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 3mkt_1_B DATA FIRST_RESID 2 DATA SEQUENCE ENSVHRYKKE ASNLIKLATP VLIASVAQTG MGFVDTIMAG GVSAIDMAAV DATA SEQUENCE SIAASIWLPS ILFGVGLLMA LVPVVAQLNG AGRQHKIPFE VHQGLILALL DATA SEQUENCE VSVPIIAVLF QTQFIIRFMD VEEAMATKTV GYMHAVIFAV PAYLLFQALR DATA SEQUENCE SFTDGMSLTK PAMVIGFIGL LLNIPLNWIF VYGKFGAPEL GGVGCGVATA DATA SEQUENCE IVYWIMLLLL LFYIVTSKRL AHVKVFETFH KPQPKELIRL FRLGFPVAAA DATA SEQUENCE LFFEVTLFAV VALLVAPLGS TVVAAHQVAL NFSSLVFMFP MSIGAAVSIR DATA SEQUENCE VGHKLGEQDT KGAAIAANVG LMTGLATACI TALLTVLFRE QIALLYTENQ DATA SEQUENCE VVVALAMQLL LFAAIYQCMD AVQVVAAGSL RGYKDMTAIF HRTFISYWVL DATA SEQUENCE GLPTGYILGM TNWLTEQPLG AKGFWLGFII GLSAAALMLG QRLYWLQKQS DATA SEQUENCE DDVQLHLAAK 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 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.491 176.600 -0.181 0.000 1.382 2 E CA 0.000 56.248 56.400 -0.253 0.000 0.976 2 E CB 0.000 29.613 29.700 -0.144 0.000 0.812 3 N N 0.748 119.367 118.700 -0.135 0.000 2.442 3 N HA 0.315 5.055 4.740 -0.001 0.000 0.274 3 N C -0.111 175.353 175.510 -0.076 0.000 1.002 3 N CA 0.460 53.465 53.050 -0.076 0.000 0.910 3 N CB 1.701 40.173 38.487 -0.024 0.000 1.244 3 N HN 0.109 nan 8.380 nan 0.000 0.492 4 S N 0.686 116.323 115.700 -0.105 0.000 2.314 4 S HA -0.289 4.180 4.470 -0.001 0.000 0.232 4 S C 1.513 175.692 174.600 -0.701 0.000 1.223 4 S CA 2.031 60.130 58.200 -0.168 0.000 1.673 4 S CB -1.460 61.800 63.200 0.100 0.000 2.201 4 S HN 0.544 nan 8.310 nan 0.000 0.619 5 V N -0.758 118.846 119.914 -0.517 0.000 2.250 5 V HA -0.258 3.861 4.120 -0.001 0.000 0.250 5 V C 1.870 177.558 176.094 -0.677 0.000 1.060 5 V CA 2.659 64.549 62.300 -0.684 0.000 1.030 5 V CB -1.398 30.354 31.823 -0.119 0.000 0.643 5 V HN 0.832 nan 8.190 nan 0.000 0.445 6 H N -0.858 117.950 119.070 -0.437 0.000 2.548 6 H HA 0.145 4.700 4.556 -0.001 0.000 0.268 6 H C 2.440 177.601 175.328 -0.278 0.000 0.975 6 H CA 0.295 56.171 56.048 -0.287 0.000 1.195 6 H CB 0.333 30.004 29.762 -0.152 0.000 1.397 6 H HN 0.432 nan 8.280 nan 0.000 0.572 7 R N 0.688 121.044 120.500 -0.240 0.000 2.036 7 R HA -0.082 4.257 4.340 -0.001 0.000 0.216 7 R C 2.266 178.494 176.300 -0.119 0.000 1.241 7 R CA 1.184 57.204 56.100 -0.134 0.000 0.964 7 R CB -0.716 29.541 30.300 -0.072 0.000 0.828 7 R HN 0.341 nan 8.270 nan 0.000 0.468 8 Y N 1.668 121.992 120.300 0.041 0.000 2.219 8 Y HA -0.275 4.275 4.550 -0.001 0.000 0.283 8 Y C 1.964 177.878 175.900 0.023 0.000 1.191 8 Y CA 1.205 59.321 58.100 0.026 0.000 1.199 8 Y CB -0.819 37.654 38.460 0.023 0.000 0.972 8 Y HN 0.021 nan 8.280 nan 0.000 0.527 9 K N 0.583 121.013 120.400 0.050 0.000 1.969 9 K HA -0.229 4.090 4.320 -0.001 0.000 0.220 9 K C 2.295 178.917 176.600 0.037 0.000 1.040 9 K CA 1.669 58.019 56.287 0.104 0.000 0.981 9 K CB -0.281 32.191 32.500 -0.047 0.000 0.746 9 K HN 0.148 nan 8.250 nan 0.000 0.444 10 K N 1.138 121.522 120.400 -0.028 0.000 2.015 10 K HA -0.220 4.100 4.320 -0.001 0.000 0.216 10 K C 1.810 178.414 176.600 0.006 0.000 