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 1k7x_1_B DATA FIRST_RESID 2 DATA SEQUENCE TTLLNPYFGE FGGMYVPQIL MPALNQLEEA FVSAQKDPEF QAQFADLLKN DATA SEQUENCE YAGRPTALTK CQNITAGTRT TLYLKREDLL HGGAHKTNQV LGQALLAKRM DATA SEQUENCE GKSEIIAETG AGQHGVASAL ASALLGLKCR IYMGAKDVER QSPNVFRMRL DATA SEQUENCE MGAEVIPVHS GSATLKDACN EALRDWPGSY ETAHYMLGTA AGPHPYPTIV DATA SEQUENCE REFQRMIGEE TKAQILDKEG RLPDAVIACV GGGSNAIGMF ADFINDTSVG DATA SEQUENCE LIGVEPGGHG IETGEHGAPL KHGRVGIYFG MKAPMMQTAD GQIEESYSIS DATA SEQUENCE AGLDFPSVGP QHAYLNSIGR ADYVSITDDE ALEAFKTLCR HEGIIPALES DATA SEQUENCE SHALAHALKM MREQPEKEQL LVVNLSGRGD KDIFTVHDIL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.675 174.700 -0.042 0.000 1.109 2 T CA 0.000 62.074 62.100 -0.043 0.000 1.349 2 T CB 0.000 68.847 68.868 -0.035 0.000 0.612 3 T N 0.146 114.672 114.554 -0.047 0.000 2.896 3 T HA 0.703 5.053 4.350 -0.000 0.000 0.297 3 T C 0.912 175.597 174.700 -0.024 0.000 1.108 3 T CA -1.000 61.082 62.100 -0.031 0.000 1.004 3 T CB 1.244 70.082 68.868 -0.050 0.000 1.159 3 T HN 0.349 nan 8.240 nan 0.000 0.499 4 L N -0.021 121.206 121.223 0.008 0.000 2.270 4 L HA 0.353 4.693 4.340 -0.000 0.000 0.210 4 L C 0.321 177.191 176.870 0.000 0.000 1.104 4 L CA 0.637 55.478 54.840 0.002 0.000 0.804 4 L CB -0.202 41.868 42.059 0.019 0.000 0.937 4 L HN 0.427 nan 8.230 nan 0.000 0.450 5 L N -1.292 119.944 121.223 0.021 0.000 2.333 5 L HA 0.367 4.707 4.340 -0.000 0.000 0.263 5 L C -0.357 176.406 176.870 -0.179 0.000 1.014 5 L CA -0.939 53.894 54.840 -0.012 0.000 0.820 5 L CB 1.450 43.586 42.059 0.128 0.000 1.352 5 L HN -0.125 nan 8.230 nan 0.000 0.421 6 N N 1.803 120.370 118.700 -0.221 0.000 2.470 6 N HA 0.161 4.901 4.740 -0.000 0.000 0.268 6 N C -2.012 173.134 175.510 -0.607 0.000 1.136 6 N CA -1.457 51.386 53.050 -0.344 0.000 0.961 6 N CB 1.365 39.687 38.487 -0.275 0.000 1.067 6 N HN 0.275 nan 8.380 nan 0.000 0.468 7 P HA 0.086 nan 4.420 nan 0.000 0.245 7 P C -0.813 176.088 177.300 -0.664 0.000 1.212 7 P CA 0.760 63.302 63.100 -0.929 0.000 0.774 7 P CB 0.045 31.308 31.700 -0.728 0.000 0.999 8 Y N -1.169 118.846 120.300 -0.475 0.000 2.524 8 Y HA 0.506 5.056 4.550 -0.000 0.000 0.344 8 Y C -0.117 175.415 175.900 -0.613 0.000 1.012 8 Y CA -0.954 56.951 58.100 -0.324 0.000 1.068 8 Y CB 1.406 39.736 38.460 -0.216 0.000 1.249 8 Y HN -0.318 nan 8.280 nan 0.000 0.468 9 F N 1.931 121.910 119.950 0.049 0.000 2.434 9 F HA 0.500 5.027 4.527 -0.000 0.000 0.367 9 F C 0.883 176.515 175.800 -0.280 0.000 1.093 9 F CA -0.318 57.507 58.000 -0.293 0.000 1.085 9 F CB 0.845 39.786 39.000 -0.098 0.000 1.322 9 F HN 0.774 nan 8.300 nan 0.000 0.452 10 G N 2.342 110.924 108.800 -0.364 0.000 2.622 10 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.307 10 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.307 10 G C 1.162 176.052 174.900 -0.017 0.000 1.226 10 G CA 0.710 45.810 45.100 -0.000 0.000 0.997 10 G HN 0.631 nan 8.290 nan 0.000 0.551 11 E N 0.213 120.311 120.200 -0.170 0.000 2.481 11 E HA 0.171 4.520 4.350 -0.000 0.000 0.195 11 E C 0.131 176.665 176.600 -0.110 0.000 1.047 11 E CA -0.101 56.104 56.400 -0.326 0.000 0.867 11 E CB -0.013 29.344 29.700 -0.571 0.000 0.858 11 E HN 0.321 nan 8.360 nan 0.000 0.513 12 F N -0.127 120.065 119.950 0.402 0.000 2.397 12 F HA 0.564 5.091 4.527 -0.000 0.000 0.331 12 F C 1.231 177.276 175.800 0.408 0.000 1.090 12 F CA 0.434 58.668 58.000 0.390 0.000 1.065 12 F CB 1.819 41.003 39.000 0.305 0.000 1.184 12 F HN 0.069 nan 8.300 nan 0.000 0.499 13 G N 0.348 109.401 108.800 0.423 0.000 2.253 13 G HA2 0.463 4.423 3.960 -0.000 0.000 0.190 13 G HA3 0.463 4.423 3.960 -0.000 0.000 0.190 13 G C -0.156 174.611 174.900 -0.222 0.000 1.274 13 G CA -0.005 45.146 45.100 0.086 0.000 1.275 13 G HN 1.838 nan 8.290 nan 0.000 0.518 14 G N -1.253 107.026 108.800 -0.869 0.000 2.610 14 G HA2 0.338 4.298 3.960 -0.000 0.000 0.304 14 G HA3 0.338 4.298 3.960 -0.000 0.000 0.304 14 G C -0.110 174.582 174.900 -0.346 0.000 1.309 14 G CA 0.413 44.949 45.100 -0.940 0.000 0.906 14 G HN 1.548 nan 8.290 nan 0.000 0.521 15 M N 0.505 119.854 119.600 -0.417 0.000 2.693 15 M HA 0.328 4.807 4.480 -0.000 0.000 0.224 15 M C -1.071 175.087 176.300 -0.237 0.000 1.149 15 M CA -0.053 55.114 55.300 -0.223 0.000 0.622 15 M CB 1.080 33.574 32.600 -0.176 0.000 1.443 15 M HN 0.413 nan 8.290 nan 0.000 0.431 16 Y N 1.422 121.715 120.300 -0.012 0.000 2.736 16 Y HA 0.385 4.935 4.550 -0.000 0.000 0.339 16 Y C 0.394 176.297 175.900 0.006 0.000 1.301 16 Y CA -0.778 57.331 58.100 0.014 0.000 1.676 16 Y CB -0.108 38.377 38.460 0.041 0.000 1.725 16 Y HN 0.270 nan 8.280 nan 0.000 0.466 17 V N -1.488 118.476 119.914 0.083 0.000 3.046 17 V HA 0.747 4.867 4.120 -0.000 0.000 0.316 17 V C -2.475 173.643 176.094 0.040 0.000 1.104 17 V CA -3.272 59.065 62.300 0.060 0.000 1.006 17 V CB 1.383 33.224 31.823 0.029 0.000 1.058 17 V HN 0.099 nan 8.190 nan 0.000 0.440 18 P HA 0.169 nan 4.420 nan 0.000 0.268 18 P C 0.347 177.639 177.300 -0.013 0.000 1.208 18 P CA 0.029 63.141 63.100 0.020 0.000 0.777 18 P CB 0.528 32.241 31.700 0.022 0.000 0.875 19 Q N 1.868 121.659 119.800 -0.014 0.000 2.135 19 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 19 Q C 1.600 177.563 176.000 -0.062 0.000 0.981 19 Q CA 1.447 57.228 55.803 -0.037 0.000 0.856 19 Q CB -0.821 27.903 28.738 -0.022 0.000 0.902 19 Q HN 0.561 nan 8.270 nan 0.000 0.425 20 I N -0.475 120.068 120.570 -0.046 0.000 2.850 20 I HA -0.174 3.995 4.170 -0.000 0.000 0.266 20 I C 0.908 176.930 176.117 -0.158 0.000 1.257 20 I CA 0.708 61.971 61.300 -0.060 0.000 1.465 20 I CB 0.171 38.163 38.000 -0.014 0.000 1.091 20 I HN 0.268 nan 8.210 nan 0.000 0.467 21 L N -0.127 120.991 121.223 -0.175 0.000 2.567 21 L HA -0.006 4.334 4.340 -0.000 0.000 0.225 21 L C 2.221 178.880 176.870 -0.351 0.000 1.119 21 L CA -0.174 54.477 54.840 -0.316 0.000 0.871 21 L CB -0.113 41.841 42.059 -0.176 0.000 1.036 21 L HN 0.229 nan 8.230 nan 0.000 0.459 22 M N 0.117 119.575 119.600 -0.235 0.000 2.117 22 M HA -0.103 4.377 4.480 -0.000 0.000 0.262 22 M C -0.270 175.873 176.300 -0.262 0.000 1.065 22 M CA 1.890 57.071 55.300 -0.198 0.000 1.114 22 M CB -1.978 30.546 32.600 -0.126 0.000 1.361 22 M HN 0.041 nan 8.290 nan 0.000 0.408 23 P HA -0.053 nan 4.420 nan 0.000 0.217 23 P C 1.337 178.334 177.300 -0.504 0.000 1.150 23 P CA 1.798 64.692 63.100 -0.343 0.000 0.832 23 P CB -0.230 31.316 31.700 -0.256 0.000 0.787 24 A N -0.219 122.040 122.820 -0.934 0.000 1.883 24 A HA -0.184 4.135 4.320 -0.000 0.000 0.217 24 A C 2.205 179.563 177.584 -0.378 0.000 1.186 24 A CA 1.603 53.100 52.037 -0.901 0.000 0.624 24 A CB -1.674 16.350 19.000 -1.626 0.000 0.822 24 A HN 0.121 nan 8.150 nan 0.000 0.444 25 L N -0.479 120.571 121.223 -0.289 0.000 2.093 25 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 25 L C 2.216 179.022 176.870 -0.107 0.000 1.085 25 L CA 1.129 55.911 54.840 -0.097 0.000 0.755 25 L CB -0.736 41.287 42.059 -0.059 0.000 0.904 25 L HN 0.377 nan 8.230 nan 0.000 0.435 26 N N 0.060 118.690 118.700 -0.118 0.000 2.188 26 N HA -0.214 4.526 4.740 -0.000 0.000 0.184 26 N C 1.847 177.324 175.510 -0.054 0.000 1.018 26 N CA 1.024 54.030 53.050 -0.073 0.000 0.858 26 N CB -0.184 38.261 38.487 -0.069 0.000 0.989 26 N HN 0.450 nan 8.380 nan 0.000 0.426 27 Q N 0.464 120.227 119.800 -0.060 0.000 2.084 27 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 27 Q C 1.933 177.935 176.000 0.002 0.000 0.978 27 Q CA 1.057 56.852 55.803 -0.014 0.000 0.844 27 Q CB -0.066 28.685 28.738 0.022 0.000 0.898 27 Q HN 0.207 nan 8.270 nan 0.000 0.426 28 L N 1.038 122.262 121.223 0.000 0.000 2.109 28 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 28 L C 2.145 178.978 176.870 -0.061 0.000 1.086 28 L CA 2.008 56.846 54.840 -0.004 0.000 0.760 28 L CB -0.566 41.505 42.059 0.019 0.000 0.910 28 L HN 0.315 nan 8.230 nan 0.000 0.437 29 E N -0.473 119.672 120.200 -0.091 0.000 2.047 29 E HA -0.286 4.063 4.350 -0.000 0.000 0.191 29 E C 2.053 178.671 176.600 0.029 0.000 0.987 29 E CA 1.242 57.604 56.400 -0.063 0.000 0.799 29 E CB -0.104 29.563 29.700 -0.056 0.000 0.752 29 E HN 0.651 nan 8.360 nan 0.000 0.449 30 E N 0.029 120.229 120.200 -0.001 0.000 2.065 30 E HA -0.287 4.063 4.350 -0.000 0.000 0.201 30 E C 1.916 178.498 176.600 -0.029 0.000 1.016 30 E CA 1.587 57.980 56.400 -0.012 0.000 0.818 30 E CB -0.201 29.489 29.700 -0.016 0.000 0.749 30 E HN 0.354 nan 8.360 nan 0.000 0.453 31 A N 0.253 123.062 122.820 -0.017 0.000 1.902 31 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 31 A C 2.032 179.561 177.584 -0.092 0.000 1.181 31 A CA 1.482 53.493 52.037 -0.044 0.000 0.623 31 A CB -0.880 18.107 19.000 -0.022 0.000 0.818 31 A HN 0.512 nan 8.150 nan 0.000 0.443 32 F N 0.886 120.715 119.950 -0.202 0.000 2.102 32 F HA -0.133 4.394 4.527 -0.000 0.000 0.298 32 F C 2.210 177.873 175.800 -0.227 0.000 1.105 32 F CA 1.809 59.655 58.000 -0.257 0.000 1.239 32 F CB -0.520 38.311 39.000 -0.282 0.000 0.991 32 F HN 0.016 nan 8.300 nan 0.000 0.474 33 V N -0.600 119.152 119.914 -0.271 0.000 2.407 33 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 33 V C 2.699 178.595 176.094 -0.330 0.000 1.055 33 V CA 1.965 64.049 62.300 -0.359 0.000 1.049 33 V CB -1.100 30.651 31.823 -0.120 0.000 0.662 33 V HN 0.512 nan 8.190 nan 0.000 0.455 34 S N -0.117 115.437 115.700 -0.244 0.000 2.368 34 S HA -0.177 4.293 4.470 -0.000 0.000 0.225 34 S C 2.150 176.584 174.600 -0.277 0.000 1.030 34 S CA 1.587 59.662 58.200 -0.208 0.000 0.999 34 S CB -0.318 62.800 63.200 -0.137 0.000 0.844 34 S HN 0.619 nan 8.310 nan 0.000 0.459 35 A N 0.947 123.511 122.820 -0.428 0.000 1.933 35 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 35 A C 2.172 179.422 177.584 -0.557 0.000 1.175 35 A CA 1.309 52.937 52.037 -0.682 0.000 0.628 35 A CB -0.562 17.652 19.000 -1.309 0.000 0.814 35 A HN 0.568 nan 8.150 nan 0.000 0.444 36 Q N -0.253 119.202 119.800 -0.575 0.000 2.297 36 Q HA -0.041 4.299 4.340 -0.000 0.000 0.204 36 Q C 1.265 177.150 176.000 -0.192 0.000 0.962 36 Q CA 1.111 56.677 55.803 -0.394 0.000 0.879 36 Q CB -0.122 28.252 28.738 -0.607 0.000 0.947 36 Q HN 0.705 nan 8.270 nan 0.000 0.462 37 K N 0.624 120.908 120.400 -0.193 0.000 2.444 37 K HA -0.002 4.318 4.320 -0.000 0.000 0.193 37 K C 0.055 176.628 176.600 -0.047 0.000 1.024 37 K CA -0.025 56.204 56.287 -0.097 0.000 1.077 37 K CB 0.410 32.853 32.500 -0.095 0.000 0.833 37 K HN -0.048 nan 8.250 nan 0.000 0.517 38 D N 1.450 121.832 120.400 -0.030 0.000 2.443 38 D HA 0.069 4.708 4.640 -0.000 0.000 0.221 38 D C -1.660 174.698 176.300 0.097 0.000 1.097 38 D CA -2.537 51.481 54.000 0.029 0.000 0.865 38 D CB 1.358 42.175 40.800 0.029 0.000 1.034 38 D HN -0.072 nan 8.370 nan 0.000 0.511 39 P HA -0.103 nan 4.420 nan 0.000 0.226 39 P C 0.630 177.986 177.300 0.093 0.000 1.153 39 P CA 0.732 63.882 63.100 0.082 0.000 0.777 39 P CB 0.637 32.365 31.700 0.046 0.000 0.794 40 E N -0.809 119.446 120.200 0.093 0.000 2.107 40 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 40 E C 1.853 178.518 176.600 0.108 0.000 0.982 40 E CA 0.640 57.086 56.400 0.076 0.000 0.809 40 E CB -0.615 29.122 29.700 0.062 0.000 0.756 40 E HN 0.182 nan 8.360 nan 0.000 0.459 41 F N 2.177 122.138 119.950 0.017 0.000 2.102 41 F HA -0.228 4.298 4.527 -0.000 0.000 0.298 41 F C 2.283 178.130 175.800 0.078 0.000 1.105 41 F CA 1.415 59.432 58.000 0.027 0.000 1.239 41 F CB 0.054 39.060 39.000 0.009 0.000 0.991 41 F HN -0.103 nan 8.300 nan 0.000 0.474 42 Q N 0.508 120.529 119.800 0.369 0.000 2.096 42 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 42 Q C 2.498 178.564 176.000 0.110 0.000 0.982 42 Q CA 1.653 57.627 55.803 0.285 0.000 0.850 42 Q CB -1.230 27.641 28.738 0.221 0.000 0.901 42 Q HN 0.546 nan 8.270 nan 0.000 0.422 43 A N 0.575 123.430 122.820 0.058 0.000 1.930 43 A HA -0.212 4.107 4.320 -0.000 0.000 0.217 43 A C 2.113 179.679 177.584 -0.029 0.000 1.175 43 A CA 1.533 53.575 52.037 0.007 0.000 0.627 43 A CB -0.489 18.517 19.000 0.010 0.000 0.815 43 A HN 0.409 nan 8.150 nan 0.000 0.443 44 Q N -1.656 118.102 119.800 -0.070 0.000 2.020 44 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 44 Q C 1.903 177.849 176.000 -0.091 0.000 0.982 44 Q CA 1.837 57.565 55.803 -0.124 0.000 0.838 44 Q CB -0.290 28.315 28.738 -0.222 0.000 0.899 44 Q HN 0.605 nan 8.270 nan 0.000 0.423 45 F N 0.700 120.412 119.950 -0.397 0.000 2.102 45 F HA -0.118 4.409 4.527 -0.000 0.000 0.298 45 F C 2.067 177.760 175.800 -0.179 0.000 1.105 45 F CA 1.395 59.180 58.000 -0.358 0.000 1.239 45 F CB -1.032 37.710 39.000 -0.431 0.000 0.991 45 F HN 0.152 nan 8.300 nan 0.000 0.474 46 A N -0.327 122.420 122.820 -0.122 0.000 1.940 46 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 46 A C 1.954 179.465 177.584 -0.122 0.000 1.176 46 A CA 2.076 53.996 52.037 -0.196 0.000 0.631 46 A CB -1.242 17.693 19.000 -0.108 0.000 0.814 46 A HN 0.504 nan 8.150 nan 0.000 0.446 47 D N -0.575 119.786 120.400 -0.064 0.000 2.149 47 D HA -0.063 4.577 4.640 -0.000 0.000 0.201 47 D C 1.809 178.100 176.300 -0.016 0.000 0.972 47 D CA 0.869 54.844 54.000 -0.040 0.000 0.835 47 D CB -0.137 40.643 40.800 -0.034 0.000 0.966 47 D HN 0.418 nan 8.370 nan 0.000 0.476 48 L N -0.012 121.211 121.223 -0.000 0.000 2.093 48 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 48 L C 2.414 179.341 176.870 0.095 0.000 1.085 48 L CA 0.505 55.387 54.840 0.069 0.000 0.755 48 L CB -0.303 41.799 42.059 0.072 0.000 0.904 48 L HN 0.218 nan 8.230 nan 0.000 0.435 49 L N -0.162 121.047 121.223 -0.023 0.000 2.093 49 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 49 L C 2.691 179.541 176.870 -0.034 0.000 1.085 49 L CA 1.245 56.052 54.840 -0.054 0.000 0.755 49 L CB -0.341 41.567 42.059 -0.251 0.000 0.904 49 L HN 0.261 nan 8.230 nan 0.000 0.435 50 K N 0.020 120.392 120.400 -0.047 0.000 2.005 50 