275 0.000 1.009 45 D HN 0.009 nan 8.370 nan 0.000 0.507 46 L N -1.102 119.774 121.223 -0.578 0.000 4.884 46 L HA -0.327 4.013 4.340 0.000 0.000 0.430 46 L C 1.538 178.306 176.870 -0.171 0.000 1.087 46 L CA 1.384 55.957 54.840 -0.444 0.000 1.033 46 L CB -1.291 40.478 42.059 -0.484 0.000 2.030 46 L HN 0.268 nan 8.230 nan 0.000 0.762 47 K N 0.173 120.393 120.400 -0.301 0.000 2.273 47 K HA 0.135 4.455 4.320 0.000 0.000 0.206 47 K C 0.663 177.210 176.600 -0.088 0.000 1.072 47 K CA 0.091 56.324 56.287 -0.090 0.000 0.953 47 K CB 0.478 32.913 32.500 -0.108 0.000 1.043 47 K HN 0.245 nan 8.250 nan 0.000 0.477 48 N N 0.629 119.163 118.700 -0.277 0.000 2.426 48 N HA 0.115 4.855 4.740 0.000 0.000 0.275 48 N C -1.494 173.964 175.510 -0.086 0.000 1.019 48 N CA -0.043 52.953 53.050 -0.090 0.000 0.941 48 N CB 0.794 39.159 38.487 -0.205 0.000 1.123 48 N HN 0.140 nan 8.380 nan 0.000 0.486 49 W N 1.541 123.032 121.300 0.318 0.000 2.739 49 W HA 0.399 5.059 4.660 0.000 0.000 0.331 49 W C 0.114 176.749 176.519 0.193 0.000 1.049 49 W CA -0.964 56.506 57.345 0.209 0.000 1.234 49 W CB 1.494 30.960 29.460 0.011 0.000 1.404 49 W HN 0.310 nan 8.180 nan 0.000 0.477 50 R N 2.158 122.751 120.500 0.156 0.000 2.670 50 R HA 0.771 5.111 4.340 0.000 0.000 0.289 50 R C -1.279 175.020 176.300 -0.001 0.000 0.965 50 R CA -1.238 54.857 56.100 -0.008 0.000 0.899 50 R CB 1.651 31.616 30.300 -0.558 0.000 1.173 50 R HN 0.486 nan 8.270 nan 0.000 0.456 51 L N 3.928 125.018 121.223 -0.221 0.000 2.433 51 L HA 0.110 4.451 4.340 0.000 0.000 0.275 51 L C 0.427 177.011 176.870 -0.478 0.000 1.128 51 L CA 0.269 54.647 54.840 -0.770 0.000 0.875 51 L CB 1.490 42.895 42.059 -1.090 0.000 1.171 51 L HN 0.807 nan 8.230 nan 0.000 0.463 52 V N 2.119 121.819 119.914 -0.356 0.000 3.612 52 V HA 0.766 4.886 4.120 0.000 0.000 0.268 52 V C 0.489 176.484 176.094 -0.165 0.000 1.365 52 V CA 0.455 62.639 62.300 -0.193 0.000 1.044 52 V CB -0.334 31.435 31.823 -0.090 0.000 0.820 52 V HN 0.905 nan 8.190 nan 0.000 0.444 53 A N 0.629 123.321 122.820 -0.214 0.000 2.547 53 A HA 0.867 5.187 4.320 0.000 0.000 0.297 53 A C -0.640 176.805 177.584 -0.232 0.000 1.056 53 A CA -0.819 51.127 52.037 -0.152 0.000 0.688 53 A CB 1.481 20.452 19.000 -0.048 0.000 1.282 53 A HN 0.302 nan 8.150 nan 0.000 0.400 54 R N 2.456 122.831 120.500 -0.208 0.000 2.585 54 R HA 0.295 4.635 4.340 0.000 0.000 0.278 54 R C -2.340 173.772 176.300 -0.312 0.000 1.663 54 R CA -1.488 54.447 56.100 -0.276 0.000 1.592 54 R CB 1.253 31.402 30.300 -0.252 0.000 1.200 54 R HN 0.424 nan 8.270 nan 0.000 0.611 55 P HA -0.149 nan 4.420 nan 0.000 0.215 55 P C 0.064 177.046 177.300 -0.530 0.000 1.153 55 P CA 1.084 63.777 63.100 -0.679 0.000 0.853 55 P CB 0.306 31.125 31.700 -1.467 0.000 0.788 56 L N 0.659 121.541 121.223 -0.568 0.000 2.389 56 L HA 0.236 4.576 4.340 0.000 0.000 0.265 56 L C 0.517 177.073 176.870 -0.524 0.000 1.167 56 L CA -0.198 54.327 54.840 -0.525 0.000 1.045 56 L CB -0.616 41.043 42.059 -0.667 0.000 1.351 56 L HN 0.044 nan 8.230 nan 0.000 0.419 57 N N 0.334 118.850 118.700 -0.306 0.000 2.170 57 N HA 0.100 4.840 4.740 0.000 0.000 0.222 57 N C 0.094 175.706 175.510 0.171 0.000 1.218 57 N CA -0.483 52.441 53.050 -0.210 0.000 0.889 57 N CB 0.604 39.003 38.487 -0.147 0.000 1.083 57 N HN 0.297 nan 8.380 nan 0.000 0.520 58 R N 0.246 120.824 120.500 0.132 0.000 2.562 58 R HA 0.371 4.711 4.340 0.000 0.000 0.298 58 R C 0.624 177.015 176.300 0.152 0.000 0.961 58 R CA -0.822 55.363 56.100 0.142 0.000 0.881 58 R CB 1.968 32.307 30.300 0.066 0.000 1.159 58 R HN -0.004 nan 8.270 nan 0.000 0.450 59 L N 1.364 122.645 121.223 0.098 0.000 2.129 59 L HA -0.259 4.081 4.340 0.000 0.000 0.212 59 L C 2.304 179.187 176.870 0.022 0.000 1.087 59 L CA 2.043 56.904 54.840 0.036 0.000 0.757 59 L CB -0.420 41.624 42.059 -0.024 0.000 0.896 59 L HN 0.775 nan 8.230 nan 0.000 0.434 60 S N -1.158 114.553 115.700 0.020 0.000 2.402 60 S HA -0.228 4.242 4.470 0.000 0.000 0.229 60 S C 1.749 176.342 174.600 -0.010 0.000 1.021 60 S CA 0.926 59.129 58.200 0.004 0.000 0.974 60 S CB -0.142 63.066 63.200 0.014 0.000 0.800 60 S HN 0.527 nan 8.310 nan 0.000 0.484 61 Q N -0.276 119.526 119.800 0.005 0.000 2.165 61 Q HA 0.400 4.740 4.340 0.000 0.000 0.197 61 Q C -0.357 175.628 176.000 -0.025 0.000 0.952 61 Q CA 0.506 56.304 55.803 -0.008 0.000 0.848 61 Q CB 0.184 28.892 28.738 -0.049 0.000 0.931 61 Q HN 0.471 nan 8.270 nan 0.000 0.470 62 L N 1.154 122.390 121.223 0.021 0.000 2.541 62 L HA 0.407 4.748 4.340 0.000 0.000 0.266 62 L C -1.929 175.022 176.870 0.136 0.000 0.966 62 L CA -0.340 54.548 54.840 0.080 0.000 0.871 62 L CB 1.905 43.994 42.059 0.051 0.000 1.232 62 L HN -0.105 nan 8.230 nan 0.000 0.408 63 N N 5.648 124.388 118.700 0.067 0.000 2.626 63 N HA 0.399 5.140 4.740 0.000 0.000 0.249 63 N C -0.429 175.097 175.510 0.026 0.000 1.021 63 N CA -0.245 52.818 53.050 0.021 0.000 0.886 63 N CB 0.931 39.417 38.487 -0.003 0.000 1.149 63 N HN 0.721 nan 8.380 nan 0.000 0.517 64 M N 2.626 122.232 119.600 0.011 0.000 2.475 64 M HA 0.270 4.750 4.480 0.000 0.000 0.283 64 M C 0.651 176.908 176.300 -0.072 0.000 1.165 64 M CA -0.451 54.851 55.300 0.004 0.000 0.976 64 M CB 0.456 33.085 32.600 0.048 0.000 1.428 64 M HN 0.389 nan 8.290 nan 0.000 0.495 65 I N 1.334 121.854 120.570 -0.084 0.000 2.775 65 I HA 0.012 4.183 4.170 0.000 0.000 0.290 65 I C 1.320 177.322 176.117 -0.191 0.000 1.203 65 I CA 1.456 62.685 61.300 -0.119 0.000 1.433 65 I CB 0.553 38.536 38.000 -0.027 0.000 1.354 65 I HN 0.694 nan 8.210 nan 0.000 0.579 66 G N 4.324 112.809 108.800 -0.526 0.000 2.212 66 G HA2 -0.328 3.632 3.960 0.000 0.000 0.266 66 G HA3 -0.328 3.632 3.960 0.000 0.000 0.266 66 G C 0.326 174.978 174.900 -0.414 0.000 0.978 66 G CA 0.219 44.824 45.100 -0.825 0.000 0.632 66 G HN 0.651 nan 8.290 nan 0.000 0.537 67 N N 2.315 120.870 118.700 -0.242 0.000 2.407 67 N HA 0.346 5.086 4.740 0.000 0.000 0.250 67 N C -1.669 173.774 175.510 -0.112 0.000 1.236 67 N CA -0.537 52.445 53.050 -0.113 0.000 0.879 67 N CB 0.745 39.209 38.487 -0.037 0.000 1.088 67 N HN 0.296 nan 8.380 nan 0.000 0.450 68 P HA 0.062 nan 4.420 nan 0.000 0.272 68 P C -0.750 176.557 177.300 0.011 0.000 1.230 68 P CA -0.271 62.820 63.100 -0.015 0.000 0.788 68 P CB 0.582 32.302 31.700 0.033 0.000 0.949 69 D N 0.497 120.892 120.400 -0.008 0.000 2.525 69 D HA -0.023 4.617 4.640 0.000 0.000 0.235 69 D C 0.778 177.109 176.300 0.052 0.000 1.137 69 D CA 0.915 54.906 54.000 -0.015 0.000 0.868 69 D CB -0.239 40.540 40.800 -0.034 0.000 1.180 69 D HN 0.302 nan 8.370 nan 0.000 0.465 70 S N -0.234 115.511 115.700 0.074 0.000 3.380 70 S HA -0.152 4.318 4.470 0.000 0.000 0.300 70 S C 0.888 175.877 174.600 0.649 0.000 1.255 70 S CA 0.839 59.161 58.200 0.204 0.000 0.963 70 S CB -1.214 61.940 63.200 -0.076 0.000 1.106 70 S HN 0.769 nan 8.310 nan 0.000 0.629 71 G N 0.080 109.175 108.800 0.491 0.000 2.531 71 G HA2 0.686 4.646 3.960 0.000 0.000 0.253 71 G HA3 0.686 4.646 3.960 0.000 0.000 0.253 71 G C 0.892 176.096 174.900 0.507 0.000 1.439 71 G CA 0.272 45.670 45.100 0.497 0.000 1.056 71 G HN 1.503 nan 8.290 nan 0.000 0.555 72 G N -1.953 107.002 108.800 0.259 0.000 2.514 72 G HA2 -0.151 3.809 3.960 0.000 0.000 0.265 72 G HA3 -0.151 3.809 3.960 0.000 0.000 0.265 72 G C 0.047 175.070 174.900 0.205 0.000 1.150 72 G CA 0.171 45.399 45.100 0.213 0.000 0.959 72 G HN 1.481 nan 8.290 nan 0.000 0.556 73 V N 1.707 121.702 119.914 0.136 0.000 2.370 73 V HA 0.387 4.507 4.120 0.000 0.000 0.257 73 V C 0.669 176.591 176.094 -0.287 0.000 1.064 73 V CA 0.029 62.340 62.300 0.018 0.000 0.975 73 V CB -0.246 31.558 31.823 -0.032 0.000 1.067 73 V HN 0.465 nan 8.190 nan 0.000 0.485 74 W N 2.338 123.338 121.300 -0.500 0.000 1.807 74 W HA 0.595 5.255 4.660 0.000 0.000 0.493 74 W C 0.984 177.275 176.519 -0.379 0.000 2.080 74 W CA -0.814 56.116 57.345 -0.691 0.000 2.345 74 W CB 0.047 29.319 29.460 -0.313 0.000 1.717 74 W HN 0.513 nan 8.180 nan 0.000 0.777 75 A N 3.991 126.837 122.820 0.044 0.000 2.573 75 A HA 0.177 4.497 4.320 0.000 0.000 0.250 75 A C -2.006 175.690 177.584 0.186 0.000 1.049 75 A CA -0.402 51.679 52.037 0.072 0.000 0.767 75 A CB -1.353 17.713 19.000 0.110 0.000 0.965 75 A HN 0.187 nan 8.150 nan 0.000 0.514 76 P HA 0.421 nan 4.420 nan 0.000 0.283 76 P C -1.076 176.429 177.300 0.342 0.000 1.278 76 P CA -0.248 62.983 63.100 0.219 0.000 0.834 76 P CB 1.187 32.953 31.700 0.111 0.000 1.150 77 H N 0.172 119.385 119.070 0.238 0.000 2.744 77 H HA 0.573 5.129 4.556 0.000 0.000 0.339 77 H C -1.626 173.867 175.328 0.275 0.000 1.004 77 H CA -0.719 55.500 56.048 0.285 0.000 1.257 77 H CB 0.609 30.562 29.762 0.320 0.000 1.552 77 H HN 0.169 nan 8.280 nan 0.000 0.522 78 L N 4.911 126.008 121.223 -0.211 0.000 2.307 78 L HA 0.669 5.009 4.340 0.000 0.000 0.284 78 L C -0.715 176.086 176.870 -0.115 0.000 1.023 78 L CA -0.002 54.817 54.840 -0.035 0.000 0.810 78 L CB 1.192 43.324 42.059 0.122 0.000 1.231 78 L HN 0.824 nan 8.230 nan 0.000 0.423 79 S N 3.441 119.263 115.700 0.204 0.000 2.732 79 S HA 0.686 5.156 4.470 0.000 0.000 0.293 79 S C -1.336 173.581 174.600 0.529 0.000 1.159 79 S CA -0.686 57.728 58.200 0.357 0.000 0.847 79 S CB 1.430 64.906 63.200 0.460 0.000 1.169 79 S HN 0.578 nan 8.310 nan 0.000 0.501 80 Y N 0.090 120.500 120.300 0.183 0.000 2.421 80 Y HA 0.697 5.247 4.550 0.000 0.000 0.339 80 Y C -0.624 175.165 175.900 -0.185 0.000 0.996 80 Y CA 0.023 58.104 58.100 -0.031 0.000 1.046 80 Y CB 1.952 40.228 38.460 -0.306 0.000 1.226 80 Y HN 1.064 nan 8.280 nan 0.000 0.445 81 S N 3.492 118.956 115.700 -0.394 0.000 2.552 81 S HA 0.299 4.769 4.470 0.000 0.000 0.272 81 S C -1.516 172.996 174.600 -0.147 0.000 1.150 81 S CA -0.494 57.485 58.200 -0.368 0.000 0.849 81 S CB 0.895 63.496 63.200 -0.998 0.000 1.113 81 S HN 0.850 nan 8.310 nan 0.000 0.458 82 D N 1.772 122.112 120.400 -0.101 0.000 2.737 82 D HA -0.182 4.458 4.640 0.000 0.000 0.233 82 D C 0.882 177.106 176.300 -0.126 0.000 1.155 82 D CA 2.112 56.095 54.000 -0.030 0.000 0.667 82 D CB -1.534 39.329 40.800 0.106 0.000 1.060 82 D HN 1.569 nan 8.370 nan 0.000 0.427 83 G N -0.172 108.457 108.800 -0.285 0.000 2.141 83 G HA2 -0.323 3.637 3.960 0.000 0.000 0.242 83 G HA3 -0.323 3.637 3.960 0.000 0.000 0.242 83 G C 0.178 174.740 174.900 -0.563 0.000 0.982 83 G CA 0.871 45.788 45.100 -0.305 0.000 0.662 83 G HN 0.808 nan 8.290 nan 0.000 0.527 84 K N -1.227 118.599 120.400 -0.957 0.000 2.556 84 K HA 0.739 5.059 4.320 0.000 0.000 0.274 84 K C -0.921 175.073 176.600 -1.010 0.000 0.966 84 K CA -1.361 54.392 56.287 -0.890 0.000 0.865 84 K CB 1.090 33.208 32.500 -0.637 0.000 1.444 84 K HN -0.019 nan 8.250 nan 0.000 0.433 85 F N 0.736 120.418 119.950 -0.447 0.000 2.389 85 F HA 0.382 4.909 4.527 0.000 0.000 0.337 85 F C -0.505 175.253 175.800 -0.070 0.000 1.112 85 F CA 0.219 58.191 58.000 -0.047 0.000 1.192 85 F CB 0.733 39.755 39.000 0.037 0.000 1.185 85 F HN 0.369 nan 8.300 nan 0.000 0.552 86 W N 4.988 126.514 121.300 0.377 0.000 2.538 86 W HA 0.592 5.252 4.660 0.000 0.000 0.322 86 W C -1.421 175.321 176.519 0.372 0.000 1.028 86 W CA -0.763 56.794 57.345 0.353 0.000 1.228 86 W CB 1.336 30.966 29.460 0.283 0.000 1.356 86 W HN 0.145 nan 8.180 nan 0.000 0.452 87 L N 5.926 127.478 121.223 0.550 0.000 2.325 87 L HA 0.630 4.970 4.340 0.000 0.000 0.281 87 L C -0.976 176.087 176.870 0.321 0.000 1.004 87 L CA -0.780 54.240 54.840 0.300 0.000 0.823 87 L CB 0.513 42.515 42.059 -0.094 0.000 1.236 87 L HN 0.209 nan 8.230 nan 0.000 0.415 88 I N 6.225 126.978 120.570 0.304 0.000 2.377 88 I HA 0.430 4.600 4.170 0.000 0.000 0.293 88 I C -0.455 175.838 176.117 0.293 0.000 0.987 88 I CA -0.526 60.921 61.300 0.245 0.000 1.185 88 I CB 0.831 38.958 38.000 0.212 0.000 1.341 88 I HN 0.731 nan 8.210 nan 0.000 0.455 89 Y N 2.321 122.695 120.300 0.123 0.000 2.625 89 Y HA 0.791 5.342 4.550 0.000 0.000 0.338 89 Y C -0.688 175.301 175.900 0.148 0.000 1.123 89 Y CA -1.002 57.165 58.100 0.112 0.000 1.046 89 Y CB 1.269 39.763 38.460 0.055 0.000 1.299 89 Y HN 0.440 nan 8.280 nan 0.000 0.464 90 T N 1.223 115.917 114.554 0.234 0.000 2.912 90 T HA 0.355 4.706 4.350 0.000 0.000 0.288 90 T C -1.710 173.137 174.700 0.245 0.000 1.030 90 T CA -0.589 61.579 62.100 0.114 0.000 1.020 90 T CB 1.529 70.403 68.868 0.011 0.000 1.056 90 T HN 0.671 nan 8.240 nan 0.000 0.480 91 D N 1.844 122.378 120.400 0.224 0.000 2.454 91 D HA 0.378 5.018 4.640 0.000 0.000 0.247 91 D C -0.852 175.447 176.300 -0.002 0.000 1.129 91 D CA -0.469 53.656 54.000 0.209 0.000 0.877 91 D CB 0.703 41.733 40.800 0.383 0.000 1.082 91 D HN 0.181 nan 8.370 nan 0.000 0.537 92 V N 5.496 125.313 119.914 -0.162 0.000 2.432 92 V HA 0.240 4.360 4.120 0.000 0.000 0.275 92 V C 1.272 177.266 176.094 -0.167 0.000 1.043 92 V CA -0.381 61.696 62.300 -0.373 0.000 0.925 92 V CB 1.565 32.819 31.823 -0.948 0.000 0.985 92 V HN 0.430 nan 8.190 nan 0.000 0.466 93 K N 3.009 123.305 120.400 -0.173 0.000 2.313 93 K HA 0.275 4.596 4.320 0.000 0.000 0.197 93 K C 0.003 176.563 176.600 -0.066 0.000 1.061 93 K CA 0.604 56.846 56.287 -0.076 0.000 0.980 93 K CB 0.895 33.366 32.500 -0.049 0.000 0.888 93 K HN 0.448 nan 8.250 nan 0.000 0.502 94 V N 2.066 121.910 119.914 -0.117 0.000 2.487 94 V HA 0.198 4.318 4.120 0.000 0.000 0.298 94 V C 0.464 176.520 176.094 -0.062 0.000 1.028 94 V CA -0.603 61.661 62.300 -0.060 0.000 0.860 94 V CB 1.985 33.778 31.823 -0.051 0.000 0.991 94 V HN 0.041 nan 8.190 nan 0.000 0.427 95 V N 0.726 120.670 119.914 0.050 0.000 3.337 95 V HA 0.553 4.673 4.120 0.000 0.000 0.307 95 V C 0.133 176.328 176.094 0.168 0.000 1.505 95 V CA 0.075 62.468 62.300 0.155 0.000 1.072 95 V CB 0.029 32.044 31.823 0.320 0.000 0.929 95 V HN 0.792 nan 8.190 nan 0.000 0.455 96 E N 0.402 120.681 120.200 0.131 0.000 2.367 96 E HA 0.680 5.031 4.350 0.000 0.000 0.273 96 E C 0.207 176.911 176.600 0.173 0.000 0.903 96 E CA -0.237 56.252 56.400 0.148 0.000 0.764 96 E CB 2.342 32.112 29.700 0.115 0.000 1.252 96 E HN 0.601 nan 8.360 nan 0.000 0.446 97 G N 1.240 110.153 108.800 0.189 0.000 2.545 97 G HA2 -0.249 3.711 3.960 0.000 0.000 0.216 97 G HA3 -0.249 3.711 3.960 0.000 0.000 0.216 97 G C 0.313 175.345 174.900 0.219 0.000 1.314 97 G CA -0.426 44.798 45.100 0.207 0.000 0.906 97 G HN 0.435 nan 8.290 nan 0.000 0.563 98 Q N -0.713 119.169 119.800 0.137 0.000 2.311 98 Q HA 0.077 4.417 4.340 0.000 0.000 0.203 98 Q C 0.820 176.799 176.000 -0.035 0.000 0.954 98 Q CA 1.089 56.819 55.803 -0.122 0.000 0.885 98 Q CB 0.188 28.520 28.738 -0.676 0.000 0.963 98 Q HN 0.519 nan 8.270 nan 0.000 0.471 99 W N 0.194 121.650 121.300 0.260 0.000 2.578 99 W HA 0.374 5.034 4.660 0.000 0.000 0.353 99 W C 0.473 176.786 176.519 -0.343 0.000 1.088 99 W CA -0.808 56.569 57.345 0.053 0.000 1.235 99 W CB 1.075 30.513 29.460 -0.037 0.000 1.362 99 W HN -0.228 nan 8.180 nan 0.000 0.592 100 K N 1.458 121.485 120.400 -0.622 0.000 3.278 100 K HA 0.112 4.432 4.320 0.000 0.000 0.200 100 K C -0.764 175.503 176.600 -0.554 0.000 1.107 100 K CA -0.131 55.698 56.287 -0.764 0.000 0.923 100 K CB -0.384 31.278 32.500 -1.397 0.000 0.787 100 K HN 0.135 nan 8.250 nan 0.000 0.481 101 D N 0.943 121.148 120.400 -0.325 0.000 2.586 101 D HA 0.220 4.860 4.640 0.000 0.000 0.234 101 D C 0.424 176.460 176.300 -0.440 0.000 1.132 101 D CA 1.032 54.840 54.000 -0.320 0.000 0.860 101 D CB 0.998 41.668 40.800 -0.216 0.000 1.159 101 D HN 0.495 nan 8.370 nan 0.000 0.490 102 G N 1.513 109.958 108.800 -0.592 0.000 2.632 102 G HA2 0.382 4.343 3.960 0.000 0.000 0.292 102 G HA3 0.382 4.343 3.960 0.000 0.000 0.292 102 G C -1.617 172.823 174.900 -0.766 0.000 1.465 102 G CA -0.804 43.910 45.100 -0.644 0.000 0.824 102 G HN 0.432 nan 8.290 nan 0.000 0.509 103 H N 0.827 119.819 119.070 -0.130 0.000 2.572 103 H HA 0.466 5.022 4.556 0.000 0.000 0.359 103 H C -0.589 174.435 175.328 -0.506 0.000 1.134 103 H CA -0.796 55.103 56.048 -0.248 0.000 1.187 103 H CB 2.174 31.834 29.762 -0.171 0.000 1.597 103 H HN 0.364 nan 8.280 nan 0.000 0.524 104 N N 2.111 120.492 118.700 -0.532 0.000 2.430 104 N HA 0.264 5.004 4.740 0.000 0.000 0.292 104 N C -0.908 174.106 175.510 -0.827 0.000 1.051 104 N CA -0.280 52.441 53.050 -0.549 0.000 0.917 104 N CB 1.564 39.850 38.487 -0.335 0.000 1.164 104 N HN 0.453 nan 8.380 nan 0.000 0.484 105 Y N 0.077 120.106 120.300 -0.452 0.000 2.545 105 Y HA 0.501 5.051 4.550 0.000 0.000 0.348 105 Y C -0.351 175.312 175.900 -0.395 0.000 1.002 105 Y CA -1.163 56.656 58.100 -0.469 0.000 1.039 105 Y CB 1.703 39.745 38.460 -0.696 0.000 1.271 105 Y HN 0.297 nan 8.280 nan 0.000 0.467 106 L N 3.947 125.179 121.223 0.015 0.000 2.313 106 L HA 0.881 5.221 4.340 0.000 0.000 0.283 106 L C -1.028 175.982 176.870 0.233 0.000 1.013 106 L CA -0.781 54.125 54.840 0.111 0.000 0.816 106 L CB 1.277 43.359 42.059 0.040 0.000 1.236 106 L HN 0.477 nan 8.230 nan 0.000 0.419 107 V N 1.362 121.477 119.914 0.335 0.000 2.864 107 V HA 0.973 5.093 4.120 0.000 0.000 0.314 107 V C -0.168 176.185 176.094 0.432 0.000 1.073 107 V CA 0.121 62.638 62.300 0.362 0.000 0.956 107 V CB 1.544 33.601 31.823 0.390 0.000 1.023 107 V HN 0.965 nan 8.190 