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 50 K C 1.648 178.239 176.600 -0.016 0.000 1.044 50 K CA 1.320 57.585 56.287 -0.037 0.000 0.942 50 K CB 0.116 32.592 32.500 -0.040 0.000 0.727 50 K HN 0.237 nan 8.250 nan 0.000 0.439 51 N N -0.655 118.050 118.700 0.008 0.000 2.373 51 N HA -0.062 4.678 4.740 -0.000 0.000 0.181 51 N C 1.067 176.601 175.510 0.039 0.000 1.082 51 N CA 0.490 53.547 53.050 0.011 0.000 0.885 51 N CB 0.314 38.810 38.487 0.014 0.000 0.977 51 N HN 0.277 nan 8.380 nan 0.000 0.462 52 Y N 0.862 121.121 120.300 -0.069 0.000 2.351 52 Y HA 0.353 4.903 4.550 -0.000 0.000 0.291 52 Y C 2.115 177.958 175.900 -0.095 0.000 1.153 52 Y CA 0.844 58.886 58.100 -0.096 0.000 1.193 52 Y CB -0.242 38.178 38.460 -0.065 0.000 1.187 52 Y HN -0.050 nan 8.280 nan 0.000 0.524 53 A N -0.397 122.396 122.820 -0.045 0.000 2.132 53 A HA 0.343 4.662 4.320 -0.000 0.000 0.213 53 A C 1.653 179.214 177.584 -0.039 0.000 1.154 53 A CA 0.921 52.928 52.037 -0.051 0.000 0.753 53 A CB -1.073 17.975 19.000 0.080 0.000 0.826 53 A HN 1.042 nan 8.150 nan 0.000 0.469 54 G N -0.443 108.327 108.800 -0.050 0.000 2.165 54 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.226 54 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.226 54 G C 0.064 174.951 174.900 -0.023 0.000 1.035 54 G CA -0.020 45.054 45.100 -0.043 0.000 0.744 54 G HN 0.557 nan 8.290 nan 0.000 0.501 55 R N 0.626 121.112 120.500 -0.025 0.000 2.641 55 R HA 0.398 4.738 4.340 -0.000 0.000 0.269 55 R C -1.780 174.503 176.300 -0.030 0.000 1.074 55 R CA -0.880 55.203 56.100 -0.028 0.000 1.133 55 R CB 0.629 30.898 30.300 -0.052 0.000 1.029 55 R HN 0.287 nan 8.270 nan 0.000 0.488 56 P HA 0.082 nan 4.420 nan 0.000 0.278 56 P C -0.561 176.738 177.300 -0.002 0.000 1.258 56 P CA -0.384 62.707 63.100 -0.014 0.000 0.811 56 P CB 0.856 32.549 31.700 -0.013 0.000 1.063 57 T N -2.330 112.230 114.554 0.010 0.000 2.928 57 T HA 0.634 4.984 4.350 -0.000 0.000 0.284 57 T C 0.471 175.186 174.700 0.026 0.000 1.008 57 T CA -0.790 61.321 62.100 0.019 0.000 1.057 57 T CB 0.815 69.701 68.868 0.030 0.000 1.018 57 T HN 0.559 nan 8.240 nan 0.000 0.493 58 A N 1.380 124.217 122.820 0.029 0.000 2.429 58 A HA 0.531 4.851 4.320 -0.000 0.000 0.242 58 A C -0.160 177.460 177.584 0.060 0.000 1.088 58 A CA -0.558 51.502 52.037 0.039 0.000 0.784 58 A CB -0.221 18.803 19.000 0.039 0.000 1.038 58 A HN 0.946 nan 8.150 nan 0.000 0.501 59 L N 0.693 121.963 121.223 0.079 0.000 2.342 59 L HA 0.517 4.856 4.340 -0.000 0.000 0.276 59 L C -0.254 176.754 176.870 0.229 0.000 0.997 59 L CA 0.287 55.205 54.840 0.130 0.000 0.838 59 L CB 1.726 43.822 42.059 0.062 0.000 1.224 59 L HN 0.620 nan 8.230 nan 0.000 0.416 60 T N 4.428 119.103 114.554 0.202 0.000 2.795 60 T HA 0.306 4.656 4.350 -0.000 0.000 0.282 60 T C -0.349 174.386 174.700 0.058 0.000 0.980 60 T CA -0.446 61.730 62.100 0.128 0.000 1.012 60 T CB 1.024 69.923 68.868 0.053 0.000 0.936 60 T HN 0.494 nan 8.240 nan 0.000 0.457 61 K N 1.926 122.260 120.400 -0.111 0.000 2.276 61 K HA 0.275 4.594 4.320 -0.000 0.000 0.283 61 K C -0.749 175.676 176.600 -0.292 0.000 1.044 61 K CA -0.509 55.426 56.287 -0.587 0.000 0.944 61 K CB 0.324 32.450 32.500 -0.623 0.000 1.012 61 K HN 0.588 nan 8.250 nan 0.000 0.472 62 C N 5.371 124.508 119.300 -0.272 0.000 2.136 62 C HA 0.191 4.651 4.460 -0.000 0.000 0.381 62 C C 1.254 176.158 174.990 -0.144 0.000 1.039 62 C CA -0.555 58.377 59.018 -0.144 0.000 1.491 62 C CB -0.738 26.942 27.740 -0.100 0.000 1.663 62 C HN 0.939 nan 8.230 nan 0.000 0.470 63 Q N 0.827 120.551 119.800 -0.127 0.000 2.230 63 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 63 Q C 1.707 177.664 176.000 -0.071 0.000 0.963 63 Q CA 1.089 56.831 55.803 -0.101 0.000 0.866 63 Q CB 0.145 28.834 28.738 -0.082 0.000 0.931 63 Q HN 0.691 nan 8.270 nan 0.000 0.452 64 N N 0.959 119.630 118.700 -0.048 0.000 2.166 64 N HA -0.110 4.629 4.740 -0.000 0.000 0.186 64 N C 1.730 177.186 175.510 -0.089 0.000 1.019 64 N CA 0.954 53.986 53.050 -0.030 0.000 0.856 64 N CB -0.107 38.408 38.487 0.046 0.000 0.993 64 N HN 0.258 nan 8.380 nan 0.000 0.426 65 I N 1.058 121.573 120.570 -0.091 0.000 2.264 65 I HA -0.226 3.943 4.170 -0.000 0.000 0.248 65 I C 1.800 177.832 176.117 -0.141 0.000 1.111 65 I CA 1.465 62.680 61.300 -0.143 0.000 1.382 65 I CB -0.365 37.582 38.000 -0.088 0.000 1.060 65 I HN 0.280 nan 8.210 nan 0.000 0.418 66 T N -1.718 112.771 114.554 -0.109 0.000 3.086 66 T HA 0.370 4.719 4.350 -0.000 0.000 0.250 66 T C 0.756 175.407 174.700 -0.082 0.000 1.074 66 T CA -0.080 61.964 62.100 -0.093 0.000 0.988 66 T CB -0.172 68.645 68.868 -0.086 0.000 0.988 66 T HN 0.192 nan 8.240 nan 0.000 0.530 67 A N 0.515 123.284 122.820 -0.086 0.000 2.498 67 A HA 0.552 4.872 4.320 -0.000 0.000 0.239 67 A C 1.697 179.246 177.584 -0.059 0.000 1.068 67 A CA 0.229 52.227 52.037 -0.065 0.000 0.766 67 A CB -0.941 18.025 19.000 -0.058 0.000 1.003 67 A HN 1.452 nan 8.150 nan 0.000 0.497 68 G N 0.559 109.332 108.800 -0.045 0.000 2.176 68 G HA2 -0.096 3.863 3.960 -0.000 0.000 0.253 68 G HA3 -0.096 3.863 3.960 -0.000 0.000 0.253 68 G C 0.517 175.393 174.900 -0.039 0.000 0.979 68 G CA 1.249 46.325 45.100 -0.039 0.000 0.641 68 G HN 2.428 nan 8.290 nan 0.000 0.530 69 T N -3.590 110.939 114.554 -0.043 0.000 2.864 69 T HA 0.715 5.065 4.350 -0.000 0.000 0.289 69 T C 0.445 175.124 174.700 -0.036 0.000 1.082 69 T CA -0.625 61.451 62.100 -0.040 0.000 1.009 69 T CB 1.693 70.531 68.868 -0.049 0.000 1.234 69 T HN 0.111 nan 8.240 nan 0.000 0.526 70 R N 0.358 120.840 120.500 -0.031 0.000 2.586 70 R HA 0.258 4.598 4.340 -0.000 0.000 0.306 70 R C -0.192 176.093 176.300 -0.025 0.000 1.079 70 R CA -0.275 55.810 56.100 -0.025 0.000 1.083 70 R CB 0.186 30.474 30.300 -0.019 0.000 1.306 70 R HN 0.567 nan 8.270 nan 0.000 0.567 71 T N 0.989 115.522 114.554 -0.034 0.000 2.806 71 T HA 0.194 4.544 4.350 -0.000 0.000 0.290 71 T C 0.126 174.803 174.700 -0.038 0.000 0.966 71 T CA 0.351 62.430 62.100 -0.034 0.000 1.060 71 T CB 1.743 70.583 68.868 -0.046 0.000 0.927 71 T HN -0.057 nan 8.240 nan 0.000 0.485 72 T N 4.056 118.597 114.554 -0.021 0.000 2.797 72 T HA 0.588 4.938 4.350 -0.000 0.000 0.279 72 T C -0.993 173.688 174.700 -0.032 0.000 0.991 72 T CA -0.566 61.508 62.100 -0.044 0.000 0.979 72 T CB 0.957 69.831 68.868 0.010 0.000 0.943 72 T HN 0.320 nan 8.240 nan 0.000 0.444 73 L N 4.173 125.324 121.223 -0.120 0.000 2.385 73 L HA 0.674 5.014 4.340 -0.000 0.000 0.273 73 L C -1.829 174.939 176.870 -0.168 0.000 0.990 73 L CA -0.682 54.125 54.840 -0.056 0.000 0.821 73 L CB 1.079 43.099 42.059 -0.065 0.000 1.279 73 L HN 0.601 nan 8.230 nan 0.000 0.412 74 Y N 4.227 124.522 120.300 -0.008 0.000 2.528 74 Y HA 0.705 5.255 4.550 -0.000 0.000 0.335 74 Y C -0.562 175.340 175.900 0.004 0.000 1.093 74 Y CA -0.603 57.497 58.100 0.001 0.000 1.134 74 Y CB 2.051 40.515 38.460 0.007 0.000 1.253 74 Y HN 0.420 nan 8.280 nan 0.000 0.478 75 L N 2.806 124.126 121.223 0.162 0.000 2.356 75 L HA 0.456 4.796 4.340 -0.000 0.000 0.277 75 L C -0.781 176.154 176.870 0.109 0.000 0.996 75 L CA -1.215 53.686 54.840 0.102 0.000 0.822 75 L CB 1.772 43.861 42.059 0.049 0.000 1.256 75 L HN 0.383 nan 8.230 nan 0.000 0.413 76 K N 3.395 123.850 120.400 0.092 0.000 2.234 76 K HA 0.264 4.583 4.320 -0.000 0.000 0.282 76 K C -0.192 176.445 176.600 0.062 0.000 1.039 76 K CA -0.193 56.142 56.287 0.081 0.000 0.928 76 K CB 0.732 33.280 32.500 0.081 0.000 1.039 76 K HN 0.297 nan 8.250 nan 0.000 0.470 77 R N 4.301 124.835 120.500 0.057 0.000 4.231 77 R HA 0.093 4.433 4.340 -0.000 0.000 0.250 77 R C -0.208 176.119 176.300 0.045 0.000 1.600 77 R CA -0.258 55.870 56.100 0.045 0.000 1.523 77 R CB 0.378 30.701 30.300 0.039 0.000 1.422 77 R HN 0.658 nan 8.270 nan 0.000 0.759 78 E N 1.074 121.307 120.200 0.056 0.000 2.409 78 E HA -0.135 4.215 4.350 -0.000 0.000 0.198 78 E C 1.077 177.716 176.600 0.065 0.000 1.024 78 E CA 0.719 57.163 56.400 0.074 0.000 0.861 78 E CB 0.193 29.957 29.700 0.107 0.000 0.788 78 E HN 0.486 nan 8.360 nan 0.000 0.521 79 D N 0.144 120.574 120.400 0.049 0.000 2.309 79 D HA -0.180 4.460 4.640 -0.000 0.000 0.212 79 D C 1.602 177.913 176.300 0.019 0.000 0.968 79 D CA 0.509 54.529 54.000 0.033 0.000 0.882 79 D CB -0.343 40.468 40.800 0.019 0.000 0.918 79 D HN 0.272 nan 8.370 nan 0.000 0.503 80 L N -0.261 120.975 121.223 0.020 0.000 2.591 80 L HA 0.165 4.505 4.340 -0.000 0.000 0.228 80 L C 0.894 177.774 176.870 0.015 0.000 1.133 80 L CA -0.518 54.330 54.840 0.013 0.000 0.880 80 L CB -0.148 41.918 42.059 0.011 0.000 1.033 80 L HN -0.003 nan 8.230 nan 0.000 0.450 81 L N 0.062 121.299 121.223 0.023 0.000 2.461 81 L HA 0.069 4.409 4.340 -0.000 0.000 0.272 81 L C 0.645 177.524 176.870 0.015 0.000 1.197 81 L CA -0.025 54.831 54.840 0.026 0.000 0.836 81 L CB 0.195 42.277 42.059 0.037 0.000 1.105 81 L HN 0.060 nan 8.230 nan 0.000 0.477 82 H N 3.597 122.613 119.070 -0.090 0.000 3.214 82 H HA 0.258 4.814 4.556 -0.000 0.000 0.291 82 H C 1.138 176.417 175.328 -0.082 0.000 0.926 82 H CA 1.034 57.003 56.048 -0.132 0.000 1.409 82 H CB 0.131 29.722 29.762 -0.286 0.000 1.406 82 H HN 0.777 nan 8.280 nan 0.000 0.561 83 G N 2.570 111.045 108.800 -0.542 0.000 2.217 83 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.246 83 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.246 83 G C 1.251 176.045 174.900 -0.177 0.000 0.990 83 G CA 0.722 45.585 45.100 -0.395 0.000 0.627 83 G HN 1.851 nan 8.290 nan 0.000 0.522 84 G N -1.204 107.532 108.800 -0.107 0.000 2.175 84 G HA2 0.385 4.345 3.960 -0.000 0.000 0.244 84 G HA3 0.385 4.345 3.960 -0.000 0.000 0.244 84 G C 0.589 175.482 174.900 -0.011 0.000 0.982 84 G CA 1.098 46.172 45.100 -0.043 0.000 0.641 84 G HN 2.564 nan 8.290 nan 0.000 0.527 85 A N -1.008 121.801 122.820 -0.018 0.000 2.599 85 A HA 0.722 5.042 4.320 -0.000 0.000 0.290 85 A C 0.727 178.323 177.584 0.021 0.000 1.101 85 A CA 0.521 52.581 52.037 0.038 0.000 0.674 85 A CB 0.060 19.060 19.000 0.000 0.000 1.277 85 A HN 1.122 nan 8.150 nan 0.000 0.419 86 H N 0.168 119.253 119.070 0.024 0.000 2.546 86 H HA 0.058 4.613 4.556 -0.000 0.000 0.277 86 H C 0.831 176.197 175.328 0.063 0.000 1.004 86 H CA 1.399 57.471 56.048 0.040 0.000 1.231 86 H CB -0.117 29.667 29.762 0.037 0.000 1.382 86 H HN 0.674 nan 8.280 nan 0.000 0.580 87 K N 0.488 120.500 120.400 -0.647 0.000 2.280 87 K HA -0.063 4.257 4.320 -0.000 0.000 0.202 87 K C 1.835 178.391 176.600 -0.072 0.000 1.047 87 K CA 1.371 57.416 56.287 -0.403 0.000 0.942 87 K CB 0.075 32.419 32.500 -0.261 0.000 0.739 87 K HN 0.244 nan 8.250 nan 0.000 0.457 88 T N 1.467 115.987 114.554 -0.056 0.000 2.881 88 T HA -0.076 4.274 4.350 -0.000 0.000 0.270 88 T C 1.461 176.236 174.700 0.124 0.000 1.068 88 T CA 0.965 63.087 62.100 0.037 0.000 1.131 88 T CB -0.142 68.740 68.868 0.023 0.000 0.871 88 T HN 0.245 nan 8.240 nan 0.000 0.479 89 N N 1.826 120.609 118.700 0.139 0.000 2.120 89 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 89 N C 2.076 177.778 175.510 0.321 0.000 1.024 89 N CA 1.464 54.645 53.050 0.218 0.000 0.852 89 N CB -0.315 38.298 38.487 0.209 0.000 1.003 89 N HN 0.652 nan 8.380 nan 0.000 0.424 90 Q N 0.702 120.668 119.800 0.276 0.000 2.354 90 Q HA 0.036 4.375 4.340 -0.000 0.000 0.203 90 Q C 1.868 177.999 176.000 0.219 0.000 0.933 90 Q CA 0.682 56.688 55.803 0.339 0.000 0.901 90 Q CB -0.391 28.557 28.738 0.349 0.000 1.007 90 Q HN 0.225 nan 8.270 nan 0.000 0.495 91 V N -1.291 118.720 119.914 0.162 0.000 2.515 91 V HA -0.120 4.000 4.120 -0.000 0.000 0.250 91 V C 2.091 178.206 176.094 0.036 0.000 1.058 91 V CA 1.223 63.586 62.300 0.105 0.000 1.064 91 V CB -0.763 31.086 31.823 0.042 0.000 0.675 91 V HN 0.352 nan 8.190 nan 0.000 0.461 92 L N 1.306 122.563 121.223 0.057 0.000 2.027 92 L HA 0.066 4.406 4.340 -0.000 0.000 0.206 92 L C 2.905 179.580 176.870 -0.324 0.000 1.074 92 L CA 1.727 56.567 54.840 0.001 0.000 0.745 92 L CB -1.252 40.933 42.059 0.209 0.000 0.898 92 L HN 0.473 nan 8.230 nan 0.000 0.433 93 G N -1.035 107.332 108.800 -0.722 0.000 2.440 93 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 93 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 93 G C 1.522 176.056 174.900 -0.611 0.000 1.154 93 G CA 0.339 44.419 45.100 -1.700 0.000 0.767 93 G HN 0.364 nan 8.290 nan 0.000 0.552 94 Q N -0.103 119.655 119.800 -0.071 0.000 2.230 94 Q HA 0.105 4.445 4.340 -0.000 0.000 0.202 94 Q C 2.986 179.023 176.000 0.061 0.000 0.963 94 Q CA 0.794 56.717 55.803 0.199 0.000 0.866 94 Q CB -0.108 28.832 28.738 0.336 0.000 0.931 94 Q HN 0.495 nan 8.270 nan 0.000 0.452 95 A N 0.819 123.641 122.820 0.003 0.000 1.898 95 A HA -0.126 4.193 4.320 -0.000 0.000 0.216 95 A C 2.009 179.568 177.584 -0.043 0.000 1.181 95 A CA 0.908 52.943 52.037 -0.004 0.000 0.620 95 A CB -0.509 18.472 19.000 -0.033 0.000 0.819 95 A HN 0.271 nan 8.150 nan 0.000 0.442 96 L N -0.805 120.346 121.223 -0.120 0.000 2.109 96 L HA -0.086 4.253 4.340 -0.000 0.000 0.207 96 L C 2.505 179.452 176.870 0.128 0.000 1.086 96 L CA 0.685 55.458 54.840 -0.112 0.000 0.760 96 L CB -0.344 41.462 42.059 -0.422 0.000 0.910 96 L HN 0.372 nan 8.230 nan 0.000 0.437 97 L N -0.647 120.686 121.223 0.183 0.000 2.093 97 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 97 L C 2.775 179.634 176.870 -0.019 0.000 1.085 97 L CA 1.044 55.974 54.840 0.151 0.000 0.755 97 L CB -0.438 41.647 42.059 0.044 0.000 0.904 97 L HN 0.246 nan 8.230 nan 0.000 0.435 98 A N -0.011 122.760 122.820 -0.082 0.000 1.897 98 A HA -0.198 4.122 4.320 -0.000 0.000 0.215 98 A C 2.246 179.850 177.584 0.034 0.000 1.181 98 A CA 1.380 53.381 52.037 -0.060 0.000 0.620 98 A CB -0.263 18.768 19.000 0.051 0.000 0.821 98 A HN 0.280 nan 8.150 nan 0.000 0.443 99 K N -0.666 119.755 120.400 0.035 0.000 2.103 99 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 99 K C 2.292 178.923 176.600 0.052 0.000 1.048 99 K CA 1.484 57.794 56.287 0.038 0.000 0.930 99 K CB -0.174 32.335 32.500 0.015 0.000 0.716 99 K HN 0.436 nan 8.250 nan 0.000 0.444 100 R N 0.640 121.187 120.500 0.078 0.000 2.127 100 R HA -0.045 4.295 4.340 -0.000 0.000 0.238 100 R C 1.746 178.076 176.300 0.050 0.000 1.134 100 R CA 1.379 57.528 56.100 0.082 0.000 0.975 100 R CB 0.011 30.380 30.300 0.114 0.000 0.865 100 R HN 0.150 nan 8.270 nan 0.000 0.447 101 M N -0.861 118.767 119.600 0.047 0.000 2.494 101 M HA 0.160 4.640 4.480 -0.000 0.000 0.232 101 M C 0.592 176.929 176.300 0.062 0.000 1.137 101 M CA 0.609 55.941 55.300 0.053 0.000 1.012 101 M CB 1.327 33.971 32.600 0.072 0.000 1.567 101 M HN 0.472 nan 8.290 nan 0.000 0.486 102 G N 1.333 110.166 108.800 0.054 0.000 2.143 102 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.248 102 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.248 102 G C -0.068 174.870 174.900 0.063 0.000 0.991 102 G CA 0.027 45.157 45.100 0.051 0.000 0.689 102 G HN 0.399 nan 8.290 nan 0.000 0.522 103 K N 0.153 120.604 120.400 0.085 0.000 2.118 103 K HA 0.564 4.884 4.320 -0.000 0.000 0.264 103 K C 1.204 177.857 176.600 0.087 0.000 1.000 103 K CA 0.161 56.514 56.287 0.111 0.000 0.929 103 K CB 1.480 34.087 32.500 0.177 0.000 1.021 103 K HN 0.447 nan 8.250 nan 0.000 0.463 104 S N -0.225 115.526 115.700 0.085 0.000 2.603 104 S HA 0.142 4.612 4.470 -0.000 0.000 0.232 104 S C -0.020 174.620 174.600 0.067 0.000 1.016 104 S CA -0.460 57.776 58.200 0.061 0.000 0.976 104 S CB 0.340 63.566 63.200 0.044 0.000 0.921 104 S HN 0.588 nan 8.310 nan 0.000 0.516 105 E N 0.796 121.056 120.200 0.099 0.000 2.343 105 E HA 0.575 4.925 4.350 -0.000 0.000 0.270 105 E C -1.441 175.232 176.600 0.123 0.000 0.895 105 E CA -0.923 55.534 56.400 0.095 0.000 0.767 105 E CB 1.786 31.547 29.700 0.101 0.000 1.248 105 E HN 0.117 nan 8.360 nan 0.000 0.440 106 I N 2.622 123.243 120.570 0.084 0.000 2.498 106 I HA 0.368 4.538 4.170 -0.000 0.000 0.290 106 I C -0.426 175.720 176.117 0.048 0.000 1.032 106 I CA -0.700 60.647 61.300 0.078 0.000 1.073 106 I CB 1.635 39.667 38.000 0.054 0.000 1.251 106 I HN 0.494 nan 8.210 nan 0.000 0.426 107 I N 5.146 125.744 120.570 0.046 0.000 2.342 107 I HA 0.667 4.837 4.170 -0.000 0.000 0.291 107 I C 0.357 176.572 176.117 0.164 0.000 1.010 107 I CA -0.074 61.279 61.300 0.088 0.000 1.308 107 I CB 1.405 39.459 38.000 0.089 0.000 1.400 107 I HN 0.665 nan 8.210 nan 0.000 0.488 108 A N 5.484 128.407 122.820 0.172 0.000 2.587 108 A HA 0.725 5.045 4.320 -0.000 0.000 0.293 108 A C -0.989 176.763 177.584 0.280 0.000 1.087 108 A CA -0.668 51.512 52.037 0.239 0.000 0.692 108 A CB 1.725 20.747 19.000 0.038 0.000 1.291 108 A HN 0.664 nan 8.150 nan 0.000 0.407 109 E N 0.660 121.064 120.200 0.340 0.000 2.212 109 E HA 0.719 5.069 4.350 -0.000 0.000 0.270 109 E C -1.123 175.601 176.600 0.207 0.000 0.956 109 E CA -0.426 56.129 56.400 0.258 0.000 0.825 109 E CB 1.940 31.777 29.700 0.228 0.000 1.167 109 E HN 0.540 nan 8.360 nan 0.000 0.400 110 T N 0.959 115.594 114.554 0.135 0.000 2.932 110 T HA 0.570 4.920 4.350 -0.000 0.000 0.318 110 T C 0.039 174.778 174.700 0.065 0.000 1.265 110 T CA 0.049 62.212 62.100 0.106 0.000 1.036 110 T CB 1.333 70.254 68.868 0.089 0.000 1.209 110 T HN 0.542 nan 8.240 nan 0.000 0.484 111 G N 1.375 110.206 108.800 0.052 0.000 2.571 111 G HA2 0.444 4.404 3.960 -0.000 0.000 0.225 111 G HA3 0.444 4.404 3.960 -0.000 0.000 0.225 111 G C 1.513 176.432 174.900 0.031 0.000 1.731 111 G CA 0.562 45.684 45.100 0.037 0.000 0.858 111 G HN 0.917 nan 8.290 nan 0.000 0.611 112 A N -0.691 122.146 122.820 0.029 0.000 2.167 112 A HA 0.433 4.753 4.320 -0.000 0.000 0.214 112 A C 1.956 179.558 177.584 0.030 0.000 1.151 112 A CA 1.627 53.680 52.037 0.027 0.000 0.735 112 A CB -0.492 18.521 19.000 0.022 0.000 0.802 112 A HN 1.928 nan 8.150 nan 0.000 0.467 113 G N -1.453 107.367 108.800 0.033 0.000 2.195 113 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.224 113 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.224 113 G C 0.976 175.886 174.900 0.016 0.000 0.990 113 G CA 0.886 46.002 45.100 0.026 0.000 0.639 113 G HN 0.521 nan 8.290 nan 0.000 0.514 114 Q N 0.292 120.104 119.800 0.020 0.000 2.079 114 Q HA -0.004 4.336 4.340 -0.000 0.000 0.200 114 Q C 1.977 177.982 176.000 0.008 0.000 0.974 114 Q CA 2.462 58.265 55.803 0.000 0.000 0.840 114 Q CB -0.493 28.243 28.738 -0.004 0.000 0.898 114 Q HN 0.749 nan 8.270 nan 0.000 0.430 115 H N -0.908 118.125 119.070 -0.061 0.000 2.421 115 H HA -0.000 4.556 4.556 -0.000 0.000 0.298 115 H C 1.636 176.935 175.328 -0.049 0.000 1.087 115 H CA 1.862 57.869 56.048 -0.068 0.000 1.330 115 H CB -0.432 29.288 29.762 -0.069 0.000 1.388 115 H HN 0.385 nan 8.280 nan 0.000 0.526 116 G N -0.334 108.428 108.800 -0.064 0.000 2.421 116 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 116 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 116 G C 1.850 176.671 174.900 -0.131 0.000 1.171 116 G CA 1.185 46.216 45.100 -0.114 0.000 0.775 116 G HN 0.369 nan 8.290 nan 0.000 0.543 117 V N 1.866 121.725 119.914 -0.091 0.000 2.255 117 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 117 V C 3.378 179.403 176.094 -0.115 0.000 1.051 117 V CA 2.112 64.357 62.300 -0.092 0.000 1.018 117 V CB -1.176 30.603 31.823 -0.073 0.000 0.641 117 V HN 0.495 nan 8.190 nan 0.000 0.445 118 A N -0.518 122.222 122.820 -0.133 0.000 1.915 118 A HA -0.324 3.996 4.320 -0.000 0.000 0.220 118 A C 2.484 179.982 177.584 -0.143 0.000 1.198 118 A CA 2.860 54.818 52.037 -0.132 0.000 0.647 118 A CB -0.889 18.047 19.000 -0.106 0.000 0.825 118 A HN 0.507 nan 8.150 nan 0.000 0.456 119 S N -1.318 114.227 115.700 -0.259 0.000 2.414 119 S HA 0.195 4.665 4.470 -0.000 0.000 0.227 119 S C 2.245 176.771 174.600 -0.124 0.000 1.022 119 S CA 0.842 58.892 58.200 -0.249 0.000 0.958 119 S CB -0.292 62.654 63.200 -0.424 0.000 0.797 119 S HN 0.806 nan 8.310 nan 0.000 0.493 120 A N 1.846 124.597 122.820 -0.116 0.000 1.930 120 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 120 A C 2.105 179.664 177.584 -0.040 0.000 1.175 120 A CA 1.537 53.529 52.037 -0.074 0.000 0.627 120 A CB -0.703 18.250 19.000 -0.079 0.000 0.815 120 A HN 0.547 nan 8.150 nan 0.000 0.443 121 L N -1.927 119.283 121.223 -0.021 0.000 2.093 121 L HA 0.162 4.502 4.340 -0.000 0.000 0.208 121 L C 2.373 179.280 176.870 0.062 0.000 1.085 121 L CA 2.070 56.945 54.840 0.058 0.000 0.755 121 L CB -1.177 40.949 42.059 0.112 0.000 0.904 121 L HN 0.158 nan 8.230 nan 0.000 0.435 122 A N -0.138 122.698 122.820 0.026 0.000 1.930 122 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 122 A C 2.416 179.974 177.584 -0.043 0.000 1.175 122 A CA 1.752 53.785 52.037 -0.006 0.000 0.627 122 A CB -0.909 18.089 19.000 -0.003 0.000 0.815 122 A HN 0.534 nan 8.150 nan 0.000 0.443 123 S N -0.080 115.600 115.700 -0.034 0.000 2.383 123 S HA 0.028 4.498 4.470 -0.000 0.000 0.227 123 S C 2.272 176.850 174.600 -0.038 0.000 1.026 123 S CA 0.981 59.161 58.200 -0.032 0.000 0.981 123 S CB -0.371 62.813 63.200 -0.027 0.000 0.818 123 S HN 0.769 nan 8.310 nan 0.000 0.472 124 A N 1.429 124.230 122.820 -0.032 0.000 1.902 124 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 124 A C 2.115 179.666 177.584 -0.055 0.000 1.181 124 A CA 1.385 53.403 52.037 -0.031 0.000 0.623 124 A CB -0.671 18.324 19.000 -0.009 0.000 0.818 124 A HN 0.437 nan 8.150 nan 0.000 0.443 125 L N -0.917 120.252 121.223 -0.090 0.000 2.093 125 L HA 0.072 4.412 4.340 -0.000 0.000 0.208 125 L C 1.677 178.451 176.870 -0.160 0.000 1.085 125 L CA 1.606 56.335 54.840 -0.184 0.000 0.755 125 L CB -0.167 41.633 42.059 -0.432 0.000 0.904 125 L HN 0.341 nan 8.230 nan 0.000 0.435 126 L N -0.509 120.638 121.223 -0.126 0.000 2.667 126 L HA 0.365 4.705 4.340 -0.000 0.000 0.232 126 L C 1.097 177.931 176.870 -0.059 0.000 1.138 126 L CA 0.341 55.119 54.840 -0.102 0.000 0.921 126 L CB -0.287 41.709 42.059 -0.104 0.000 1.180 126 L HN 0.448 nan 8.230 nan 0.000 0.487 127 G N 1.124 109.894 108.800 -0.049 0.000 2.225 127 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.264 127 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.264 127 G C -0.157 174.735 174.900 -0.014 0.000 1.060 127 G CA -0.025 45.057 45.100 -0.029 0.000 0.833 127 G HN 0.239 nan 8.290 nan 0.000 0.498 128 L N -0.788 120.429 121.223 -0.011 0.000 2.330 128 L HA 0.592 4.932 4.340 -0.000 0.000 0.271 128 L C 0.655 177.527 176.870 0.003 0.000 1.013 128 L CA -1.109 53.735 54.840 0.006 0.000 0.816 128 L CB 1.867 43.936 42.059 0.017 0.000 1.287 128 L HN 0.134 nan 8.230 nan 0.000 0.435 129 K N 1.774 122.182 120.400 0.013 0.000 2.262 129 K HA 0.307 4.627 4.320 -0.000 0.000 0.282 129 K C -1.206 175.397 176.600 0.004 0.000 1.066 129 K CA -0.389 55.900 56.287 0.005 0.000 0.901 129 K CB 1.132 33.640 32.500 0.012 0.000 1.089 129 K HN 0.635 nan 8.250 nan 0.000 0.476 130 C N 6.354 125.645 119.300 -0.016 0.000 2.322 130 C HA 0.575 5.035 4.460 -0.000 0.000 0.324 130 C C -0.566 174.393 174.990 -0.053 0.000 1.284 130 C CA -0.692 58.310 59.018 -0.027 0.000 1.606 130 C CB -0.086 27.630 27.740 -0.041 0.000 2.251 130 C HN 1.041 nan 8.230 nan 0.000 0.502 131 R N 5.375 125.834 120.500 -0.068 0.000 2.740 131 R HA 0.854 5.194 4.340 -0.000 0.000 0.282 131 R C -1.533 174.651 176.300 -0.194 0.000 0.969 131 R CA -0.774 55.238 56.100 -0.147 0.000 0.918 131 R CB 1.171 31.370 30.300 -0.168 0.000 1.175 131 R HN 0.654 nan 8.270 nan 0.000 0.464 132 I N 2.653 123.073 120.570 -0.252 0.000 2.436 132 I HA 0.305 4.475 4.170 -0.000 0.000 0.289 132 I C -0.976 174.972 176.117 -0.283 0.000 1.010 132 I CA -1.138 60.048 61.300 -0.190 0.000 1.098 132 I CB 1.623 39.559 38.000 -0.105 0.000 1.266 132 I HN 0.557 nan 8.210 nan 0.000 0.434 133 Y N 6.338 126.645 120.300 0.010 0.000 2.308 133 Y HA 0.567 5.117 4.550 -0.000 0.000 0.329 133 Y C 0.173 176.071 175.900 -0.003 0.000 1.111 133 Y CA -0.292 57.806 58.100 -0.003 0.000 1.179 133 Y CB 1.491 39.945 38.460 -0.010 0.000 1.201 133 Y HN 0.434 nan 8.280 nan 0.000 0.483 134 M N 2.302 121.962 119.600 0.100 0.000 2.271 134 M HA 0.532 5.012 4.480 -0.000 0.000 0.285 134 M C -0.200 176.107 176.300 0.011 0.000 1.059 134 M CA -0.604 54.725 55.300 0.048 0.000 0.940 134 M CB 1.454 34.064 32.600 0.017 0.000 1.636 134 M HN 0.810 nan 8.290 nan 0.000 0.460 135 G N 1.965 110.769 108.800 0.006 0.000 2.414 135 G HA2 0.349 4.309 3.960 -0.000 0.000 0.236 135 G HA3 0.349 4.309 3.960 -0.000 0.000 0.236 135 G C 0.772 175.634 174.900 -0.064 0.000 1.293 135 G CA 0.249 45.330 45.100 -0.033 0.000 0.869 135 G HN 1.039 nan 8.290 nan 0.000 0.556 136 A N 1.962 124.696 122.820 -0.143 0.000 2.024 136 A HA -0.065 4.255 4.320 -0.000 0.000 0.220 136 A C 2.278 179.848 177.584 -0.022 0.000 1.164 136 A CA 1.755 53.712 52.037 -0.134 0.000 0.643 136 A CB -0.190 18.667 19.000 -0.237 0.000 0.806 136 A HN 0.689 nan 8.150 nan 0.000 0.451 137 K N -0.618 119.780 120.400 -0.004 0.000 2.116 137 K HA -0.079 4.241 4.320 -0.000 0.000 0.203 137 K C 1.191 177.802 176.600 0.018 0.000 1.052 137 K CA 1.175 57.474 56.287 0.019 0.000 0.952 137 K CB -0.088 32.425 32.500 0.022 0.000 0.729 137 K HN 0.389 nan 8.250 nan 0.000 0.446 138 D N 0.456 120.862 120.400 0.010 0.000 2.149 138 D HA -0.101 4.539 4.640 -0.000 0.000 0.201 138 D C 1.922 178.234 176.300 0.020 0.000 0.972 138 D CA 0.795 54.806 54.000 0.018 0.000 0.835 138 D CB -0.031 40.780 40.800 0.017 0.000 0.966 138 D HN -0.093 nan 8.370 nan 0.000 0.476 139 V N 1.220 121.140 119.914 0.010 0.000 2.392 139 V HA -0.257 3.863 4.120 -0.000 0.000 0.249 139 V C 2.471 178.582 176.094 0.028 0.000 1.059 139 V CA 1.865 64.176 62.300 0.018 0.000 1.051 139 V CB -0.427 31.399 31.823 0.005 0.000 0.658 139 V HN 0.158 nan 8.190 nan 0.000 0.455 140 E N 1.267 121.483 120.200 0.028 0.000 2.110 140 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 140 E C 2.214 178.835 176.600 0.034 0.000 0.988 140 E CA 1.484 57.904 56.400 0.033 0.000 0.804 140 E CB -0.188 29.533 29.700 0.035 0.000 0.745 140 E HN 0.726 nan 8.360 nan 0.000 0.458 141 R N -0.516 120.006 120.500 0.036 0.000 2.317 141 R HA 0.106 4.446 4.340 -0.000 0.000 0.208 141 R C 0.292 176.621 176.300 0.048 0.000 0.914 141 R CA 0.157 56.282 56.100 0.042 0.000 1.060 141 R CB 0.320 30.646 30.300 0.043 0.000 1.015 141 R HN 0.094 nan 8.270 nan 0.000 0.498 142 Q N 0.824 120.652 119.800 0.046 0.000 2.217 142 Q HA 0.231 4.571 4.340 -0.000 0.000 0.340 142 Q C 0.296 176.333 176.000 0.061 0.000 0.893 142 Q CA -0.122 55.713 55.803 0.053 0.000 1.142 142 Q CB 1.641 30.406 28.738 0.044 0.000 1.288 142 Q HN 0.219 nan 8.270 nan 0.000 0.426 143 S N 1.681 117.417 115.700 0.060 0.000 2.390 143 S HA -0.193 4.277 4.470 -0.000 0.000 0.234 143 S C -0.764 173.900 174.600 0.106 0.000 1.063 143 S CA 1.734 59.976 58.200 0.070 0.000 1.108 143 S CB -1.308 61.916 63.200 0.039 0.000 0.975 143 S HN 0.354 nan 8.310 nan 0.000 0.442 144 P HA -0.057 nan 4.420 nan 0.000 0.214 144 P C 1.136 178.518 177.300 0.136 0.000 1.163 144 P CA 1.090 64.273 63.100 0.138 0.000 0.883 144 P CB -0.190 31.572 31.700 0.103 0.000 0.788 145 N N -0.695 118.056 118.700 0.085 0.000 2.061 145 N HA -0.119 4.620 4.740 -0.000 0.000 0.193 145 N C 1.820 177.367 175.510 0.062 0.000 1.030 145 N CA 0.979 54.062 53.050 0.055 0.000 0.856 145 N CB -1.317 37.189 38.487 0.032 0.000 1.023 145 N HN -0.037 nan 8.380 nan 0.000 0.424 146 V N 0.748 120.714 119.914 0.085 0.000 2.295 146 V HA -0.204 3.915 4.120 -0.000 0.000 0.246 146 V C 2.003 178.183 176.094 0.143 0.000 1.049 146 V CA 1.327 63.679 62.300 0.087 0.000 1.024 146 V CB -0.568 31.308 31.823 0.088 0.000 0.648 146 V HN 0.174 nan 8.190 nan 0.000 0.447 147 F N 1.130 121.081 119.950 0.003 0.000 2.234 147 F HA -0.077 4.450 4.527 -0.000 0.000 0.299 147 F C 2.449 178.248 175.800 -0.000 0.000 1.087 147 F CA 1.356 59.358 58.000 0.003 0.000 1.340 147 F CB -0.367 38.639 39.000 0.010 0.000 1.031 