nan 0.000 0.435 108 T N -0.341 114.389 114.554 0.293 0.000 2.916 108 T HA 0.797 5.147 4.350 0.000 0.000 0.292 108 T C -0.745 173.803 174.700 -0.253 0.000 1.064 108 T CA -0.637 61.465 62.100 0.004 0.000 1.011 108 T CB 1.611 70.204 68.868 -0.457 0.000 1.152 108 T HN 1.456 nan 8.240 nan 0.000 0.510 109 C N 0.968 119.857 119.300 -0.684 0.000 3.171 109 C HA 0.497 4.957 4.460 0.000 0.000 0.336 109 C C 0.630 175.315 174.990 -0.510 0.000 1.198 109 C CA -0.466 58.056 59.018 -0.827 0.000 1.319 109 C CB 1.133 27.824 27.740 -1.749 0.000 1.682 109 C HN 1.054 nan 8.230 nan 0.000 0.497 110 D N 1.230 121.418 120.400 -0.353 0.000 2.144 110 D HA 0.024 4.664 4.640 0.000 0.000 0.200 110 D C 1.240 177.509 176.300 -0.052 0.000 0.978 110 D CA 1.869 55.746 54.000 -0.205 0.000 0.833 110 D CB 0.173 40.875 40.800 -0.162 0.000 0.961 110 D HN 0.855 nan 8.370 nan 0.000 0.470 111 T N -2.446 112.038 114.554 -0.116 0.000 2.940 111 T HA 0.369 4.719 4.350 0.000 0.000 0.288 111 T C 1.069 175.621 174.700 -0.246 0.000 1.045 111 T CA -0.824 61.264 62.100 -0.020 0.000 1.018 111 T CB 1.733 70.550 68.868 -0.084 0.000 1.151 111 T HN -0.213 nan 8.240 nan 0.000 0.529 112 I N 1.063 121.423 120.570 -0.349 0.000 2.439 112 I HA -0.007 4.163 4.170 0.000 0.000 0.251 112 I C 1.217 177.230 176.117 -0.173 0.000 1.139 112 I CA 1.371 62.306 61.300 -0.608 0.000 1.438 112 I CB -0.160 37.354 38.000 -0.811 0.000 1.085 112 I HN 0.847 nan 8.210 nan 0.000 0.427 113 D N -1.298 119.018 120.400 -0.139 0.000 2.462 113 D HA 0.206 4.847 4.640 0.000 0.000 0.221 113 D C 1.042 177.315 176.300 -0.045 0.000 1.173 113 D CA 0.056 54.038 54.000 -0.029 0.000 0.831 113 D CB -0.777 39.992 40.800 -0.051 0.000 1.001 113 D HN 0.206 nan 8.370 nan 0.000 0.499 114 G N 0.342 109.041 108.800 -0.169 0.000 2.468 114 G HA2 0.439 4.399 3.960 0.000 0.000 0.264 114 G HA3 0.439 4.399 3.960 0.000 0.000 0.264 114 G C -0.266 174.578 174.900 -0.093 0.000 1.460 114 G CA -0.271 44.726 45.100 -0.170 0.000 1.060 114 G HN 0.338 nan 8.290 nan 0.000 0.543 115 A N -0.881 121.883 122.820 -0.092 0.000 2.294 115 A HA 0.533 4.853 4.320 0.000 0.000 0.316 115 A C -0.740 176.835 177.584 -0.015 0.000 1.359 115 A CA -0.598 51.443 52.037 0.008 0.000 0.956 115 A CB -0.146 18.855 19.000 0.002 0.000 1.155 115 A HN 0.438 nan 8.150 nan 0.000 0.544 116 W N 2.251 123.514 121.300 -0.063 0.000 2.137 116 W HA 0.344 5.004 4.660 0.000 0.000 0.344 116 W C 1.275 177.771 176.519 -0.038 0.000 1.286 116 W CA 0.664 57.975 57.345 -0.057 0.000 1.240 116 W CB 0.596 30.017 29.460 -0.064 0.000 1.141 116 W HN 0.823 nan 8.180 nan 0.000 0.579 117 S N 1.032 116.847 115.700 0.193 0.000 2.587 117 S HA 0.032 4.502 4.470 0.000 0.000 0.260 117 S C -0.107 174.578 174.600 0.142 0.000 1.353 117 S CA -0.778 57.493 58.200 0.117 0.000 0.995 117 S CB 0.509 63.756 63.200 0.078 0.000 0.912 117 S HN 0.393 nan 8.310 nan 0.000 0.568 118 D N 2.556 123.015 120.400 0.099 0.000 2.372 118 D HA 0.326 4.966 4.640 0.000 0.000 0.243 118 D C -2.034 174.342 176.300 0.126 0.000 1.121 118 D CA -1.087 52.970 54.000 0.095 0.000 0.898 118 D CB 0.363 41.202 40.800 0.065 0.000 1.202 118 D HN 0.420 nan 8.370 nan 0.000 0.428 119 P HA 0.135 nan 4.420 nan 0.000 0.268 119 P C -0.195 177.228 177.300 0.205 0.000 1.205 119 P CA -0.009 63.198 63.100 0.177 0.000 0.771 119 P CB 0.694 32.435 31.700 0.068 0.000 0.858 120 I N 3.512 124.221 120.570 0.230 0.000 2.315 120 I HA 0.138 4.309 4.170 0.000 0.000 0.291 120 I C 0.583 176.869 176.117 0.281 0.000 1.006 120 I CA -0.999 60.450 61.300 0.249 0.000 1.265 120 I CB 0.374 38.522 38.000 0.247 0.000 1.387 120 I HN 0.345 nan 8.210 nan 0.000 0.475 121 Y N 7.022 127.442 120.300 0.199 0.000 2.526 121 Y HA 0.135 4.685 4.550 0.000 0.000 0.330 121 Y C 0.150 176.071 175.900 0.036 0.000 1.156 121 Y CA 0.282 58.444 58.100 0.102 0.000 1.419 121 Y CB 0.682 39.190 38.460 0.079 0.000 1.250 121 Y HN 0.508 nan 8.280 nan 0.000 0.540 122 L N 3.806 124.509 121.223 -0.867 0.000 2.471 122 L HA 0.232 4.572 4.340 0.000 0.000 0.186 122 L C -0.023 176.345 176.870 -0.837 0.000 1.191 122 L CA 0.177 54.654 54.840 -0.606 0.000 0.835 122 L CB -0.166 41.666 42.059 -0.378 0.000 1.092 122 L HN 0.751 nan 8.230 nan 0.000 0.495 123 N N -2.848 115.297 118.700 -0.925 0.000 3.308 123 N HA 0.147 4.887 4.740 0.000 0.000 0.276 123 N C -0.757 174.593 175.510 -0.267 0.000 1.533 123 N CA -0.437 52.325 53.050 -0.480 0.000 0.878 123 N CB 1.353 39.735 38.487 -0.174 0.000 1.566 123 N HN -0.166 nan 8.380 nan 0.000 0.546 124 S N -1.101 114.582 115.700 -0.029 0.000 2.900 124 S HA 0.102 4.572 4.470 0.000 0.000 0.253 124 S C 0.750 175.277 174.600 -0.121 0.000 1.029 124 S CA 0.099 58.278 58.200 -0.034 0.000 1.096 124 S CB -0.304 62.975 63.200 0.132 0.000 1.067 124 S HN 0.687 nan 8.310 nan 0.000 0.610 125 S N 1.317 116.945 115.700 -0.121 0.000 2.507 125 S HA 0.401 4.871 4.470 0.000 0.000 0.235 125 S C 1.026 175.460 174.600 -0.278 0.000 0.988 125 S CA 0.495 58.558 58.200 -0.230 0.000 0.944 125 S CB 0.092 63.204 63.200 -0.147 0.000 0.762 125 S HN 0.704 nan 8.310 nan 0.000 0.526 126 G N 0.309 108.990 108.800 -0.198 0.000 2.325 126 G HA2 0.409 4.369 3.960 0.000 0.000 0.297 126 G HA3 0.409 4.369 3.960 0.000 0.000 0.297 126 G C -0.640 174.134 174.900 -0.210 0.000 1.448 126 G CA -0.735 44.217 45.100 -0.247 0.000 0.838 126 G HN 0.323 nan 8.290 nan 0.000 0.579 127 F N -0.843 119.048 119.950 -0.098 0.000 2.213 127 F HA 0.688 5.215 4.527 0.000 0.000 0.297 127 F C 0.607 176.453 175.800 0.078 0.000 1.094 127 F CA -0.124 57.842 58.000 -0.057 0.000 1.121 127 F CB 0.132 39.079 39.000 -0.089 0.000 1.622 127 F HN 0.414 nan 8.300 nan 0.000 0.521 128 D N -0.534 120.128 120.400 0.438 0.000 2.697 128 D HA -0.118 4.522 4.640 0.000 0.000 0.238 128 D C -2.521 173.844 176.300 0.107 0.000 1.152 128 D CA 0.389 54.577 54.000 0.314 0.000 0.666 128 D CB -1.774 39.240 40.800 0.357 0.000 1.037 128 D HN 0.357 nan 8.370 nan 0.000 0.423 129 P HA 0.268 nan 4.420 nan 0.000 0.275 129 P C -0.344 176.972 177.300 0.027 0.000 1.228 129 P CA -0.140 62.969 63.100 0.015 0.000 0.786 129 P CB 1.704 33.399 31.700 -0.009 0.000 0.927 130 S N 1.891 117.548 115.700 -0.071 0.000 2.548 130 S HA 0.490 4.960 4.470 0.000 0.000 0.276 130 S C -1.388 173.138 174.600 -0.122 0.000 1.129 130 S CA -0.657 57.414 58.200 -0.214 0.000 0.931 130 S CB 0.553 63.482 63.200 -0.451 0.000 1.068 130 S HN 0.325 nan 8.310 nan 0.000 0.480 131 L N 5.330 126.582 121.223 0.048 0.000 2.272 131 L HA 0.676 5.016 4.340 0.000 0.000 0.289 131 L C -1.059 175.776 176.870 -0.059 0.000 1.032 131 L CA -0.376 54.448 54.840 -0.026 0.000 0.810 131 L CB 0.723 42.730 42.059 -0.086 0.000 1.205 131 L HN 0.664 nan 8.230 nan 0.000 0.422 132 F N 4.936 124.741 119.950 -0.242 0.000 2.408 132 F HA 0.447 4.974 4.527 0.000 0.000 0.344 132 F C -0.315 175.328 175.800 -0.262 0.000 1.112 132 F CA -0.434 57.468 58.000 -0.163 0.000 1.096 132 F CB 0.552 39.532 39.000 -0.033 0.000 1.129 132 F HN 0.479 nan 8.300 nan 0.000 0.486 133 H N 4.811 123.568 119.070 -0.522 0.000 2.661 133 H HA 0.173 4.729 4.556 0.000 0.000 0.290 133 H C -0.480 174.354 175.328 -0.824 0.000 1.082 133 H CA -0.701 55.014 56.048 -0.555 0.000 1.234 133 H CB 0.780 30.355 29.762 -0.312 0.000 1.387 133 H HN 0.570 nan 8.280 nan 0.000 0.476 134 D N 1.645 121.627 120.400 -0.696 0.000 2.360 134 D HA -0.028 4.612 4.640 0.000 0.000 0.242 134 D C 1.245 177.513 176.300 -0.054 0.000 1.184 134 D CA -0.223 53.540 54.000 -0.395 0.000 0.930 134 D CB 1.203 42.038 40.800 0.058 0.000 1.161 134 D HN 0.436 nan 8.370 nan 0.000 0.447 135 E N 0.404 120.657 120.200 0.088 0.000 2.150 135 E HA -0.154 4.196 4.350 0.000 0.000 0.193 135 E C 0.961 177.605 176.600 0.074 0.000 0.985 135 E CA 0.802 57.256 56.400 0.090 0.000 0.814 135 E CB -0.144 29.626 29.700 0.117 0.000 0.752 135 E HN 0.532 nan 8.360 nan 0.000 0.466 136 D N -0.630 119.828 120.400 0.096 0.000 2.324 136 D HA 0.040 4.681 4.640 0.000 0.000 0.235 136 D C 1.330 177.661 176.300 0.052 0.000 1.095 136 D CA 0.751 54.801 54.000 0.082 0.000 0.871 136 D CB 0.039 40.908 40.800 0.115 0.000 0.906 136 D HN 0.197 nan 8.370 nan 0.000 0.522 137 G N 0.279 109.096 108.800 0.028 0.000 2.299 137 G HA2 -0.339 3.621 3.960 0.000 0.000 0.237 137 G HA3 -0.339 3.621 3.960 0.000 0.000 0.237 137 G C 0.490 175.368 174.900 -0.036 0.000 1.027 137 G CA -0.034 45.066 45.100 -0.000 0.000 0.619 137 G HN 0.489 nan 8.290 nan 0.000 0.513 138 R N 0.867 121.348 120.500 -0.031 0.000 2.734 138 R HA 0.453 4.794 4.340 0.000 0.000 0.266 138 R C 0.022 176.157 176.300 -0.275 0.000 1.044 138 R CA 0.306 56.318 56.100 -0.146 0.000 1.128 138 R CB 0.340 30.583 30.300 -0.096 0.000 1.010 138 R HN 0.123 nan 8.270 nan 0.000 0.461 139 K N 2.581 122.706 120.400 -0.458 0.000 2.259 139 K HA 0.359 4.679 4.320 0.000 0.000 0.252 139 K C -1.120 175.138 176.600 -0.569 0.000 0.936 139 K CA -0.638 55.407 56.287 -0.404 0.000 0.810 139 K CB 1.817 34.181 32.500 -0.226 0.000 1.143 139 K HN 0.458 nan 8.250 nan 0.000 0.427 140 Y N 0.778 121.046 120.300 -0.054 0.000 2.457 140 Y HA 0.375 4.925 4.550 0.000 0.000 0.343 140 Y C -0.461 175.432 175.900 -0.011 0.000 0.994 140 Y CA -1.081 57.034 58.100 0.024 0.000 1.031 140 Y CB 1.922 40.429 38.460 0.079 0.000 1.246 140 Y HN 0.385 nan 8.280 nan 0.000 0.449 141 L N 5.153 126.447 121.223 0.118 0.000 2.282 141 L HA 0.782 5.122 4.340 0.000 0.000 0.288 141 L C -0.734 176.142 176.870 0.009 0.000 1.033 141 L CA -0.669 54.185 54.840 0.023 0.000 0.807 141 L CB 0.958 43.009 42.059 -0.013 0.000 1.209 141 L HN 0.478 nan 8.230 nan 0.000 0.423 142 V N 3.390 123.276 119.914 -0.046 0.000 2.581 142 V HA 0.772 4.892 4.120 0.000 0.000 0.303 142 V C -0.668 175.377 176.094 -0.081 0.000 1.041 142 V CA -0.573 61.678 62.300 -0.082 0.000 0.907 142 V CB 1.547 33.279 31.823 -0.153 0.000 0.994 142 V HN 0.962 nan 8.190 nan 0.000 0.442 143 N N 2.808 121.477 118.700 -0.053 0.000 2.927 143 N HA 0.460 5.200 4.740 0.000 0.000 0.248 143 N C -0.784 174.708 175.510 -0.031 0.000 1.443 143 N CA -0.895 52.124 53.050 -0.052 0.000 0.870 143 N CB 2.186 40.642 38.487 -0.051 0.000 1.444 143 N HN 0.878 nan 8.380 nan 0.000 0.519 144 M N -0.447 119.100 119.600 -0.088 0.000 2.240 144 M HA 0.406 4.886 4.480 0.000 0.000 0.333 144 M C -1.136 175.142 176.300 -0.037 0.000 1.110 144 M CA 0.086 55.335 55.300 -0.085 0.000 1.173 144 M CB 0.133 32.586 32.600 -0.246 0.000 1.458 144 M HN 0.542 nan 8.290 nan 0.000 0.458 145 Y N 2.980 123.234 120.300 -0.076 0.000 2.328 145 Y HA 0.410 4.960 4.550 0.000 0.000 0.336 145 Y C -1.585 174.289 175.900 -0.043 0.000 0.960 145 Y CA -0.647 57.439 58.100 -0.024 0.000 1.134 145 Y CB 0.978 39.480 38.460 0.069 0.000 1.166 145 Y HN 0.834 nan 8.280 nan 0.000 0.464 146 W N 7.991 128.998 121.300 -0.490 0.000 2.338 146 W HA 0.258 4.918 4.660 0.000 0.000 0.307 146 W C -1.155 175.163 176.519 -0.336 0.000 1.167 146 W CA -0.393 56.710 57.345 -0.403 0.000 1.208 146 W CB 1.323 30.572 29.460 -0.353 0.000 1.228 146 W HN 0.580 nan 8.180 nan 0.000 0.499 147 D N 5.080 124.975 120.400 -0.843 0.000 2.441 147 D HA 0.018 4.658 4.640 0.000 0.000 0.231 147 D C 1.348 177.116 176.300 -0.887 0.000 1.073 147 D CA -0.153 53.436 54.000 -0.686 0.000 0.850 147 D CB 0.619 41.167 40.800 -0.420 0.000 1.062 147 D HN 0.551 nan 8.370 nan 0.000 0.524 148 H N 2.527 121.263 119.070 -0.556 0.000 2.548 148 H HA 0.157 4.713 4.556 0.000 0.000 0.268 148 H C -0.038 174.999 175.328 -0.485 0.000 0.975 148 H CA -0.088 55.630 56.048 -0.550 0.000 1.195 148 H CB 0.204 29.534 29.762 -0.721 0.000 1.397 148 H HN 0.120 nan 8.280 nan 0.000 0.572 149 R N 0.976 120.926 120.500 -0.917 0.000 2.590 149 R HA 0.069 4.410 4.340 0.000 0.000 0.274 149 R C 1.395 177.576 176.300 -0.199 0.000 1.061 149 R CA 0.067 55.819 56.100 -0.579 0.000 1.081 149 R CB 1.077 30.945 30.300 -0.720 0.000 0.984 149 R HN -0.054 nan 8.270 nan 0.000 0.448 150 V N 1.760 121.625 119.914 -0.081 0.000 2.332 150 V HA -0.246 3.874 4.120 0.000 0.000 0.248 150 V C 1.081 177.198 176.094 0.039 0.000 1.055 150 V CA 2.269 64.561 62.300 -0.015 0.000 1.038 150 V CB -0.551 31.279 31.823 0.011 0.000 0.651 150 V HN 0.888 nan 8.190 nan 0.000 0.450 151 D N -1.725 118.751 120.400 0.126 0.000 2.352 151 D HA 0.078 4.718 4.640 0.000 0.000 0.236 151 D C 0.201 176.435 176.300 -0.110 0.000 1.148 151 D CA -0.046 53.978 54.000 0.041 0.000 0.844 151 D CB -0.498 40.302 40.800 0.001 0.000 0.933 151 D HN 0.542 nan 8.370 nan 0.000 0.507 152 H N -1.446 117.577 119.070 -0.078 0.000 2.895 152 H HA 0.353 4.909 4.556 0.000 0.000 0.373 152 H C -1.101 174.197 175.328 -0.049 0.000 1.174 152 H CA -0.975 55.034 56.048 -0.065 0.000 1.144 152 H CB 1.067 30.758 29.762 -0.118 0.000 1.793 152 H HN 0.007 nan 8.280 nan 0.000 0.551 153 H N 3.326 122.404 119.070 0.015 0.000 2.767 153 H HA 0.152 4.708 4.556 0.000 0.000 0.316 153 H C -1.769 173.521 175.328 -0.063 0.000 1.059 153 H CA -2.007 54.038 56.048 -0.006 0.000 1.461 153 H CB 1.084 30.850 29.762 0.006 0.000 1.475 153 H HN 0.422 nan 8.280 nan 0.000 0.531 154 P HA -0.104 nan 4.420 nan 0.000 0.222 154 P C -0.431 176.297 177.300 -0.954 0.000 1.147 154 P CA 1.108 63.566 63.100 -1.070 0.000 0.790 154 P CB 0.116 30.904 31.700 -1.521 0.000 0.780 155 F N -1.292 118.231 119.950 -0.713 0.000 2.451 155 F HA 0.174 4.702 4.527 0.000 0.000 0.356 155 F C 1.446 177.256 175.800 0.016 0.000 1.178 155 F CA -0.690 57.178 58.000 -0.221 0.000 1.210 155 F CB -0.271 38.698 39.000 -0.051 0.000 1.504 155 F HN -0.137 nan 8.300 nan 0.000 0.598 156 Y N 2.039 122.325 120.300 -0.024 0.000 2.571 156 Y HA 0.236 4.786 4.550 0.000 0.000 0.294 156 Y C 1.333 177.254 175.900 0.034 0.000 1.141 156 Y CA 0.840 58.959 58.100 0.032 0.000 1.308 156 Y CB -0.236 38.285 38.460 0.100 0.000 1.002 156 Y HN 0.594 nan 8.280 nan 0.000 0.551 157 G N -0.267 108.608 108.800 0.125 0.000 2.280 157 G HA2 -0.020 3.940 3.960 0.000 0.000 0.277 157 G HA3 -0.020 3.940 3.960 0.000 0.000 0.277 157 G C -1.675 173.287 174.900 0.104 0.000 1.288 157 G CA -0.507 44.609 45.100 0.026 0.000 1.075 157 G HN -0.067 nan 8.290 nan 0.000 0.480 158 I N 0.959 121.575 120.570 0.077 0.000 2.362 158 I HA 0.580 4.750 4.170 0.000 0.000 0.289 158 I C 0.504 176.639 176.117 0.029 0.000 0.994 158 I CA -0.890 60.449 61.300 0.064 0.000 1.158 158 I CB 0.767 38.797 38.000 0.049 0.000 1.315 158 I HN 0.543 nan 8.210 nan 0.000 0.451 159 V N 8.077 128.018 119.914 0.044 0.000 2.617 159 V HA 0.569 4.689 4.120 0.000 0.000 0.298 159 V C -0.683 175.407 176.094 -0.008 0.000 1.048 159 V CA -0.516 61.798 62.300 0.023 0.000 0.964 159 V CB 2.318 34.206 31.823 0.108 0.000 1.004 159 V HN 0.637 nan 8.190 nan 0.000 0.466 160 L N 5.510 126.720 121.223 -0.023 0.000 2.408 160 L HA 0.681 5.021 4.340 0.000 0.000 0.268 160 L C -0.785 176.115 176.870 0.051 0.000 0.986 160 L CA -0.127 54.682 54.840 -0.051 0.000 0.820 160 L CB 1.783 43.695 42.059 -0.245 0.000 1.303 160 L HN 0.824 nan 8.230 nan 0.000 0.411 161 Q N 2.795 122.661 119.800 0.110 0.000 2.340 161 Q HA 0.263 4.603 4.340 0.000 0.000 0.276 161 Q C -1.551 174.582 176.000 0.222 0.000 1.048 161 Q CA -0.697 55.213 55.803 0.179 0.000 0.832 161 Q CB 2.271 31.086 28.738 0.130 0.000 1.373 161 Q HN 0.693 nan 8.270 nan 0.000 0.409 162 E N 2.282 122.617 120.200 0.226 0.000 2.344 162 E HA 0.035 4.386 4.350 0.000 0.000 0.270 162 E C -1.585 175.010 176.600 -0.008 0.000 1.021 162 E CA -0.122 56.272 56.400 -0.010 0.000 0.887 162 E CB 0.618 30.272 29.700 -0.076 0.000 0.997 162 E HN 0.471 nan 8.360 nan 0.000 0.429 163 Y N 3.494 123.676 120.300 -0.197 0.000 2.328 163 Y HA 0.201 4.751 4.550 0.000 0.000 0.337 163 Y C -0.397 175.427 175.900 -0.127 0.000 1.008 163 Y CA -0.559 57.468 58.100 -0.121 0.000 1.129 163 Y CB 1.468 39.867 38.460 -0.101 0.000 1.185 163 Y HN 0.370 nan 8.280 nan 0.000 0.476 164 S N 5.561 120.861 115.700 -0.667 0.000 2.411 164 S HA 0.225 4.695 4.470 0.000 0.000 0.294 164 S C 0.739 174.898 174.600 -0.735 0.000 1.115 164 S CA -0.612 57.275 58.200 -0.522 0.000 1.071 164 S CB 0.320 63.337 63.200 -0.304 0.000 0.967 164 S HN 0.745 nan 8.310 nan 0.000 0.488 165 V N 5.109 124.808 119.914 -0.359 0.000 2.332 165 V HA -0.145 3.975 4.120 0.000 0.000 0.248 165 V C 2.503 178.570 176.094 -0.045 0.000 1.055 165 V CA 2.403 64.676 62.300 -0.046 0.000 1.038 165 V CB -0.814 31.125 31.823 0.195 0.000 0.651 165 V HN 0.927 nan 8.190 nan 0.000 0.450 166 E N 0.249 120.406 120.200 -0.072 0.000 2.031 166 E HA -0.239 4.112 4.350 0.000 0.000 0.193 166 E C 2.205 178.772 176.600 -0.055 0.000 0.994 166 E CA 1.584 57.959 56.400 -0.041 0.000 0.800 166 E CB -0.207 29.469 29.700 -0.039 0.000 0.752 166 E HN 0.660 nan 8.360 nan 0.000 0.447 167 Q N -0.044 119.693 119.800 -0.105 0.000 2.435 167 Q HA 0.021 4.361 4.340 0.000 0.000 0.207 167 Q C -0.123 175.832 176.000 -0.075 0.000 0.956 167 Q CA 0.443 56.197 55.803 -0.082 0.000 0.917 167 Q CB 0.173 28.858 28.738 -0.087 0.000 0.997 167 Q HN 0.179 nan 8.270 nan 0.000 0.497 168 K N 1.310 121.632 120.400 -0.131 0.000 3.150 168 K HA -0.218 4.102 4.320 0.000 0.000 0.267 168 K C -0.759 175.869 176.600 0.046 0.000 1.028 168 K CA 0.951 57.231 56.287 -0.012 0.000 0.753 168 K CB -1.433 31.134 32.500 