147 F HN 0.018 nan 8.300 nan 0.000 0.500 148 R N -0.459 120.002 120.500 -0.065 0.000 2.091 148 R HA -0.194 4.146 4.340 -0.000 0.000 0.238 148 R C 2.283 178.481 176.300 -0.170 0.000 1.136 148 R CA 2.037 58.034 56.100 -0.171 0.000 0.959 148 R CB -0.462 29.799 30.300 -0.066 0.000 0.856 148 R HN 0.330 nan 8.270 nan 0.000 0.437 149 M N -0.331 119.209 119.600 -0.100 0.000 2.159 149 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 149 M C 2.219 178.452 176.300 -0.113 0.000 1.063 149 M CA 1.655 56.901 55.300 -0.090 0.000 1.110 149 M CB -0.100 32.466 32.600 -0.057 0.000 1.374 149 M HN 0.070 nan 8.290 nan 0.000 0.411 150 R N 0.130 120.552 120.500 -0.129 0.000 2.090 150 R HA -0.011 4.329 4.340 -0.000 0.000 0.228 150 R C 2.097 178.271 176.300 -0.210 0.000 1.110 150 R CA 0.985 57.009 56.100 -0.127 0.000 0.973 150 R CB -0.366 29.907 30.300 -0.044 0.000 0.869 150 R HN 0.353 nan 8.270 nan 0.000 0.440 151 L N 0.231 121.217 121.223 -0.396 0.000 2.079 151 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 151 L C 2.160 178.918 176.870 -0.187 0.000 1.081 151 L CA 1.435 56.053 54.840 -0.369 0.000 0.752 151 L CB -0.212 41.562 42.059 -0.475 0.000 0.896 151 L HN 0.236 nan 8.230 nan 0.000 0.433 152 M N -1.241 118.268 119.600 -0.152 0.000 2.561 152 M HA 0.145 4.625 4.480 -0.000 0.000 0.238 152 M C 1.292 177.551 176.300 -0.069 0.000 1.131 152 M CA 0.785 56.033 55.300 -0.088 0.000 1.046 152 M CB 0.408 32.968 32.600 -0.066 0.000 1.532 152 M HN 0.418 nan 8.290 nan 0.000 0.497 153 G N 0.352 109.106 108.800 -0.076 0.000 2.179 153 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.220 153 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.220 153 G C 0.146 175.017 174.900 -0.049 0.000 0.990 153 G CA -0.104 44.964 45.100 -0.053 0.000 0.646 153 G HN 0.642 nan 8.290 nan 0.000 0.517 154 A N 0.106 122.890 122.820 -0.060 0.000 2.322 154 A HA 0.676 4.996 4.320 -0.000 0.000 0.269 154 A C 0.368 177.918 177.584 -0.058 0.000 1.094 154 A CA 0.331 52.333 52.037 -0.059 0.000 0.807 154 A CB 0.589 19.547 19.000 -0.070 0.000 1.047 154 A HN 0.537 nan 8.150 nan 0.000 0.487 155 E N 1.420 121.580 120.200 -0.066 0.000 2.194 155 E HA 0.415 4.765 4.350 -0.000 0.000 0.284 155 E C -1.281 175.256 176.600 -0.104 0.000 1.035 155 E CA -0.297 56.060 56.400 -0.073 0.000 0.836 155 E CB 0.665 30.320 29.700 -0.075 0.000 1.070 155 E HN 0.348 nan 8.360 nan 0.000 0.401 156 V N 7.232 127.098 119.914 -0.079 0.000 2.350 156 V HA 0.309 4.429 4.120 -0.000 0.000 0.276 156 V C 0.095 176.133 176.094 -0.093 0.000 1.028 156 V CA -0.465 61.782 62.300 -0.088 0.000 0.860 156 V CB 1.028 32.829 31.823 -0.037 0.000 0.990 156 V HN 0.637 nan 8.190 nan 0.000 0.453 157 I N 7.459 127.934 120.570 -0.158 0.000 2.382 157 I HA 0.373 4.543 4.170 -0.000 0.000 0.286 157 I C -2.530 173.563 176.117 -0.040 0.000 1.002 157 I CA -2.017 59.216 61.300 -0.111 0.000 1.135 157 I CB 2.378 40.199 38.000 -0.298 0.000 1.288 157 I HN 0.401 nan 8.210 nan 0.000 0.448 158 P HA 0.135 nan 4.420 nan 0.000 0.271 158 P C -0.869 176.316 177.300 -0.192 0.000 1.216 158 P CA -0.150 62.885 63.100 -0.107 0.000 0.771 158 P CB 1.001 32.615 31.700 -0.143 0.000 0.864 159 V N 3.947 123.732 119.914 -0.215 0.000 2.448 159 V HA 0.184 4.304 4.120 -0.000 0.000 0.295 159 V C 0.402 176.335 176.094 -0.268 0.000 1.025 159 V CA -0.050 62.168 62.300 -0.137 0.000 0.859 159 V CB 1.153 32.980 31.823 0.007 0.000 0.988 159 V HN 0.649 nan 8.190 nan 0.000 0.431 160 H N 0.881 119.980 119.070 0.048 0.000 2.705 160 H HA 0.166 4.722 4.556 -0.000 0.000 0.269 160 H C 1.351 176.692 175.328 0.021 0.000 0.998 160 H CA 0.444 56.511 56.048 0.032 0.000 1.193 160 H CB 0.516 30.296 29.762 0.030 0.000 1.485 160 H HN 0.670 nan 8.280 nan 0.000 0.521 161 S N 0.091 115.852 115.700 0.102 0.000 2.593 161 S HA 0.415 4.884 4.470 -0.000 0.000 0.269 161 S C 1.501 176.119 174.600 0.031 0.000 1.334 161 S CA -0.127 58.111 58.200 0.063 0.000 1.015 161 S CB 1.210 64.438 63.200 0.046 0.000 0.912 161 S HN 0.612 nan 8.310 nan 0.000 0.541 162 G N 1.899 110.711 108.800 0.019 0.000 2.629 162 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.313 162 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.313 162 G C 1.053 175.952 174.900 -0.001 0.000 1.217 162 G CA 1.521 46.620 45.100 -0.003 0.000 0.994 162 G HN 2.084 nan 8.290 nan 0.000 0.549 163 S N 0.474 116.166 115.700 -0.013 0.000 2.575 163 S HA 0.509 4.979 4.470 -0.000 0.000 0.215 163 S C 1.741 176.341 174.600 -0.001 0.000 0.966 163 S CA 1.437 59.630 58.200 -0.010 0.000 0.911 163 S CB 0.234 63.419 63.200 -0.026 0.000 0.780 163 S HN 2.642 nan 8.310 nan 0.000 0.514 164 A N 0.493 123.313 122.820 -0.000 0.000 2.860 164 A HA -0.148 4.172 4.320 -0.000 0.000 0.267 164 A C 0.882 178.459 177.584 -0.011 0.000 1.421 164 A CA 1.209 53.241 52.037 -0.008 0.000 0.831 164 A CB -2.740 16.268 19.000 0.013 0.000 1.041 164 A HN 1.240 nan 8.150 nan 0.000 0.623 165 T N -4.650 109.897 114.554 -0.011 0.000 2.602 165 T HA 0.644 4.994 4.350 -0.000 0.000 0.235 165 T C 1.172 175.868 174.700 -0.007 0.000 0.882 165 T CA 0.047 62.143 62.100 -0.007 0.000 1.123 165 T CB -0.020 68.844 68.868 -0.006 0.000 1.662 165 T HN 1.238 nan 8.240 nan 0.000 0.536 166 L N 1.390 122.610 121.223 -0.006 0.000 2.093 166 L HA 0.150 4.490 4.340 -0.000 0.000 0.208 166 L C 2.589 179.445 176.870 -0.024 0.000 1.085 166 L CA 2.013 56.855 54.840 0.003 0.000 0.755 166 L CB -0.980 41.094 42.059 0.024 0.000 0.904 166 L HN 0.803 nan 8.230 nan 0.000 0.435 167 K N -1.190 119.185 120.400 -0.042 0.000 2.148 167 K HA -0.148 4.171 4.320 -0.000 0.000 0.204 167 K C 1.382 177.986 176.600 0.006 0.000 1.050 167 K CA 1.638 57.906 56.287 -0.031 0.000 0.942 167 K CB -0.694 31.777 32.500 -0.049 0.000 0.724 167 K HN 0.434 nan 8.250 nan 0.000 0.446 168 D N 1.741 122.136 120.400 -0.010 0.000 2.117 168 D HA -0.108 4.531 4.640 -0.000 0.000 0.198 168 D C 2.076 178.370 176.300 -0.010 0.000 0.982 168 D CA 1.451 55.449 54.000 -0.004 0.000 0.828 168 D CB -0.051 40.744 40.800 -0.009 0.000 0.967 168 D HN 0.431 nan 8.370 nan 0.000 0.464 169 A N 0.898 123.719 122.820 0.002 0.000 2.015 169 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 169 A C 2.478 180.053 177.584 -0.015 0.000 1.163 169 A CA 0.698 52.747 52.037 0.020 0.000 0.646 169 A CB -0.871 18.178 19.000 0.081 0.000 0.806 169 A HN 0.293 nan 8.150 nan 0.000 0.448 170 C N 0.064 119.347 119.300 -0.029 0.000 2.411 170 C HA -0.099 4.361 4.460 -0.000 0.000 0.279 170 C C 2.597 177.588 174.990 0.002 0.000 1.288 170 C CA 1.210 60.204 59.018 -0.041 0.000 1.764 170 C CB -1.345 26.190 27.740 -0.342 0.000 1.974 170 C HN 0.644 nan 8.230 nan 0.000 0.498 171 N N 0.691 119.389 118.700 -0.003 0.000 2.216 171 N HA -0.098 4.642 4.740 -0.000 0.000 0.183 171 N C 1.708 177.155 175.510 -0.106 0.000 1.017 171 N CA 1.033 54.096 53.050 0.022 0.000 0.861 171 N CB -0.501 38.019 38.487 0.055 0.000 0.986 171 N HN 0.540 nan 8.380 nan 0.000 0.428 172 E N 1.231 121.303 120.200 -0.214 0.000 2.072 172 E HA 0.045 4.394 4.350 -0.000 0.000 0.191 172 E C 1.801 177.945 176.600 -0.760 0.000 0.985 172 E CA 1.050 57.161 56.400 -0.481 0.000 0.801 172 E CB -0.318 29.001 29.700 -0.634 0.000 0.750 172 E HN 0.294 nan 8.360 nan 0.000 0.452 173 A N 0.359 122.785 122.820 -0.657 0.000 1.908 173 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 173 A C 2.211 179.511 177.584 -0.473 0.000 1.181 173 A CA 1.497 53.186 52.037 -0.580 0.000 0.627 173 A CB -0.728 17.882 19.000 -0.650 0.000 0.818 173 A HN 0.343 nan 8.150 nan 0.000 0.445 174 L N -1.500 119.545 121.223 -0.297 0.000 2.291 174 L HA -0.079 4.261 4.340 -0.000 0.000 0.214 174 L C 2.714 179.566 176.870 -0.030 0.000 1.120 174 L CA 0.725 55.502 54.840 -0.105 0.000 0.799 174 L CB -0.311 41.756 42.059 0.012 0.000 0.925 174 L HN 0.351 nan 8.230 nan 0.000 0.446 175 R N -0.428 120.017 120.500 -0.092 0.000 2.093 175 R HA -0.129 4.211 4.340 -0.000 0.000 0.224 175 R C 1.937 178.230 176.300 -0.011 0.000 1.101 175 R CA 1.166 57.237 56.100 -0.048 0.000 0.979 175 R CB -0.228 30.023 30.300 -0.081 0.000 0.877 175 R HN 0.258 nan 8.270 nan 0.000 0.441 176 D N -0.002 120.373 120.400 -0.042 0.000 2.123 176 D HA -0.182 4.458 4.640 -0.000 0.000 0.200 176 D C 1.529 177.953 176.300 0.206 0.000 0.976 176 D CA 0.774 54.819 54.000 0.075 0.000 0.831 176 D CB -0.035 40.818 40.800 0.087 0.000 0.974 176 D HN 0.163 nan 8.370 nan 0.000 0.469 177 W N 1.591 122.878 121.300 -0.022 0.000 2.374 177 W HA -0.001 4.659 4.660 0.000 0.000 0.288 177 W C -1.296 175.330 176.519 0.179 0.000 1.218 177 W CA 0.486 57.871 57.345 0.067 0.000 1.245 177 W CB -1.358 28.103 29.460 0.002 0.000 1.126 177 W HN 0.162 nan 8.180 nan 0.000 0.545 178 P HA -0.054 nan 4.420 nan 0.000 0.220 178 P C 1.620 179.026 177.300 0.177 0.000 1.148 178 P CA 2.466 65.651 63.100 0.141 0.000 0.803 178 P CB -0.470 31.274 31.700 0.073 0.000 0.782 179 G N -0.844 108.034 108.800 0.130 0.000 2.985 179 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.209 179 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.209 179 G C 1.023 175.949 174.900 0.044 0.000 1.165 179 G CA 0.683 45.827 45.100 0.073 0.000 0.776 179 G HN 0.407 nan 8.290 nan 0.000 0.541 180 S N -0.868 114.896 115.700 0.106 0.000 2.847 180 S HA 0.092 4.562 4.470 -0.000 0.000 0.254 180 S C 1.550 176.212 174.600 0.103 0.000 1.039 180 S CA -0.070 58.189 58.200 0.099 0.000 1.113 180 S CB -0.593 62.718 63.200 0.186 0.000 1.092 180 S HN 0.474 nan 8.310 nan 0.000 0.620 181 Y N 1.429 121.747 120.300 0.031 0.000 2.497 181 Y HA 0.269 4.819 4.550 -0.000 0.000 0.292 181 Y C 1.888 177.831 175.900 0.073 0.000 1.137 181 Y CA 0.885 58.974 58.100 -0.019 0.000 1.285 181 Y CB -0.422 37.650 38.460 -0.648 0.000 0.991 181 Y HN 0.411 nan 8.280 nan 0.000 0.556 182 E N 1.155 121.103 120.200 -0.420 0.000 2.150 182 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 182 E C 1.115 177.705 176.600 -0.016 0.000 0.985 182 E CA 1.849 58.110 56.400 -0.232 0.000 0.814 182 E CB 0.021 29.545 29.700 -0.293 0.000 0.752 182 E HN 0.668 nan 8.360 nan 0.000 0.466 183 T N -3.034 111.538 114.554 0.030 0.000 3.043 183 T HA 0.558 4.908 4.350 -0.000 0.000 0.272 183 T C 0.029 174.833 174.700 0.174 0.000 0.990 183 T CA -0.069 62.085 62.100 0.090 0.000 0.897 183 T CB 1.070 69.973 68.868 0.057 0.000 1.111 183 T HN 0.178 nan 8.240 nan 0.000 0.529 184 A N 1.227 124.211 122.820 0.274 0.000 2.386 184 A HA 0.720 5.040 4.320 -0.000 0.000 0.311 184 A C -1.208 176.714 177.584 0.564 0.000 1.068 184 A CA -0.749 51.489 52.037 0.336 0.000 0.743 184 A CB 1.040 20.237 19.000 0.328 0.000 1.258 184 A HN 0.541 nan 8.150 nan 0.000 0.429 185 H N 0.870 120.112 119.070 0.287 0.000 2.458 185 H HA 0.494 5.049 4.556 -0.000 0.000 0.330 185 H C -1.439 173.874 175.328 -0.025 0.000 1.111 185 H CA -0.462 55.735 56.048 0.248 0.000 1.245 185 H CB 0.829 30.710 29.762 0.198 0.000 1.456 185 H HN 0.560 nan 8.280 nan 0.000 0.488 186 Y N 6.225 125.709 120.300 -1.360 0.000 2.585 186 Y HA 0.147 4.696 4.550 -0.000 0.000 0.354 186 Y C -0.429 174.806 175.900 -1.109 0.000 1.024 186 Y CA -0.965 56.314 58.100 -1.369 0.000 1.321 186 Y CB -0.025 37.225 38.460 -2.018 0.000 1.151 186 Y HN 0.736 nan 8.280 nan 0.000 0.525 187 M N 8.820 128.033 119.600 -0.645 0.000 2.664 187 M HA 0.278 4.758 4.480 -0.000 0.000 0.332 187 M C -1.352 174.665 176.300 -0.473 0.000 1.354 187 M CA -0.356 54.718 55.300 -0.378 0.000 1.399 187 M CB -0.134 32.453 32.600 -0.022 0.000 1.224 187 M HN 0.718 nan 8.290 nan 0.000 0.479 188 L N 3.745 124.337 121.223 -1.051 0.000 2.456 188 L HA 0.276 4.615 4.340 -0.000 0.000 0.272 188 L C 1.043 177.542 176.870 -0.619 0.000 1.189 188 L CA 0.260 54.460 54.840 -1.066 0.000 0.846 188 L CB 0.940 42.039 42.059 -1.600 0.000 1.111 188 L HN 0.893 nan 8.230 nan 0.000 0.475 189 G N 1.949 110.287 108.800 -0.770 0.000 3.393 189 G HA2 0.165 4.125 3.960 -0.000 0.000 0.255 189 G HA3 0.165 4.125 3.960 -0.000 0.000 0.255 189 G C 0.137 174.656 174.900 -0.634 0.000 1.097 189 G CA 0.361 44.654 45.100 -1.345 0.000 0.780 189 G HN 0.602 nan 8.290 nan 0.000 0.540 190 T N -1.405 112.872 114.554 -0.462 0.000 2.647 190 T HA 0.552 4.901 4.350 -0.000 0.000 0.295 190 T C -0.593 173.968 174.700 -0.232 0.000 1.126 190 T CA 0.289 62.187 62.100 -0.337 0.000 1.040 190 T CB 1.228 69.811 68.868 -0.474 0.000 1.472 190 T HN 0.246 nan 8.240 nan 0.000 0.500 191 A N 0.994 123.720 122.820 -0.156 0.000 3.202 191 A HA 0.746 5.066 4.320 -0.000 0.000 0.258 191 A C 0.419 177.960 177.584 -0.071 0.000 1.572 191 A CA 0.324 52.309 52.037 -0.087 0.000 1.241 191 A CB -1.530 17.440 19.000 -0.050 0.000 1.127 191 A HN 1.162 nan 8.150 nan 0.000 0.648 192 A N -0.716 122.047 122.820 -0.095 0.000 2.529 192 A HA 0.971 5.291 4.320 -0.000 0.000 0.296 192 A C 0.381 177.947 177.584 -0.030 0.000 1.205 192 A CA -0.070 51.969 52.037 0.004 0.000 0.671 192 A CB 0.242 19.263 19.000 0.035 0.000 1.301 192 A HN 2.327 nan 8.150 nan 0.000 0.450 193 G N -1.337 107.462 108.800 -0.002 0.000 2.610 193 G HA2 0.139 4.099 3.960 -0.000 0.000 0.304 193 G HA3 0.139 4.099 3.960 -0.000 0.000 0.304 193 G C -3.142 171.653 174.900 -0.174 0.000 1.309 193 G CA -0.214 44.588 45.100 -0.498 0.000 0.906 193 G HN 1.035 nan 8.290 nan 0.000 0.521 194 P HA 0.282 nan 4.420 nan 0.000 0.274 194 P C -0.245 177.106 177.300 0.086 0.000 1.231 194 P CA -0.079 63.027 63.100 0.011 0.000 0.790 194 P CB 0.726 32.443 31.700 0.027 0.000 0.951 195 H N 4.064 123.096 119.070 -0.063 0.000 2.928 195 H HA 0.060 4.615 4.556 -0.000 0.000 0.338 195 H C -1.475 173.774 175.328 -0.132 0.000 1.047 195 H CA -0.630 55.353 56.048 -0.108 0.000 1.435 195 H CB 0.363 30.018 29.762 -0.179 0.000 1.428 195 H HN 0.259 nan 8.280 nan 0.000 0.590 196 P HA -0.003 nan 4.420 nan 0.000 0.263 196 P C 0.177 177.073 177.300 -0.673 0.000 1.448 196 P CA 0.173 62.577 63.100 -1.160 0.000 0.983 196 P CB 0.068 31.087 31.700 -1.136 0.000 1.481 