0.111 0.000 1.288 168 K HN 0.377 nan 8.250 nan 0.000 0.473 169 K N -1.333 118.969 120.400 -0.162 0.000 2.607 169 K HA 0.402 4.722 4.320 0.000 0.000 0.287 169 K C -0.780 175.795 176.600 -0.042 0.000 0.996 169 K CA -1.218 55.089 56.287 0.033 0.000 0.876 169 K CB 0.973 33.500 32.500 0.045 0.000 1.496 169 K HN -0.031 nan 8.250 nan 0.000 0.415 170 L N 2.031 123.328 121.223 0.124 0.000 2.453 170 L HA 0.306 4.646 4.340 0.000 0.000 0.272 170 L C 0.334 177.223 176.870 0.032 0.000 1.182 170 L CA -0.577 54.322 54.840 0.098 0.000 0.858 170 L CB 0.834 42.958 42.059 0.109 0.000 1.120 170 L HN 0.556 nan 8.230 nan 0.000 0.474 171 V N -0.108 119.814 119.914 0.015 0.000 3.113 171 V HA 1.025 5.145 4.120 0.000 0.000 0.316 171 V C 0.479 176.601 176.094 0.047 0.000 1.125 171 V CA 0.057 62.364 62.300 0.012 0.000 1.026 171 V CB 1.058 32.865 31.823 -0.027 0.000 1.080 171 V HN 1.014 nan 8.190 nan 0.000 0.444 172 G N 0.953 109.780 108.800 0.044 0.000 2.552 172 G HA2 -0.126 3.834 3.960 0.000 0.000 0.265 172 G HA3 -0.126 3.834 3.960 0.000 0.000 0.265 172 G C -0.375 174.567 174.900 0.069 0.000 1.234 172 G CA 0.489 45.624 45.100 0.059 0.000 0.944 172 G HN 1.144 nan 8.290 nan 0.000 0.568 173 E N 1.557 121.807 120.200 0.083 0.000 2.210 173 E HA 0.481 4.831 4.350 0.000 0.000 0.266 173 E C -2.295 174.374 176.600 0.114 0.000 0.883 173 E CA -1.473 54.975 56.400 0.081 0.000 0.761 173 E CB 2.312 32.044 29.700 0.054 0.000 1.156 173 E HN 0.393 nan 8.360 nan 0.000 0.412 174 P HA 0.181 nan 4.420 nan 0.000 0.271 174 P C -0.612 176.740 177.300 0.087 0.000 1.216 174 P CA -0.248 62.916 63.100 0.107 0.000 0.776 174 P CB 0.963 32.722 31.700 0.098 0.000 0.881 175 K N 2.629 123.103 120.400 0.123 0.000 2.427 175 K HA 0.443 4.763 4.320 0.000 0.000 0.252 175 K C -0.144 176.488 176.600 0.054 0.000 0.931 175 K CA -0.966 55.395 56.287 0.123 0.000 0.793 175 K CB 2.059 34.745 32.500 0.310 0.000 1.211 175 K HN 0.368 nan 8.250 nan 0.000 0.426 176 I N 4.768 125.341 120.570 0.004 0.000 2.471 176 I HA 0.087 4.257 4.170 0.000 0.000 0.286 176 I C 1.639 177.788 176.117 0.053 0.000 1.079 176 I CA 0.199 61.492 61.300 -0.012 0.000 1.398 176 I CB 0.162 38.127 38.000 -0.059 0.000 1.403 176 I HN 0.653 nan 8.210 nan 0.000 0.530 177 I N 3.017 123.621 120.570 0.058 0.000 4.181 177 I HA 0.364 4.534 4.170 0.000 0.000 0.331 177 I C -0.223 176.033 176.117 0.233 0.000 1.312 177 I CA 0.175 61.556 61.300 0.134 0.000 1.146 177 I CB 0.706 38.736 38.000 0.049 0.000 1.074 177 I HN 0.294 nan 8.210 nan 0.000 0.402 178 F N 1.775 121.685 119.950 -0.067 0.000 2.639 178 F HA 0.443 4.970 4.527 0.000 0.000 0.326 178 F C 0.041 175.792 175.800 -0.081 0.000 1.150 178 F CA -0.929 57.021 58.000 -0.084 0.000 1.057 178 F CB 1.537 40.413 39.000 -0.207 0.000 1.300 178 F HN -0.269 nan 8.300 nan 0.000 0.486 179 K N 3.262 123.303 120.400 -0.598 0.000 2.352 179 K HA 0.493 4.813 4.320 0.000 0.000 0.194 179 K C 0.768 176.957 176.600 -0.684 0.000 1.038 179 K CA 0.754 56.731 56.287 -0.516 0.000 1.023 179 K CB 0.074 32.349 32.500 -0.374 0.000 0.840 179 K HN 1.000 nan 8.250 nan 0.000 0.519 180 G N 0.981 108.931 108.800 -1.417 0.000 2.592 180 G HA2 -0.217 3.743 3.960 0.000 0.000 0.684 180 G HA3 -0.217 3.743 3.960 0.000 0.000 0.684 180 G C -0.133 174.440 174.900 -0.545 0.000 1.291 180 G CA -0.353 44.144 45.100 -1.005 0.000 0.891 180 G HN 0.183 nan 8.290 nan 0.000 0.544 181 T N -2.963 111.458 114.554 -0.222 0.000 2.893 181 T HA 0.576 4.926 4.350 0.000 0.000 0.279 181 T C 1.358 175.962 174.700 -0.159 0.000 0.991 181 T CA 0.840 62.860 62.100 -0.133 0.000 0.950 181 T CB 1.455 70.296 68.868 -0.045 0.000 1.223 181 T HN 1.150 nan 8.240 nan 0.000 0.585 182 D N -0.068 120.245 120.400 -0.145 0.000 2.350 182 D HA -0.063 4.577 4.640 0.000 0.000 0.216 182 D C 1.841 178.027 176.300 -0.190 0.000 0.968 182 D CA 0.552 54.452 54.000 -0.167 0.000 0.894 182 D CB -0.672 40.042 40.800 -0.144 0.000 0.909 182 D HN 0.511 nan 8.370 nan 0.000 0.520 183 L N -0.682 120.438 121.223 -0.171 0.000 2.131 183 L HA -0.099 4.242 4.340 0.000 0.000 0.210 183 L C 1.213 177.967 176.870 -0.194 0.000 1.092 183 L CA 0.541 55.272 54.840 -0.182 0.000 0.759 183 L CB -0.287 41.687 42.059 -0.141 0.000 0.903 183 L HN -0.017 nan 8.230 nan 0.000 0.435 184 R N -1.201 119.186 120.500 -0.188 0.000 3.819 184 R HA -0.256 4.084 4.340 0.000 0.000 0.488 184 R C 0.820 177.052 176.300 -0.114 0.000 0.241 184 R CA 1.213 57.199 56.100 -0.190 0.000 1.530 184 R CB -1.338 28.667 30.300 -0.492 0.000 1.019 184 R HN 0.313 nan 8.270 nan 0.000 0.557 185 I N -0.909 119.658 120.570 -0.006 0.000 6.532 185 I HA -0.267 3.904 4.170 0.000 0.000 0.126 185 I C 0.082 176.003 176.117 -0.326 0.000 1.811 185 I CA 1.242 62.157 61.300 -0.640 0.000 2.115 185 I CB -2.003 35.647 38.000 -0.584 0.000 3.474 185 I HN 0.476 nan 8.210 nan 0.000 0.192 186 T N 3.011 117.596 114.554 0.052 0.000 2.799 186 T HA 0.374 4.724 4.350 0.000 0.000 0.296 186 T C 0.516 175.398 174.700 0.303 0.000 0.947 186 T CA 0.100 62.294 62.100 0.157 0.000 1.141 186 T CB 0.806 69.742 68.868 0.114 0.000 0.891 186 T HN 0.697 nan 8.240 nan 0.000 0.533 187 E N 1.444 121.783 120.200 0.232 0.000 2.391 187 E HA 0.577 4.927 4.350 0.000 0.000 0.256 187 E C 0.301 176.933 176.600 0.054 0.000 0.975 187 E CA -1.418 55.130 56.400 0.246 0.000 0.881 187 E CB 0.250 30.253 29.700 0.504 0.000 1.728 187 E HN 0.541 nan 8.360 nan 0.000 0.446 188 G N 1.952 110.754 108.800 0.003 0.000 2.412 188 G HA2 -0.187 3.774 3.960 0.000 0.000 0.297 188 G HA3 -0.187 3.774 3.960 0.000 0.000 0.297 188 G C -2.216 172.429 174.900 -0.426 0.000 0.965 188 G CA 0.301 45.192 45.100 -0.349 0.000 1.134 188 G HN 0.382 nan 8.290 nan 0.000 0.511 189 P HA 0.238 nan 4.420 nan 0.000 0.276 189 P C -0.317 176.623 177.300 -0.599 0.000 1.230 189 P CA 0.354 63.244 63.100 -0.350 0.000 0.776 189 P CB 0.967 32.531 31.700 -0.226 0.000 0.888 190 H N 2.053 121.029 119.070 -0.157 0.000 2.771 190 H HA 0.416 4.972 4.556 0.000 0.000 0.361 190 H C -0.285 174.801 175.328 -0.402 0.000 1.108 190 H CA -0.640 55.246 56.048 -0.269 0.000 1.201 190 H CB 1.689 31.382 29.762 -0.116 0.000 1.681 190 H HN 0.311 nan 8.280 nan 0.000 0.534 191 L N 3.308 124.251 121.223 -0.467 0.000 2.317 191 L HA 0.411 4.751 4.340 0.000 0.000 0.281 191 L C -1.022 175.436 176.870 -0.687 0.000 1.024 191 L CA -0.736 53.742 54.840 -0.604 0.000 0.810 191 L CB 0.922 42.391 42.059 -0.984 0.000 1.240 191 L HN 0.487 nan 8.230 nan 0.000 0.427 192 Y N 1.457 121.797 120.300 0.067 0.000 2.421 192 Y HA 0.378 4.928 4.550 0.000 0.000 0.339 192 Y C -0.311 175.826 175.900 0.395 0.000 0.996 192 Y CA -1.129 57.164 58.100 0.321 0.000 1.046 192 Y CB 1.804 40.485 38.460 0.368 0.000 1.226 192 Y HN 0.318 nan 8.280 nan 0.000 0.445 193 K N 3.845 124.623 120.400 0.631 0.000 2.268 193 K HA 0.646 4.966 4.320 0.000 0.000 0.276 193 K C -1.708 175.126 176.600 0.391 0.000 1.080 193 K CA 0.075 56.633 56.287 0.453 0.000 0.910 193 K CB -0.050 32.727 32.500 0.462 0.000 1.163 193 K HN 0.689 nan 8.250 nan 0.000 0.465 194 I N 4.915 125.708 120.570 0.371 0.000 2.534 194 I HA 0.312 4.482 4.170 0.000 0.000 0.288 194 I C -0.123 176.123 176.117 0.215 0.000 1.077 194 I CA -0.802 60.647 61.300 0.249 0.000 1.051 194 I CB 1.736 39.765 38.000 0.047 0.000 1.234 194 I HN 0.776 nan 8.210 nan 0.000 0.425 195 N N 3.519 122.255 118.700 0.060 0.000 1.175 195 N HA -0.226 4.514 4.740 0.000 0.000 0.114 195 N C 1.097 176.546 175.510 -0.101 0.000 0.804 195 N CA 1.569 54.607 53.050 -0.021 0.000 0.858 195 N CB -0.957 37.523 38.487 -0.012 0.000 1.032 195 N HN 0.927 nan 8.380 nan 0.000 0.617 196 G N -1.137 107.493 108.800 -0.284 0.000 3.026 196 G HA2 0.228 4.188 3.960 0.000 0.000 0.208 196 G HA3 0.228 4.188 3.960 0.000 0.000 0.208 196 G C -0.380 174.219 174.900 -0.502 0.000 1.169 196 G CA 0.447 45.295 45.100 -0.419 0.000 0.788 196 G HN 0.381 nan 8.290 nan 0.000 0.533 197 Y N -0.986 119.202 120.300 -0.187 0.000 2.446 197 Y HA 0.544 5.094 4.550 0.000 0.000 0.338 197 Y C -0.655 175.079 175.900 -0.276 0.000 1.055 197 Y CA -1.831 56.090 58.100 -0.298 0.000 1.101 197 Y CB 1.244 39.400 38.460 -0.506 0.000 1.221 197 Y HN 0.019 nan 8.280 nan 0.000 0.460 198 Y N 1.858 122.205 120.300 0.078 0.000 2.383 198 Y HA 0.291 4.841 4.550 0.000 0.000 0.344 198 Y C -0.898 175.043 175.900 0.068 0.000 0.986 198 Y CA -0.862 57.296 58.100 0.096 0.000 1.175 198 Y CB 0.055 38.527 38.460 0.020 0.000 1.152 198 Y HN 0.427 nan 8.280 nan 0.000 0.511 199 Y N 3.861 124.342 120.300 0.302 0.000 2.326 199 Y HA 0.369 4.919 4.550 0.000 0.000 0.337 199 Y C -0.360 175.645 175.900 0.175 0.000 1.023 199 Y CA -0.852 57.395 58.100 0.246 0.000 1.143 199 Y CB 1.061 39.670 38.460 0.249 0.000 1.183 199 Y HN 0.457 nan 8.280 nan 0.000 0.485 200 L N 5.873 127.158 121.223 0.104 0.000 2.276 200 L HA 0.501 4.841 4.340 0.000 0.000 0.286 200 L C -1.387 175.400 176.870 -0.139 0.000 1.024 200 L CA -0.695 54.017 54.840 -0.212 0.000 0.826 200 L CB 0.588 42.150 42.059 -0.827 0.000 1.211 200 L HN 0.595 nan 8.230 nan 0.000 0.422 201 L N 5.488 126.740 121.223 0.049 0.000 2.292 201 L HA 0.737 5.077 4.340 0.000 0.000 0.284 201 L C 0.061 176.915 176.870 -0.027 0.000 1.065 201 L CA 0.489 55.382 54.840 0.088 0.000 0.806 201 L CB 1.334 43.587 42.059 0.323 0.000 1.175 201 L HN 0.866 nan 8.230 nan 0.000 0.431 202 T N 2.075 116.606 114.554 -0.038 0.000 2.901 202 T HA 0.894 5.244 4.350 0.000 0.000 0.293 202 T C -0.490 174.200 174.700 -0.018 0.000 1.084 202 T CA -0.563 61.520 62.100 -0.028 0.000 1.008 202 T CB 1.455 70.368 68.868 0.075 0.000 1.170 202 T HN 0.832 nan 8.240 nan 0.000 0.509 203 A N 0.990 123.789 122.820 -0.035 0.000 2.301 203 A HA 0.755 5.075 4.320 0.000 0.000 0.312 203 A C -0.123 177.518 177.584 0.095 0.000 1.182 203 A CA -0.663 51.385 52.037 0.017 0.000 0.826 203 A CB 0.454 19.497 19.000 0.072 0.000 1.134 203 A HN 0.867 nan 8.150 nan 0.000 0.501 204 E N 0.010 120.266 120.200 0.093 0.000 2.416 204 E HA 0.562 4.912 4.350 0.000 0.000 0.273 204 E C 0.419 177.072 176.600 0.088 0.000 0.935 204 E CA -0.485 55.952 56.400 0.063 0.000 0.784 204 E CB 1.843 31.552 29.700 0.016 0.000 1.301 204 E HN 1.438 nan 8.360 nan 0.000 0.454 205 G N 0.452 109.244 108.800 -0.014 0.000 2.179 205 G HA2 -0.136 3.824 3.960 0.000 0.000 0.260 205 G HA3 -0.136 3.824 3.960 0.000 0.000 0.260 205 G C 0.566 175.457 174.900 -0.014 0.000 0.977 205 G CA 0.325 45.401 45.100 -0.039 0.000 0.641 205 G HN 1.282 nan 8.290 nan 0.000 0.533 206 G N -2.083 106.709 108.800 -0.014 0.000 2.716 206 G HA2 0.210 4.170 3.960 0.000 0.000 0.686 206 G HA3 0.210 4.170 3.960 0.000 0.000 0.686 206 G C 0.424 175.169 174.900 -0.259 0.000 1.337 206 G CA 0.712 45.765 45.100 -0.077 0.000 0.829 206 G HN 1.610 nan 8.290 nan 0.000 0.599 207 T N 1.202 115.525 114.554 -0.386 0.000 3.284 207 T HA 0.161 4.512 4.350 0.000 0.000 0.252 207 T C 1.647 176.140 174.700 -0.344 0.000 1.144 207 T CA 1.656 63.313 62.100 -0.740 0.000 1.021 207 T CB -0.384 68.265 68.868 -0.365 0.000 0.984 207 T HN 0.572 nan 8.240 nan 0.000 0.545 208 R N -0.793 119.587 120.500 -0.200 0.000 2.417 208 R HA 0.298 4.638 4.340 0.000 0.000 0.189 208 R C 0.977 177.163 176.300 -0.189 0.000 1.249 208 R CA -0.467 55.504 56.100 -0.215 0.000 1.171 208 R CB -0.230 30.018 30.300 -0.086 0.000 2.071 208 R HN 0.210 nan 8.270 nan 0.000 0.537 209 Y N 0.734 121.090 120.300 0.093 0.000 2.571 209 Y HA 0.007 4.558 4.550 0.000 0.000 0.294 209 Y C 1.342 177.416 175.900 0.289 0.000 1.141 209 Y CA 0.974 59.176 58.100 0.171 0.000 1.308 209 Y CB -0.365 38.169 38.460 0.124 0.000 1.002 209 Y HN 0.467 nan 8.280 nan 0.000 0.551 210 N N -1.473 117.401 118.700 0.290 0.000 2.336 210 N HA -0.048 4.692 4.740 0.000 0.000 0.189 210 N C 0.096 175.697 175.510 0.151 0.000 1.113 210 N CA -0.117 53.016 53.050 0.137 0.000 0.858 210 N CB -0.058 38.379 38.487 -0.083 0.000 0.970 210 N HN 0.386 nan 8.380 nan 0.000 0.471 211 H N 0.888 120.010 119.070 0.086 0.000 3.038 211 H HA 0.217 4.773 4.556 0.000 0.000 0.338 211 H C -0.340 175.031 175.328 0.072 0.000 1.041 211 H CA -0.226 55.863 56.048 0.069 0.000 1.394 211 H CB 0.531 30.345 29.762 0.086 0.000 1.357 211 H HN 0.172 nan 8.280 nan 0.000 0.600 212 A N 2.729 125.550 122.820 0.002 0.000 2.606 212 A HA 0.643 4.963 4.320 0.000 0.000 0.293 212 A C -1.461 176.026 177.584 -0.162 0.000 1.082 212 A CA -0.152 51.834 52.037 -0.085 0.000 0.685 212 A CB 1.392 20.375 19.000 -0.028 0.000 1.284 212 A HN 0.793 nan 8.150 nan 0.000 0.408 213 A N 0.697 123.433 122.820 -0.140 0.000 2.288 213 A HA 0.756 5.076 4.320 0.000 0.000 0.320 213 A C -0.067 177.463 177.584 -0.089 0.000 1.217 213 A CA -0.273 51.703 52.037 -0.102 0.000 0.840 213 A CB 0.482 19.428 19.000 -0.091 0.000 1.179 213 A HN 0.836 nan 8.150 nan 0.000 0.504 214 T N 2.460 116.985 114.554 -0.049 0.000 2.855 214 T HA 0.622 4.972 4.350 0.000 0.000 0.281 214 T C -0.648 174.032 174.700 -0.034 0.000 1.007 214 T CA -0.096 61.981 62.100 -0.039 0.000 1.009 214 T CB 0.980 69.872 68.868 0.040 0.000 0.983 214 T HN 0.586 nan 8.240 nan 0.000 0.455 215 I N 1.962 122.515 120.570 -0.027 0.000 2.647 215 I HA 0.776 4.946 4.170 0.000 0.000 0.295 215 I C -1.065 175.131 176.117 0.131 0.000 1.078 215 I CA -0.630 60.706 61.300 0.059 0.000 1.048 215 I CB 1.393 39.483 38.000 0.149 0.000 1.239 215 I HN 0.781 nan 8.210 nan 0.000 0.421 216 A N 6.784 129.667 122.820 0.105 0.000 2.527 216 A HA 0.921 5.241 4.320 0.000 0.000 0.293 216 A C -1.309 176.399 177.584 0.207 0.000 1.117 216 A CA -0.750 51.396 52.037 0.181 0.000 0.723 216 A CB 1.872 20.795 19.000 -0.128 0.000 1.313 216 A HN 0.778 nan 8.150 nan 0.000 0.411 217 R N -0.207 120.355 120.500 0.104 0.000 2.771 217 R HA 0.869 5.209 4.340 0.000 0.000 0.274 217 R C -1.090 175.018 176.300 -0.320 0.000 0.987 217 R CA -0.239 55.642 56.100 -0.365 0.000 0.908 217 R CB 1.855 31.324 30.300 -1.386 0.000 1.213 217 R HN 0.918 nan 8.270 nan 0.000 0.468 218 S N -0.539 114.917 115.700 -0.406 0.000 2.570 218 S HA 0.263 4.733 4.470 0.000 0.000 0.270 218 S C 0.305 174.871 174.600 -0.058 0.000 1.149 218 S CA -0.108 57.855 58.200 -0.396 0.000 0.837 218 S CB 1.790 64.357 63.200 -1.055 0.000 1.124 218 S HN 0.757 nan 8.310 nan 0.000 0.465 219 T N -0.524 114.027 114.554 -0.005 0.000 3.067 219 T HA 0.245 4.595 4.350 0.000 0.000 0.257 219 T C 0.833 175.604 174.700 0.117 0.000 1.105 219 T CA 0.535 62.642 62.100 0.011 0.000 1.104 219 T CB -0.050 68.788 68.868 -0.050 0.000 0.925 219 T HN 0.454 nan 8.240 nan 0.000 0.498 220 S N 0.564 116.295 115.700 0.052 0.000 2.462 220 S HA 0.457 4.927 4.470 0.000 0.000 0.294 220 S C 0.788 175.364 174.600 -0.039 0.000 1.144 220 S CA -0.914 57.335 58.200 0.081 0.000 1.088 220 S CB 1.122 64.340 63.200 0.030 0.000 1.009 220 S HN 0.245 nan 8.310 nan 0.000 0.484 221 L N 5.419 126.522 121.223 -0.200 0.000 2.261 221 L HA 0.031 4.372 4.340 0.000 0.000 0.216 221 L C 0.710 177.381 176.870 -0.331 0.000 1.114 221 L CA 1.921 56.396 54.840 -0.608 0.000 0.777 221 L CB -0.536 40.954 42.059 -0.947 0.000 0.910 221 L HN 0.871 nan 8.230 nan 0.000 0.440 222 Y N -0.675 119.558 120.300 -0.111 0.000 2.485 222 Y HA 0.479 5.029 4.550 0.000 0.000 0.260 222 Y C 1.481 177.414 175.900 0.055 0.000 1.173 222 Y CA 0.135 58.236 58.100 0.001 0.000 1.252 222 Y CB -0.222 38.223 38.460 -0.025 0.000 1.123 222 Y HN 0.200 nan 8.280 nan 0.000 0.524 223 G N 1.175 109.976 108.800 0.001 0.000 2.725 223 G HA2 -0.202 3.758 3.960 0.000 0.000 0.220 223 G HA3 -0.202 3.758 3.960 0.000 0.000 0.220 223 G C -2.638 172.234 174.900 -0.047 0.000 1.357 223 G CA -1.015 44.014 45.100 -0.119 0.000 0.866 223 G HN 0.046 nan 8.290 nan 0.000 0.548 224 P HA 0.425 nan 4.420 nan 0.000 0.275 224 P C -1.054 176.227 177.300 -0.031 0.000 1.227 224 P CA 0.018 63.150 63.100 0.053 0.000 0.781 224 P CB 0.389 32.127 31.700 0.062 0.000 0.906 225 Y N 0.855 121.210 120.300 0.092 0.000 2.327 225 Y HA 0.156 4.706 4.550 0.000 0.000 0.336 225 Y C 1.386 177.347 175.900 0.101 0.000 1.035 225 Y CA -0.244 57.886 58.100 0.050 0.000 1.165 225 Y CB 0.839 39.272 38.460 -0.045 0.000 1.181 225 Y HN 0.404 nan 8.280 nan 0.000 0.494 226 E N 1.810 122.118 120.200 0.180 0.000 2.283 226 E HA 0.503 4.854 4.350 0.000 0.000 0.278 226 E C -1.124 175.631 176.600 0.258 0.000 1.027 226 E CA -0.824 55.692 56.400 0.193 0.000 0.843 226 E CB 1.364 31.160 29.700 0.161 0.000 1.062 226 E HN 0.259 nan 8.360 nan 0.000 0.401 227 V N 3.105 123.107 119.914 0.146 0.000 2.607 227 V HA -0.007 4.113 4.120 0.000 0.000 0.289 227 V C 0.726 176.618 176.094 -0.336 0.000 1.053 227 V CA -0.699 61.621 62.300 0.032 0.000 0.996 227 V CB 0.890 32.749 31.823 0.059 0.000 0.995 227 V HN 0.743 nan 8.190 nan 0.000 0.476 228 H N 7.631 126.228 119.070 -0.788 0.000 3.212 228 H HA -0.060 4.496 4.556 0.000 0.000 0.292 228 H C -1.415 173.377 175.328 -0.893 0.000 0.922 228 H CA -0.449 54.734 56.048 -1.442 0.000 1.389 228 H CB 1.222 30.494 29.762 -0.816 0.000 1.321 228 H HN 0.439 nan 8.280 nan 0.000 0.563 229 P HA -0.087 nan 4.420 nan 0.000 0.222 229 P C 0.133 177.350 177.300 -0.138 0.000 1.147 229 P CA 1.111 63.979 63.100 -0.388 0.000 0.790 229 P CB 0.521 32.005 31.700 -0.361 0.000 0.780 230 D N -0.694 119.728 120.400 0.036 