197 Y N 1.493 121.589 120.300 -0.339 0.000 2.181 197 Y HA -0.074 4.476 4.550 -0.000 0.000 0.288 197 Y C -0.279 175.476 175.900 -0.242 0.000 1.146 197 Y CA 1.881 59.802 58.100 -0.299 0.000 1.164 197 Y CB -2.315 35.983 38.460 -0.271 0.000 0.982 197 Y HN 0.186 nan 8.280 nan 0.000 0.515 198 P HA -0.104 nan 4.420 nan 0.000 0.217 198 P C 1.509 178.807 177.300 -0.004 0.000 1.150 198 P CA 2.106 65.217 63.100 0.018 0.000 0.832 198 P CB -0.020 31.756 31.700 0.127 0.000 0.787 199 T N -0.545 114.002 114.554 -0.012 0.000 2.737 199 T HA -0.078 4.272 4.350 -0.000 0.000 0.265 199 T C 1.771 176.239 174.700 -0.387 0.000 1.038 199 T CA 1.050 63.097 62.100 -0.089 0.000 1.144 199 T CB -0.859 67.970 68.868 -0.066 0.000 0.866 199 T HN 0.049 nan 8.240 nan 0.000 0.434 200 I N 0.738 120.866 120.570 -0.738 0.000 2.179 200 I HA -0.149 4.021 4.170 -0.000 0.000 0.242 200 I C 2.453 178.198 176.117 -0.621 0.000 1.088 200 I CA 1.012 61.640 61.300 -1.120 0.000 1.357 200 I CB -0.352 36.953 38.000 -1.158 0.000 1.051 200 I HN 0.084 nan 8.210 nan 0.000 0.409 201 V N 0.756 120.503 119.914 -0.279 0.000 2.427 201 V HA -0.245 3.874 4.120 -0.000 0.000 0.248 201 V C 2.602 178.708 176.094 0.021 0.000 1.051 201 V CA 1.719 63.991 62.300 -0.046 0.000 1.048 201 V CB -0.774 31.037 31.823 -0.020 0.000 0.666 201 V HN 0.413 nan 8.190 nan 0.000 0.456 202 R N 0.347 120.833 120.500 -0.024 0.000 2.094 202 R HA -0.214 4.126 4.340 -0.000 0.000 0.239 202 R C 2.236 178.598 176.300 0.104 0.000 1.137 202 R CA 2.041 58.163 56.100 0.037 0.000 0.943 202 R CB -0.244 30.071 30.300 0.025 0.000 0.850 202 R HN 0.454 nan 8.270 nan 0.000 0.433 203 E N -0.165 120.075 120.200 0.066 0.000 2.204 203 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 203 E C 1.509 178.378 176.600 0.448 0.000 0.989 203 E CA 0.744 57.267 56.400 0.206 0.000 0.824 203 E CB -0.060 29.787 29.700 0.245 0.000 0.756 203 E HN 0.360 nan 8.360 nan 0.000 0.477 204 F N 0.491 120.613 119.950 0.287 0.000 2.773 204 F HA 0.098 4.625 4.527 -0.000 0.000 0.304 204 F C 1.659 177.657 175.800 0.330 0.000 1.129 204 F CA 0.396 58.634 58.000 0.397 0.000 1.378 204 F CB 0.237 39.417 39.000 0.300 0.000 1.095 204 F HN -0.052 nan 8.300 nan 0.000 0.565 205 Q N -0.569 119.467 119.800 0.393 0.000 2.164 205 Q HA 0.100 4.440 4.340 -0.000 0.000 0.226 205 Q C 1.886 177.998 176.000 0.186 0.000 0.813 205 Q CA 0.025 55.985 55.803 0.262 0.000 0.978 205 Q CB 0.426 29.287 28.738 0.206 0.000 1.149 205 Q HN 0.485 nan 8.270 nan 0.000 0.489 206 R N 0.551 121.171 120.500 0.199 0.000 2.235 206 R HA 0.013 4.353 4.340 -0.000 0.000 0.213 206 R C 2.037 178.393 176.300 0.092 0.000 1.059 206 R CA 0.851 57.033 56.100 0.137 0.000 0.997 206 R CB -0.494 29.890 30.300 0.139 0.000 0.884 206 R HN 0.057 nan 8.270 nan 0.000 0.462 207 M N 0.496 120.149 119.600 0.089 0.000 2.358 207 M HA -0.032 4.447 4.480 -0.000 0.000 0.264 207 M C 1.652 177.975 176.300 0.038 0.000 1.064 207 M CA 1.530 56.851 55.300 0.035 0.000 1.093 207 M CB -0.724 31.866 32.600 -0.016 0.000 1.401 207 M HN 0.212 nan 8.290 nan 0.000 0.440 208 I N 1.521 122.133 120.570 0.069 0.000 2.163 208 I HA -0.198 3.972 4.170 -0.000 0.000 0.243 208 I C 2.795 178.969 176.117 0.095 0.000 1.085 208 I CA 1.641 62.987 61.300 0.077 0.000 1.347 208 I CB -1.165 36.885 38.000 0.084 0.000 1.044 208 I HN 0.444 nan 8.210 nan 0.000 0.408 209 G N 0.027 108.888 108.800 0.102 0.000 2.403 209 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.216 209 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.216 209 G C 1.518 176.352 174.900 -0.111 0.000 1.154 209 G CA 0.374 45.536 45.100 0.104 0.000 0.784 209 G HN 0.401 nan 8.290 nan 0.000 0.538 210 E N 0.374 120.523 120.200 -0.086 0.000 2.072 210 E HA -0.092 4.257 4.350 -0.000 0.000 0.191 210 E C 2.413 178.973 176.600 -0.067 0.000 0.985 210 E CA 1.028 57.358 56.400 -0.117 0.000 0.801 210 E CB -0.064 29.600 29.700 -0.060 0.000 0.750 210 E HN 0.535 nan 8.360 nan 0.000 0.452 211 E N 0.089 120.279 120.200 -0.017 0.000 2.072 211 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 211 E C 2.150 178.763 176.600 0.022 0.000 0.985 211 E CA 1.425 57.824 56.400 -0.003 0.000 0.801 211 E CB -0.038 29.667 29.700 0.008 0.000 0.750 211 E HN 0.160 nan 8.360 nan 0.000 0.452 212 T N 1.377 115.975 114.554 0.073 0.000 2.635 212 T HA -0.257 4.093 4.350 -0.000 0.000 0.267 212 T C 1.815 176.618 174.700 0.172 0.000 1.040 212 T CA 1.711 63.898 62.100 0.144 0.000 1.156 212 T CB -0.201 68.828 68.868 0.268 0.000 0.863 212 T HN 0.142 nan 8.240 nan 0.000 0.430 213 K N 0.987 121.476 120.400 0.148 0.000 2.032 213 K HA -0.075 4.245 4.320 -0.000 0.000 0.209 213 K C 2.491 179.109 176.600 0.030 0.000 1.048 213 K CA 1.397 57.744 56.287 0.100 0.000 0.927 213 K CB -0.341 32.003 32.500 -0.260 0.000 0.712 213 K HN 0.302 nan 8.250 nan 0.000 0.441 214 A N 0.752 123.564 122.820 -0.014 0.000 1.969 214 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 214 A C 1.978 179.552 177.584 -0.018 0.000 1.169 214 A CA 1.266 53.292 52.037 -0.018 0.000 0.635 214 A CB -0.342 18.645 19.000 -0.023 0.000 0.810 214 A HN 0.471 nan 8.150 nan 0.000 0.445 215 Q N -1.239 118.549 119.800 -0.020 0.000 2.096 215 Q HA -0.035 4.304 4.340 -0.000 0.000 0.197 215 Q C 1.999 177.931 176.000 -0.114 0.000 0.964 215 Q CA 1.248 57.022 55.803 -0.049 0.000 0.838 215 Q CB -0.216 28.496 28.738 -0.044 0.000 0.906 215 Q HN 0.649 nan 8.270 nan 0.000 0.444 216 I N 0.590 121.087 120.570 -0.122 0.000 2.286 216 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 216 I C 1.778 177.832 176.117 -0.106 0.000 1.115 216 I CA 1.158 62.337 61.300 -0.202 0.000 1.392 216 I CB 0.057 37.961 38.000 -0.159 0.000 1.065 216 I HN 0.156 nan 8.210 nan 0.000 0.418 217 L N -0.146 121.053 121.223 -0.039 0.000 2.056 217 L HA -0.215 4.125 4.340 -0.000 0.000 0.207 217 L C 2.216 179.073 176.870 -0.022 0.000 1.078 217 L CA 1.795 56.626 54.840 -0.015 0.000 0.749 217 L CB -0.805 41.254 42.059 0.000 0.000 0.901 217 L HN 0.283 nan 8.230 nan 0.000 0.433 218 D N 0.203 120.586 120.400 -0.028 0.000 2.123 218 D HA -0.212 4.428 4.640 -0.000 0.000 0.196 218 D C 2.096 178.386 176.300 -0.017 0.000 0.992 218 D CA 1.561 55.549 54.000 -0.020 0.000 0.833 218 D CB 0.193 40.983 40.800 -0.018 0.000 0.954 218 D HN 0.145 nan 8.370 nan 0.000 0.455 219 K N -0.997 119.378 120.400 -0.041 0.000 2.284 219 K HA 0.098 4.418 4.320 -0.000 0.000 0.198 219 K C 1.258 177.867 176.600 0.016 0.000 1.048 219 K CA 0.551 56.833 56.287 -0.008 0.000 0.987 219 K CB 0.525 33.004 32.500 -0.036 0.000 0.800 219 K HN 0.039 nan 8.250 nan 0.000 0.486 220 E N -0.931 119.258 120.200 -0.019 0.000 2.606 220 E HA 0.098 4.448 4.350 -0.000 0.000 0.224 220 E C 0.653 177.259 176.600 0.010 0.000 0.930 220 E CA 0.411 56.822 56.400 0.019 0.000 1.125 220 E CB 1.588 31.292 29.700 0.006 0.000 1.123 220 E HN 0.352 nan 8.360 nan 0.000 0.522 221 G N 2.846 111.645 108.800 -0.001 0.000 2.148 221 G HA2 -0.333 3.626 3.960 -0.000 0.000 0.254 221 G HA3 -0.333 3.626 3.960 -0.000 0.000 0.254 221 G C 0.300 175.205 174.900 0.009 0.000 0.981 221 G CA 0.962 46.065 45.100 0.006 0.000 0.670 221 G HN 0.350 nan 8.290 nan 0.000 0.528 222 R N -1.920 118.584 120.500 0.007 0.000 2.741 222 R HA 0.742 5.082 4.340 -0.000 0.000 0.276 222 R C -0.449 175.863 176.300 0.020 0.000 1.028 222 R CA -1.293 54.817 56.100 0.016 0.000 0.865 222 R CB 0.652 30.960 30.300 0.013 0.000 1.268 222 R HN 0.136 nan 8.270 nan 0.000 0.475 223 L N 0.401 121.645 121.223 0.035 0.000 2.479 223 L HA 0.527 4.867 4.340 -0.000 0.000 0.249 223 L C -1.946 174.912 176.870 -0.019 0.000 1.178 223 L CA -2.320 52.552 54.840 0.054 0.000 0.811 223 L CB 0.705 42.828 42.059 0.106 0.000 1.187 223 L HN 0.448 nan 8.230 nan 0.000 0.480 224 P HA 0.057 nan 4.420 nan 0.000 0.274 224 P C -0.360 176.873 177.300 -0.111 0.000 1.231 224 P CA -0.282 62.747 63.100 -0.118 0.000 0.790 224 P CB 0.557 32.119 31.700 -0.229 0.000 0.951 225 D N 0.282 120.637 120.400 -0.076 0.000 2.144 225 D HA -0.017 4.623 4.640 -0.000 0.000 0.199 225 D C 0.569 176.804 176.300 -0.108 0.000 0.984 225 D CA 1.566 55.523 54.000 -0.072 0.000 0.834 225 D CB 0.159 40.932 40.800 -0.044 0.000 0.955 225 D HN 0.430 nan 8.370 nan 0.000 0.465 226 A N -0.155 122.589 122.820 -0.127 0.000 2.589 226 A HA 0.515 4.834 4.320 -0.000 0.000 0.296 226 A C -1.085 176.404 177.584 -0.158 0.000 1.062 226 A CA -0.736 51.214 52.037 -0.145 0.000 0.686 226 A CB 1.707 20.659 19.000 -0.081 0.000 1.282 226 A HN -0.027 nan 8.150 nan 0.000 0.404 227 V N -0.640 119.163 119.914 -0.184 0.000 2.604 227 V HA 0.908 5.028 4.120 -0.000 0.000 0.305 227 V C -0.772 175.356 176.094 0.057 0.000 1.043 227 V CA -0.689 61.547 62.300 -0.106 0.000 0.888 227 V CB 1.190 32.908 31.823 -0.174 0.000 0.995 227 V HN 0.701 nan 8.190 nan 0.000 0.429 228 I N 3.715 124.345 120.570 0.100 0.000 2.466 228 I HA 0.894 5.064 4.170 -0.000 0.000 0.289 228 I C 0.118 176.300 176.117 0.108 0.000 1.026 228 I CA -0.537 60.836 61.300 0.121 0.000 1.078 228 I CB 2.018 40.084 38.000 0.110 0.000 1.249 228 I HN 1.048 nan 8.210 nan 0.000 0.429 229 A N 4.398 127.274 122.820 0.093 0.000 2.486 229 A HA 0.705 5.025 4.320 -0.000 0.000 0.300 229 A C -0.302 177.254 177.584 -0.046 0.000 1.048 229 A CA -0.727 51.297 52.037 -0.021 0.000 0.696 229 A CB 1.045 19.947 19.000 -0.164 0.000 1.278 229 A HN 0.946 nan 8.150 nan 0.000 0.405 230 C N 0.492 119.764 119.300 -0.047 0.000 2.700 230 C HA 0.713 5.173 4.460 -0.000 0.000 0.397 230 C C 0.200 175.117 174.990 -0.121 0.000 1.301 230 C CA -0.438 58.550 59.018 -0.051 0.000 2.219 230 C CB -0.217 27.508 27.740 -0.026 0.000 2.699 230 C HN 0.723 nan 8.230 nan 0.000 0.669 231 V N 3.533 123.378 119.914 -0.114 0.000 2.385 231 V HA 0.534 4.654 4.120 -0.000 0.000 0.277 231 V C 0.827 176.860 176.094 -0.101 0.000 1.012 231 V CA 0.679 62.886 62.300 -0.155 0.000 0.832 231 V CB 0.632 32.358 31.823 -0.163 0.000 1.028 231 V HN 1.283 nan 8.190 nan 0.000 0.436 232 G N 3.099 111.853 108.800 -0.076 0.000 2.688 232 G HA2 0.258 4.218 3.960 -0.000 0.000 0.214 232 G HA3 0.258 4.218 3.960 -0.000 0.000 0.214 232 G C 1.198 176.150 174.900 0.086 0.000 1.211 232 G CA 0.958 46.050 45.100 -0.013 0.000 0.853 232 G HN 0.796 nan 8.290 nan 0.000 0.591 233 G N -1.416 107.380 108.800 -0.006 0.000 2.781 233 G HA2 0.412 4.372 3.960 -0.000 0.000 0.208 233 G HA3 0.412 4.372 3.960 -0.000 0.000 0.208 233 G C 0.968 175.828 174.900 -0.067 0.000 1.099 233 G CA 0.806 45.871 45.100 -0.058 0.000 0.776 233 G HN 1.623 nan 8.290 nan 0.000 0.532 234 G N 0.163 108.912 108.800 -0.084 0.000 2.227 234 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.168 234 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.168 234 G C 1.417 176.356 174.900 0.065 0.000 1.006 234 G CA 0.950 46.024 45.100 -0.043 0.000 0.684 234 G HN 1.102 nan 8.290 nan 0.000 0.489 235 S N 1.215 116.913 115.700 -0.003 0.000 2.377 235 S HA -0.098 4.372 4.470 -0.000 0.000 0.223 235 S C 2.132 176.723 174.600 -0.015 0.000 1.030 235 S CA 1.559 59.780 58.200 0.036 0.000 0.970 235 S CB -0.487 62.764 63.200 0.085 0.000 0.830 235 S HN 0.837 nan 8.310 nan 0.000 0.473 236 N N 2.679 121.265 118.700 -0.190 0.000 2.270 236 N HA 0.016 4.756 4.740 -0.000 0.000 0.181 236 N C 1.871 177.197 175.510 -0.306 0.000 1.016 236 N CA 1.168 53.937 53.050 -0.468 0.000 0.870 236 N CB -0.505 37.328 38.487 -1.090 0.000 0.979 236 N HN 0.543 nan 8.380 nan 0.000 0.431 237 A N 1.417 124.042 122.820 -0.325 0.000 1.872 237 A HA 0.011 4.331 4.320 -0.000 0.000 0.214 237 A C 2.207 179.389 177.584 -0.669 0.000 1.187 237 A CA 0.805 52.494 52.037 -0.580 0.000 0.614 237 A CB -0.603 18.006 19.000 -0.652 0.000 0.826 237 A HN 0.263 nan 8.150 nan 0.000 0.442 238 I N 0.217 120.677 120.570 -0.184 0.000 2.439 238 I HA -0.042 4.128 4.170 -0.000 0.000 0.251 238 I C 2.224 178.332 176.117 -0.015 0.000 1.139 238 I CA 1.276 62.513 61.300 -0.106 0.000 1.438 238 I CB -0.513 37.417 38.000 -0.116 0.000 1.085 238 I HN 0.218 nan 8.210 nan 0.000 0.427 239 G N 0.152 108.946 108.800 -0.010 0.000 2.408 239 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.217 239 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.217 239 G C 1.602 176.552 174.900 0.085 0.000 1.150 239 G CA 1.045 46.181 45.100 0.060 0.000 0.776 239 G HN 0.408 nan 8.290 nan 0.000 0.542 240 M N -0.264 119.362 119.600 0.044 0.000 2.236 240 M HA 0.274 4.754 4.480 -0.000 0.000 0.266 240 M C 1.820 178.387 176.300 0.445 0.000 1.070 240 M CA 0.972 56.394 55.300 0.203 0.000 1.137 240 M CB -0.335 32.336 32.600 0.117 0.000 1.378 240 M HN 0.080 nan 8.290 nan 0.000 0.426 241 F N 0.379 120.452 119.950 0.204 0.000 2.325 241 F HA 0.190 4.716 4.527 -0.000 0.000 0.299 241 F C 2.497 178.431 175.800 0.224 0.000 1.090 241 F CA 0.612 58.752 58.000 0.233 0.000 1.392 241 F CB -1.829 37.262 39.000 0.152 0.000 1.053 241 F HN 0.276 nan 8.300 nan 0.000 0.521 242 A N -0.153 122.862 122.820 0.325 0.000 1.902 242 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 242 A C 1.921 179.577 177.584 0.121 0.000 1.181 242 A CA 2.049 54.207 52.037 0.201 0.000 0.623 242 A CB -0.956 18.129 19.000 0.142 0.000 0.818 242 A HN 0.269 nan 8.150 nan 0.000 0.443 243 D N -2.141 118.270 120.400 0.018 0.000 2.371 243 D HA -0.002 4.638 4.640 -0.000 0.000 0.221 243 D C 0.758 176.902 176.300 -0.260 0.000 0.986 243 D CA 0.648 54.544 54.000 -0.172 0.000 0.899 243 D CB -0.155 40.435 40.800 -0.349 0.000 0.902 243 D HN 0.411 nan 8.370 nan 0.000 0.530 244 F N -0.579 119.417 119.950 0.076 0.000 2.678 244 F HA 0.335 4.862 4.527 -0.000 0.000 0.305 244 F C 1.725 177.537 175.800 0.020 0.000 1.090 244 F CA -0.258 57.766 58.000 0.040 0.000 1.272 244 F CB 0.059 39.075 39.000 0.028 0.000 1.060 244 F HN -0.038 nan 8.300 nan 0.000 0.576 245 I N 0.268 120.949 120.570 0.185 0.000 2.226 245 I HA -0.315 3.854 4.170 -0.000 0.000 0.245 245 I C 1.489 177.663 176.117 0.094 0.000 1.100 245 I CA 1.208 62.580 61.300 0.121 0.000 1.374 245 I CB -0.252 37.828 38.000 0.133 0.000 1.057 245 I HN 0.086 nan 8.210 nan 0.000 0.413 246 N N 0.389 119.143 118.700 0.089 0.000 2.521 246 N HA -0.036 4.704 4.740 -0.000 0.000 0.188 246 N C -0.227 175.323 175.510 0.068 0.000 1.146 246 N CA 0.641 53.732 53.050 0.068 0.000 0.893 246 N CB -0.227 38.293 38.487 0.056 0.000 0.975 246 N HN 0.265 nan 8.380 nan 0.000 0.451 247 D N 0.302 120.761 120.400 0.099 0.000 2.468 247 D HA 0.055 4.695 4.640 -0.000 0.000 0.218 247 D C 1.027 177.368 176.300 0.069 0.000 1.155 247 D CA 0.085 54.147 54.000 0.103 0.000 0.924 247 D CB 0.747 41.666 40.800 0.197 0.000 1.029 247 D HN 0.223 nan 8.370 nan 0.000 0.515 248 T N -2.129 112.449 114.554 0.041 0.000 3.072 248 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 248 T C 1.760 176.459 174.700 -0.001 0.000 1.127 248 T CA 0.506 62.615 62.100 0.015 0.000 1.107 248 T CB 0.006 68.881 68.868 0.012 0.000 0.910 248 T HN 0.215 nan 8.240 nan 0.000 0.513 249 S N 0.567 116.270 115.700 0.005 0.000 2.489 249 S HA 0.157 4.627 4.470 -0.000 0.000 0.228 249 S C 0.675 175.252 174.600 -0.038 0.000 0.995 249 S CA -0.431 57.762 58.200 -0.013 0.000 0.934 249 S CB -0.519 62.679 63.200 -0.003 0.000 0.771 249 S HN 0.368 nan 8.310 nan 0.000 0.522 250 V N 2.728 122.618 119.914 -0.041 0.000 2.432 250 V HA 0.564 4.684 4.120 -0.000 0.000 0.271 250 V C 1.123 177.126 176.094 -0.151 0.000 1.046 250 V CA -0.507 61.725 62.300 -0.113 0.000 0.945 250 V CB 0.417 32.149 31.823 -0.152 0.000 0.992 250 V HN 0.439 nan 8.190 nan 0.000 0.471 251 G N 5.402 114.101 108.800 -0.168 0.000 2.398 251 G HA2 0.418 4.378 3.960 -0.000 0.000 0.246 251 G HA3 0.418 4.378 3.960 -0.000 0.000 0.246 251 G C -0.528 174.191 174.900 -0.301 0.000 1.289 251 G CA -0.371 44.611 45.100 -0.197 0.000 0.869 251 G HN 0.639 nan 8.290 nan 0.000 0.543 252 L N 3.071 124.044 121.223 -0.416 0.000 2.298 252 L HA 0.471 4.811 4.340 -0.000 0.000 0.284 252 L C -0.236 176.239 176.870 -0.658 0.000 1.013 252 L CA -0.486 53.873 54.840 -0.802 0.000 0.824 252 L CB 1.452 42.732 42.059 -1.299 0.000 1.221 252 L HN 0.335 nan 8.230 nan 0.000 0.418 253 I N 2.474 122.842 120.570 -0.338 0.000 2.436 253 I HA 0.507 4.676 4.170 -0.000 0.000 0.289 253 I C 0.427 176.502 176.117 -0.070 0.000 1.010 253 I CA -0.450 60.693 61.300 -0.262 0.000 1.098 253 I CB 2.085 39.996 38.000 -0.149 0.000 1.266 253 I HN 0.585 nan 8.210 nan 0.000 0.434 254 G N 5.241 113.858 108.800 -0.305 0.000 2.379 254 G HA2 0.635 4.595 3.960 -0.000 0.000 0.327 254 G HA3 0.635 4.595 3.960 -0.000 0.000 0.327 254 G C -1.025 173.858 174.900 -0.028 0.000 1.145 254 G CA -0.397 44.666 45.100 -0.062 0.000 0.905 254 G HN 0.328 nan 8.290 nan 0.000 0.466 255 V N 2.390 122.306 119.914 0.004 0.000 2.407 255 V HA 0.327 4.447 4.120 -0.000 0.000 0.291 255 V C -0.013 176.094 176.094 0.021 0.000 1.018 255 V CA -0.790 61.513 62.300 0.004 0.000 0.842 255 V CB 1.328 33.172 31.823 0.035 0.000 0.996 255 V HN 0.802 nan 8.190 nan 0.000 0.426 256 E N 6.032 126.255 120.200 0.038 0.000 2.318 256 E HA 0.346 4.696 4.350 -0.000 0.000 0.265 256 E C -2.449 174.146 176.600 -0.009 0.000 1.069 256 E CA -1.910 54.490 56.400 -0.000 0.000 0.893 256 E CB 1.331 31.053 29.700 0.037 0.000 1.076 256 E HN 0.427 nan 8.360 nan 0.000 0.414 257 P HA 0.014 nan 4.420 nan 0.000 0.271 257 P C 0.028 177.364 177.300 0.059 0.000 1.226 257 P CA 0.093 63.135 63.100 -0.096 0.000 0.765 257 P CB 0.910 32.453 31.700 -0.262 0.000 0.835 258 G N 2.272 111.149 108.800 0.129 0.000 3.088 258 G HA2 0.293 4.253 3.960 -0.000 0.000 0.217 258 G HA3 0.293 4.253 3.960 -0.000 0.000 0.217 258 G C 0.976 175.975 174.900 0.164 0.000 1.159 258 G CA 0.478 45.640 45.100 0.104 0.000 0.760 258 G HN 0.778 nan 8.290 nan 0.000 0.550 259 G N 0.906 109.794 108.800 0.146 0.000 2.634 259 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.318 259 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.318 259 G C 0.957 175.953 174.900 0.159 0.000 1.207 259 G CA 0.632 45.824 45.100 0.153 0.000 0.987 259 G HN 0.399 nan 8.290 nan 0.000 0.547 260 H N 2.678 121.928 119.070 0.301 0.000 2.547 260 H HA 0.401 4.957 4.556 -0.000 0.000 0.266 260 H C 1.502 176.888 175.328 0.097 0.000 0.988 260 H CA 1.498 57.632 56.048 0.143 0.000 1.147 260 H CB -0.081 29.696 29.762 0.026 0.000 1.365 260 H HN 1.764 nan 8.280 nan 0.000 0.589 261 G N 0.333 109.257 108.800 0.207 0.000 2.634 261 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.568 261 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.568 261 G C 0.463 175.412 174.900 0.083 0.000 1.495 261 G CA -0.544 44.626 45.100 0.116 0.000 0.903 261 G HN -0.017 nan 8.290 nan 0.000 0.646 262 I N 1.485 122.028 120.570 -0.045 0.000 2.194 262 I HA -0.176 3.994 4.170 -0.000 0.000 0.246 262 I C 2.781 178.874 176.117 -0.039 0.000 1.093 262 I CA 2.370 63.554 61.300 -0.194 0.000 1.355 262 I CB -0.740 36.949 38.000 -0.517 0.000 1.046 262 I HN 0.858 nan 8.210 nan 0.000 0.413 263 E N 0.863 121.046 120.200 -0.028 0.000 2.478 263 E HA -0.154 4.196 4.350 -0.000 0.000 0.198 263 E C 1.627 178.249 176.600 0.037 0.000 1.046 263 E CA 1.407 57.807 56.400 -0.000 0.000 0.870 263 E CB -0.769 28.932 29.700 0.002 0.000 0.818 263 E HN 0.618 nan 8.360 nan 0.000 0.527 264 T N -3.361 111.234 114.554 0.068 0.000 3.067 264 T HA 0.288 4.638 4.350 -0.000 0.000 0.257 264 T C 1.687 176.431 174.700 0.073 0.000 1.105 264 T CA 0.770 62.911 62.100 0.068 0.000 1.104 264 T CB -0.070 68.850 68.868 0.087 0.000 0.925 264 T HN 0.319 nan 8.240 nan 0.000 0.498 265 G N 1.520 110.400 108.800 0.134 0.000 2.220 265 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.269 265 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.269 265 G C -0.007 174.886 174.900 -0.011 0.000 0.977 265 G CA 0.381 45.539 45.100 0.097 0.000 0.634 265 G HN 0.652 nan 8.290 nan 0.000 0.539 266 E N 1.032 121.281 120.200 0.081 0.000 2.079 266 E HA 0.487 4.836 4.350 -0.000 0.000 0.252 266 E C 0.395 177.149 176.600 0.257 0.000 0.992 266 E CA -0.130 56.312 56.400 0.070 0.000 0.829 266 E CB 0.219 29.949 29.700 0.050 0.000 1.158 266 E HN 0.870 nan 8.360 nan 0.000 0.435 267 H N -1.208 117.968 119.070 0.176 0.000 3.199 267 H HA 0.684 5.240 4.556 -0.000 0.000 0.292 267 H C 0.108 175.467 175.328 0.052 0.000 1.600 267 H CA -1.217 54.905 56.048 0.123 0.000 1.235 267 H CB 1.002 30.797 29.762 0.055 0.000 1.839 267 H HN 0.179 nan 8.280 nan 0.000 0.623 268 G N -1.096 107.852 108.800 0.247 0.000 4.904 268 G HA2 0.540 4.500 3.960 -0.000 0.000 0.265 268 G HA3 0.540 4.500 3.960 -0.000 0.000 0.265 268 G C -0.666 174.349 174.900 0.191 0.000 1.227 268 G CA -0.012 45.167 45.100 0.132 0.000 0.926 268 G HN 0.841 nan 8.290 nan 0.000 0.581 269 A N 1.777 124.835 122.820 0.397 0.000 3.204 269 A HA 0.672 4.992 4.320 -0.000 0.000 0.327 269 A C -1.139 176.553 177.584 0.181 0.000 0.998 269 A CA -1.180 50.967 52.037 0.182 0.000 0.891 269 A CB 1.084 20.145 19.000 0.102 0.000 1.061 269 A HN 0.184 nan 8.150 nan 0.000 0.478 270 P HA -0.151 nan 4.420 nan 0.000 0.221 270 P C 1.603 178.900 177.300 -0.005 0.000 1.150 270 P CA 0.472 63.620 63.100 0.080 0.000 0.800 270 P CB 0.291 32.008 31.700 0.027 0.000 0.787 271 L N -0.335 120.842 121.223 -0.077 0.000 2.017 271 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 271 L C 2.127 178.888 176.870 -0.180 0.000 1.073 271 L CA 1.882 56.609 54.840 -0.188 0.000 0.745 271 L CB -0.315 41.539 42.059 -0.342 0.000 0.894 271 L HN -0.184 nan 8.230 nan 0.000 0.432 272 K N -1.576 118.705 120.400 -0.199 0.000 2.361 272 K HA 0.107 4.427 4.320 -0.000 0.000 0.194 272 K C 0.975 177.179 176.600 -0.660 0.000 1.032 272 K CA 0.552 56.596 56.287 -0.406 0.000 1.048 272 K CB 0.226 32.462 32.500 -0.439 0.000 0.842 272 K HN 0.521 nan 8.250 nan 0.000 0.526 273 H N -1.886 117.174 119.070 -0.015 0.000 3.398 273 H HA 0.243 4.799 4.556 -0.000 0.000 0.260 273 H C 0.951 176.328 175.328 0.083 0.000 1.189 273 H CA 0.165 56.217 56.048 0.005 0.000 1.145 273 H CB 1.123 30.805 29.762 -0.133 0.000 1.599 273 H HN 0.082 nan 8.280 nan 0.000 0.615 274 G N 0.534 109.410 108.800 0.127 0.000 2.782 274 G HA2 0.534 4.494 3.960 -0.000 0.000 0.201 274 G HA3 0.534 4.494 3.960 -0.000 0.000 0.201 274 G C -0.562 174.379 174.900 0.067 0.000 1.374 274 G CA -0.566 44.597 45.100 0.106 0.000 1.039 274 G HN 0.094 nan 8.290 nan 0.000 0.576 275 R N -1.314 119.220 120.500 0.056 0.000 2.584 275 R HA 0.442 4.782 4.340 -0.000 0.000 0.276 275 R C -1.142 175.199 176.300 0.069 0.000 1.046 275 R CA -0.593 55.541 56.100 0.058 0.000 0.906 275 R CB 2.277 32.605 30.300 0.048 0.000 1.215 275 R HN 0.348 nan 8.270 nan 0.000 0.449 276 V N 3.368 123.341 119.914 0.099 0.000 2.617 276 V HA 0.323 4.443 4.120 -0.000 0.000 0.304 276 V C 0.944 177.089 176.094 0.085 0.000 1.040 276 V CA 0.995 63.376 62.300 0.134 0.000 1.149 276 V CB 0.864 32.802 31.823 0.191 0.000 0.914 276 V HN 0.959 nan 8.190 nan 0.000 0.487 277 G N 4.316 113.166 108.800 0.084 0.000 2.921 277 G HA2 0.755 4.715 3.960 -0.000 0.000 0.291 277 G HA3 0.755 4.715 3.960 -0.000 0.000 0.291 277 G C -1.372 173.544 174.900 0.026 0.000 1.370 277 G CA -0.784 44.343 45.100 0.046 0.000 0.847 277 G HN 0.536 nan 8.290 nan 0.000 0.532 278 I N 0.728 121.292 120.570 -0.010 0.000 2.439 278 I HA 0.493 4.663 4.170 -0.000 0.000 0.285 278 I C -1.326 174.843 176.117 0.087 0.000 1.021 278 I CA -0.595 60.647 61.300 -0.097 0.000 1.091 278 I CB 1.856 39.647 38.000 -0.348 0.000 1.242 278 I HN 0.599 nan 8.210 nan 0.000 0.439 279 Y N 6.709 127.019 120.300 0.016 0.000 2.677 279 Y HA 0.339 4.889 4.550 -0.000 0.000 0.334 279 Y C -0.207 175.829 175.900 0.227 0.000 1.196 279 Y CA -1.401 56.750 58.100 0.084 0.000 1.059 279 Y CB 0.980 39.465 38.460 0.041 0.000 1.315 279 Y HN 0.443 nan 8.280 nan 0.000 0.455 280 F N 3.332 122.566 119.950 -1.194 0.000 3.079 280 F HA -0.123 4.404 4.527 -0.000 0.000 0.274 280 F C 1.008 176.698 175.800 -0.184 0.000 0.940 280 F CA 2.387 59.986 58.000 -0.668 0.000 0.932 280 F CB -0.945 37.672 39.000 -0.639 0.000 0.891 280 F HN 1.554 nan 8.300 nan 0.000 0.722 281 G N 0.071 108.826 108.800 -0.075 0.000 2.195 281 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.246 281 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.246 281 G C 0.255 175.235 174.900 0.134 0.000 0.984 281 G CA 0.497 45.586 45.100 -0.017 0.000 0.633 281 G HN 1.376 nan 8.290 nan 0.000 0.525 282 M N -2.158 117.537 119.600 0.158 0.000 2.721 282 M HA 0.771 5.251 4.480 -0.000 0.000 0.271 282 M C -1.065 175.327 176.300 0.153 0.000 1.259 282 M CA -1.169 54.279 55.300 0.246 0.000 0.835 282 M CB 1.767 34.471 32.600 0.175 0.000 1.689 282 M HN 0.016 nan 8.290 nan 0.000 0.470 283 K N 1.158 121.689 120.400 0.220 0.000 2.265 283 K HA 0.868 5.188 4.320 -0.000 0.000 0.267 283 K C -1.651 175.150 176.600 0.335 0.000 0.994 283 K CA -0.223 56.159 56.287 0.159 0.000 0.860 283 K CB 1.561 34.204 32.500 0.238 0.000 1.099 283 K HN 0.892 nan 8.250 nan 0.000 0.448 284 A N 4.749 127.739 122.820 0.283 0.000 2.586 284 A HA 0.457 4.777 4.320 -0.000 0.000 0.291 284 A C -2.988 174.700 177.584 0.173 0.000 1.062 284 A CA -1.317 50.889 52.037 0.281 0.000 0.666 284 A CB 1.168 20.281 19.000 0.189 0.000 1.281 284 A HN 0.531 nan 8.150 nan 0.000 0.421 285 P HA 0.317 nan 4.420 nan 0.000 0.262 285 P C -0.609 176.714 177.300 0.039 0.000 1.182 285 P CA 0.583 63.712 63.100 0.048 0.000 0.761 285 P CB 0.218 31.892 31.700 -0.044 0.000 0.795 286 M N 2.648 122.269 119.600 0.035 0.000 2.619 286 M HA 0.425 4.904 4.480 -0.000 0.000 0.297 286 M C -0.300 175.994 176.300 -0.010 0.000 1.229 286 M CA -1.043 54.259 55.300 0.003 0.000 0.860 286 M CB 1.646 34.258 32.600 0.021 0.000 1.741 286 M HN 0.203 nan 8.290 nan 0.000 0.462 287 M N 2.978 122.548 119.600 -0.050 0.000 2.220 287 M HA 0.257 4.737 4.480 -0.000 0.000 0.343 287 M C -0.315 175.939 176.300 -0.077 0.000 1.470 287 M CA 0.276 55.542 55.300 -0.057 0.000 1.161 287 M CB -0.688 31.856 32.600 -0.093 0.000 1.737 287 M HN 0.550 nan 8.290 nan 0.000 0.464 288 Q N 1.369 121.137 119.800 -0.053 0.000 2.435 288 Q HA 0.608 4.948 4.340 -0.000 0.000 0.282 288 Q C -0.495 175.480 176.000 -0.042 0.000 1.020 288 Q CA -1.045 54.721 55.803 -0.062 0.000 0.820 288 Q CB 1.070 29.779 28.738 -0.050 0.000 1.436 288 Q HN 0.629 nan 8.270 nan 0.000 0.395 289 T N -1.625 112.900 114.554 -0.049 0.000 2.698 289 T HA 0.412 4.762 4.350 -0.000 0.000 0.295 289 T C 1.240 175.929 174.700 -0.019 0.000 1.007 289 T CA 0.081 62.161 62.100 -0.033 0.000 0.980 289 T CB 0.637 69.483 68.868 -0.036 0.000 1.036 289 T HN 0.792 nan 8.240 nan 0.000 0.526 290 A N 0.788 123.601 122.820 -0.011 0.000 2.015 290 A HA -0.009 4.311 4.320 -0.000 0.000 0.219 290 A C 1.761 179.342 177.584 -0.005 0.000 1.163 290 A CA 1.469 53.505 52.037 -0.003 0.000 0.646 290 A CB -0.854 18.147 19.000 0.001 0.000 0.806 290 A HN 0.953 nan 8.150 nan 0.000 0.448 291 D N -2.740 117.654 120.400 -0.011 0.000 2.342 291 D HA 0.334 4.973 4.640 -0.000 0.000 0.221 291 D C 0.983 177.274 176.300 -0.016 0.000 1.101 291 D CA 0.686 54.679 54.000 -0.011 0.000 0.837 291 D CB -0.346 40.448 40.800 -0.010 0.000 0.938 291 D HN 0.702 nan 8.370 nan 0.000 0.508 292 G N -0.071 108.715 108.800 -0.023 0.000 2.154 292 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.186 292 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.186 292 G C -0.115 174.754 174.900 -0.053 0.000 1.000 292 G CA -0.506 44.577 45.100 -0.029 0.000 0.664 292 G HN 0.278 nan 8.290 nan 0.000 0.513 293 Q N 0.400 120.162 119.800 -0.064 0.000 2.230 293 Q HA 0.546 4.886 4.340 -0.000 0.000 0.248 293 Q C 0.608 176.527 176.000 -0.134 0.000 0.915 293 Q CA -0.440 55.307 55.803 -0.094 0.000 0.900 293 Q CB 1.639 30.329 28.738 -0.080 0.000 1.229 293 Q HN 0.331 nan 8.270 nan 0.000 0.439 294 I N 1.424 121.865 120.570 -0.215 0.000 2.472 294 I HA 0.234 4.404 4.170 -0.000 0.000 0.290 294 I C 0.804 176.799 176.117 -0.204 0.000 