0.000 2.643 230 D HA 0.085 4.725 4.640 0.000 0.000 0.244 230 D C 0.216 176.446 176.300 -0.117 0.000 1.257 230 D CA -0.408 53.617 54.000 0.041 0.000 0.831 230 D CB -0.546 40.361 40.800 0.178 0.000 1.043 230 D HN 0.089 nan 8.370 nan 0.000 0.488 231 N N 2.798 121.403 118.700 -0.159 0.000 2.395 231 N HA 0.026 4.766 4.740 0.000 0.000 0.246 231 N C -2.166 173.260 175.510 -0.139 0.000 1.246 231 N CA -0.485 52.429 53.050 -0.227 0.000 0.879 231 N CB 0.620 39.018 38.487 -0.148 0.000 1.098 231 N HN -0.038 nan 8.380 nan 0.000 0.444 232 P HA 0.014 nan 4.420 nan 0.000 0.275 232 P C 0.705 177.840 177.300 -0.276 0.000 1.228 232 P CA -0.367 62.633 63.100 -0.167 0.000 0.786 232 P CB 0.783 32.429 31.700 -0.090 0.000 0.927 233 L N 2.219 123.230 121.223 -0.354 0.000 2.083 233 L HA 0.034 4.374 4.340 0.000 0.000 0.209 233 L C 0.622 177.343 176.870 -0.247 0.000 1.083 233 L CA 1.847 56.431 54.840 -0.427 0.000 0.752 233 L CB -0.441 41.401 42.059 -0.362 0.000 0.899 233 L HN 0.418 nan 8.230 nan 0.000 0.433 234 L N -1.592 119.528 121.223 -0.171 0.000 2.513 234 L HA 0.620 4.961 4.340 0.000 0.000 0.261 234 L C -0.973 175.852 176.870 -0.075 0.000 0.945 234 L CA 0.265 55.026 54.840 -0.131 0.000 0.848 234 L CB 1.993 43.935 42.059 -0.196 0.000 1.334 234 L HN -0.040 nan 8.230 nan 0.000 0.407 235 T N 1.231 115.793 114.554 0.014 0.000 2.907 235 T HA 0.394 4.744 4.350 0.000 0.000 0.344 235 T C -0.186 174.660 174.700 0.243 0.000 1.675 235 T CA 0.162 62.325 62.100 0.104 0.000 1.076 235 T CB 1.242 70.192 68.868 0.136 0.000 1.483 235 T HN 0.587 nan 8.240 nan 0.000 0.487 236 S N 1.425 117.283 115.700 0.264 0.000 2.540 236 S HA 0.113 4.583 4.470 0.000 0.000 0.218 236 S C 1.168 175.937 174.600 0.282 0.000 0.977 236 S CA -0.364 58.045 58.200 0.349 0.000 0.918 236 S CB -0.146 63.217 63.200 0.273 0.000 0.806 236 S HN 0.746 nan 8.310 nan 0.000 0.496 237 W N 4.371 125.717 121.300 0.077 0.000 2.335 237 W HA -0.081 4.580 4.660 0.000 0.000 0.311 237 W C -1.758 174.685 176.519 -0.126 0.000 1.213 237 W CA 1.451 58.803 57.345 0.010 0.000 1.274 237 W CB -1.035 28.425 29.460 -0.000 0.000 1.148 237 W HN 0.186 nan 8.180 nan 0.000 0.498 238 P HA 0.006 nan 4.420 nan 0.000 0.255 238 P C -1.161 175.563 177.300 -0.960 0.000 1.301 238 P CA 0.879 63.412 63.100 -0.945 0.000 0.817 238 P CB -0.460 30.782 31.700 -0.764 0.000 1.259 239 Y N 0.161 120.356 120.300 -0.175 0.000 2.658 239 Y HA 0.309 4.859 4.550 0.000 0.000 0.362 239 Y C -1.526 174.316 175.900 -0.097 0.000 1.017 239 Y CA -2.892 55.145 58.100 -0.105 0.000 1.134 239 Y CB 0.606 39.045 38.460 -0.035 0.000 1.144 239 Y HN -0.020 nan 8.280 nan 0.000 0.655 240 P HA -0.078 nan 4.420 nan 0.000 0.230 240 P C 0.793 178.082 177.300 -0.018 0.000 1.158 240 P CA 1.142 64.190 63.100 -0.088 0.000 0.769 240 P CB 0.442 32.042 31.700 -0.167 0.000 0.807 241 R N -1.419 119.092 120.500 0.019 0.000 2.290 241 R HA 0.113 4.454 4.340 0.000 0.000 0.197 241 R C 1.028 177.359 176.300 0.053 0.000 0.913 241 R CA -0.336 55.779 56.100 0.026 0.000 1.040 241 R CB -0.256 30.053 30.300 0.015 0.000 0.992 241 R HN 0.078 nan 8.270 nan 0.000 0.500 242 N N 2.630 121.381 118.700 0.084 0.000 2.411 242 N HA -0.031 4.709 4.740 0.000 0.000 0.261 242 N C -1.622 173.951 175.510 0.105 0.000 1.248 242 N CA -1.014 52.088 53.050 0.087 0.000 0.885 242 N CB 1.212 39.765 38.487 0.110 0.000 1.062 242 N HN -0.026 nan 8.380 nan 0.000 0.471 243 P HA -0.067 nan 4.420 nan 0.000 0.222 243 P C 0.111 177.509 177.300 0.164 0.000 1.147 243 P CA 0.970 64.143 63.100 0.122 0.000 0.790 243 P CB 0.358 32.122 31.700 0.107 0.000 0.780 244 L N 0.751 122.068 121.223 0.157 0.000 2.270 244 L HA 0.258 4.598 4.340 0.000 0.000 0.286 244 L C 0.691 177.685 176.870 0.207 0.000 1.059 244 L CA -0.400 54.553 54.840 0.187 0.000 0.839 244 L CB 0.555 42.724 42.059 0.183 0.000 1.221 244 L HN -0.062 nan 8.230 nan 0.000 0.431 245 Q N 2.465 122.406 119.800 0.235 0.000 2.240 245 Q HA 0.375 4.715 4.340 0.000 0.000 0.260 245 Q C 0.101 176.232 176.000 0.218 0.000 1.018 245 Q CA -0.701 55.263 55.803 0.267 0.000 0.898 245 Q CB 1.829 30.799 28.738 0.387 0.000 1.301 245 Q HN 0.370 nan 8.270 nan 0.000 0.469 246 K N -1.320 119.204 120.400 0.207 0.000 3.281 246 K HA -0.189 4.132 4.320 0.000 0.000 0.295 246 K C -0.436 176.354 176.600 0.316 0.000 1.233 246 K CA 0.627 57.031 56.287 0.195 0.000 0.866 246 K CB -1.827 30.701 32.500 0.048 0.000 1.265 246 K HN 0.688 nan 8.250 nan 0.000 0.482 247 A N 1.094 124.044 122.820 0.215 0.000 2.484 247 A HA 0.537 4.857 4.320 0.000 0.000 0.268 247 A C 0.927 178.442 177.584 -0.114 0.000 1.114 247 A CA 1.041 53.141 52.037 0.103 0.000 0.780 247 A CB 0.354 19.321 19.000 -0.055 0.000 1.061 247 A HN 0.607 nan 8.150 nan 0.000 0.505 248 G N 0.529 109.202 108.800 -0.211 0.000 2.341 248 G HA2 0.448 4.408 3.960 0.000 0.000 0.299 248 G HA3 0.448 4.408 3.960 0.000 0.000 0.299 248 G C -0.346 174.459 174.900 -0.160 0.000 1.274 248 G CA -0.002 44.739 45.100 -0.599 0.000 0.853 248 G HN 1.527 nan 8.290 nan 0.000 0.493 249 H N -0.814 118.161 119.070 -0.158 0.000 2.631 249 H HA 0.046 4.602 4.556 0.000 0.000 0.322 249 H C 0.462 175.920 175.328 0.216 0.000 1.035 249 H CA 1.071 57.224 56.048 0.176 0.000 1.070 249 H CB -0.924 29.033 29.762 0.325 0.000 1.622 249 H HN 1.378 nan 8.280 nan 0.000 0.373 250 A N 2.283 125.257 122.820 0.256 0.000 2.281 250 A HA 0.805 5.125 4.320 0.000 0.000 0.329 250 A C -0.055 177.726 177.584 0.329 0.000 1.122 250 A CA 0.079 52.285 52.037 0.283 0.000 0.850 250 A CB 1.386 20.498 19.000 0.187 0.000 1.207 250 A HN 0.807 nan 8.150 nan 0.000 0.495 251 S N -0.356 115.511 115.700 0.278 0.000 2.549 251 S HA 0.730 5.200 4.470 0.000 0.000 0.280 251 S C -0.842 173.907 174.600 0.249 0.000 1.109 251 S CA -0.516 57.838 58.200 0.258 0.000 0.905 251 S CB 0.942 64.222 63.200 0.134 0.000 1.081 251 S HN 0.555 nan 8.310 nan 0.000 0.477 252 I N 1.821 122.526 120.570 0.225 0.000 2.392 252 I HA 0.565 4.735 4.170 0.000 0.000 0.295 252 I C -0.685 175.575 176.117 0.238 0.000 0.985 252 I CA -1.028 60.330 61.300 0.096 0.000 1.221 252 I CB 1.817 39.639 38.000 -0.296 0.000 1.366 252 I HN 0.513 nan 8.210 nan 0.000 0.467 253 V N 6.649 126.754 119.914 0.318 0.000 2.487 253 V HA 0.317 4.438 4.120 0.000 0.000 0.298 253 V C -0.731 175.513 176.094 0.251 0.000 1.028 253 V CA -0.352 62.147 62.300 0.331 0.000 0.860 253 V CB 1.599 33.633 31.823 0.351 0.000 0.991 253 V HN 0.741 nan 8.190 nan 0.000 0.427 254 H N 4.650 123.650 119.070 -0.117 0.000 2.690 254 H HA 0.368 4.924 4.556 0.000 0.000 0.289 254 H C 0.162 175.363 175.328 -0.211 0.000 1.089 254 H CA -0.261 55.389 56.048 -0.663 0.000 1.299 254 H CB 1.225 30.267 29.762 -1.200 0.000 1.405 254 H HN 0.767 nan 8.280 nan 0.000 0.463 255 T N 2.168 116.696 114.554 -0.043 0.000 2.828 255 T HA -0.050 4.300 4.350 0.000 0.000 0.290 255 T C 1.565 176.181 174.700 -0.140 0.000 1.019 255 T CA -0.105 62.029 62.100 0.057 0.000 1.031 255 T CB 0.471 69.340 68.868 0.001 0.000 1.001 255 T HN 0.892 nan 8.240 nan 0.000 0.531 256 H N 0.181 119.248 119.070 -0.006 0.000 2.518 256 H HA 0.048 4.604 4.556 0.000 0.000 0.289 256 H C 1.668 176.963 175.328 -0.056 0.000 1.051 256 H CA 1.423 57.426 56.048 -0.074 0.000 1.280 256 H CB -0.462 29.288 29.762 -0.020 0.000 1.380 256 H HN 0.543 nan 8.280 nan 0.000 0.566 257 T N -2.905 111.398 114.554 -0.418 0.000 3.235 257 T HA 0.047 4.397 4.350 0.000 0.000 0.251 257 T C 0.426 175.077 174.700 -0.081 0.000 1.060 257 T CA 0.230 62.186 62.100 -0.240 0.000 0.949 257 T CB -0.363 68.337 68.868 -0.279 0.000 1.020 257 T HN 0.424 nan 8.240 nan 0.000 0.564 258 D N 0.992 121.344 120.400 -0.080 0.000 2.772 258 D HA -0.147 4.493 4.640 0.000 0.000 0.233 258 D C -0.326 176.056 176.300 0.137 0.000 1.143 258 D CA 0.890 54.938 54.000 0.081 0.000 0.700 258 D CB -1.204 39.668 40.800 0.119 0.000 1.076 258 D HN 0.826 nan 8.370 nan 0.000 0.430 259 E N -1.087 119.162 120.200 0.083 0.000 2.264 259 E HA 0.680 5.030 4.350 0.000 0.000 0.260 259 E C -0.354 176.278 176.600 0.053 0.000 0.961 259 E CA -0.891 55.600 56.400 0.153 0.000 0.834 259 E CB 0.993 30.830 29.700 0.228 0.000 1.230 259 E HN 0.120 nan 8.360 nan 0.000 0.412 260 W N 0.732 122.070 121.300 0.065 0.000 2.785 260 W HA 0.509 5.169 4.660 0.000 0.000 0.333 260 W C -1.072 175.314 176.519 -0.222 0.000 1.062 260 W CA -0.354 57.051 57.345 0.100 0.000 1.233 260 W CB 0.990 30.567 29.460 0.195 0.000 1.413 260 W HN 0.361 nan 8.180 nan 0.000 0.489 261 F N 2.559 122.689 119.950 0.300 0.000 2.613 261 F HA 0.643 5.170 4.527 0.000 0.000 0.314 261 F C -0.849 175.062 175.800 0.186 0.000 1.075 261 F CA -1.318 56.798 58.000 0.193 0.000 0.945 261 F CB 1.729 40.800 39.000 0.119 0.000 1.310 261 F HN -0.032 nan 8.300 nan 0.000 0.467 262 L N 3.654 125.082 121.223 0.341 0.000 2.415 262 L HA 0.653 4.994 4.340 0.000 0.000 0.268 262 L C -0.911 176.133 176.870 0.289 0.000 0.984 262 L CA -0.712 54.281 54.840 0.254 0.000 0.853 262 L CB 1.305 43.456 42.059 0.153 0.000 1.215 262 L HN 0.433 nan 8.230 nan 0.000 0.419 263 V N 2.126 122.185 119.914 0.243 0.000 2.686 263 V HA 0.849 4.969 4.120 0.000 0.000 0.295 263 V C -0.492 175.733 176.094 0.218 0.000 1.057 263 V CA 0.092 62.487 62.300 0.157 0.000 1.012 263 V CB 1.190 33.049 31.823 0.060 0.000 1.006 263 V HN 1.040 nan 8.190 nan 0.000 0.477 264 H N 2.485 121.608 119.070 0.089 0.000 3.014 264 H HA 0.720 5.277 4.556 0.000 0.000 0.337 264 H C -0.887 174.500 175.328 0.098 0.000 1.320 264 H CA -1.002 55.111 56.048 0.109 0.000 1.128 264 H CB 1.116 30.926 29.762 0.080 0.000 1.862 264 H HN 0.960 nan 8.280 nan 0.000 0.536 265 L N -0.600 120.756 121.223 0.222 0.000 2.439 265 L HA 0.840 5.180 4.340 0.000 0.000 0.261 265 L C 0.090 177.135 176.870 0.291 0.000 1.153 265 L CA -0.105 54.839 54.840 0.174 0.000 0.808 265 L CB 1.445 43.634 42.059 0.218 0.000 1.126 265 L HN 0.935 nan 8.230 nan 0.000 0.460 266 T N 0.306 114.979 114.554 0.197 0.000 2.889 266 T HA 0.735 5.085 4.350 0.000 0.000 0.315 266 T C -0.659 174.144 174.700 0.172 0.000 1.291 266 T CA -0.096 62.141 62.100 0.228 0.000 1.028 266 T CB 1.222 70.234 68.868 0.241 0.000 1.235 266 T HN 1.179 nan 8.240 nan 0.000 0.491 267 G N 2.184 111.086 108.800 0.170 0.000 2.461 267 G HA2 0.624 4.584 3.960 0.000 0.000 0.323 267 G HA3 0.624 4.584 3.960 0.000 0.000 0.323 267 G C -0.937 174.102 174.900 0.232 0.000 1.229 267 G CA -0.718 44.484 45.100 0.170 0.000 0.941 267 G HN 0.723 nan 8.290 nan 0.000 0.477 268 R N 2.982 123.655 120.500 0.288 0.000 2.278 268 R HA 0.266 4.606 4.340 0.000 0.000 0.322 268 R C -2.504 174.066 176.300 0.451 0.000 1.058 268 R CA -1.393 54.932 56.100 0.376 0.000 0.991 268 R CB 1.562 32.146 30.300 0.473 0.000 1.140 268 R HN 0.340 nan 8.270 nan 0.000 0.518 269 P HA -0.032 nan 4.420 nan 0.000 0.269 269 P C 0.003 177.419 177.300 0.194 0.000 1.209 269 P CA -0.082 63.207 63.100 0.315 0.000 0.776 269 P CB 0.634 32.493 31.700 0.265 0.000 0.876 270 L N 4.111 125.451 121.223 0.194 0.000 2.492 270 L HA 0.117 4.458 4.340 0.000 0.000 0.280 270 L C -1.510 175.351 176.870 -0.016 0.000 1.240 270 L CA -1.486 53.360 54.840 0.010 0.000 0.831 270 L CB -0.664 41.483 42.059 0.147 0.000 1.100 270 L HN 0.318 nan 8.230 nan 0.000 0.505 271 P HA -0.016 nan 4.420 nan 0.000 0.264 271 P C -0.652 176.637 177.300 -0.017 0.000 1.183 271 P CA 0.333 63.399 63.100 -0.057 0.000 0.763 271 P CB 0.338 31.991 31.700 -0.078 0.000 0.807 272 R N 0.859 121.351 120.500 -0.013 0.000 2.659 272 R HA 0.141 4.482 4.340 0.000 0.000 0.418 272 R C -0.249 176.038 176.300 -0.022 0.000 1.076 272 R CA -0.405 55.689 56.100 -0.010 0.000 1.093 272 R CB 0.290 30.590 30.300 0.000 0.000 1.400 272 R HN 0.497 nan 8.270 nan 0.000 0.583 273 E N 0.652 120.836 120.200 -0.026 0.000 2.465 273 E HA 0.145 4.496 4.350 0.000 0.000 0.260 273 E C 1.196 177.779 176.600 -0.029 0.000 0.980 273 E CA 1.115 57.499 56.400 -0.027 0.000 0.927 273 E CB 0.260 29.943 29.700 -0.028 0.000 0.934 273 E HN 0.384 nan 8.360 nan 0.000 0.459 274 G N 2.160 110.944 108.800 -0.027 0.000 2.159 274 G HA2 -0.329 3.631 3.960 0.000 0.000 0.256 274 G HA3 -0.329 3.631 3.960 0.000 0.000 0.256 274 G C -0.041 174.842 174.900 -0.029 0.000 0.977 274 G CA 0.001 45.085 45.100 -0.027 0.000 0.652 274 G HN 0.457 nan 8.290 nan 0.000 0.531 275 Q N 0.222 120.005 119.800 -0.029 0.000 2.266 275 Q HA 0.478 4.819 4.340 0.000 0.000 0.261 275 Q C -2.401 173.582 176.000 -0.028 0.000 0.985 275 Q CA -1.905 53.881 55.803 -0.028 0.000 0.873 275 Q CB 1.492 30.213 28.738 -0.028 0.000 1.306 275 Q HN 0.129 nan 8.270 nan 0.000 0.447 276 P HA -0.084 nan 4.420 nan 0.000 0.264 276 P C 0.283 177.560 177.300 -0.040 0.000 1.193 276 P CA 0.014 63.096 63.100 -0.029 0.000 0.763 276 P CB 0.485 32.172 31.700 -0.021 0.000 0.810 277 L N 4.206 125.399 121.223 -0.050 0.000 2.079 277 L HA -0.137 4.203 4.340 0.000 0.000 0.210 277 L C 1.429 178.241 176.870 -0.096 0.000 1.081 277 L CA 1.977 56.777 54.840 -0.068 0.000 0.752 277 L CB -0.401 41.616 42.059 -0.069 0.000 0.896 277 L HN 0.412 nan 8.230 nan 0.000 0.433 278 L N -2.010 119.160 121.223 -0.089 0.000 2.701 278 L HA 0.151 4.491 4.340 0.000 0.000 0.238 278 L C 2.042 178.862 176.870 -0.085 0.000 1.106 278 L CA -0.066 54.708 54.840 -0.109 0.000 0.898 278 L CB 0.067 42.064 42.059 -0.103 0.000 1.188 278 L HN 0.128 nan 8.230 nan 0.000 0.508 279 E N 0.858 121.028 120.200 -0.049 0.000 2.031 279 E HA -0.173 4.178 4.350 0.000 0.000 0.193 279 E C 0.395 176.997 176.600 0.003 0.000 0.994 279 E CA 1.433 57.825 56.400 -0.013 0.000 0.800 279 E CB 0.148 29.853 29.700 0.008 0.000 0.752 279 E HN 0.458 nan 8.360 nan 0.000 0.447 280 H N -1.520 117.475 119.070 -0.125 0.000 2.934 280 H HA 0.424 4.980 4.556 0.000 0.000 0.340 280 H C -0.194 174.953 175.328 -0.301 0.000 1.008 280 H CA -0.652 55.284 56.048 -0.188 0.000 1.317 280 H CB 0.913 30.591 29.762 -0.140 0.000 1.670 280 H HN -0.079 nan 8.280 nan 0.000 0.516 281 R N 3.236 123.408 120.500 -0.546 0.000 2.320 281 R HA 0.270 4.610 4.340 0.000 0.000 0.211 281 R C 0.123 176.118 176.300 -0.508 0.000 0.931 281 R CA 0.467 56.147 56.100 -0.701 0.000 1.071 281 R CB 0.571 30.170 30.300 -1.169 0.000 1.025 281 R HN 0.829 nan 8.270 nan 0.000 0.495 282 G N -0.465 108.272 108.800 -0.105 0.000 2.353 282 G HA2 -0.098 3.862 3.960 0.000 0.000 0.424 282 G HA3 -0.098 3.862 3.960 0.000 0.000 0.424 282 G C -1.874 173.069 174.900 0.071 0.000 1.320 282 G CA -1.046 44.108 45.100 0.090 0.000 0.995 282 G HN 0.071 nan 8.290 nan 0.000 0.580 283 Y N -0.952 119.551 120.300 0.338 0.000 2.361 283 Y HA 0.562 5.113 4.550 0.000 0.000 0.337 283 Y C 0.355 176.452 175.900 0.328 0.000 0.965 283 Y CA -0.706 57.600 58.100 0.343 0.000 1.091 283 Y CB 2.278 40.922 38.460 0.307 0.000 1.182 283 Y HN 0.693 nan 8.280 nan 0.000 0.450 284 C N 5.609 125.172 119.300 0.437 0.000 2.357 284 C HA 0.229 4.689 4.460 0.000 0.000 0.300 284 C C -1.214 173.965 174.990 0.316 0.000 1.074 284 C CA -1.409 57.837 59.018 0.379 0.000 1.566 284 C CB 0.213 28.126 27.740 0.288 0.000 1.791 284 C HN 0.654 nan 8.230 nan 0.000 0.415 285 P HA -0.063 nan 4.420 nan 0.000 0.223 285 P C 0.958 178.338 177.300 0.135 0.000 1.151 285 P CA 1.157 64.378 63.100 0.203 0.000 0.787 285 P CB 0.275 32.156 31.700 0.302 0.000 0.788 286 L N -1.476 119.854 121.223 0.178 0.000 2.612 286 L HA 0.197 4.537 4.340 0.000 0.000 0.230 286 L C 1.590 178.519 176.870 0.099 0.000 1.140 286 L CA 0.354 55.241 54.840 0.079 0.000 0.896 286 L CB -1.157 40.849 42.059 -0.087 0.000 1.065 286 L HN 0.102 nan 8.230 nan 0.000 0.447 287 G N 1.394 110.281 108.800 0.145 0.000 2.547 287 G HA2 -0.314 3.646 3.960 0.000 0.000 0.271 287 G HA3 -0.314 3.646 3.960 0.000 0.000 0.271 287 G C -0.059 174.938 174.900 0.163 0.000 1.209 287 G CA -0.291 44.905 45.100 0.160 0.000 0.959 287 G HN 0.381 nan 8.290 nan 0.000 0.563 288 R N 1.316 121.928 120.500 0.187 0.000 2.255 288 R HA 0.514 4.854 4.340 0.000 0.000 0.326 288 R C 0.072 176.463 176.300 0.153 0.000 0.986 288 R CA -0.361 55.839 56.100 0.167 0.000 0.847 288 R CB 1.350 31.751 30.300 0.168 0.000 1.111 288 R HN 0.648 nan 8.270 nan 0.000 0.452 289 E N 0.878 121.139 120.200 0.102 0.000 2.259 289 E HA 0.330 4.680 4.350 0.000 0.000 0.257 289 E C -0.513 176.067 176.600 -0.033 0.000 0.998 289 E CA -0.881 55.543 56.400 0.040 0.000 0.866 289 E CB 1.500 31.202 29.700 0.004 0.000 1.220 289 E HN 0.280 nan 8.360 nan 0.000 0.415 290 T N 0.778 115.244 114.554 -0.147 0.000 2.795 290 T HA 0.603 4.953 4.350 0.000 0.000 0.282 290 T C -0.654 173.866 174.700 -0.299 0.000 0.980 290 T CA -0.542 61.412 62.100 -0.242 0.000 1.012 290 T CB 1.178 69.840 68.868 -0.343 0.000 0.936 290 T HN 0.515 nan 8.240 nan 0.000 0.457 291 A N 3.106 125.668 122.820 -0.431 0.000 2.435 291 A HA 0.933 5.253 4.320 0.000 0.000 0.296 291 A C -1.193 176.173 177.584 -0.365 0.000 1.147 291 A CA -0.848 50.942 52.037 -0.412 0.000 0.775 291 A CB 1.291 20.045 19.000 -0.410 0.000 1.340 291 A HN 0.859 nan 8.150 nan 0.000 0.427 292 I N -0.343 120.187 120.570 -0.067 0.000 2.686 292 I HA 0.495 4.665 4.170 0.000 0.000 0.295 292 I C -1.367 174.900 176.117 0.249 0.000 1.114 292 I CA -0.518 60.855 61.300 0.122 0.000 1.038 292 I CB 1.980 40.058 38.000 0.130 0.000 1.238 