1.016 294 I CA 0.011 61.150 61.300 -0.269 0.000 1.348 294 I CB 0.519 38.192 38.000 -0.544 0.000 1.417 294 I HN 0.532 nan 8.210 nan 0.000 0.521 295 E N 3.368 123.468 120.200 -0.166 0.000 2.370 295 E HA 0.495 4.845 4.350 -0.000 0.000 0.259 295 E C -0.860 175.663 176.600 -0.128 0.000 0.947 295 E CA -0.848 55.475 56.400 -0.127 0.000 0.809 295 E CB 1.704 31.344 29.700 -0.101 0.000 1.300 295 E HN 0.477 nan 8.360 nan 0.000 0.419 296 E N 0.179 120.322 120.200 -0.094 0.000 2.250 296 E HA 0.372 4.722 4.350 -0.000 0.000 0.265 296 E C -0.974 175.582 176.600 -0.073 0.000 1.033 296 E CA -0.442 55.910 56.400 -0.081 0.000 0.888 296 E CB 1.710 31.386 29.700 -0.040 0.000 1.151 296 E HN 0.102 nan 8.360 nan 0.000 0.412 297 S N 0.696 116.355 115.700 -0.069 0.000 2.525 297 S HA 0.264 4.734 4.470 -0.000 0.000 0.290 297 S C -1.419 173.162 174.600 -0.032 0.000 1.152 297 S CA -0.494 57.669 58.200 -0.061 0.000 1.072 297 S CB 0.417 63.575 63.200 -0.070 0.000 1.027 297 S HN 0.380 nan 8.310 nan 0.000 0.500 298 Y N 2.506 122.756 120.300 -0.083 0.000 2.341 298 Y HA 0.662 5.212 4.550 -0.000 0.000 0.337 298 Y C -0.122 175.736 175.900 -0.070 0.000 1.014 298 Y CA -0.256 57.798 58.100 -0.076 0.000 1.111 298 Y CB 1.197 39.608 38.460 -0.083 0.000 1.194 298 Y HN 0.570 nan 8.280 nan 0.000 0.462 299 S N 5.527 120.287 115.700 -1.568 0.000 2.550 299 S HA 0.300 4.770 4.470 -0.000 0.000 0.270 299 S C 0.265 174.258 174.600 -1.012 0.000 1.145 299 S CA -0.712 56.770 58.200 -1.197 0.000 0.852 299 S CB 1.020 63.931 63.200 -0.482 0.000 1.119 299 S HN 0.961 nan 8.310 nan 0.000 0.465 300 I N 2.976 123.265 120.570 -0.469 0.000 2.454 300 I HA 0.007 4.177 4.170 -0.000 0.000 0.254 300 I C 0.829 176.893 176.117 -0.089 0.000 1.156 300 I CA 1.173 62.397 61.300 -0.128 0.000 1.433 300 I CB -0.097 37.905 38.000 0.004 0.000 1.082 300 I HN 0.662 nan 8.210 nan 0.000 0.432 301 S N 0.676 116.330 115.700 -0.076 0.000 2.439 301 S HA 0.474 4.944 4.470 -0.000 0.000 0.282 301 S C 1.118 175.667 174.600 -0.086 0.000 1.170 301 S CA -0.185 57.997 58.200 -0.031 0.000 1.054 301 S CB 1.568 64.805 63.200 0.062 0.000 0.956 301 S HN 0.337 nan 8.310 nan 0.000 0.490 302 A N 4.234 127.027 122.820 -0.046 0.000 1.972 302 A HA 0.123 4.443 4.320 -0.000 0.000 0.219 302 A C 2.095 179.660 177.584 -0.031 0.000 1.169 302 A CA 1.430 53.444 52.037 -0.038 0.000 0.635 302 A CB -1.363 17.636 19.000 -0.001 0.000 0.810 302 A HN 1.104 nan 8.150 nan 0.000 0.446 303 G N -0.772 108.017 108.800 -0.018 0.000 2.598 303 G HA2 0.085 4.045 3.960 -0.000 0.000 0.215 303 G HA3 0.085 4.045 3.960 -0.000 0.000 0.215 303 G C 0.967 175.855 174.900 -0.021 0.000 1.131 303 G CA 0.416 45.511 45.100 -0.008 0.000 0.785 303 G HN 0.450 nan 8.290 nan 0.000 0.539 304 L N 1.723 122.904 121.223 -0.070 0.000 2.851 304 L HA 0.173 4.512 4.340 -0.000 0.000 0.237 304 L C 1.101 177.933 176.870 -0.064 0.000 1.257 304 L CA -0.110 54.675 54.840 -0.091 0.000 1.061 304 L CB 0.230 42.159 42.059 -0.217 0.000 1.372 304 L HN 0.199 nan 8.230 nan 0.000 0.493 305 D N -0.580 119.807 120.400 -0.021 0.000 2.349 305 D HA -0.136 4.504 4.640 -0.000 0.000 0.215 305 D C 0.669 176.990 176.300 0.035 0.000 1.016 305 D CA -0.329 53.659 54.000 -0.019 0.000 0.870 305 D CB -0.008 40.781 40.800 -0.017 0.000 0.917 305 D HN 0.130 nan 8.370 nan 0.000 0.524 306 F N 3.222 123.126 119.950 -0.078 0.000 2.541 306 F HA 0.222 4.749 4.527 -0.000 0.000 0.378 306 F C -1.697 174.074 175.800 -0.048 0.000 1.068 306 F CA -2.408 55.546 58.000 -0.076 0.000 1.199 306 F CB 1.031 39.984 39.000 -0.077 0.000 1.091 306 F HN -0.211 nan 8.300 nan 0.000 0.555 307 P HA 0.041 nan 4.420 nan 0.000 0.255 307 P C -0.208 176.877 177.300 -0.357 0.000 1.357 307 P CA 0.435 63.323 63.100 -0.353 0.000 0.839 307 P CB 0.453 31.992 31.700 -0.268 0.000 1.356 308 S N -1.388 113.981 115.700 -0.551 0.000 3.331 308 S HA 0.695 5.164 4.470 -0.000 0.000 0.316 308 S C -1.288 173.372 174.600 0.101 0.000 1.104 308 S CA -0.558 57.529 58.200 -0.188 0.000 0.977 308 S CB 1.252 64.350 63.200 -0.171 0.000 1.370 308 S HN -0.098 nan 8.310 nan 0.000 0.731 309 V N 0.191 120.248 119.914 0.238 0.000 3.147 309 V HA 0.691 4.811 4.120 -0.000 0.000 0.299 309 V C 0.018 176.238 176.094 0.211 0.000 1.302 309 V CA 0.027 62.458 62.300 0.219 0.000 1.015 309 V CB 1.268 33.092 31.823 0.002 0.000 1.086 309 V HN 1.193 nan 8.190 nan 0.000 0.437 310 G N 4.499 113.403 108.800 0.173 0.000 2.414 310 G HA2 0.337 4.297 3.960 -0.000 0.000 0.236 310 G HA3 0.337 4.297 3.960 -0.000 0.000 0.236 310 G C -1.317 173.584 174.900 0.003 0.000 1.293 310 G CA -0.038 45.122 45.100 0.101 0.000 0.869 310 G HN 0.711 nan 8.290 nan 0.000 0.556 311 P HA -0.130 nan 4.420 nan 0.000 0.223 311 P C 1.357 178.542 177.300 -0.191 0.000 1.151 311 P CA 0.901 64.010 63.100 0.015 0.000 0.787 311 P CB 0.293 32.168 31.700 0.291 0.000 0.788 312 Q N -0.888 118.523 119.800 -0.647 0.000 2.167 312 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 312 Q C 2.210 178.024 176.000 -0.310 0.000 0.970 312 Q CA 1.168 56.447 55.803 -0.873 0.000 0.855 312 Q CB -0.289 27.711 28.738 -1.229 0.000 0.911 312 Q HN 0.357 nan 8.270 nan 0.000 0.438 313 H N -0.688 118.278 119.070 -0.172 0.000 2.326 313 H HA -0.034 4.522 4.556 -0.000 0.000 0.301 313 H C 1.962 177.086 175.328 -0.339 0.000 1.081 313 H CA 1.380 57.341 56.048 -0.145 0.000 1.334 313 H CB -0.178 29.445 29.762 -0.233 0.000 1.385 313 H HN 0.429 nan 8.280 nan 0.000 0.504 314 A N 0.860 123.467 122.820 -0.354 0.000 1.933 314 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 314 A C 2.287 179.604 177.584 -0.444 0.000 1.175 314 A CA 1.552 53.172 52.037 -0.696 0.000 0.628 314 A CB -0.908 17.292 19.000 -1.334 0.000 0.814 314 A HN 0.480 nan 8.150 nan 0.000 0.444 315 Y N 0.288 120.489 120.300 -0.165 0.000 2.220 315 Y HA -0.044 4.506 4.550 -0.000 0.000 0.291 315 Y C 1.846 177.846 175.900 0.167 0.000 1.129 315 Y CA 1.583 59.827 58.100 0.241 0.000 1.161 315 Y CB -0.313 38.385 38.460 0.396 0.000 0.997 315 Y HN 0.190 nan 8.280 nan 0.000 0.522 316 L N 0.320 121.546 121.223 0.005 0.000 2.141 316 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 316 L C 2.229 179.125 176.870 0.043 0.000 1.094 316 L CA 1.486 56.299 54.840 -0.046 0.000 0.763 316 L CB -0.619 41.540 42.059 0.168 0.000 0.908 316 L HN 0.283 nan 8.230 nan 0.000 0.437 317 N N 0.062 118.842 118.700 0.132 0.000 2.106 317 N HA -0.198 4.541 4.740 -0.000 0.000 0.188 317 N C 2.021 177.553 175.510 0.036 0.000 1.029 317 N CA 1.752 54.895 53.050 0.156 0.000 0.848 317 N CB -0.055 38.433 38.487 0.002 0.000 1.007 317 N HN 0.299 nan 8.380 nan 0.000 0.423 318 S N 0.419 116.127 115.700 0.013 0.000 2.399 318 S HA -0.141 4.329 4.470 -0.000 0.000 0.231 318 S C 1.972 176.564 174.600 -0.013 0.000 1.022 318 S CA 1.173 59.415 58.200 0.070 0.000 0.983 318 S CB -0.926 62.419 63.200 0.241 0.000 0.803 318 S HN 0.608 nan 8.310 nan 0.000 0.480 319 I N -2.041 118.447 120.570 -0.136 0.000 3.793 319 I HA 0.497 4.667 4.170 -0.000 0.000 0.315 319 I C 1.384 177.455 176.117 -0.077 0.000 1.275 319 I CA 0.235 61.455 61.300 -0.134 0.000 1.214 319 I CB -0.802 37.029 38.000 -0.282 0.000 1.018 319 I HN 0.376 nan 8.210 nan 0.000 0.439 320 G N 2.667 111.437 108.800 -0.051 0.000 2.160 320 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.251 320 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.251 320 G C 0.881 175.752 174.900 -0.048 0.000 1.008 320 G CA 0.623 45.706 45.100 -0.029 0.000 0.724 320 G HN 0.528 nan 8.290 nan 0.000 0.514 321 R N 0.244 120.705 120.500 -0.065 0.000 2.223 321 R HA 0.637 4.977 4.340 -0.000 0.000 0.198 321 R C 1.252 177.479 176.300 -0.122 0.000 0.984 321 R CA 1.763 57.818 56.100 -0.075 0.000 1.018 321 R CB -0.068 30.194 30.300 -0.063 0.000 0.945 321 R HN 1.081 nan 8.270 nan 0.000 0.479 322 A N -0.260 122.507 122.820 -0.089 0.000 2.384 322 A HA 0.623 4.943 4.320 -0.000 0.000 0.312 322 A C -1.477 175.968 177.584 -0.231 0.000 1.113 322 A CA -0.874 51.014 52.037 -0.249 0.000 0.779 322 A CB 1.198 20.049 19.000 -0.249 0.000 1.307 322 A HN 0.247 nan 8.150 nan 0.000 0.436 323 D N -0.029 120.128 120.400 -0.404 0.000 2.252 323 D HA 0.542 5.182 4.640 -0.000 0.000 0.245 323 D C -1.564 174.397 176.300 -0.564 0.000 1.009 323 D CA 0.391 54.222 54.000 -0.281 0.000 0.870 323 D CB 1.524 42.219 40.800 -0.176 0.000 1.251 323 D HN 0.408 nan 8.370 nan 0.000 0.460 324 Y N -0.093 120.171 120.300 -0.060 0.000 2.409 324 Y HA 0.447 4.997 4.550 -0.000 0.000 0.343 324 Y C 0.458 176.299 175.900 -0.098 0.000 0.973 324 Y CA -0.850 57.207 58.100 -0.072 0.000 1.064 324 Y CB 1.870 40.296 38.460 -0.057 0.000 1.207 324 Y HN 0.120 nan 8.280 nan 0.000 0.452 325 V N -1.075 118.824 119.914 -0.025 0.000 3.156 325 V HA 0.930 5.050 4.120 -0.000 0.000 0.310 325 V C -0.474 175.623 176.094 0.005 0.000 1.234 325 V CA -1.109 61.161 62.300 -0.050 0.000 1.065 325 V CB 1.598 33.268 31.823 -0.255 0.000 1.088 325 V HN 0.731 nan 8.190 nan 0.000 0.451 326 S N 0.503 116.231 115.700 0.047 0.000 2.638 326 S HA 0.896 5.366 4.470 -0.000 0.000 0.302 326 S C -1.057 173.610 174.600 0.112 0.000 1.096 326 S CA -0.759 57.487 58.200 0.078 0.000 0.953 326 S CB 1.997 65.242 63.200 0.076 0.000 1.107 326 S HN 0.853 nan 8.310 nan 0.000 0.503 327 I N 2.074 122.742 120.570 0.162 0.000 2.656 327 I HA 0.392 4.561 4.170 -0.000 0.000 0.292 327 I C 0.472 176.687 176.117 0.163 0.000 1.144 327 I CA -0.174 61.223 61.300 0.161 0.000 1.038 327 I CB 2.227 40.337 38.000 0.183 0.000 1.244 327 I HN 1.089 nan 8.210 nan 0.000 0.420 328 T N 0.400 115.005 114.554 0.085 0.000 2.849 328 T HA 0.286 4.635 4.350 -0.000 0.000 0.276 328 T C 0.835 175.552 174.700 0.028 0.000 0.971 328 T CA -0.462 61.694 62.100 0.092 0.000 0.949 328 T CB 1.288 70.204 68.868 0.081 0.000 1.093 328 T HN 0.432 nan 8.240 nan 0.000 0.545 329 D N 0.428 120.872 120.400 0.073 0.000 2.116 329 D HA -0.098 4.542 4.640 -0.000 0.000 0.193 329 D C 1.623 177.920 176.300 -0.006 0.000 0.998 329 D CA 1.385 55.407 54.000 0.037 0.000 0.836 329 D CB -0.313 40.548 40.800 0.102 0.000 0.951 329 D HN 0.581 nan 8.370 nan 0.000 0.449 330 D N 0.114 120.534 120.400 0.034 0.000 2.234 330 D HA -0.050 4.590 4.640 -0.000 0.000 0.205 330 D C 1.891 178.188 176.300 -0.004 0.000 0.962 330 D CA 0.395 54.407 54.000 0.020 0.000 0.855 330 D CB -0.072 40.754 40.800 0.042 0.000 0.951 330 D HN 0.365 nan 8.370 nan 0.000 0.500 331 E N 0.648 120.838 120.200 -0.017 0.000 2.051 331 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 331 E C 2.072 178.627 176.600 -0.074 0.000 0.991 331 E CA 1.050 57.434 56.400 -0.028 0.000 0.799 331 E CB 0.009 29.704 29.700 -0.008 0.000 0.748 331 E HN 0.175 nan 8.360 nan 0.000 0.449 332 A N 1.083 123.793 122.820 -0.182 0.000 1.873 332 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 332 A C 2.198 179.736 177.584 -0.076 0.000 1.186 332 A CA 1.035 52.910 52.037 -0.270 0.000 0.616 332 A CB -0.658 17.883 19.000 -0.766 0.000 0.823 332 A HN 0.123 nan 8.150 nan 0.000 0.442 333 L N -0.528 120.658 121.223 -0.062 0.000 2.046 333 L HA -0.192 4.147 4.340 -0.000 0.000 0.208 333 L C 2.738 179.655 176.870 0.078 0.000 1.077 333 L CA 1.589 56.424 54.840 -0.008 0.000 0.747 333 L CB -0.475 41.565 42.059 -0.032 0.000 0.896 333 L HN 0.477 nan 8.230 nan 0.000 0.432 334 E N 0.765 120.995 120.200 0.050 0.000 2.118 334 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 334 E C 2.085 178.738 176.600 0.088 0.000 0.992 334 E CA 1.601 58.041 56.400 0.067 0.000 0.804 334 E CB 0.113 29.836 29.700 0.037 0.000 0.741 334 E HN 0.457 nan 8.360 nan 0.000 0.458 335 A N 0.093 122.957 122.820 0.073 0.000 1.970 335 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 335 A C 2.038 179.688 177.584 0.111 0.000 1.170 335 A CA 0.829 52.906 52.037 0.066 0.000 0.645 335 A CB -0.774 18.248 19.000 0.037 0.000 0.816 335 A HN 0.382 nan 8.150 nan 0.000 0.447 336 F N 0.934 120.882 119.950 -0.004 0.000 2.134 336 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 336 F C 2.066 177.877 175.800 0.018 0.000 1.097 336 F CA 2.072 60.077 58.000 0.008 0.000 1.264 336 F CB -0.094 38.909 39.000 0.005 0.000 1.001 336 F HN 0.105 nan 8.300 nan 0.000 0.479 337 K N -0.631 119.981 120.400 0.354 0.000 2.097 337 K HA -0.116 4.203 4.320 -0.000 0.000 0.205 337 K C 2.015 178.669 176.600 0.090 0.000 1.050 337 K CA 1.779 58.194 56.287 0.213 0.000 0.938 337 K CB -0.520 32.087 32.500 0.179 0.000 0.718 337 K HN 0.204 nan 8.250 nan 0.000 0.442 338 T N 1.679 116.298 114.554 0.108 0.000 2.746 338 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 338 T C 1.701 176.481 174.700 0.133 0.000 1.039 338 T CA 0.971 63.176 62.100 0.174 0.000 1.142 338 T CB -0.130 68.810 68.868 0.119 0.000 0.866 338 T HN 0.071 nan 8.240 nan 0.000 0.444 339 L N 0.525 121.758 121.223 0.018 0.000 2.056 339 L HA -0.008 4.331 4.340 -0.000 0.000 0.207 339 L C 2.512 179.326 176.870 -0.092 0.000 1.078 339 L CA 1.472 56.291 54.840 -0.035 0.000 0.749 339 L CB -0.656 41.346 42.059 -0.095 0.000 0.901 339 L HN 0.306 nan 8.230 nan 0.000 0.433 340 C N -0.590 118.607 119.300 -0.171 0.000 2.429 340 C HA -0.133 4.326 4.460 -0.000 0.000 0.277 340 C C 2.868 177.783 174.990 -0.125 0.000 1.262 340 C CA 1.160 60.072 59.018 -0.178 0.000 1.733 340 C CB -1.030 26.599 27.740 -0.185 0.000 2.010 340 C HN 0.616 nan 8.230 nan 0.000 0.483 341 R N -0.309 120.111 120.500 -0.134 0.000 2.210 341 R HA 0.041 4.381 4.340 -0.000 0.000 0.203 341 R C 1.770 177.833 176.300 -0.395 0.000 1.010 341 R CA 1.474 57.421 56.100 -0.255 0.000 1.008 341 R CB -0.674 29.429 30.300 -0.329 0.000 0.923 341 R HN 0.608 nan 8.270 nan 0.000 0.469 342 H N -0.730 118.316 119.070 -0.040 0.000 2.740 342 H HA 0.294 4.850 4.556 -0.000 0.000 0.265 342 H C 0.323 175.624 175.328 -0.046 0.000 0.978 342 H CA 0.290 56.315 56.048 -0.038 0.000 1.198 342 H CB 1.087 30.827 29.762 -0.037 0.000 1.467 342 H HN 0.220 nan 8.280 nan 0.000 0.511 343 E N -0.532 119.682 120.200 0.024 0.000 2.665 343 E HA 0.135 4.485 4.350 -0.000 0.000 0.225 343 E C 1.068 177.647 176.600 -0.035 0.000 0.922 343 E CA 0.465 56.863 56.400 -0.003 0.000 1.242 343 E CB 1.383 31.077 29.700 -0.009 0.000 1.197 343 E HN 0.438 nan 8.360 nan 0.000 0.581 344 G N 2.306 111.072 108.800 -0.056 0.000 2.176 344 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.252 344 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.252 344 G C 0.205 175.063 174.900 -0.071 0.000 1.024 344 G CA 0.599 45.661 45.100 -0.063 0.000 0.755 344 G HN 0.234 nan 8.290 nan 0.000 0.507 345 I N 0.549 121.065 120.570 -0.091 0.000 2.410 345 I HA 0.432 4.602 4.170 -0.000 0.000 0.286 345 I C 0.330 176.342 176.117 -0.175 0.000 1.009 345 I CA -1.021 60.218 61.300 -0.100 0.000 1.111 345 I CB 1.615 39.572 38.000 -0.071 0.000 1.262 345 I HN -0.062 nan 8.210 nan 0.000 0.443 346 I N 8.467 128.926 120.570 -0.185 0.000 2.297 346 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 346 I C -2.174 173.789 176.117 -0.256 0.000 1.033 346 I CA -1.660 59.437 61.300 -0.337 0.000 1.253 346 I CB 0.985 38.852 38.000 -0.221 0.000 1.396 346 I HN 0.273 nan 8.210 nan 0.000 0.476 347 P HA 0.319 nan 4.420 nan 0.000 0.287 347 P C -0.625 176.718 177.300 0.073 0.000 1.270 347 P CA -0.478 62.564 63.100 -0.096 0.000 0.844 347 P CB 1.601 33.255 31.700 -0.077 0.000 1.068 348 A N 2.385 125.275 122.820 0.117 0.000 2.466 348 A HA 0.094 4.414 4.320 -0.000 0.000 0.238 348 A C 1.554 179.291 177.584 0.255 0.000 1.074 348 A CA -0.191 51.957 52.037 0.185 0.000 0.774 348 A CB -0.653 18.421 19.000 0.124 0.000 1.015 348 A HN 0.663 nan 8.150 nan 0.000 0.498 349 L N 0.410 121.781 121.223 0.246 0.000 2.291 349 L HA -0.120 4.220 4.340 -0.000 0.000 0.214 349 L C 2.153 179.182 176.870 0.265 0.000 1.120 349 L CA 1.033 56.010 54.840 0.229 0.000 0.799 349 L CB -0.299 41.821 42.059 0.100 0.000 0.925 349 L HN 0.865 nan 8.230 nan 0.000 0.446 350 E N -0.268 120.044 120.200 0.187 0.000 2.031 350 E HA -0.174 4.175 4.350 -0.000 0.000 0.193 350 E C 2.277 178.990 176.600 0.187 0.000 0.994 350 E CA 1.627 58.112 56.400 0.142 0.000 0.800 350 E CB -0.246 29.491 29.700 0.062 0.000 0.752 350 E HN 0.261 nan 8.360 nan 0.000 0.447 351 S N 0.501 116.286 115.700 0.142 0.000 2.383 351 S HA -0.164 4.305 4.470 -0.000 0.000 0.229 351 S C 2.087 176.769 174.600 0.137 0.000 1.030 351 S CA 1.150 59.416 58.200 0.109 0.000 1.002 351 S CB -0.355 62.894 63.200 0.082 0.000 0.829 351 S HN 0.126 nan 8.310 nan 0.000 0.467 352 S N 0.889 116.692 115.700 0.171 0.000 2.400 352 S HA -0.154 4.315 4.470 -0.000 0.000 0.232 352 S C 1.603 176.249 174.600 0.078 0.000 1.025 352 S CA 1.325 59.602 58.200 0.128 0.000 0.993 352 S CB -0.384 62.920 63.200 0.174 0.000 0.808 352 S HN 0.603 nan 8.310 nan 0.000 0.478 353 H N 1.523 120.633 119.070 0.066 0.000 2.321 353 H HA 0.066 4.622 4.556 -0.000 0.000 0.300 353 H C 2.388 177.759 175.328 0.071 0.000 1.087 353 H CA 1.411 57.494 56.048 0.058 0.000 1.319 353 H CB -0.636 29.146 29.762 0.034 0.000 1.379 353 H HN 0.406 nan 8.280 nan 0.000 0.501 354 A N 0.677 123.606 122.820 0.181 0.000 1.892 354 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 354 A C 2.308 179.960 177.584 0.114 0.000 1.188 354 A CA 1.837 53.951 52.037 0.128 0.000 0.631 354 A CB -0.871 18.176 19.000 0.079 0.000 0.822 354 A HN 0.351 nan 8.150 nan 0.000 0.447 355 L N -0.396 120.877 121.223 0.085 0.000 2.093 355 L HA -0.002 4.337 4.340 -0.000 0.000 0.208 355 L C 2.661 179.556 176.870 0.043 0.000 1.085 355 L CA 2.061 56.933 54.840 0.052 0.000 0.755 355 L CB -0.858 41.224 42.059 0.038 0.000 0.904 355 L HN 0.355 nan 8.230 nan 0.000 0.435 356 A N -1.156 121.695 122.820 0.051 0.000 1.908 356 A HA -0.332 3.988 4.320 -0.000 0.000 0.218 356 A C 2.310 179.913 177.584 0.032 0.000 1.181 356 A CA 1.986 54.040 52.037 0.028 0.000 0.627 356 A CB -1.078 17.924 19.000 0.003 0.000 0.818 356 A HN 0.722 nan 8.150 nan 0.000 0.445 357 H N -0.246 118.836 119.070 0.019 0.000 2.389 357 H HA 0.130 4.686 4.556 -0.000 0.000 0.299 357 H C 2.121 177.452 175.328 0.005 0.000 1.081 357 H CA 1.635 57.693 56.048 0.017 0.000 1.345 357 H CB -0.256 29.522 29.762 0.027 0.000 1.393 357 H HN 0.381 nan 8.280 nan 0.000 0.520 358 A N 0.498 123.293 122.820 -0.042 0.000 1.933 358 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 358 A C 2.447 179.962 177.584 -0.116 0.000 1.175 358 A CA 1.475 53.465 52.037 -0.079 0.000 0.628 358 A CB -0.790 18.209 19.000 -0.002 0.000 0.814 358 A HN 0.490 nan 8.150 nan 0.000 0.444 359 L N -1.148 120.022 121.223 -0.089 0.000 2.109 359 L HA -0.121 4.218 4.340 -0.000 0.000 0.207 359 L C 2.593 179.397 176.870 -0.109 0.000 1.086 359 L CA 1.628 56.421 54.840 -0.079 0.000 0.760 359 L CB -0.323 41.705 42.059 -0.051 0.000 0.910 359 L HN 0.389 nan 8.230 nan 0.000 0.437 360 K N 0.033 120.341 120.400 -0.154 0.000 2.155 360 K HA -0.111 4.209 4.320 -0.000 0.000 0.203 360 K C 2.193 178.677 176.600 -0.194 0.000 1.052 360 K CA 1.064 57.254 56.287 -0.161 0.000 0.948 360 K CB 0.053 32.428 32.500 -0.209 0.000 0.728 360 K HN 0.185 nan 8.250 nan 0.000 0.448 361 M N 0.152 119.584 119.600 -0.279 0.000 2.117 361 M HA -0.181 4.299 4.480 -0.000 0.000 0.262 361 M C 2.347 178.578 176.300 -0.115 0.000 1.065 361 M CA 1.566 56.744 55.300 -0.203 0.000 1.114 361 M CB -0.136 32.350 32.600 -0.191 0.000 1.361 361 M HN 0.281 nan 8.290 nan 0.000 0.408 362 M N -0.022 119.516 119.600 -0.104 0.000 2.123 362 M HA -0.178 4.302 4.480 -0.000 0.000 0.263 362 M C 2.072 178.332 176.300 -0.067 0.000 1.069 362 M CA 1.810 57.065 55.300 -0.075 0.000 1.133 362 M CB -0.066 32.490 32.600 -0.073 0.000 1.356 362 M HN 0.063 nan 8.290 nan 0.000 0.415 363 R N -0.015 120.442 120.500 -0.072 0.000 2.115 363 R HA -0.081 4.259 4.340 -0.000 0.000 0.226 363 R C 1.916 178.187 176.300 -0.048 0.000 1.100 363 R CA 1.555 57.621 56.100 -0.057 0.000 0.980 363 R CB -0.243 30.025 30.300 -0.054 0.000 0.875 363 R HN 0.545 nan 8.270 nan 0.000 0.445 364 E N 0.396 120.564 120.200 -0.053 0.000 2.208 364 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 364 E C 0.126 176.706 176.600 -0.033 0.000 0.988 364 E CA 0.798 57.174 56.400 -0.039 0.000 0.828 364 E CB 0.300 29.976 29.700 -0.040 0.000 0.763 364 E HN 0.334 nan 8.360 nan 0.000 0.478 365 Q N -0.151 119.627 119.800 -0.038 0.000 3.484 365 Q HA 0.121 4.460 4.340 -0.000 0.000 0.255 365 Q C -2.217 173.764 176.000 -0.033 0.000 0.909 365 Q CA -1.111 54.673 55.803 -0.031 0.000 0.774 365 Q CB 1.429 30.150 28.738 -0.028 0.000 1.431 365 Q HN 0.072 nan 8.270 nan 0.000 0.423 366 P HA -0.093 nan 4.420 nan 0.000 0.233 366 P C 0.274 177.557 177.300 -0.029 0.000 1.167 366 P CA 0.881 63.961 63.100 -0.034 0.000 0.770 366 P CB 0.517 32.196 31.700 -0.034 0.000 0.837 367 E N -0.262 119.924 120.200 -0.024 0.000 2.419 367 E HA 0.097 4.447 4.350 -0.000 0.000 0.190 367 E C 0.500 177.089 176.600 -0.019 0.000 1.040 367 E CA -0.121 56.267 56.400 -0.020 0.000 0.900 367 E CB -0.185 29.504 29.700 -0.017 0.000 1.054 367 E HN 0.173 nan 8.360 nan 0.000 0.462 368 K N 1.593 121.980 120.400 -0.021 0.000 2.297 368 K HA 0.071 4.391 4.320 -0.000 0.000 0.286 368 K C -0.319 176.269 176.600 -0.019 0.000 1.053 368 K CA -0.280 55.996 56.287 -0.019 0.000 0.940 368 K CB 0.599 33.086 32.500 -0.023 0.000 1.019 368 K HN -0.027 nan 8.250 nan 0.000 0.475 369 E N 4.562 124.754 120.200 -0.014 0.000 2.299 369 E HA -0.047 4.303 4.350 -0.000 0.000 0.272 369 E C -1.151 175.442 176.600 -0.011 0.000 1.043 369 E CA 0.088 56.481 56.400 -0.011 0.000 0.895 369 E CB 0.478 30.174 29.700 -0.007 0.000 1.011 369 E HN 0.579 nan 8.360 nan 0.000 0.432 370 Q N 3.542 123.336 119.800 -0.011 0.000 2.386 370 Q HA 0.368 4.708 4.340 -0.000 0.000 0.274 370 Q C -1.655 174.346 176.000 0.002 0.000 1.011 370 Q CA -1.066 54.731 55.803 -0.010 0.000 0.867 370 Q CB 1.124 29.850 28.738 -0.020 0.000 1.409 370 Q HN 0.453 nan 8.270 nan 0.000 0.395 371 L N 3.317 124.545 121.223 0.008 0.000 2.295 371 L HA 0.534 4.874 4.340 -0.000 0.000 0.281 371 L C -1.877 175.012 176.870 0.031 0.000 1.018 371 L CA -0.308 54.558 54.840 0.044 0.000 0.841 371 L CB 0.945 43.033 42.059 0.047 0.000 1.218 371 L HN 0.713 nan 8.230 nan 0.000 0.424 372 L N 5.435 126.688 121.223 0.051 0.000 2.334 372 L HA 0.707 5.047 4.340 -0.000 0.000 0.276 372 L C -0.718 176.199 176.870 0.079 0.000 1.014 372 L CA -1.053 53.803 54.840 0.027 0.000 0.815 372 L CB 2.125 44.191 42.059 0.012 0.000 1.268 372 L HN 0.240 nan 8.230 nan 0.000 0.428 373 V N 3.076 123.009 119.914 0.032 0.000 2.448 373 V HA 0.398 4.518 4.120 -0.000 0.000 0.295 373 V C -0.158 175.969 176.094 0.055 0.000 1.025 373 V CA -0.625 61.717 62.300 0.071 0.000 0.859 373 V CB 2.425 34.255 31.823 0.011 0.000 0.988 373 V HN 0.418 nan 8.190 nan 0.000 0.431 374 V N 4.731 124.686 119.914 0.069 0.000 2.427 374 V HA 0.302 4.422 4.120 -0.000 0.000 0.286 374 V C 0.444 176.573 176.094 0.057 0.000 1.034 374 V CA -0.593 61.743 62.300 0.060 0.000 0.893 374 V CB 1.579 33.434 31.823 0.053 0.000 0.982 374 V HN 0.916 nan 8.190 nan 0.000 0.452 375 N N 3.840 122.566 118.700 0.044 0.000 2.405 375 N HA 0.186 4.925 4.740 -0.000 0.000 0.260 375 N C -0.623 174.896 175.510 0.015 0.000 1.152 375 N CA -0.631 52.433 53.050 0.023 0.000 0.948 375 N CB 0.580 39.053 38.487 -0.023 0.000 1.111 375 N HN 0.521 nan 8.380 nan 0.000 0.485 376 L N 4.687 125.928 121.223 0.030 0.000 2.328 376 L HA 0.116 4.456 4.340 -0.000 0.000 0.280 376 L C 1.508 178.399 176.870 0.036 0.000 1.111 376 L CA 0.052 54.910 54.840 0.031 0.000 0.909 376 L CB 0.427 42.504 42.059 0.030 0.000 1.277 376 L HN 0.590 nan 8.230 nan 0.000 0.433 377 S N 1.476 117.190 115.700 0.023 0.000 2.447 377 S HA 0.231 4.701 4.470 -0.000 0.000 0.233 377 S C 0.850 175.540 174.600 0.150 0.000 1.006 377 S CA 0.385 58.612 58.200 0.044 0.000 0.957 377 S CB -0.170 62.981 63.200 -0.082 0.000 0.773 377 S HN 0.670 nan 8.310 nan 0.000 0.507 378 G N 0.685 109.546 108.800 0.102 0.000 2.600 378 G HA2 0.563 4.523 3.960 -0.000 0.000 0.293 378 G HA3 0.563 4.523 3.960 -0.000 0.000 0.293 378 G C -1.327 173.607 174.900 0.058 0.000 1.408 378 G CA -1.230 43.923 45.100 0.089 0.000 0.782 378 G HN 0.490 nan 8.290 nan 0.000 0.482 379 R N -1.489 119.035 120.500 0.040 0.000 2.553 379 R HA 0.706 5.046 4.340 -0.000 0.000 0.263 379 R C 0.537 176.867 176.300 0.050 0.000 1.066 379 R CA -0.114 56.002 56.100 0.026 0.000 1.135 379 R CB 1.492 31.795 30.300 0.004 0.000 1.148 379 R HN 0.762 nan 8.270 nan 0.000 0.558 380 G N -0.245 108.584 108.800 0.049 0.000 3.651 380 G HA2 0.005 3.965 3.960 -0.000 0.000 0.279 380 G HA3 0.005 3.965 3.960 -0.000 0.000 0.279 380 G C 0.226 175.208 174.900 0.136 0.000 1.024 380 G CA -0.303 44.888 45.100 0.152 0.000 0.813 380 G HN 0.706 nan 8.290 nan 0.000 0.518 381 D N 2.071 122.494 120.400 0.037 0.000 2.172 381 D HA -0.196 4.443 4.640 -0.000 0.000 0.196 381 D C 2.347 178.610 176.300 -0.062 0.000 0.999 381 D CA 1.369 55.355 54.000 -0.023 0.000 0.856 381 D CB 0.123 40.898 40.800 -0.042 0.000 0.934 381 D HN 0.626 nan 8.370 nan 0.000 0.453 382 K N 0.546 120.935 120.400 -0.019 0.000 2.288 382 K HA -0.073 4.246 4.320 -0.000 0.000 0.201 382 K C 0.837 177.425 176.600 -0.019 0.000 1.048 382 K CA 0.986 57.256 56.287 -0.028 0.000 0.956 382 K CB 0.212 32.718 32.500 0.009 0.000 0.746 382 K HN -0.067 nan 8.250 nan 0.000 0.461 383 D N 1.684 122.097 120.400 0.021 0.000 2.339 383 D HA 0.036 4.676 4.640 -0.000 0.000 0.217 383 D C 1.798 178.068 176.300 -0.050 0.000 1.050 383 D CA 0.321 54.317 54.000 -0.006 0.000 0.856 383 D CB 0.133 40.937 40.800 0.006 0.000 0.922 383 D HN 0.497 nan 8.370 nan 0.000 0.518 384 I N -3.013 117.519 120.570 -0.063 0.000 2.676 384 I HA -0.102 4.067 4.170 -0.000 0.000 0.259 384 I C 1.511 177.671 176.117 0.072 0.000 1.194 384 I CA 0.878 62.169 61.300 -0.014 0.000 1.473 384 I CB -0.261 37.696 38.000 -0.072 0.000 1.096 384 I HN -0.266 nan 8.210 nan 0.000 0.443 385 F N 1.737 121.714 119.950 0.045 0.000 2.473 385 F HA 0.088 4.615 4.527 -0.000 0.000 0.294 385 F C 2.545 178.376 175.800 0.053 0.000 1.103 385 F CA 0.628 58.666 58.000 0.063 0.000 1.442 385 F CB -1.089 37.933 39.000 0.036 0.000 1.097 385 F HN 0.026 nan 8.300 nan 0.000 0.547 386 T N -0.351 114.333 114.554 0.218 0.000 2.777 386 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 386 T C 2.298 177.013 174.700 0.026 0.000 1.040 386 T CA 1.223 63.378 62.100 0.092 0.000 1.141 386 T CB -0.364 68.513 68.868 0.016 0.000 0.868 386 T HN -0.004 nan 8.240 nan 0.000 0.444 387 V N 0.823 120.696 119.914 -0.068 0.000 2.809 387 V HA -0.111 4.009 4.120 -0.000 0.000 0.256 387 V C 2.218 178.324 176.094 0.020 0.000 1.080 387 V CA 1.187 63.390 62.300 -0.163 0.000 1.102 387 V CB -0.616 30.959 31.823 -0.413 0.000 0.705 387 V HN 0.622 nan 8.190 nan 0.000 0.475 388 H N 0.574 119.674 119.070 0.050 0.000 2.299 388 H HA -0.138 4.418 4.556 -0.000 0.000 0.302 388 H C 1.998 177.360 175.328 0.058 0.000 1.078 388 H CA 1.968 58.075 56.048 0.098 0.000 1.323 388 H CB 0.193 30.070 29.762 0.192 0.000 1.381 388 H HN 0.400 nan 8.280 nan 0.000 0.498 389 D N 0.323 120.772 120.400 0.082 0.000 2.178 389 D HA -0.083 4.557 4.640 -0.000 0.000 0.202 389 D C 2.363 178.644 176.300 -0.031 0.000 0.974 389 D CA 0.488 54.493 54.000 0.008 0.000 0.841 389 D CB -0.120 40.709 40.800 0.049 0.000 0.953 389 D HN 0.404 nan 8.370 nan 0.000 0.478 390 I N 0.465 121.024 120.570 -0.018 0.000 2.193 390 I HA -0.140 4.030 4.170 -0.000 0.000 0.240 390 I C 1.415 177.506 176.117 -0.044 0.000 1.084 390 I CA 0.493 61.782 61.300 -0.019 0.000 1.365 390 I CB 0.019 38.012 38.000 -0.011 0.000 1.064 390 I HN -0.093 nan 8.210 nan 0.000 0.410 391 L N 0.000 121.184 121.223 -0.066 0.000 2.949 391 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 391 L CA 0.000 54.799 54.840 -0.069 0.000 0.813 391 L CB 0.000 42.017 42.059 -0.069 0.000 0.961 391 L HN 0.000 nan 8.230 nan 0.000 0.502