292 I HN 0.670 nan 8.210 nan 0.000 0.420 293 Q N 5.687 125.674 119.800 0.311 0.000 2.451 293 Q HA 0.450 4.791 4.340 0.000 0.000 0.281 293 Q C -1.177 174.949 176.000 0.210 0.000 1.099 293 Q CA -0.834 55.113 55.803 0.240 0.000 0.806 293 Q CB 2.642 31.478 28.738 0.163 0.000 1.419 293 Q HN 0.648 nan 8.270 nan 0.000 0.427 294 R N 1.163 121.694 120.500 0.052 0.000 2.410 294 R HA 0.573 4.913 4.340 0.000 0.000 0.288 294 R C -0.829 175.375 176.300 -0.160 0.000 1.051 294 R CA -0.253 55.701 56.100 -0.243 0.000 1.021 294 R CB 0.549 30.688 30.300 -0.267 0.000 1.032 294 R HN 0.535 nan 8.270 nan 0.000 0.481 295 L N 3.691 124.798 121.223 -0.194 0.000 2.334 295 L HA 0.438 4.778 4.340 0.000 0.000 0.276 295 L C -0.173 176.652 176.870 -0.076 0.000 1.014 295 L CA -0.620 54.145 54.840 -0.125 0.000 0.815 295 L CB 1.868 43.861 42.059 -0.110 0.000 1.268 295 L HN 0.779 nan 8.230 nan 0.000 0.428 296 E N 1.109 121.241 120.200 -0.113 0.000 2.359 296 E HA 0.522 4.872 4.350 0.000 0.000 0.266 296 E C -1.913 174.619 176.600 -0.114 0.000 0.920 296 E CA -0.930 55.473 56.400 0.005 0.000 0.788 296 E CB 1.752 31.468 29.700 0.026 0.000 1.279 296 E HN 0.328 nan 8.360 nan 0.000 0.438 297 W N 0.685 121.967 121.300 -0.029 0.000 2.702 297 W HA 0.501 5.161 4.660 0.000 0.000 0.331 297 W C -0.484 176.069 176.519 0.058 0.000 1.049 297 W CA -0.640 56.696 57.345 -0.015 0.000 1.230 297 W CB 1.978 31.328 29.460 -0.182 0.000 1.408 297 W HN 0.161 nan 8.180 nan 0.000 0.492 298 K N 2.402 123.018 120.400 0.360 0.000 2.513 298 K HA 0.160 4.480 4.320 0.000 0.000 0.251 298 K C -0.798 175.999 176.600 0.329 0.000 0.939 298 K CA -0.706 55.734 56.287 0.255 0.000 0.793 298 K CB 2.059 34.604 32.500 0.076 0.000 1.241 298 K HN 0.583 nan 8.250 nan 0.000 0.431 299 D N 1.359 121.895 120.400 0.226 0.000 2.737 299 D HA -0.196 4.444 4.640 0.000 0.000 0.233 299 D C 0.718 177.109 176.300 0.153 0.000 1.155 299 D CA 1.906 56.030 54.000 0.206 0.000 0.667 299 D CB -1.166 39.782 40.800 0.246 0.000 1.060 299 D HN 1.042 nan 8.370 nan 0.000 0.427 300 G N -1.656 107.234 108.800 0.150 0.000 2.147 300 G HA2 -0.275 3.685 3.960 0.000 0.000 0.244 300 G HA3 -0.275 3.685 3.960 0.000 0.000 0.244 300 G C -0.159 174.651 174.900 -0.150 0.000 1.005 300 G CA 0.279 45.408 45.100 0.048 0.000 0.713 300 G HN 0.373 nan 8.290 nan 0.000 0.515 301 W N 0.278 121.678 121.300 0.167 0.000 2.883 301 W HA 0.565 5.225 4.660 0.000 0.000 0.335 301 W C -2.111 174.064 176.519 -0.575 0.000 1.083 301 W CA -2.532 54.674 57.345 -0.232 0.000 1.233 301 W CB 2.174 31.308 29.460 -0.543 0.000 1.412 301 W HN -0.024 nan 8.180 nan 0.000 0.490 302 P HA 0.258 nan 4.420 nan 0.000 0.277 302 P C -1.466 175.474 177.300 -0.599 0.000 1.240 302 P CA -0.113 62.216 63.100 -1.284 0.000 0.798 302 P CB 1.329 32.135 31.700 -1.489 0.000 0.979 303 Y N -0.686 119.368 120.300 -0.410 0.000 2.470 303 Y HA 0.228 4.778 4.550 0.000 0.000 0.341 303 Y C 0.033 175.807 175.900 -0.209 0.000 1.021 303 Y CA -1.095 56.880 58.100 -0.209 0.000 1.025 303 Y CB 2.100 40.493 38.460 -0.113 0.000 1.266 303 Y HN -0.003 nan 8.280 nan 0.000 0.448 304 V N 4.722 124.617 119.914 -0.032 0.000 2.446 304 V HA 0.055 4.175 4.120 0.000 0.000 0.276 304 V C 0.068 176.157 176.094 -0.008 0.000 1.030 304 V CA -0.538 61.736 62.300 -0.044 0.000 1.033 304 V CB 0.330 32.112 31.823 -0.068 0.000 0.993 304 V HN 0.533 nan 8.190 nan 0.000 0.477 305 V N 5.517 125.418 119.914 -0.022 0.000 2.557 305 V HA 0.336 4.456 4.120 0.000 0.000 0.301 305 V C 1.380 177.461 176.094 -0.022 0.000 1.026 305 V CA 1.475 63.762 62.300 -0.021 0.000 1.137 305 V CB 0.230 32.035 31.823 -0.030 0.000 0.917 305 V HN 1.288 nan 8.190 nan 0.000 0.484 306 G N 3.151 111.935 108.800 -0.027 0.000 2.130 306 G HA2 0.231 4.191 3.960 0.000 0.000 0.216 306 G HA3 0.231 4.191 3.960 0.000 0.000 0.216 306 G C 0.712 175.575 174.900 -0.062 0.000 0.999 306 G CA 0.005 45.081 45.100 -0.040 0.000 0.686 306 G HN 2.381 nan 8.290 nan 0.000 0.515 307 G N -0.298 108.479 108.800 -0.038 0.000 2.756 307 G HA2 0.165 4.125 3.960 0.000 0.000 0.678 307 G HA3 0.165 4.125 3.960 0.000 0.000 0.678 307 G C 0.460 175.337 174.900 -0.038 0.000 1.349 307 G CA 0.433 45.516 45.100 -0.028 0.000 0.847 307 G HN 1.855 nan 8.290 nan 0.000 0.548 308 N N 0.352 119.058 118.700 0.010 0.000 2.521 308 N HA 0.240 4.980 4.740 0.000 0.000 0.188 308 N C 1.010 176.533 175.510 0.021 0.000 1.146 308 N CA 1.374 54.431 53.050 0.012 0.000 0.893 308 N CB -0.143 38.362 38.487 0.030 0.000 0.975 308 N HN 1.284 nan 8.380 nan 0.000 0.451 309 G N 0.766 109.484 108.800 -0.136 0.000 2.476 309 G HA2 0.442 4.402 3.960 0.000 0.000 0.286 309 G HA3 0.442 4.402 3.960 0.000 0.000 0.286 309 G C -2.768 172.018 174.900 -0.190 0.000 1.177 309 G CA -1.237 43.694 45.100 -0.281 0.000 0.870 309 G HN 0.149 nan 8.290 nan 0.000 0.528 310 P HA 0.228 nan 4.420 nan 0.000 0.282 310 P C -0.266 177.028 177.300 -0.010 0.000 1.262 310 P CA -0.274 62.802 63.100 -0.040 0.000 0.773 310 P CB 1.412 33.132 31.700 0.033 0.000 0.879 311 S N 2.854 118.564 115.700 0.017 0.000 2.545 311 S HA 0.088 4.558 4.470 0.000 0.000 0.275 311 S C 1.393 176.033 174.600 0.066 0.000 1.299 311 S CA -0.471 57.743 58.200 0.023 0.000 1.048 311 S CB 0.585 63.799 63.200 0.023 0.000 0.938 311 S HN 0.422 nan 8.310 nan 0.000 0.496 312 L N 2.415 123.672 121.223 0.055 0.000 2.141 312 L HA 0.165 4.505 4.340 0.000 0.000 0.209 312 L C 0.743 177.656 176.870 0.071 0.000 1.094 312 L CA 1.735 56.618 54.840 0.071 0.000 0.763 312 L CB -0.125 41.972 42.059 0.063 0.000 0.908 312 L HN 0.733 nan 8.230 nan 0.000 0.437 313 E N -0.449 119.788 120.200 0.061 0.000 2.272 313 E HA 0.509 4.859 4.350 0.000 0.000 0.269 313 E C -1.167 175.475 176.600 0.069 0.000 0.877 313 E CA -0.649 55.789 56.400 0.063 0.000 0.755 313 E CB 1.620 31.350 29.700 0.050 0.000 1.192 313 E HN 0.245 nan 8.360 nan 0.000 0.422 314 I N -0.537 120.086 120.570 0.087 0.000 3.042 314 I HA 0.571 4.741 4.170 0.000 0.000 0.310 314 I C -0.861 175.325 176.117 0.115 0.000 1.117 314 I CA -1.047 60.319 61.300 0.110 0.000 1.003 314 I CB 2.119 40.217 38.000 0.163 0.000 1.228 314 I HN 0.208 nan 8.210 nan 0.000 0.443 315 D N 3.162 123.641 120.400 0.131 0.000 2.312 315 D HA 0.329 4.969 4.640 0.000 0.000 0.252 315 D C 0.320 176.754 176.300 0.223 0.000 1.150 315 D CA 0.268 54.348 54.000 0.133 0.000 0.870 315 D CB 1.797 42.660 40.800 0.106 0.000 1.153 315 D HN 0.861 nan 8.370 nan 0.000 0.457 316 G N 2.711 111.586 108.800 0.126 0.000 2.667 316 G HA2 0.280 4.240 3.960 0.000 0.000 0.250 316 G HA3 0.280 4.240 3.960 0.000 0.000 0.250 316 G C -2.168 172.798 174.900 0.111 0.000 1.212 316 G CA -0.748 44.382 45.100 0.050 0.000 0.874 316 G HN 0.284 nan 8.290 nan 0.000 0.561 317 P HA 0.132 nan 4.420 nan 0.000 0.272 317 P C -0.047 177.248 177.300 -0.008 0.000 1.230 317 P CA -0.316 62.804 63.100 0.034 0.000 0.788 317 P CB 0.807 32.370 31.700 -0.228 0.000 0.949 318 S N 0.030 115.735 115.700 0.009 0.000 4.175 318 S HA 0.260 4.730 4.470 0.000 0.000 0.193 318 S C 0.571 175.151 174.600 -0.034 0.000 1.373 318 S CA -0.428 57.767 58.200 -0.008 0.000 0.908 318 S CB -1.377 61.826 63.200 0.005 0.000 1.547 318 S HN 0.374 nan 8.310 nan 0.000 0.440 319 V N -1.467 118.421 119.914 -0.043 0.000 3.160 319 V HA 0.582 4.702 4.120 0.000 0.000 0.310 319 V C -0.453 175.613 176.094 -0.046 0.000 1.181 319 V CA -1.554 60.729 62.300 -0.028 0.000 1.047 319 V CB 1.433 33.251 31.823 -0.009 0.000 1.068 319 V HN 0.329 nan 8.190 nan 0.000 0.441 320 E N 0.923 121.097 120.200 -0.042 0.000 2.392 320 E HA 0.186 4.537 4.350 0.000 0.000 0.264 320 E C -0.255 176.278 176.600 -0.112 0.000 1.024 320 E CA -0.071 56.288 56.400 -0.067 0.000 0.903 320 E CB 1.064 30.728 29.700 -0.060 0.000 0.963 320 E HN 0.837 nan 8.360 nan 0.000 0.432 321 E N 2.129 122.253 120.200 -0.127 0.000 2.366 321 E HA 0.073 4.424 4.350 0.000 0.000 0.266 321 E C -1.258 175.195 176.600 -0.245 0.000 1.015 321 E CA -0.182 56.111 56.400 -0.178 0.000 0.906 321 E CB 0.565 30.175 29.700 -0.150 0.000 0.979 321 E HN 0.114 nan 8.360 nan 0.000 0.443 322 V N 5.653 125.350 119.914 -0.363 0.000 2.357 322 V HA 0.215 4.335 4.120 0.000 0.000 0.281 322 V C -0.112 175.439 176.094 -0.905 0.000 1.015 322 V CA -0.533 61.426 62.300 -0.567 0.000 0.827 322 V CB 0.934 32.425 31.823 -0.555 0.000 1.018 322 V HN 0.780 nan 8.190 nan 0.000 0.432 323 S N 3.326 118.563 115.700 -0.773 0.000 2.745 323 S HA 0.812 5.282 4.470 0.000 0.000 0.292 323 S C -1.153 172.962 174.600 -0.808 0.000 1.133 323 S CA -0.682 57.061 58.200 -0.763 0.000 0.998 323 S CB 1.611 64.620 63.200 -0.319 0.000 1.087 323 S HN 0.526 nan 8.310 nan 0.000 0.551 324 W N -0.150 121.149 121.300 -0.002 0.000 2.819 324 W HA 0.513 5.173 4.660 0.000 0.000 0.337 324 W C 0.025 176.570 176.519 0.044 0.000 1.077 324 W CA -0.771 56.592 57.345 0.029 0.000 1.226 324 W CB 1.115 30.610 29.460 0.058 0.000 1.419 324 W HN 0.785 nan 8.180 nan 0.000 0.502 325 E N 2.733 123.102 120.200 0.281 0.000 2.415 325 E HA -0.021 4.329 4.350 0.000 0.000 0.262 325 E C 0.108 176.822 176.600 0.189 0.000 1.038 325 E CA -0.251 56.252 56.400 0.173 0.000 0.921 325 E CB 0.710 30.488 29.700 0.130 0.000 0.950 325 E HN 0.347 nan 8.360 nan 0.000 0.438 326 K N 2.743 123.219 120.400 0.125 0.000 2.472 326 K HA -0.088 4.232 4.320 0.000 0.000 0.280 326 K C 0.039 176.725 176.600 0.143 0.000 1.028 326 K CA 0.216 56.576 56.287 0.121 0.000 1.045 326 K CB 0.315 32.811 32.500 -0.007 0.000 0.902 326 K HN 0.438 nan 8.250 nan 0.000 0.478 327 D N 3.951 124.515 120.400 0.274 0.000 2.358 327 D HA -0.009 4.631 4.640 0.000 0.000 0.224 327 D C -0.432 176.054 176.300 0.310 0.000 1.123 327 D CA -0.010 54.148 54.000 0.262 0.000 0.833 327 D CB -0.398 40.597 40.800 0.326 0.000 0.946 327 D HN 0.488 nan 8.370 nan 0.000 0.505 328 Y N -2.213 118.159 120.300 0.119 0.000 2.609 328 Y HA 0.549 5.099 4.550 0.000 0.000 0.336 328 Y C -1.505 174.429 175.900 0.058 0.000 1.129 328 Y CA -1.491 56.661 58.100 0.088 0.000 1.040 328 Y CB 0.923 39.471 38.460 0.148 0.000 1.310 328 Y HN -0.353 nan 8.280 nan 0.000 0.460 329 D N 2.389 122.780 120.400 -0.015 0.000 2.210 329 D HA 0.080 4.720 4.640 0.000 0.000 0.249 329 D C 0.751 176.979 176.300 -0.120 0.000 1.078 329 D CA -0.157 53.767 54.000 -0.126 0.000 0.875 329 D CB 2.022 42.810 40.800 -0.020 0.000 1.175 329 D HN 0.943 nan 8.370 nan 0.000 0.440 330 E N 2.450 122.514 120.200 -0.226 0.000 2.070 330 E HA -0.211 4.139 4.350 0.000 0.000 0.197 330 E C 0.186 176.797 176.600 0.018 0.000 1.004 330 E CA 1.094 57.441 56.400 -0.088 0.000 0.805 330 E CB 0.296 29.915 29.700 -0.136 0.000 0.744 330 E HN 0.204 nan 8.360 nan 0.000 0.451 331 K N 1.527 121.904 120.400 -0.038 0.000 2.354 331 K HA 0.051 4.372 4.320 0.000 0.000 0.257 331 K C -1.295 175.291 176.600 -0.023 0.000 1.062 331 K CA -0.491 55.769 56.287 -0.046 0.000 0.971 331 K CB 0.889 33.283 32.500 -0.176 0.000 1.305 331 K HN -0.053 nan 8.250 nan 0.000 0.449 332 D N 3.348 123.773 120.400 0.040 0.000 2.352 332 D HA 0.014 4.654 4.640 0.000 0.000 0.245 332 D C 0.064 176.205 176.300 -0.265 0.000 1.224 332 D CA 0.095 54.064 54.000 -0.052 0.000 0.879 332 D CB 0.959 41.788 40.800 0.048 0.000 1.057 332 D HN 0.509 nan 8.370 nan 0.000 0.491 333 D N 3.117 123.430 120.400 -0.145 0.000 2.328 333 D HA -0.061 4.580 4.640 0.000 0.000 0.226 333 D C 0.189 176.496 176.300 0.011 0.000 1.066 333 D CA -0.072 53.879 54.000 -0.082 0.000 0.861 333 D CB 0.049 40.832 40.800 -0.027 0.000 0.912 333 D HN 0.396 nan 8.370 nan 0.000 0.521 334 F N 0.286 120.316 119.950 0.133 0.000 3.080 334 F HA -0.221 4.306 4.527 0.000 0.000 0.292 334 F C 1.015 176.854 175.800 0.064 0.000 0.891 334 F CA 0.002 58.059 58.000 0.095 0.000 1.086 334 F CB -2.024 37.026 39.000 0.083 0.000 1.095 334 F HN 0.071 nan 8.300 nan 0.000 0.633 335 D N -0.520 119.997 120.400 0.195 0.000 2.354 335 D HA 0.129 4.769 4.640 0.000 0.000 0.209 335 D C 1.786 178.158 176.300 0.120 0.000 1.015 335 D CA 0.992 55.071 54.000 0.132 0.000 0.867 335 D CB 0.132 40.983 40.800 0.085 0.000 0.933 335 D HN 0.439 nan 8.370 nan 0.000 0.520 336 G N 1.466 110.349 108.800 0.139 0.000 2.634 336 G HA2 0.063 4.023 3.960 0.000 0.000 0.255 336 G HA3 0.063 4.023 3.960 0.000 0.000 0.255 336 G C 0.592 175.552 174.900 0.100 0.000 1.205 336 G CA -0.281 44.886 45.100 0.111 0.000 0.884 336 G HN 0.032 nan 8.290 nan 0.000 0.549 337 D N -1.297 119.146 120.400 0.073 0.000 2.342 337 D HA 0.098 4.738 4.640 0.000 0.000 0.221 337 D C 0.185 176.516 176.300 0.052 0.000 1.101 337 D CA 0.019 54.053 54.000 0.057 0.000 0.837 337 D CB 0.185 41.011 40.800 0.043 0.000 0.938 337 D HN 0.158 nan 8.370 nan 0.000 0.508 338 T N 0.056 114.651 114.554 0.067 0.000 2.894 338 T HA 0.365 4.715 4.350 0.000 0.000 0.309 338 T C -0.102 174.660 174.700 0.103 0.000 1.208 338 T CA -0.734 61.404 62.100 0.065 0.000 1.016 338 T CB 2.137 71.036 68.868 0.053 0.000 1.192 338 T HN -0.017 nan 8.240 nan 0.000 0.491 339 L N 2.718 124.001 121.223 0.100 0.000 2.416 339 L HA 0.270 4.611 4.340 0.000 0.000 0.272 339 L C 1.231 178.248 176.870 0.244 0.000 1.161 339 L CA -0.611 54.336 54.840 0.178 0.000 0.845 339 L CB 0.378 42.495 42.059 0.097 0.000 1.119 339 L HN 0.664 nan 8.230 nan 0.000 0.464 340 N N 2.672 121.602 118.700 0.384 0.000 2.356 340 N HA -0.127 4.613 4.740 0.000 0.000 0.252 340 N C 1.145 176.752 175.510 0.163 0.000 1.241 340 N CA 0.078 53.254 53.050 0.211 0.000 0.861 340 N CB 0.546 39.176 38.487 0.239 0.000 1.075 340 N HN 0.724 nan 8.380 nan 0.000 0.461 341 H N 2.296 121.337 119.070 -0.048 0.000 2.567 341 H HA -0.032 4.524 4.556 0.000 0.000 0.276 341 H C 0.308 175.455 175.328 -0.301 0.000 1.016 341 H CA 0.411 56.357 56.048 -0.171 0.000 1.186 341 H CB 0.004 29.619 29.762 -0.245 0.000 1.351 341 H HN 0.589 nan 8.280 nan 0.000 0.605 342 H N 0.276 119.393 119.070 0.078 0.000 2.548 342 H HA 0.050 4.607 4.556 0.000 0.000 0.268 342 H C -0.125 175.008 175.328 -0.326 0.000 0.975 342 H CA -0.019 55.897 56.048 -0.219 0.000 1.195 342 H CB -0.029 29.467 29.762 -0.443 0.000 1.397 342 H HN 0.239 nan 8.280 nan 0.000 0.572 343 F N 1.758 121.723 119.950 0.026 0.000 2.412 343 F HA 0.254 4.782 4.527 0.000 0.000 0.348 343 F C 0.777 176.569 175.800 -0.014 0.000 1.102 343 F CA 0.017 57.992 58.000 -0.042 0.000 1.196 343 F CB 0.888 39.860 39.000 -0.047 0.000 1.144 343 F HN -0.078 nan 8.300 nan 0.000 0.541 344 Q N 0.506 120.428 119.800 0.203 0.000 2.528 344 Q HA 0.612 4.952 4.340 0.000 0.000 0.289 344 Q C -0.696 175.449 176.000 0.241 0.000 1.091 344 Q CA -1.082 54.856 55.803 0.225 0.000 0.797 344 Q CB 2.820 31.727 28.738 0.281 0.000 1.466 344 Q HN 0.731 nan 8.270 nan 0.000 0.436 345 T N -2.391 112.334 114.554 0.286 0.000 2.926 345 T HA 0.625 4.975 4.350 0.000 0.000 0.289 345 T C -0.442 174.296 174.700 0.063 0.000 1.054 345 T CA -0.851 61.331 62.100 0.137 0.000 1.015 345 T CB 0.628 69.525 68.868 0.048 0.000 1.167 345 T HN 0.389 nan 8.240 nan 0.000 0.526 346 L N 2.561 123.666 121.223 -0.196 0.000 2.325 346 L HA 0.437 4.777 4.340 0.000 0.000 0.284 346 L C 1.334 178.064 176.870 -0.233 0.000 1.089 346 L CA -0.393 54.193 54.840 -0.424 0.000 0.836 346 L CB 0.157 41.937 42.059 -0.466 0.000 1.184 346 L HN 0.887 nan 8.230 nan 0.000 0.444 347 R N 1.298 121.697 120.500 -0.169 0.000 3.594 347 R HA -0.251 4.089 4.340 0.000 0.000 0.317 347 R C 0.066 176.260 176.300 -0.175 0.000 0.681 347 R CA 2.084 58.118 56.100 -0.111 0.000 1.656 347 R CB -1.305 28.888 30.300 -0.178 0.000 1.720 347 R HN 0.716 nan 8.270 nan 0.000 0.480 348 I N -1.653 118.728 120.570 -0.315 0.000 2.892 348 I HA 0.644 4.814 4.170 0.000 0.000 0.306 348 I C -2.691 172.997 176.117 -0.716 0.000 1.078 348 I CA -2.892 58.039 61.300 -0.615 0.000 1.032 348 I CB 2.478 40.271 38.000 -0.345 0.000 1.229 348 I HN -0.254 nan 8.210 nan 0.000 0.435 349 P HA 0.264 nan 4.420 nan 0.000 0.275 349 P C -1.103 176.072 177.300 -0.209 0.000 1.227 349 P CA -0.076 62.781 63.100 -0.405 0.000 0.781 349 P CB 1.042 32.575 31.700 -0.280 0.000 0.906 350 L N 2.488 123.653 121.223 -0.097 0.000 2.265 350 L HA 0.473 4.813 4.340 0.000 0.000 0.289 350 L C 1.395 178.233 176.870 -0.053 0.000 1.033 350 L CA -0.558 54.235 54.840 -0.078 0.000 0.814 350 L CB 1.140 43.161 42.059 -0.064 0.000 1.203 350 L HN 0.441 nan 8.230 nan 0.000 0.423 351 G N 1.313 110.078 108.800 -0.057 0.000 2.588 351 G HA2 0.102 4.062 3.960 0.000 0.000 0.278 351 G HA3 0.102 4.062 3.960 0.000 0.000 0.278 351 G C 0.668 175.548 174.900 -0.034 0.000 1.307 351 G CA -0.360 44.713 45.100 -0.044 0.000 1.016 351 G HN 0.669 nan 8.290 nan 0.000 0.503 352 E N 0.408 120.589 120.200 -0.032 0.000 2.267 352 E HA -0.155 4.195 4.350 0.000 0.000 0.197 352 E C 1.988 178.566 176.600 -0.036 0.000 0.998 352 E CA 1.370 57.758 56.400 -0.020 0.000 0.830 352 E CB -0.031 29.653 29.700 -0.026 0.000 0.751 352 E HN 0.683 nan 8.360 nan 0.000 0.491 353 D N -0.363 119.977 120.400 -0.101 0.000 2.348 353 D HA -0.085 4.555 4.640 0.000 0.000 0.216 353 D C 1.744 177.934 176.300 -0.185 0.000 0.970 353 D CA 0.492 54.352 54.000 -0.233 0.000 0.889 353 D CB -0.081 40.599 40.800 -0.199 0.000 0.912 353 D HN 0.292 nan 8.370 nan 0.000 0.524 354 I N -0.280 120.296 120.570 0.010 0.000 3.739 354 I HA 0.240 4.410 4.170 0.000 0.000 0.272 354 I C 0.726 176.941 176.117 0.164 0.000 1.167 354 I CA 0.024 61.391 61.300 0.112 0.000 1.386 354 I CB 0.344 38.349 38.000 0.009 0.000 1.490 354 I HN -0.053 nan 8.210 nan 0.000 0.452 355 A N 0.564 123.416 122.820 0.054 0.000 2.318 355 A HA 0.724 5.044 4.320 0.000 0.000 0.317 355 A C -0.464 177.115 177.584 -0.007 0.000 1.159 355 A CA -0.220 51.809 52.037 -0.013 0.000 0.799 355 A CB 1.127 20.076 19.000 -0.085 0.000 1.194 355 A HN 0.097 nan 8.150 nan 0.000 0.479 356 T N 2.371 116.907 114.554 -0.030 0.000 3.032 356 T HA 0.466 4.816 4.350 0.000 0.000 0.312 356 T C 0.067 174.728 174.700 -0.064 0.000 1.078 356 T CA -0.424 61.663 62.100 -0.022 0.000 1.028 356 T CB 0.523 69.420 68.868 0.049 0.000 1.091 356 T HN 0.448 nan 8.240 nan 0.000 0.457 357 L N 3.771 124.966 121.223 -0.047 0.000 2.607 357 L HA 0.347 4.687 4.340 0.000 0.000 0.228 357 L C 2.211 179.095 176.870 0.023 0.000 1.123 357 L CA 0.170 54.997 54.840 -0.022 0.000 0.890 357 L CB 0.024 42.081 42.059 -0.002 0.000 1.103 357 L HN 0.569 nan 8.230 nan 0.000 0.468 358 K N 0.076 120.484 120.400 0.013 0.000 2.244 358 K HA 0.158 4.478 4.320 0.000 0.000 0.200 358 K C 2.243 178.853 176.600 0.016 0.000 1.052 358 K CA 0.788 57.088 56.287 0.021 0.000 0.980 358 K CB 0.097 32.605 32.500 0.014 0.000 0.838 358 K HN 0.168 nan 8.250 nan 0.000 0.481 359 A N 1.803 124.622 122.820 -0.001 0.000 1.940 359 A HA -0.145 4.176 4.320 0.000 0.000 0.219 359 A C 1.269 178.834 177.584 -0.030 0.000 1.176 359 A CA 1.199 53.219 52.037 -0.028 0.000 0.631 359 A CB -0.142 18.815 19.000 -0.072 0.000 0.814 359 A HN 0.190 nan 8.150 nan 0.000 0.446 360 R N -0.335 120.163 120.500 -0.004 0.000 2.575 360 R HA 0.342 4.682 4.340 0.000 0.000 0.292 360 R C -3.239 173.159 176.300 0.163 0.000 1.246 360 R CA -2.021 54.101 56.100 0.035 0.000 0.973 360 R CB 1.351 31.610 30.300 -0.067 0.000 1.187 360 R HN 0.028 nan 8.270 nan 0.000 0.478 361 P HA 0.046 nan 4.420 nan 0.000 0.265 361 P C 0.480 177.944 177.300 0.272 0.000 1.187 361 P CA 1.215 64.418 63.100 0.172 0.000 0.766 361 P CB 0.837 32.612 31.700 0.125 0.000 0.820 362 G N 0.838 109.756 108.800 0.197 0.000 2.179 362 G HA2 -0.214 3.747 3.960 0.000 0.000 0.260 362 G HA3 -0.214 3.747 3.960 0.000 0.000 0.260 362 G C -0.170 174.708 174.900 -0.036 0.000 0.977 362 G CA 0.026 45.188 45.100 0.102 0.000 0.641 362 G HN 0.703 nan 8.290 nan 0.000 0.533 363 H N -1.496 117.698 119.070 0.206 0.000 2.717 363 H HA 0.626 5.182 4.556 0.000 0.000 0.366 363 H C -0.392 174.925 175.328 -0.019 0.000 1.132 363 H CA -0.807 55.355 56.048 0.189 0.000 1.180 363 H CB 1.791 31.642 29.762 0.148 0.000 1.678 363 H HN 0.301 nan 8.280 nan 0.000 0.537 364 L N 2.499 123.619 121.223 -0.172 0.000 2.260 364 L HA 0.383 4.723 4.340 0.000 0.000 0.289 364 L C -0.025 176.787 176.870 -0.096 0.000 1.057 364 L CA -0.179 54.401 54.840 -0.433 0.000 0.811 364 L CB 0.338 41.679 42.059 -1.197 0.000 1.184 364 L HN 0.600 nan 8.230 nan 0.000 0.429 365 R N 4.656 125.088 120.500 -0.114 0.000 2.265 365 R HA 0.573 4.913 4.340 0.000 0.000 0.319 365 R C -1.563 174.636 176.300 -0.167 0.000 1.006 365 R CA -0.710 55.296 56.100 -0.156 0.000 0.880 365 R CB 0.782 30.871 30.300 -0.351 0.000 1.077 365 R HN 0.606 nan 8.270 nan 0.000 0.454 366 L N 6.020 127.190 121.223 -0.089 0.000 2.318 366 L HA 0.334 4.674 4.340 0.000 0.000 0.277 366 L C -1.179 175.653 176.870 -0.064 0.000 1.008 366 L CA -0.644 54.169 54.840 -0.044 0.000 0.846 366 L CB 0.952 43.035 42.059 0.040 0.000 1.220 366 L HN 0.588 nan 8.230 nan 0.000 0.423 367 Y N 1.722 122.048 120.300 0.043 0.000 2.402 367 Y HA 0.394 4.944 4.550 0.000 0.000 0.333 367 Y C 1.446 177.359 175.900 0.023 0.000 1.076 367 Y CA -0.060 58.090 58.100 0.084 0.000 1.299 367 Y CB 0.720 39.204 38.460 0.039 0.000 1.197 367 Y HN 0.703 nan 8.280 nan 0.000 0.517 368 G N 5.038 113.937 108.800 0.166 0.000 2.313 368 G HA2 0.206 4.166 3.960 0.000 0.000 0.250 368 G HA3 0.206 4.166 3.960 0.000 0.000 0.250 368 G C 0.364 175.291 174.900 0.044 0.000 1.281 368 G CA -0.531 44.604 45.100 0.058 0.000 0.917 368 G HN 0.544 nan 8.290 nan 0.000 0.501 369 R N 1.816 122.305 120.500 -0.019 0.000 2.647 369 R HA 0.322 4.662 4.340 0.000 0.000 0.124 369 R C 0.406 176.711 176.300 0.008 0.000 1.294 369 R CA -0.602 55.494 56.100 -0.007 0.000 1.060 369 R CB -0.222 30.064 30.300 -0.022 0.000 1.282 369 R HN 0.651 nan 8.270 nan 0.000 0.430 370 E N 1.097 121.308 120.200 0.018 0.000 2.351 370 E HA 0.131 4.481 4.350 0.000 0.000 0.255 370 E C 0.000 176.649 176.600 0.081 0.000 1.188 370 E CA -0.322 56.108 56.400 0.050 0.000 0.940 370 E CB 0.550 30.288 29.700 0.063 0.000 1.094 370 E HN 0.456 nan 8.360 nan 0.000 0.474 371 S N -0.038 115.710 115.700 0.081 0.000 2.596 371 S HA 0.046 4.516 4.470 0.000 0.000 0.260 371 S C 0.998 175.582 174.600 -0.026 0.000 1.336 371 S CA -0.468 57.762 58.200 0.051 0.000 0.993 371 S CB 0.313 63.556 63.200 0.071 0.000 0.923 371 S HN 0.500 nan 8.310 nan 0.000 0.567 372 L N 0.846 121.898 121.223 -0.286 0.000 2.549 372 L HA -0.007 4.333 4.340 0.000 0.000 0.229 372 L C 2.379 179.204 176.870 -0.075 0.000 1.158 372 L CA 1.200 55.716 54.840 -0.539 0.000 0.842 372 L CB -0.812 40.341 42.059 -1.511 0.000 0.952 372 L HN 1.032 nan 8.230 nan 0.000 0.452 373 T N -5.569 109.056 114.554 0.118 0.000 3.105 373 T HA 0.069 4.419 4.350 0.000 0.000 0.253 373 T C 0.752 175.550 174.700 0.164 0.000 1.047 373 T CA -0.207 62.031 62.100 0.230 0.000 0.944 373 T CB 0.197 69.221 68.868 0.259 0.000 1.016 373 T HN 0.078 nan 8.240 nan 0.000 0.544 374 S N 0.849 116.629 115.700 0.133 0.000 2.499 374 S HA 0.400 4.870 4.470 0.000 0.000 0.279 374 S C 0.706 175.366 174.600 0.101 0.000 1.219 374 S CA -0.880 57.428 58.200 0.181 0.000 1.062 374 S CB 0.642 63.957 63.200 0.193 0.000 0.978 374 S HN 0.455 nan 8.310 nan 0.000 0.489 375 R N 3.236 123.755 120.500 0.032 0.000 2.449 375 R HA 0.225 4.565 4.340 0.000 0.000 0.262 375 R C -0.280 175.636 176.300 -0.640 0.000 1.006 375 R CA 0.262 56.164 56.100 -0.330 0.000 1.104 375 R CB 0.041 30.069 30.300 -0.454 0.000 1.206 375 R HN 0.607 nan 8.270 nan 0.000 0.538 376 F N -1.293 118.636 119.950 -0.035 0.000 2.223 376 F HA 0.227 4.754 4.527 0.000 0.000 0.229 376 F C 0.778 176.540 175.800 -0.064 0.000 1.066 376 F CA -0.117 57.856 58.000 -0.045 0.000 1.199 376 F CB 0.280 39.261 39.000 -0.031 0.000 1.539 376 F HN -0.357 nan 8.300 nan 0.000 0.554 377 T N 2.220 116.868 114.554 0.158 0.000 2.912 377 T HA 0.386 4.737 4.350 0.000 0.000 0.326 377 T C -0.810 173.899 174.700 0.014 0.000 1.080 377 T CA -0.545 61.580 62.100 0.041 0.000 1.000 377 T CB 0.868 69.752 68.868 0.026 0.000 1.008 377 T HN 0.077 nan 8.240 nan 0.000 0.473 378 Q N 1.645 121.433 119.800 -0.020 0.000 2.316 378 Q HA 0.624 4.964 4.340 0.000 0.000 0.264 378 Q C -0.469 175.476 176.000 -0.092 0.000 0.987 378 Q CA -0.918 54.859 55.803 -0.044 0.000 0.852 378 Q CB 2.301 31.042 28.738 0.005 0.000 1.287 378 Q HN 0.747 nan 8.270 nan 0.000 0.448 379 A N 3.505 126.207 122.820 -0.197 0.000 2.805 379 A HA 0.362 4.682 4.320 0.000 0.000 0.301 379 A C -1.123 176.313 177.584 -0.247 0.000 1.557 379 A CA 0.151 52.074 52.037 -0.191 0.000 1.254 379 A CB -0.553 18.347 19.000 -0.166 0.000 1.114 379 A HN 0.507 nan 8.150 nan 0.000 0.553 380 F N 2.499 122.270 119.950 -0.299 0.000 2.607 380 F HA 0.535 5.062 4.527 0.000 0.000 0.322 380 F C -1.337 174.370 175.800 -0.154 0.000 1.176 380 F CA -1.243 56.621 58.000 -0.226 0.000 0.977 380 F CB 1.884 40.810 39.000 -0.123 0.000 1.242 380 F HN 0.124 nan 8.300 nan 0.000 0.465 381 V N 5.442 125.096 119.914 -0.435 0.000 2.483 381 V HA 0.934 5.055 4.120 0.000 0.000 0.297 381 V C -0.521 175.226 176.094 -0.580 0.000 1.027 381 V CA -0.366 61.644 62.300 -0.484 0.000 0.855 381 V CB 1.158 32.669 31.823 -0.519 0.000 0.995 381 V HN 1.065 nan 8.190 nan 0.000 0.424 382 A N 5.406 128.005 122.820 -0.369 0.000 2.572 382 A HA 1.013 5.333 4.320 0.000 0.000 0.295 382 A C -0.756 176.848 177.584 0.034 0.000 1.072 382 A CA -0.942 50.944 52.037 -0.251 0.000 0.691 382 A CB 2.114 20.787 19.000 -0.545 0.000 1.291 382 A HN 0.979 nan 8.150 nan 0.000 0.404 383 R N 0.452 120.931 120.500 -0.036 0.000 2.854 383 R HA 0.775 5.115 4.340 0.000 0.000 0.271 383 R C -0.709 175.276 176.300 -0.525 0.000 0.994 383 R CA -0.900 55.020 56.100 -0.299 0.000 0.945 383 R CB 1.242 31.220 30.300 -0.537 0.000 1.194 383 R HN 0.615 nan 8.270 nan 0.000 0.476 384 R N 0.848 120.805 120.500 -0.904 0.000 2.590 384 R HA 0.048 4.388 4.340 0.000 0.000 0.274 384 R C -0.605 175.363 176.300 -0.554 0.000 1.061 384 R CA -0.078 55.409 56.100 -1.022 0.000 1.081 384 R CB 0.362 30.148 30.300 -0.856 0.000 0.984 384 R HN 0.474 nan 8.270 nan 0.000 0.448 385 W N 2.536 123.502 121.300 -0.557 0.000 2.308 385 W HA 0.040 4.700 4.660 0.000 0.000 0.324 385 W C 0.816 177.099 176.519 -0.393 0.000 1.387 385 W CA 0.098 57.211 57.345 -0.387 0.000 1.250 385 W CB 0.249 29.704 29.460 -0.008 0.000 1.257 385 W HN 0.585 nan 8.180 nan 0.000 0.554 386 Q N 1.668 121.326 119.800 -0.236 0.000 2.164 386 Q HA 0.093 4.433 4.340 0.000 0.000 0.226 386 Q C -0.575 175.039 176.000 -0.643 0.000 0.813 386 Q CA 0.183 55.736 55.803 -0.416 0.000 0.978 386 Q CB 0.826 29.242 28.738 -0.537 0.000 1.149 386 Q HN 0.538 nan 8.270 nan 0.000 0.489 387 H N -2.322 116.778 119.070 0.051 0.000 2.895 387 H HA 0.223 4.779 4.556 0.000 0.000 0.373 387 H C -0.373 175.076 175.328 0.202 0.000 1.174 387 H CA -0.738 55.364 56.048 0.090 0.000 1.144 387 H CB 0.929 30.779 29.762 0.147 0.000 1.793 387 H HN -0.143 nan 8.280 nan 0.000 0.551 388 F N -0.417 119.777 119.950 0.407 0.000 2.325 388 F HA -0.031 4.496 4.527 0.000 0.000 0.299 388 F C 0.862 176.819 175.800 0.261 0.000 1.090 388 F CA 0.974 59.173 58.000 0.332 0.000 1.392 388 F CB 0.144 39.294 39.000 0.251 0.000 1.053 388 F HN 0.486 nan 8.300 nan 0.000 0.521 389 H N 0.090 119.339 119.070 0.298 0.000 2.860 389 H HA 0.417 4.974 4.556 0.000 0.000 0.312 389 H C -0.934 174.418 175.328 0.040 0.000 0.995 389 H CA -1.836 54.254 56.048 0.070 0.000 1.311 389 H CB 0.274 30.075 29.762 0.065 0.000 1.478 389 H HN -0.051 nan 8.280 nan 0.000 0.508 390 F N 2.819 122.602 119.950 -0.278 0.000 2.741 390 F HA 0.626 5.154 4.527 0.000 0.000 0.313 390 F C -2.235 173.305 175.800 -0.435 0.000 1.153 390 F CA -1.173 56.542 58.000 -0.474 0.000 0.931 390 F CB 0.631 39.319 39.000 -0.520 0.000 1.335 390 F HN 0.260 nan 8.300 nan 0.000 0.460 391 V N 1.607 121.412 119.914 -0.181 0.000 2.604 391 V HA 0.938 5.058 4.120 0.000 0.000 0.305 391 V C -1.077 175.015 176.094 -0.003 0.000 1.043 391 V CA -0.220 61.973 62.300 -0.179 0.000 0.888 391 V CB 1.376 33.053 31.823 -0.243 0.000 0.995 391 V HN 1.490 nan 8.190 nan 0.000 0.429 392 A N 5.061 127.907 122.820 0.044 0.000 2.414 392 A HA 0.917 5.237 4.320 0.000 0.000 0.306 392 A C -0.838 176.735 177.584 -0.018 0.000 1.054 392 A CA -0.559 51.511 52.037 0.055 0.000 0.724 392 A CB 1.789 20.985 19.000 0.328 0.000 1.267 392 A HN 0.888 nan 8.150 nan 0.000 0.418 393 E N 0.328 120.437 120.200 -0.152 0.000 2.352 393 E HA 0.604 4.954 4.350 0.000 0.000 0.280 393 E C -1.504 175.105 176.600 0.015 0.000 0.930 393 E CA -0.303 56.127 56.400 0.049 0.000 0.765 393 E CB 2.281 32.068 29.700 0.144 0.000 1.219 393 E HN 0.647 nan 8.360 nan 0.000 0.434 394 T N 2.105 116.759 114.554 0.168 0.000 2.903 394 T HA 0.435 4.785 4.350 0.000 0.000 0.299 394 T C -1.703 172.949 174.700 -0.080 0.000 1.093 394 T CA -0.686 61.457 62.100 0.071 0.000 1.002 394 T CB 1.369 70.528 68.868 0.484 0.000 1.127 394 T HN 0.347 nan 8.240 nan 0.000 0.488 395 K N 3.092 123.250 120.400 -0.403 0.000 2.450 395 K HA 0.717 5.037 4.320 0.000 0.000 0.257 395 K C -1.689 174.881 176.600 -0.049 0.000 0.953 395 K CA -0.659 55.374 56.287 -0.423 0.000 0.844 395 K CB 1.524 33.544 32.500 -0.800 0.000 1.103 395 K HN 0.391 nan 8.250 nan 0.000 0.429 396 V N 3.476 123.402 119.914 0.019 0.000 2.709 396 V HA 0.537 4.658 4.120 0.000 0.000 0.308 396 V C -1.200 174.871 176.094 -0.039 0.000 1.062 396 V CA -0.398 61.839 62.300 -0.105 0.000 0.901 396 V CB 2.102 33.647 31.823 -0.463 0.000 1.003 396 V HN 0.890 nan 8.190 nan 0.000 0.425 397 S N 6.585 122.187 115.700 -0.163 0.000 2.437 397 S HA 0.835 5.305 4.470 0.000 0.000 0.305 397 S C -1.126 173.413 174.600 -0.102 0.000 1.109 397 S CA -0.476 57.563 58.200 -0.268 0.000 1.099 397 S CB 1.299 64.126 63.200 -0.621 0.000 1.004 397 S HN 1.060 nan 8.310 nan 0.000 0.475 398 F N 2.606 122.404 119.950 -0.252 0.000 2.622 398 F HA 0.527 5.054 4.527 0.000 0.000 0.318 398 F C -1.037 174.659 175.800 -0.173 0.000 1.135 398 F CA -0.838 57.028 58.000 -0.223 0.000 1.015 398 F CB 1.763 40.657 39.000 -0.177 0.000 1.275 398 F HN 0.675 nan 8.300 nan 0.000 0.457 399 R N 6.078 126.106 120.500 -0.786 0.000 2.494 399 R HA 0.321 4.661 4.340 0.000 0.000 0.284 399 R C -2.897 172.900 176.300 -0.839 0.000 1.525 399 R CA -1.604 54.114 56.100 -0.638 0.000 1.460 399 R CB 1.137 31.201 30.300 -0.394 0.000 1.134 399 R HN 0.329 nan 8.270 nan 0.000 0.592 400 P HA 0.098 nan 4.420 nan 0.000 0.275 400 P C 0.565 177.594 177.300 -0.451 0.000 1.227 400 P CA -0.022 62.688 63.100 -0.649 0.000 0.781 400 P CB 1.125 32.651 31.700 -0.290 0.000 0.906 401 T N -2.079 112.137 114.554 -0.564 0.000 3.044 401 T HA 0.210 4.561 4.350 0.000 0.000 0.260 401 T C 0.457 174.380 174.700 -1.296 0.000 1.019 401 T CA -0.036 61.537 62.100 -0.877 0.000 0.921 401 T CB -0.196 68.321 68.868 -0.586 0.000 1.053 401 T HN 0.578 nan 8.240 nan 0.000 0.533 402 T N 0.378 114.462 114.554 -0.782 0.000 2.885 402 T HA 0.432 4.782 4.350 0.000 0.000 0.322 402 T C -0.014 174.667 174.700 -0.032 0.000 1.387 402 T CA -0.804 60.949 62.100 -0.577 0.000 1.041 402 T CB 0.646 69.145 68.868 -0.615 0.000 1.287 402 T HN 0.095 nan 8.240 nan 0.000 0.491 403 F N 1.727 121.899 119.950 0.370 0.000 2.449 403 F HA 0.101 4.628 4.527 0.000 0.000 0.299 403 F C 1.940 177.855 175.800 0.192 0.000 1.092 403 F CA 0.633 58.819 58.000 0.309 0.000 1.446 403 F CB -0.866 38.296 39.000 0.269 0.000 1.084 403 F HN 0.583 nan 8.300 nan 0.000 0.567 404 Q N 0.486 120.269 119.800 -0.029 0.000 2.472 404 Q HA 0.043 4.383 4.340 0.000 0.000 0.208 404 Q C 0.115 176.172 176.000 0.095 0.000 0.958 404 Q CA 0.489 56.323 55.803 0.051 0.000 0.932 404 Q CB -0.091 28.586 28.738 -0.102 0.000 1.007 404 Q HN 0.608 nan 8.270 nan 0.000 0.508 405 Q N 0.533 120.408 119.800 0.126 0.000 2.309 405 Q HA 0.432 4.773 4.340 0.000 0.000 0.264 405 Q C -0.721 175.487 176.000 0.348 0.000 1.008 405 Q CA -0.484 55.453 55.803 0.223 0.000 0.853 405 Q CB 2.157 31.010 28.738 0.192 0.000 1.314 405 Q HN 0.073 nan 8.270 nan 0.000 0.448 406 S N -0.025 115.867 115.700 0.320 0.000 2.596 406 S HA 0.922 5.392 4.470 0.000 0.000 0.270 406 S C -1.623 172.867 174.600 -0.184 0.000 1.155 406 S CA -0.750 57.586 58.200 0.227 0.000 0.827 406 S CB 1.950 65.245 63.200 0.158 0.000 1.130 406 S HN 0.762 nan 8.310 nan 0.000 0.467 407 A N 0.087 122.753 122.820 -0.257 0.000 2.540 407 A HA 0.976 5.296 4.320 0.000 0.000 0.297 407 A C -0.080 177.508 177.584 0.007 0.000 1.056 407 A CA -0.167 51.679 52.037 -0.319 0.000 0.700 407 A CB 0.935 19.328 19.000 -1.012 0.000 1.280 407 A HN 2.226 nan 8.150 nan 0.000 0.398 408 G N -0.449 108.466 108.800 0.192 0.000 2.554 408 G HA2 0.625 4.585 3.960 0.000 0.000 0.306 408 G HA3 0.625 4.585 3.960 0.000 0.000 0.306 408 G C -2.066 173.035 174.900 0.334 0.000 1.320 408 G CA -0.476 44.771 45.100 0.245 0.000 0.800 408 G HN 1.552 nan 8.290 nan 0.000 0.481 409 L N 0.747 122.167 121.223 0.327 0.000 2.275 409 L HA 0.767 5.107 4.340 0.000 0.000 0.288 409 L C -0.477 176.616 176.870 0.372 0.000 1.046 409 L CA -0.571 54.519 54.840 0.417 0.000 0.805 409 L CB 1.516 43.877 42.059 0.503 0.000 1.193 409 L HN 0.347 nan 8.230 nan 0.000 0.426 410 V N 4.838 125.010 119.914 0.430 0.000 2.555 410 V HA 0.529 4.649 4.120 0.000 0.000 0.302 410 V C -0.387 176.051 176.094 0.572 0.000 1.038 410 V CA -0.870 61.665 62.300 0.391 0.000 0.887 410 V CB 1.812 33.717 31.823 0.137 0.000 0.991 410 V HN 0.746 nan 8.190 nan 0.000 0.434 411 N N 2.968 122.012 118.700 0.572 0.000 2.424 411 N HA 0.457 5.197 4.740 0.000 0.000 0.271 411 N C -1.603 174.236 175.510 0.549 0.000 0.985 411 N CA -0.272 53.123 53.050 0.575 0.000 0.921 411 N CB 2.310 41.062 38.487 0.442 0.000 1.149 411 N HN 0.803 nan 8.380 nan 0.000 0.492 412 Y N 2.242 122.778 120.300 0.393 0.000 2.386 412 Y HA 0.170 4.720 4.550 0.000 0.000 0.334 412 Y C -0.601 175.502 175.900 0.337 0.000 1.002 412 Y CA -0.660 57.683 58.100 0.405 0.000 1.068 412 Y CB 1.107 39.864 38.460 0.494 0.000 1.203 412 Y HN 0.535 nan 8.280 nan 0.000 0.443 413 Y N 4.580 124.777 120.300 -0.172 0.000 2.333 413 Y HA 0.231 4.781 4.550 0.000 0.000 0.287 413 Y C 0.053 175.753 175.900 -0.332 0.000 1.149 413 Y CA 1.171 59.176 58.100 -0.158 0.000 1.193 413 Y CB 0.425 38.787 38.460 -0.163 0.000 1.175 413 Y HN 0.754 nan 8.280 nan 0.000 0.518 414 N N -2.431 116.019 118.700 -0.417 0.000 3.316 414 N HA 0.096 4.836 4.740 0.000 0.000 0.300 414 N C 0.391 175.669 175.510 -0.387 0.000 1.567 414 N CA 0.196 52.998 53.050 -0.414 0.000 0.821 414 N CB 0.375 38.825 38.487 -0.062 0.000 1.748 414 N HN 0.038 nan 8.380 nan 0.000 0.603 415 T N -2.948 111.598 114.554 -0.013 0.000 2.929 415 T HA -0.131 4.219 4.350 0.000 0.000 0.271 415 T C 0.782 175.647 174.700 0.276 0.000 1.085 415 T CA 1.340 63.563 62.100 0.204 0.000 1.125 415 T CB -0.394 68.563 68.868 0.149 0.000 0.874 415 T HN 0.591 nan 8.240 nan 0.000 0.494 416 Q N 0.629 120.459 119.800 0.050 0.000 2.247 416 Q HA 0.269 4.610 4.340 0.000 0.000 0.211 416 Q C -0.265 175.558 176.000 -0.296 0.000 0.861 416 Q CA -0.071 55.682 55.803 -0.083 0.000 0.949 416 Q CB 0.486 29.157 28.738 -0.112 0.000 1.115 416 Q HN 0.515 nan 8.270 nan 0.000 0.507 417 N N 1.335 119.881 118.700 -0.256 0.000 2.577 417 N HA 0.222 4.963 4.740 0.000 0.000 0.275 417 N C -1.450 173.983 175.510 -0.128 0.000 1.091 417 N CA -0.175 52.706 53.050 -0.282 0.000 0.843 417 N CB 1.462 39.828 38.487 -0.202 0.000 1.295 417 N HN 0.194 nan 8.380 nan 0.000 0.530 418 W N 0.249 121.502 121.300 -0.080 0.000 3.057 418 W HA 0.442 5.103 4.660 0.000 0.000 0.328 418 W C -1.337 175.216 176.519 0.055 0.000 1.232 418 W CA -0.896 56.445 57.345 -0.006 0.000 1.187 418 W CB 0.647 30.114 29.460 0.012 0.000 1.417 418 W HN 0.198 nan 8.180 nan 0.000 0.569 419 T N -0.569 114.310 114.554 0.542 0.000 2.903 419 T HA 0.677 5.027 4.350 0.000 0.000 0.299 419 T C -1.317 173.617 174.700 0.390 0.000 1.093 419 T CA -0.523 61.810 62.100 0.389 0.000 1.002 419 T CB 2.539 71.479 68.868 0.120 0.000 1.127 419 T HN 0.715 nan 8.240 nan 0.000 0.488 420 T N 1.567 116.224 114.554 0.171 0.000 2.923 420 T HA 0.553 4.904 4.350 0.000 0.000 0.311 420 T C -1.942 172.560 174.700 -0.329 0.000 1.183 420 T CA -0.702 61.371 62.100 -0.044 0.000 1.020 420 T CB 1.478 70.350 68.868 0.006 0.000 1.165 420 T HN 0.853 nan 8.240 nan 0.000 0.482 421 L N 5.891 126.816 121.223 -0.497 0.000 2.264 421 L HA 0.624 4.964 4.340 0.000 0.000 0.287 421 L C -0.277 176.584 176.870 -0.015 0.000 1.039 421 L CA 0.055 54.716 54.840 -0.297 0.000 0.829 421 L CB 0.564 42.433 42.059 -0.317 0.000 1.211 421 L HN 0.749 nan 8.230 nan 0.000 0.427 422 Q N 4.205 124.024 119.800 0.032 0.000 2.413 422 Q HA 0.650 4.990 4.340 0.000 0.000 0.276 422 Q C -1.232 174.844 176.000 0.127 0.000 1.099 422 Q CA -0.967 54.890 55.803 0.090 0.000 0.814 422 Q CB 2.197 30.977 28.738 0.071 0.000 1.379 422 Q HN 0.620 nan 8.270 nan 0.000 0.436 423 I N 1.929 122.602 120.570 0.172 0.000 2.342 423 I HA 0.386 4.556 4.170 0.000 0.000 0.291 423 I C 0.209 176.523 176.117 0.329 0.000 1.010 423 I CA -0.044 61.401 61.300 0.241 0.000 1.308 423 I CB 1.553 39.743 38.000 0.316 0.000 1.400 423 I HN 0.813 nan 8.210 nan 0.000 0.488 424 T N 4.305 119.028 114.554 0.282 0.000 2.618 424 T HA 0.485 4.836 4.350 0.000 0.000 0.286 424 T C -2.185 172.709 174.700 0.324 0.000 1.027 424 T CA -0.534 61.765 62.100 0.332 0.000 1.063 424 T CB 1.128 70.176 68.868 0.300 0.000 1.440 424 T HN 0.534 nan 8.240 nan 0.000 0.505 425 W N 1.532 122.920 121.300 0.147 0.000 2.819 425 W HA 0.673 5.334 4.660 0.000 0.000 0.337 425 W C -1.333 175.323 176.519 0.227 0.000 1.077 425 W CA -0.520 56.898 57.345 0.121 0.000 1.226 425 W CB 1.133 30.611 29.460 0.030 0.000 1.419 425 W HN 0.719 nan 8.180 nan 0.000 0.502 426 H N 3.845 122.486 119.070 -0.716 0.000 2.679 426 H HA 0.193 4.749 4.556 0.000 0.000 0.360 426 H C 0.439 175.036 175.328 -1.217 0.000 1.105 426 H CA -0.290 55.369 56.048 -0.647 0.000 1.196 426 H CB 2.144 31.716 29.762 -0.317 0.000 1.636 426 H HN 0.612 nan 8.280 nan 0.000 0.531 427 E N 2.656 122.065 120.200 -1.318 0.000 2.114 427 E HA -0.242 4.108 4.350 0.000 0.000 0.199 427 E C 1.074 177.359 176.600 -0.526 0.000 1.008 427 E CA 2.210 58.089 56.400 -0.868 0.000 0.810 427 E CB 0.341 29.791 29.700 -0.417 0.000 0.739 427 E HN 0.631 nan 8.360 nan 0.000 0.456 428 E N -0.092 119.880 120.200 -0.380 0.000 2.079 428 E HA 0.048 4.399 4.350 0.000 0.000 0.191 428 E C 1.397 177.979 176.600 -0.029 0.000 0.961 428 E CA 0.862 57.217 56.400 -0.074 0.000 0.823 428 E CB 0.134 29.876 29.700 0.071 0.000 0.789 428 E HN 0.063 nan 8.360 nan 0.000 0.459 429 K N 0.063 120.522 120.400 0.098 0.000 2.444 429 K HA 0.225 4.545 4.320 0.000 0.000 0.193 429 K C 0.911 177.439 176.600 -0.120 0.000 1.024 429 K CA 0.368 56.639 56.287 -0.028 0.000 1.077 429 K CB 0.502 32.951 32.500 -0.085 0.000 0.833 429 K HN 0.223 nan 8.250 nan 0.000 0.517 430 G N 2.666 111.290 108.800 -0.293 0.000 2.550 430 G HA2 -0.376 3.584 3.960 0.000 0.000 0.277 430 G HA3 -0.376 3.584 3.960 0.000 0.000 0.277 430 G C -0.533 174.194 174.900 -0.288 0.000 1.190 430 G CA -0.017 44.870 45.100 -0.355 0.000 0.971 430 G HN 0.416 nan 8.290 nan 0.000 0.559 431 R N 1.172 121.667 120.500 -0.009 0.000 2.351 431 R HA 0.447 4.787 4.340 0.000 0.000 0.318 431 R C 0.591 176.902 176.300 0.020 0.000 1.055 431 R CA 0.349 56.492 56.100 0.073 0.000 0.968 431 R CB -0.608 29.734 30.300 0.070 0.000 0.974 431 R HN 0.798 nan 8.270 nan 0.000 0.439 432 I N 1.121 121.720 120.570 0.048 0.000 2.957 432 I HA 0.487 4.658 4.170 0.000 0.000 0.310 432 I C -1.077 175.076 176.117 0.060 0.000 1.063 432 I CA -1.406 59.910 61.300 0.028 0.000 1.033 432 I CB 1.858 39.850 38.000 -0.014 0.000 1.230 432 I HN 0.397 nan 8.210 nan 0.000 0.447 433 L N 2.323 123.560 121.223 0.022 0.000 2.317 433 L HA 0.596 4.936 4.340 0.000 0.000 0.281 433 L C -0.542 176.327 176.870 -0.002 0.000 1.024 433 L CA -0.210 54.635 54.840 0.008 0.000 0.810 433 L CB 1.716 43.719 42.059 -0.094 0.000 1.240 433 L HN 0.855 nan 8.230 nan 0.000 0.427 434 E N 3.532 123.751 120.200 0.033 0.000 2.413 434 E HA 0.577 4.928 4.350 0.000 0.000 0.277 434 E C -1.706 174.928 176.600 0.057 0.000 0.958 434 E CA -0.981 55.446 56.400 0.045 0.000 0.779 434 E CB 1.942 31.678 29.700 0.060 0.000 1.278 434 E HN 0.351 nan 8.360 nan 0.000 0.456 435 L N 1.608 122.885 121.223 0.089 0.000 2.343 435 L HA 0.615 4.956 4.340 0.000 0.000 0.275 435 L C -0.104 176.853 176.870 0.145 0.000 1.056 435 L CA -0.745 54.163 54.840 0.112 0.000 0.804 435 L CB 1.441 43.653 42.059 0.256 0.000 1.203 435 L HN 0.593 nan 8.230 nan 0.000 0.440 436 M N 2.363 122.059 119.600 0.160 0.000 2.378 436 M HA 0.464 4.944 4.480 0.000 0.000 0.289 436 M C -1.109 175.335 176.300 0.241 0.000 1.136 436 M CA -0.293 55.141 55.300 0.224 0.000 0.917 436 M CB 2.447 35.228 32.600 0.302 0.000 1.669 436 M HN 0.721 nan 8.290 nan 0.000 0.461 437 T N 0.434 115.037 114.554 0.081 0.000 2.893 437 T HA 0.676 5.027 4.350 0.000 0.000 0.291 437 T C -1.270 173.108 174.700 -0.537 0.000 1.028 437 T CA -0.749 61.284 62.100 -0.113 0.000 0.995 437 T CB 1.673 70.571 68.868 0.050 0.000 1.051 437 T HN 0.804 nan 8.240 nan 0.000 0.470 438 C N 2.894 121.609 119.300 -0.976 0.000 2.364 438 C HA 0.709 5.169 4.460 0.000 0.000 0.324 438 C C -1.283 173.363 174.990 -0.572 0.000 1.234 438 C CA -0.435 57.961 59.018 -1.037 0.000 1.417 438 C CB 0.236 26.736 27.740 -2.066 0.000 2.101 438 C HN 1.021 nan 8.230 nan 0.000 0.466 439 D N 3.322 123.558 120.400 -0.274 0.000 2.505 439 D HA 0.299 4.939 4.640 0.000 0.000 0.250 439 D C 0.007 176.341 176.300 0.058 0.000 1.164 439 D CA -0.070 53.904 54.000 -0.045 0.000 0.870 439 D CB 0.387 41.226 40.800 0.065 0.000 1.160 439 D HN 0.823 nan 8.370 nan 0.000 0.549 440 H N 2.971 121.979 119.070 -0.103 0.000 2.626 440 H HA -0.230 4.326 4.556 0.000 0.000 0.317 440 H C 1.268 176.549 175.328 -0.078 0.000 1.140 440 H CA 0.755 56.748 56.048 -0.092 0.000 1.134 440 H CB -0.877 28.827 29.762 -0.097 0.000 1.486 440 H HN 0.439 nan 8.280 nan 0.000 0.417 441 L N -3.130 118.056 121.223 -0.062 0.000 4.610 441 L HA -0.230 4.110 4.340 0.000 0.000 0.397 441 L C -0.129 176.715 176.870 -0.043 0.000 0.806 441 L CA 1.429 56.245 54.840 -0.039 0.000 2.169 441 L CB -0.814 41.255 42.059 0.015 0.000 1.402 441 L HN 0.197 nan 8.230 nan 0.000 0.603 442 V N 1.157 121.045 119.914 -0.044 0.000 2.455 442 V HA 0.406 4.526 4.120 0.000 0.000 0.273 442 V C 0.579 176.617 176.094 -0.094 0.000 1.045 442 V CA -0.193 62.084 62.300 -0.039 0.000 0.976 442 V CB 1.334 33.151 31.823 -0.010 0.000 0.993 442 V HN 0.037 nan 8.190 nan 0.000 0.475 443 V N 4.434 124.307 119.914 -0.069 0.000 2.483 443 V HA 0.501 4.622 4.120 0.000 0.000 0.295 443 V C -0.375 175.702 176.094 -0.030 0.000 1.035 443 V CA -0.420 61.828 62.300 -0.086 0.000 0.896 443 V CB 2.015 33.826 31.823 -0.019 0.000 0.986 443 V HN 0.963 nan 8.190 nan 0.000 0.447 444 D N 2.371 122.758 120.400 -0.022 0.000 2.575 444 D HA 0.474 5.114 4.640 0.000 0.000 0.236 444 D C -0.829 175.507 176.300 0.061 0.000 1.075 444 D CA -0.461 53.553 54.000 0.023 0.000 0.860 444 D CB 2.135 42.952 40.800 0.028 0.000 1.475 444 D HN 0.518 nan 8.370 nan 0.000 0.474 445 Q N 3.059 122.897 119.800 0.063 0.000 2.523 445 Q HA 0.285 4.625 4.340 0.000 0.000 0.251 445 Q C -1.753 174.288 176.000 0.068 0.000 1.033 445 Q CA -1.598 54.253 55.803 0.080 0.000 0.746 445 Q CB 2.202 30.980 28.738 0.068 0.000 1.189 445 Q HN 0.322 nan 8.270 nan 0.000 0.508 446 P HA -0.094 nan 4.420 nan 0.000 0.225 446 P C 0.624 177.953 177.300 0.049 0.000 1.156 446 P CA 0.530 63.668 63.100 0.064 0.000 0.787 446 P CB 0.456 32.204 31.700 0.080 0.000 0.802 447 L N -0.529 120.732 121.223 0.063 0.000 2.627 447 L HA 0.200 4.540 4.340 0.000 0.000 0.232 447 L C 1.145 178.022 176.870 0.011 0.000 1.150 447 L CA -0.381 54.484 54.840 0.041 0.000 0.917 447 L CB -1.457 40.633 42.059 0.053 0.000 1.104 447 L HN -0.157 nan 8.230 nan 0.000 0.445 448 R N 0.355 120.863 120.500 0.012 0.000 2.560 448 R HA 0.034 4.374 4.340 0.000 0.000 0.296 448 R C 1.362 177.646 176.300 -0.027 0.000 0.873 448 R CA 1.119 57.215 56.100 -0.006 0.000 1.140 448 R CB -0.185 30.118 30.300 0.005 0.000 0.875 448 R HN 0.486 nan 8.270 nan 0.000 0.419 449 G N 3.345 112.109 108.800 -0.060 0.000 2.166 449 G HA2 -0.351 3.609 3.960 0.000 0.000 0.260 449 G HA3 -0.351 3.609 3.960 0.000 0.000 0.260 449 G C 0.561 175.421 174.900 -0.067 0.000 0.986 449 G CA 0.762 45.817 45.100 -0.074 0.000 0.683 449 G HN 0.680 nan 8.290 nan 0.000 0.527 450 R N -0.300 120.164 120.500 -0.060 0.000 2.534 450 R HA 0.266 4.606 4.340 0.000 0.000 0.438 450 R C -0.047 176.234 176.300 -0.031 0.000 0.913 450 R CA -0.159 55.921 56.100 -0.033 0.000 1.130 450 R CB 0.403 30.698 30.300 -0.008 0.000 1.611 450 R HN 0.401 nan 8.270 nan 0.000 0.571 451 E N 0.855 121.014 120.200 -0.068 0.000 2.404 451 E HA 0.061 4.411 4.350 0.000 0.000 0.261 451 E C 0.012 176.584 176.600 -0.047 0.000 1.074 451 E CA 0.085 56.448 56.400 -0.061 0.000 0.917 451 E CB 0.736 30.375 29.700 -0.102 0.000 0.965 451 E HN 0.116 nan 8.360 nan 0.000 0.433 452 I N 2.577 123.118 120.570 -0.048 0.000 2.436 452 I HA 0.025 4.196 4.170 0.000 0.000 0.289 452 I C -0.090 176.033 176.117 0.010 0.000 1.083 452 I CA -0.236 61.042 61.300 -0.036 0.000 1.372 452 I CB 0.061 37.932 38.000 -0.214 0.000 1.408 452 I HN 0.220 nan 8.210 nan 0.000 0.516 453 V N 7.980 127.919 119.914 0.043 0.000 2.470 453 V HA 0.068 4.189 4.120 0.000 0.000 0.276 453 V C 0.490 176.623 176.094 0.065 0.000 1.040 453 V CA -0.404 61.915 62.300 0.031 0.000 1.008 453 V CB 1.391 33.224 31.823 0.017 0.000 0.990 453 V HN 0.422 nan 8.190 nan 0.000 0.477 454 V N 8.608 128.512 119.914 -0.016 0.000 2.432 454 V HA 0.255 4.375 4.120 0.000 0.000 0.271 454 V C -2.020 173.954 176.094 -0.201 0.000 1.046 454 V CA -1.716 60.469 62.300 -0.192 0.000 0.945 454 V CB 1.089 32.807 31.823 -0.174 0.000 0.992 454 V HN 0.778 nan 8.190 nan 0.000 0.471 455 P HA 0.095 nan 4.420 nan 0.000 0.268 455 P C 0.601 177.812 177.300 -0.149 0.000 1.204 455 P CA -0.099 62.904 63.100 -0.161 0.000 0.768 455 P CB 0.619 32.230 31.700 -0.148 0.000 0.842 456 D N 2.093 122.442 120.400 -0.085 0.000 2.239 456 D HA -0.217 4.423 4.640 0.000 0.000 0.202 456 D C 0.935 177.189 176.300 -0.076 0.000 0.993 456 D CA 1.489 55.447 54.000 -0.070 0.000 0.874 456 D CB -0.126 40.650 40.800 -0.040 0.000 0.922 456 D HN 0.423 nan 8.370 nan 0.000 0.464 457 D N -0.741 119.616 120.400 -0.072 0.000 2.339 457 D HA -0.063 4.577 4.640 0.000 0.000 0.217 457 D C 0.420 176.685 176.300 -0.057 0.000 1.050 457 D CA -0.241 53.728 54.000 -0.051 0.000 0.856 457 D CB -0.056 40.730 40.800 -0.024 0.000 0.922 457 D HN 0.182 nan 8.370 nan 0.000 0.518 458 I N 1.859 122.361 120.570 -0.113 0.000 2.352 458 I HA 0.104 4.274 4.170 0.000 0.000 0.290 458 I C 1.455 177.517 176.117 -0.092 0.000 1.036 458 I CA -0.166 61.067 61.300 -0.110 0.000 1.336 458 I CB 1.218 39.037 38.000 -0.302 0.000 1.407 458 I HN 0.025 nan 8.210 nan 0.000 0.497 459 E N 5.568 125.746 120.200 -0.037 0.000 2.042 459 E HA -0.045 4.305 4.350 0.000 0.000 0.189 459 E C -0.389 176.064 176.600 -0.244 0.000 0.974 459 E CA 0.817 57.122 56.400 -0.159 0.000 0.806 459 E CB 0.310 29.916 29.700 -0.156 0.000 0.769 459 E HN 0.510 nan 8.360 nan 0.000 0.451 460 Y N 0.430 120.759 120.300 0.049 0.000 2.331 460 Y HA 0.334 4.884 4.550 0.000 0.000 0.338 460 Y C -0.525 175.437 175.900 0.104 0.000 0.992 460 Y CA -1.006 57.099 58.100 0.009 0.000 1.121 460 Y CB 1.805 40.217 38.460 -0.079 0.000 1.184 460 Y HN -0.203 nan 8.280 nan 0.000 0.469 461 V N 4.407 124.460 119.914 0.232 0.000 2.509 461 V HA 0.231 4.351 4.120 0.000 0.000 0.284 461 V C -0.682 175.581 176.094 0.283 0.000 1.047 461 V CA -1.112 61.417 62.300 0.381 0.000 0.952 461 V CB 0.465 32.493 31.823 0.342 0.000 0.988 461 V HN 0.590 nan 8.190 nan 0.000 0.469 462 Y N 4.833 125.298 120.300 0.274 0.000 2.330 462 Y HA 0.680 5.230 4.550 0.000 0.000 0.336 462 Y C 0.035 176.190 175.900 0.424 0.000 1.036 462 Y CA -0.673 57.580 58.100 0.256 0.000 1.125 462 Y CB 1.383 39.822 38.460 -0.034 0.000 1.194 462 Y HN 0.414 nan 8.280 nan 0.000 0.469 463 L N 4.628 126.227 121.223 0.627 0.000 2.385 463 L HA 0.696 5.036 4.340 0.000 0.000 0.273 463 L C -0.546 176.674 176.870 0.583 0.000 0.990 463 L CA -0.838 54.370 54.840 0.613 0.000 0.821 463 L CB 2.307 44.647 42.059 0.469 0.000 1.279 463 L HN 0.578 nan 8.230 nan 0.000 0.412 464 R N 1.884 122.717 120.500 0.554 0.000 2.744 464 R HA 0.831 5.171 4.340 0.000 0.000 0.279 464 R C -2.028 174.441 176.300 0.283 0.000 0.977 464 R CA -0.593 55.675 56.100 0.280 0.000 0.906 464 R CB 2.705 32.948 30.300 -0.096 0.000 1.197 464 R HN 0.403 nan 8.270 nan 0.000 0.463 465 V N 2.756 122.736 119.914 0.109 0.000 2.638 465 V HA 0.562 4.682 4.120 0.000 0.000 0.306 465 V C -1.356 174.619 176.094 -0.198 0.000 1.052 465 V CA -0.228 62.023 62.300 -0.081 0.000 0.885 465 V CB 2.381 34.077 31.823 -0.212 0.000 0.999 465 V HN 0.905 nan 8.190 nan 0.000 0.424 466 T N 6.144 120.574 114.554 -0.208 0.000 2.791 466 T HA 0.510 4.860 4.350 0.000 0.000 0.288 466 T C -0.554 173.977 174.700 -0.283 0.000 0.999 466 T CA -0.273 61.671 62.100 -0.261 0.000 0.952 466 T CB 1.275 70.049 68.868 -0.156 0.000 0.938 466 T HN 0.482 nan 8.240 nan 0.000 0.444 467 V N 4.703 124.275 119.914 -0.570 0.000 2.394 467 V HA 0.357 4.477 4.120 0.000 0.000 0.282 467 V C 0.098 176.097 176.094 -0.158 0.000 1.031 467 V CA -0.551 61.422 62.300 -0.545 0.000 0.881 467 V CB 1.342 32.323 31.823 -1.403 0.000 0.982 467 V HN 0.838 nan 8.190 nan 0.000 0.451 468 Q N 3.874 123.672 119.800 -0.003 0.000 2.907 468 Q HA 0.583 4.923 4.340 0.000 0.000 0.262 468 Q C 0.805 176.822 176.000 0.029 0.000 0.997 468 Q CA 0.236 56.042 55.803 0.004 0.000 0.797 468 Q CB 1.521 30.220 28.738 -0.065 0.000 1.228 468 Q HN 1.028 nan 8.270 nan 0.000 0.466 469 A N 0.948 123.841 122.820 0.121 0.000 5.023 469 A HA -0.419 3.901 4.320 0.000 0.000 0.346 469 A C 1.793 179.510 177.584 0.221 0.000 1.724 469 A CA 2.821 54.963 52.037 0.175 0.000 0.700 469 A CB -2.235 16.760 19.000 -0.009 0.000 1.464 469 A HN 0.745 nan 8.150 nan 0.000 0.404 470 T N -2.058 112.570 114.554 0.123 0.000 2.985 470 T HA 0.346 4.697 4.350 0.000 0.000 0.266 470 T C 0.926 175.734 174.700 0.180 0.000 1.076 470 T CA 2.167 64.356 62.100 0.149 0.000 1.135 470 T CB -0.854 68.052 68.868 0.064 0.000 0.890 470 T HN 2.205 nan 8.240 nan 0.000 0.480 471 T N -0.241 114.403 114.554 0.149 0.000 2.901 471 T HA 0.674 5.025 4.350 0.000 0.000 0.293 471 T C -1.218 173.596 174.700 0.190 0.000 1.084 471 T CA -1.141 61.028 62.100 0.114 0.000 1.008 471 T CB 2.138 71.018 68.868 0.020 0.000 1.170 471 T HN 0.542 nan 8.240 nan 0.000 0.509 472 Y N -1.424 118.933 120.300 0.094 0.000 2.625 472 Y HA 0.863 5.413 4.550 0.000 0.000 0.338 472 Y C -1.332 174.625 175.900 0.094 0.000 1.123 472 Y CA -1.354 56.755 58.100 0.016 0.000 1.046 472 Y CB 1.613 40.033 38.460 -0.067 0.000 1.299 472 Y HN 0.828 nan 8.280 nan 0.000 0.464 473 K N 1.420 121.933 120.400 0.189 0.000 2.498 473 K HA 0.451 4.771 4.320 0.000 0.000 0.254 473 K C -2.066 174.624 176.600 0.151 0.000 0.933 473 K CA -0.860 55.545 56.287 0.197 0.000 0.806 473 K CB 2.327 34.899 32.500 0.120 0.000 1.301 473 K HN 0.662 nan 8.250 nan 0.000 0.432 474 Y N 0.624 121.164 120.300 0.399 0.000 2.352 474 Y HA 0.369 4.920 4.550 0.000 0.000 0.326 474 Y C 0.624 176.714 175.900 0.316 0.000 1.166 474 Y CA -0.015 58.296 58.100 0.351 0.000 1.182 474 Y CB 1.900 40.592 38.460 0.387 0.000 1.216 474 Y HN 0.618 nan 8.280 nan 0.000 0.474 475 S N 1.742 117.746 115.700 0.507 0.000 2.607 475 S HA 0.802 5.272 4.470 0.000 0.000 0.273 475 S C -1.593 173.416 174.600 0.682 0.000 1.148 475 S CA -0.894 57.594 58.200 0.481 0.000 0.833 475 S CB 1.873 65.258 63.200 0.309 0.000 1.130 475 S HN 0.669 nan 8.310 nan 0.000 0.470 476 Y N -1.389 119.199 120.300 0.479 0.000 2.615 476 Y HA 0.890 5.440 4.550 0.000 0.000 0.341 476 Y C -0.611 175.222 175.900 -0.112 0.000 1.089 476 Y CA -0.863 57.431 58.100 0.323 0.000 1.049 476 Y CB 1.380 39.927 38.460 0.145 0.000 1.296 476 Y HN 0.915 nan 8.280 nan 0.000 0.470 477 S N 0.472 115.902 115.700 -0.451 0.000 2.556 477 S HA 0.587 5.057 4.470 0.000 0.000 0.271 477 S C -1.383 173.094 174.600 -0.206 0.000 1.135 477 S CA -0.613 57.071 58.200 -0.860 0.000 0.858 477 S CB 0.761 62.835 63.200 -1.876 0.000 1.114 477 S HN 0.594 nan 8.310 nan 0.000 0.468 478 F N 1.939 121.801 119.950 -0.146 0.000 2.678 478 F HA 0.305 4.832 4.527 0.000 0.000 0.305 478 F C 1.130 176.918 175.800 -0.021 0.000 1.090 478 F CA -0.399 57.634 58.000 0.055 0.000 1.272 478 F CB 0.228 39.283 39.000 0.091 0.000 1.060 478 F HN 0.712 nan 8.300 nan 0.000 0.576 479 D N -3.725 116.551 120.400 -0.207 0.000 2.345 479 D HA 0.282 4.922 4.640 0.000 0.000 0.290 479 D C 1.677 177.586 176.300 -0.652 0.000 1.107 479 D CA 0.787 54.636 54.000 -0.251 0.000 0.836 479 D CB 0.230 40.953 40.800 -0.129 0.000 1.406 479 D HN 0.063 nan 8.370 nan 0.000 0.532 480 G N 0.217 108.242 108.800 -1.291 0.000 2.176 480 G HA2 -0.323 3.637 3.960 0.000 0.000 0.232 480 G HA3 -0.323 3.637 3.960 0.000 0.000 0.232 480 G C 0.842 175.521 174.900 -0.369 0.000 0.986 480 G CA 0.609 45.008 45.100 -1.168 0.000 0.643 480 G HN 0.311 nan 8.290 nan 0.000 0.522 481 M N -0.537 118.841 119.600 -0.369 0.000 2.532 481 M HA 0.287 4.768 4.480 0.000 0.000 0.244 481 M C 0.268 176.534 176.300 -0.057 0.000 1.390 481 M CA 0.150 55.402 55.300 -0.079 0.000 1.132 481 M CB 0.508 33.071 32.600 -0.062 0.000 1.466 481 M HN 0.042 nan 8.290 nan 0.000 0.550 482 N N 0.391 118.930 118.700 -0.269 0.000 2.469 482 N HA 0.231 4.972 4.740 0.000 0.000 0.253 482 N C -1.849 173.434 175.510 -0.378 0.000 0.970 482 N CA -0.029 52.904 53.050 -0.194 0.000 0.940 482 N CB 0.862 39.252 38.487 -0.162 0.000 1.128 482 N HN 0.086 nan 8.380 nan 0.000 0.503 483 W N 2.282 123.473 121.300 -0.182 0.000 2.551 483 W HA 0.574 5.234 4.660 0.000 0.000 0.330 483 W C 0.292 176.638 176.519 -0.288 0.000 1.063 483 W CA -0.526 56.677 57.345 -0.236 0.000 1.222 483 W CB 1.160 30.543 29.460 -0.129 0.000 1.349 483 W HN 0.182 nan 8.180 nan 0.000 0.536 484 I N 3.018 123.429 120.570 -0.266 0.000 2.418 484 I HA 0.139 4.309 4.170 0.000 0.000 0.287 484 I C -0.476 175.589 176.117 -0.085 0.000 1.008 484 I CA -1.014 60.109 61.300 -0.293 0.000 1.104 484 I CB 1.257 38.904 38.000 -0.588 0.000 1.264 484 I HN 0.194 nan 8.210 nan 0.000 0.438 485 D N 6.073 126.503 120.400 0.051 0.000 2.414 485 D HA 0.287 4.927 4.640 0.000 0.000 0.242 485 D C -0.365 176.059 176.300 0.206 0.000 1.129 485 D CA 0.272 54.357 54.000 0.141 0.000 0.885 485 D CB 0.954 41.812 40.800 0.097 0.000 1.198 485 D HN 0.228 nan 8.370 nan 0.000 0.437 486 L N 4.553 125.948 121.223 0.286 0.000 2.292 486 L HA 0.289 4.629 4.340 0.000 0.000 0.284 486 L C -1.586 175.394 176.870 0.183 0.000 1.065 486 L CA -1.487 53.519 54.840 0.277 0.000 0.806 486 L CB 1.128 43.398 42.059 0.353 0.000 1.175 486 L HN 0.276 nan 8.230 nan 0.000 0.431 487 P HA 0.048 nan 4.420 nan 0.000 0.249 487 P C -0.753 176.537 177.300 -0.017 0.000 1.686 487 P CA 0.246 63.374 63.100 0.047 0.000 0.873 487 P CB -0.122 31.601 31.700 0.038 0.000 1.828 488 V N -0.010 119.877 119.914 -0.045 0.000 2.569 488 V HA 0.248 4.368 4.120 0.000 0.000 0.301 488 V C 0.178 176.036 176.094 -0.394 0.000 1.044 488 V CA -0.378 61.758 62.300 -0.274 0.000 0.874 488 V CB 2.243 33.824 31.823 -0.404 0.000 1.002 488 V HN 0.003 nan 8.190 nan 0.000 0.424 489 T N 5.680 119.990 114.554 -0.406 0.000 2.743 489 T HA 0.647 4.998 4.350 0.000 0.000 0.293 489 T C -0.505 173.867 174.700 -0.546 0.000 0.945 489 T CA 0.075 61.971 62.100 -0.339 0.000 1.030 489 T CB 0.271 69.030 68.868 -0.181 0.000 0.912 489 T HN 0.285 nan 8.240 nan 0.000 0.483 490 F N 1.447 121.184 119.950 -0.356 0.000 2.440 490 F HA 0.421 4.948 4.527 0.000 0.000 0.328 490 F C 0.985 176.468 175.800 -0.527 0.000 1.070 490 F CA -1.129 56.533 58.000 -0.563 0.000 1.011 490 F CB 1.244 39.596 39.000 -1.079 0.000 1.226 490 F HN 0.450 nan 8.300 nan 0.000 0.491 491 E N 0.387 120.507 120.200 -0.133 0.000 2.145 491 E HA 0.239 4.589 4.350 0.000 0.000 0.270 491 E C 0.014 176.668 176.600 0.090 0.000 0.906 491 E CA -0.302 56.092 56.400 -0.010 0.000 0.761 491 E CB 1.561 31.276 29.700 0.025 0.000 1.116 491 E HN 0.553 nan 8.360 nan 0.000 0.408 492 S N 1.725 117.623 115.700 0.329 0.000 2.419 492 S HA -0.209 4.261 4.470 0.000 0.000 0.233 492 S C 1.706 176.428 174.600 0.202 0.000 1.016 492 S CA 1.092 59.579 58.200 0.478 0.000 0.974 492 S CB -0.358 63.229 63.200 0.644 0.000 0.786 492 S HN 0.689 nan 8.310 nan 0.000 0.492 493 Y N 1.747 122.038 120.300 -0.014 0.000 2.403 493 Y HA 0.099 4.649 4.550 0.000 0.000 0.291 493 Y C 1.554 177.232 175.900 -0.369 0.000 1.143 493 Y CA 0.869 58.848 58.100 -0.203 0.000 1.257 493 Y CB -0.453 37.678 38.460 -0.548 0.000 0.984 493 Y HN 0.028 nan 8.280 nan 0.000 0.550 494 K N 0.069 119.815 120.400 -1.090 0.000 2.504 494 K HA 0.040 4.360 4.320 0.000 0.000 0.195 494 K C 0.064 176.422 176.600 -0.402 0.000 1.036 494 K CA 0.294 55.904 56.287 -1.128 0.000 0.984 494 K CB 0.060 31.929 32.500 -1.051 0.000 0.788 494 K HN 0.253 nan 8.250 nan 0.000 0.488 495 L N 0.727 121.816 121.223 -0.223 0.000 3.094 495 L HA 0.122 4.463 4.340 0.000 0.000 0.254 495 L C -0.132 176.665 176.870 -0.121 0.000 1.298 495 L CA -0.001 54.755 54.840 -0.141 0.000 1.050 495 L CB 0.105 42.053 42.059 -0.185 0.000 1.420 495 L HN -0.061 nan 8.230 nan 0.000 0.548 496 S N -3.845 111.761 115.700 -0.156 0.000 2.600 496 S HA 0.472 4.943 4.470 0.000 0.000 0.300 496 S C 0.604 175.065 174.600 -0.233 0.000 1.087 496 S CA -0.757 57.431 58.200 -0.021 0.000 0.965 496 S CB 1.927 65.279 63.200 0.253 0.000 1.089 496 S HN 0.086 nan 8.310 nan 0.000 0.496 497 D N 1.515 121.881 120.400 -0.056 0.000 2.126 497 D HA -0.164 4.476 4.640 0.000 0.000 0.190 497 D C 1.228 177.510 176.300 -0.030 0.000 1.001 497 D CA 1.828 55.783 54.000 -0.075 0.000 0.841 497 D CB -0.395 40.432 40.800 0.046 0.000 0.949 497 D HN 0.716 nan 8.370 nan 0.000 0.446 498 D N -0.699 119.791 120.400 0.150 0.000 2.218 498 D HA -0.174 4.466 4.640 0.000 0.000 0.204 498 D C 1.876 178.413 176.300 0.395 0.000 0.976 498 D CA 0.549 54.692 54.000 0.238 0.000 0.853 498 D CB -0.172 40.779 40.800 0.252 0.000 0.939 498 D HN 0.307 nan 8.370 nan 0.000 0.481 499 Y N 1.527 122.029 120.300 0.337 0.000 2.439 499 Y HA -0.023 4.527 4.550 0.000 0.000 0.292 499 Y C 0.848 176.855 175.900 0.178 0.000 1.130 499 Y CA 0.170 58.462 58.100 0.320 0.000 1.254 499 Y CB 0.154 38.690 38.460 0.127 0.000 1.000 499 Y HN -0.217 nan 8.280 nan 0.000 0.554 500 I N 2.511 123.066 120.570 -0.026 0.000 2.517 500 I HA -0.038 4.132 4.170 0.000 0.000 0.285 500 I C 1.024 177.149 176.117 0.014 0.000 1.106 500 I CA 0.082 61.331 61.300 -0.085 0.000 1.402 500 I CB 1.021 38.874 38.000 -0.245 0.000 1.399 500 I HN 0.145 nan 8.210 nan 0.000 0.535 501 K N 3.701 124.229 120.400 0.214 0.000 2.288 501 K HA -0.057 4.263 4.320 0.000 0.000 0.201 501 K C 1.801 178.414 176.600 0.022 0.000 1.048 501 K CA 0.828 57.135 56.287 0.034 0.000 0.956 501 K CB -0.288 32.158 32.500 -0.090 0.000 0.746 501 K HN 0.723 nan 8.250 nan 0.000 0.461 502 S N 0.316 116.025 115.700 0.016 0.000 2.481 502 S HA -0.019 4.451 4.470 0.000 0.000 0.231 502 S C 1.018 175.598 174.600 -0.033 0.000 0.996 502 S CA 0.360 58.558 58.200 -0.004 0.000 0.942 502 S CB -0.127 63.063 63.200 -0.016 0.000 0.768 502 S HN 0.281 nan 8.310 nan 0.000 0.520 503 R N -0.247 120.203 120.500 -0.083 0.000 4.010 503 R HA -0.192 4.148 4.340 0.000 0.000 0.409 503 R C 0.216 176.318 176.300 -0.331 0.000 1.120 503 R CA 0.833 56.850 56.100 -0.137 0.000 1.244 503 R CB -2.103 28.184 30.300 -0.022 0.000 1.799 503 R HN 0.612 nan 8.270 nan 0.000 0.559 504 A N 0.684 123.308 122.820 -0.325 0.000 2.923 504 A HA 0.659 4.979 4.320 0.000 0.000 0.306 504 A C 0.147 177.329 177.584 -0.671 0.000 1.542 504 A CA 0.488 52.190 52.037 -0.557 0.000 1.225 504 A CB 0.422 19.354 19.000 -0.114 0.000 1.147 504 A HN 0.385 nan 8.150 nan 0.000 0.542 505 A N 1.514 123.661 122.820 -1.122 0.000 3.007 505 A HA 0.649 4.969 4.320 0.000 0.000 0.314 505 A C -0.717 176.516 177.584 -0.585 0.000 1.153 505 A CA -0.247 51.474 52.037 -0.527 0.000 0.780 505 A CB 0.020 18.837 19.000 -0.306 0.000 1.258 505 A HN 0.540 nan 8.150 nan 0.000 0.460 506 F N 0.508 120.215 119.950 -0.404 0.000 2.724 506 F HA 0.146 4.673 4.527 0.000 0.000 0.310 506 F C 1.742 177.045 175.800 -0.828 0.000 1.107 506 F CA 0.598 58.150 58.000 -0.748 0.000 1.218 506 F CB 0.321 38.453 39.000 -1.445 0.000 1.042 506 F HN 0.512 nan 8.300 nan 0.000 0.540 507 T N -2.361 111.855 114.554 -0.563 0.000 2.947 507 T HA 0.809 5.159 4.350 0.000 0.000 0.180 507 T C 0.826 175.094 174.700 -0.719 0.000 0.750 507 T CA 0.167 61.620 62.100 -1.078 0.000 1.687 507 T CB 0.394 68.614 68.868 -1.081 0.000 2.488 507 T HN 0.230 nan 8.240 nan 0.000 0.417 508 G N 0.001 108.430 108.800 -0.618 0.000 2.350 508 G HA2 0.532 4.492 3.960 0.000 0.000 0.304 508 G HA3 0.532 4.492 3.960 0.000 0.000 0.304 508 G C -1.056 173.746 174.900 -0.163 0.000 1.421 508 G CA -0.516 44.485 45.100 -0.165 0.000 0.934 508 G HN 0.938 nan 8.290 nan 0.000 0.632 509 A N -0.208 122.506 122.820 -0.177 0.000 2.440 509 A HA 0.752 5.073 4.320 0.000 0.000 0.251 509 A C -0.525 176.884 177.584 -0.291 0.000 1.089 509 A CA 0.202 51.995 52.037 -0.406 0.000 0.779 509 A CB -0.048 18.123 19.000 -1.382 0.000 1.022 509 A HN 0.843 nan 8.150 nan 0.000 0.492 510 F N 0.840 120.697 119.950 -0.156 0.000 2.556 510 F HA 0.581 5.109 4.527 0.000 0.000 0.327 510 F C 0.222 176.242 175.800 0.367 0.000 1.059 510 F CA -0.756 57.260 58.000 0.027 0.000 0.953 510 F CB 2.295 41.199 39.000 -0.161 0.000 1.227 510 F HN 0.416 nan 8.300 nan 0.000 0.478 511 V N 1.821 122.072 119.914 0.562 0.000 2.588 511 V HA 0.958 5.078 4.120 0.000 0.000 0.304 511 V C -0.571 175.793 176.094 0.451 0.000 1.042 511 V CA 0.072 62.756 62.300 0.639 0.000 0.877 511 V CB 1.196 33.450 31.823 0.718 0.000 0.996 511 V HN 0.894 nan 8.190 nan 0.000 0.425 512 G N 5.229 114.310 108.800 0.467 0.000 2.619 512 G HA2 0.557 4.518 3.960 0.000 0.000 0.305 512 G HA3 0.557 4.518 3.960 0.000 0.000 0.305 512 G C -1.689 173.364 174.900 0.255 0.000 1.330 512 G CA -1.011 44.166 45.100 0.129 0.000 0.789 512 G HN 0.704 nan 8.290 nan 0.000 0.487 513 M N 1.319 120.869 119.600 -0.083 0.000 2.268 513 M HA 0.444 4.925 4.480 0.000 0.000 0.344 513 M C -0.647 175.671 176.300 0.030 0.000 1.106 513 M CA -0.725 54.422 55.300 -0.254 0.000 1.010 513 M CB 2.070 33.984 32.600 -1.143 0.000 1.649 513 M HN 0.598 nan 8.290 nan 0.000 0.443 514 H N 1.378 120.474 119.070 0.042 0.000 2.747 514 H HA 0.626 5.182 4.556 0.000 0.000 0.371 514 H C -1.827 173.522 175.328 0.034 0.000 1.161 514 H CA -0.668 55.407 56.048 0.045 0.000 1.167 514 H CB 2.278 31.925 29.762 -0.192 0.000 1.732 514 H HN 0.859 nan 8.280 nan 0.000 0.544 515 C N 5.827 124.934 119.300 -0.322 0.000 2.551 515 C HA 0.471 4.932 4.460 0.000 0.000 0.332 515 C C -0.745 174.095 174.990 -0.250 0.000 1.139 515 C CA -0.647 58.247 59.018 -0.206 0.000 1.328 515 C CB 0.746 28.395 27.740 -0.152 0.000 1.903 515 C HN 0.932 nan 8.230 nan 0.000 0.459 516 R N 3.652 124.129 120.500 -0.037 0.000 2.514 516 R HA 0.528 4.868 4.340 0.000 0.000 0.301 516 R C -1.558 174.791 176.300 0.081 0.000 0.962 516 R CA -0.129 56.001 56.100 0.049 0.000 0.882 516 R CB 1.452 31.844 30.300 0.154 0.000 1.143 516 R HN 0.807 nan 8.270 nan 0.000 0.452 517 D N 3.032 123.474 120.400 0.070 0.000 2.378 517 D HA 0.231 4.871 4.640 0.000 0.000 0.265 517 D C 0.590 176.916 176.300 0.042 0.000 1.229 517 D CA -0.301 53.743 54.000 0.074 0.000 0.914 517 D CB 1.289 42.138 40.800 0.082 0.000 1.140 517 D HN 0.808 nan 8.370 nan 0.000 0.516 518 G N 1.194 110.020 108.800 0.043 0.000 2.598 518 G HA2 -0.154 3.807 3.960 0.000 0.000 0.215 518 G HA3 -0.154 3.807 3.960 0.000 0.000 0.215 518 G C 1.311 176.207 174.900 -0.006 0.000 1.131 518 G CA 0.902 46.020 45.100 0.030 0.000 0.785 518 G HN 0.468 nan 8.290 nan 0.000 0.539 519 S N -0.811 114.867 115.700 -0.036 0.000 2.478 519 S HA 0.334 4.805 4.470 0.000 0.000 0.222 519 S C 1.842 176.414 174.600 -0.047 0.000 1.008 519 S CA 1.038 59.197 58.200 -0.067 0.000 0.928 519 S CB -0.068 63.058 63.200 -0.123 0.000 0.781 519 S HN 1.427 nan 8.310 nan 0.000 0.518 520 G N 1.120 109.904 108.800 -0.026 0.000 2.149 520 G HA2 -0.250 3.710 3.960 0.000 0.000 0.235 520 G HA3 -0.250 3.710 3.960 0.000 0.000 0.235 520 G C 0.273 175.161 174.900 -0.020 0.000 1.018 520 G CA 0.317 45.407 45.100 -0.017 0.000 0.728 520 G HN 0.570 nan 8.290 nan 0.000 0.508 521 Q N -0.642 119.144 119.800 -0.023 0.000 2.320 521 Q HA 0.245 4.585 4.340 0.000 0.000 0.201 521 Q C 1.379 177.391 176.000 0.019 0.000 0.910 521 Q CA 0.230 56.018 55.803 -0.026 0.000 0.946 521 Q CB 0.211 28.909 28.738 -0.067 0.000 1.062 521 Q HN 0.502 nan 8.270 nan 0.000 0.503 522 N N 0.942 119.676 118.700 0.057 0.000 2.741 522 N HA -0.195 4.545 4.740 0.000 0.000 0.250 522 N C -0.930 174.739 175.510 0.264 0.000 1.115 522 N CA 0.322 53.461 53.050 0.148 0.000 0.724 522 N CB -1.022 37.526 38.487 0.102 0.000 1.090 522 N HN 0.256 nan 8.380 nan 0.000 0.558 523 N N 0.545 119.330 118.700 0.141 0.000 2.492 523 N HA 0.228 4.968 4.740 0.000 0.000 0.260 523 N C -0.500 175.124 175.510 0.191 0.000 1.215 523 N CA 0.377 53.464 53.050 0.061 0.000 0.923 523 N CB 0.247 38.710 38.487 -0.040 0.000 1.092 523 N HN 0.361 nan 8.380 nan 0.000 0.448 524 Y N -0.380 119.996 120.300 0.126 0.000 2.602 524 Y HA 0.846 5.397 4.550 0.000 0.000 0.342 524 Y C -0.885 175.073 175.900 0.097 0.000 1.029 524 Y CA -1.641 56.447 58.100 -0.020 0.000 1.080 524 Y CB 0.717 38.913 38.460 -0.440 0.000 1.284 524 Y HN 0.466 nan 8.280 nan 0.000 0.485 525 A N 1.106 123.990 122.820 0.107 0.000 2.365 525 A HA 0.591 4.911 4.320 0.000 0.000 0.318 525 A C -1.575 175.945 177.584 -0.108 0.000 1.091 525 A CA -0.808 51.187 52.037 -0.070 0.000 0.763 525 A CB 0.877 19.566 19.000 -0.517 0.000 1.248 525 A HN 0.740 nan 8.150 nan 0.000 0.442 526 D N 1.439 121.751 120.400 -0.146 0.000 2.280 526 D HA 0.468 5.108 4.640 0.000 0.000 0.236 526 D C -1.303 174.944 176.300 -0.088 0.000 1.082 526 D CA 0.517 54.494 54.000 -0.039 0.000 0.834 526 D CB 0.953 41.745 40.800 -0.013 0.000 1.100 526 D HN 0.316 nan 8.370 nan 0.000 0.486 527 F N 1.527 121.592 119.950 0.191 0.000 2.361 527 F HA 0.110 4.637 4.527 0.000 0.000 0.364 527 F C 1.569 177.605 175.800 0.394 0.000 1.120 527 F CA -0.732 57.417 58.000 0.249 0.000 1.102 527 F CB 1.447 40.550 39.000 0.172 0.000 1.183 527 F HN 0.183 nan 8.300 nan 0.000 0.476 528 D N 2.613 123.272 120.400 0.431 0.000 2.162 528 D HA -0.089 4.551 4.640 0.000 0.000 0.203 528 D C -0.282 176.205 176.300 0.312 0.000 0.967 528 D CA 1.514 55.617 54.000 0.172 0.000 0.840 528 D CB 0.236 41.012 40.800 -0.040 0.000 0.972 528 D HN 0.436 nan 8.370 nan 0.000 0.482 529 Y N -2.984 117.462 120.300 0.243 0.000 2.625 529 Y HA 0.552 5.102 4.550 0.000 0.000 0.338 529 Y C -1.817 174.188 175.900 0.175 0.000 1.123 529 Y CA -1.885 56.197 58.100 -0.030 0.000 1.046 529 Y CB 0.693 39.111 38.460 -0.069 0.000 1.299 529 Y HN -0.204 nan 8.280 nan 0.000 0.464 530 F N 3.056 122.998 119.950 -0.013 0.000 2.536 530 F HA 0.655 5.182 4.527 0.000 0.000 0.322 530 F C -1.852 174.147 175.800 0.331 0.000 1.144 530 F CA -1.136 57.009 58.000 0.242 0.000 0.924 530 F CB 1.575 40.803 39.000 0.380 0.000 1.181 530 F HN 0.780 nan 8.300 nan 0.000 0.438 531 L N 7.355 128.474 121.223 -0.173 0.000 2.322 531 L HA 0.531 4.871 4.340 0.000 0.000 0.281 531 L C -2.013 174.751 176.870 -0.177 0.000 1.014 531 L CA -0.888 53.925 54.840 -0.046 0.000 0.815 531 L CB 1.390 43.492 42.059 0.072 0.000 1.247 531 L HN 0.737 nan 8.230 nan 0.000 0.421 532 Y N 5.605 125.866 120.300 -0.066 0.000 2.346 532 Y HA 0.478 5.029 4.550 0.000 0.000 0.332 532 Y C -1.211 174.714 175.900 0.042 0.000 0.985 532 Y CA -0.753 57.331 58.100 -0.027 0.000 1.112 532 Y CB 1.180 39.644 38.460 0.006 0.000 1.170 532 Y HN 0.521 nan 8.280 nan 0.000 0.447 533 K N 6.012 126.107 120.400 -0.510 0.000 2.565 533 K HA 0.212 4.532 4.320 0.000 0.000 0.249 533 K C -1.182 175.097 176.600 -0.535 0.000 0.958 533 K CA -0.603 55.442 56.287 -0.403 0.000 0.806 533 K CB 1.557 33.911 32.500 -0.243 0.000 1.194 533 K HN 0.882 nan 8.250 nan 0.000 0.434 534 E N 5.054 124.928 120.200 -0.544 0.000 2.392 534 E HA 0.121 4.471 4.350 0.000 0.000 0.264 534 E C -0.744 175.614 176.600 -0.404 0.000 1.024 534 E CA -0.079 55.991 56.400 -0.551 0.000 0.903 534 E CB 0.637 29.844 29.700 -0.823 0.000 0.963 534 E HN 0.452 nan 8.360 nan 0.000 0.432 535 L N 0.000 120.953 121.223 -0.449 0.000 2.949 535 L HA 0.000 4.340 4.340 0.000 0.000 0.249 535 L CA 0.000 54.543 54.840 -0.495 0.000 0.813 535 L CB 0.000 41.505 42.059 -0.924 0.000 0.961 535 L HN 0.000 nan 8.230 nan 0.000 0.502