1.052 10 K CA 2.324 58.600 56.287 -0.018 0.000 0.937 10 K CB -0.309 32.175 32.500 -0.028 0.000 0.719 10 K HN 0.327 nan 8.250 nan 0.000 0.446 11 E N -0.269 119.940 120.200 0.014 0.000 2.082 11 E HA -0.353 3.997 4.350 -0.001 0.000 0.215 11 E C 1.959 178.576 176.600 0.027 0.000 1.048 11 E CA 1.680 58.096 56.400 0.026 0.000 0.869 11 E CB -0.499 29.229 29.700 0.046 0.000 0.773 11 E HN 0.456 nan 8.360 nan 0.000 0.466 12 A N 1.593 124.445 122.820 0.054 0.000 1.863 12 A HA -0.345 3.974 4.320 -0.001 0.000 0.218 12 A C 2.367 179.960 177.584 0.015 0.000 1.233 12 A CA 3.197 55.261 52.037 0.045 0.000 0.655 12 A CB -1.356 17.690 19.000 0.077 0.000 0.839 12 A HN 0.430 nan 8.150 nan 0.000 0.454 13 S N 0.352 116.059 115.700 0.013 0.000 2.534 13 S HA -0.304 4.165 4.470 -0.001 0.000 0.217 13 S C 1.688 176.276 174.600 -0.020 0.000 1.097 13 S CA 1.489 59.685 58.200 -0.006 0.000 1.288 13 S CB -1.468 61.727 63.200 -0.008 0.000 1.109 13 S HN 0.692 nan 8.310 nan 0.000 0.398 14 N N 2.424 121.111 118.700 -0.021 0.000 2.171 14 N HA -0.251 4.488 4.740 -0.001 0.000 0.200 14 N C 1.816 177.301 175.510 -0.042 0.000 0.991 14 N CA 2.016 55.047 53.050 -0.031 0.000 0.906 14 N CB -0.918 37.562 38.487 -0.012 0.000 1.060 14 N HN 0.639 nan 8.380 nan 0.000 0.510 15 L N 0.305 121.508 121.223 -0.032 0.000 1.915 15 L HA -0.122 4.218 4.340 -0.001 0.000 0.225 15 L C 2.275 179.102 176.870 -0.071 0.000 1.084 15 L CA 1.587 56.399 54.840 -0.047 0.000 0.788 15 L CB -1.378 40.663 42.059 -0.031 0.000 0.892 15 L HN 0.135 nan 8.230 nan 0.000 0.434 16 I N -0.865 119.667 120.570 -0.062 0.000 2.315 16 I HA -0.316 3.853 4.170 -0.001 0.000 0.251 16 I C 2.530 178.602 176.117 -0.077 0.000 1.125 16 I CA 1.524 62.779 61.300 -0.075 0.000 1.392 16 I CB -0.189 37.780 38.000 -0.052 0.000 1.065 16 I HN 0.508 nan 8.210 nan 0.000 0.424 17 K N 0.653 121.016 120.400 -0.062 0.000 1.990 17 K HA -0.245 4.074 4.320 -0.001 0.000 0.225 17 K C 1.993 178.544 176.600 -0.082 0.000 1.053 17 K CA 2.467 58.717 56.287 -0.062 0.000 0.982 17 K CB -0.457 32.008 32.500 -0.058 0.000 0.734 17 K HN 0.388 nan 8.250 nan 0.000 0.448 18 L N 0.366 121.528 121.223 -0.101 0.000 2.056 18 L HA -0.154 4.185 4.340 -0.001 0.000 0.207 18 L C 2.553 179.329 176.870 -0.157 0.000 1.078 18 L CA 0.981 55.740 54.840 -0.134 0.000 0.749 18 L CB -0.893 41.074 42.059 -0.154 0.000 0.901 18 L HN 0.274 nan 8.230 nan 0.000 0.433 19 A N 1.544 124.271 122.820 -0.155 0.000 2.007 19 A HA -0.382 3.937 4.320 -0.001 0.000 0.214 19 A C 2.478 179.950 177.584 -0.186 0.000 1.302 19 A CA 3.774 55.700 52.037 -0.186 0.000 0.770 19 A CB -1.605 17.289 19.000 -0.177 0.000 0.831 19 A HN 0.552 nan 8.150 nan 0.000 0.491 20 T N -1.949 112.512 114.554 -0.155 0.000 2.668 20 T HA -0.208 4.142 4.350 -0.001 0.000 0.265 20 T C -0.137 174.490 174.700 -0.121 0.000 1.041 20 T CA 2.209 64.230 62.100 -0.131 0.000 1.160 20 T CB -2.138 66.682 68.868 -0.080 0.000 0.857 20 T HN 0.419 nan 8.240 nan 0.000 0.455 21 P HA -0.057 nan 4.420 nan 0.000 0.214 21 P C 2.248 179.479 177.300 -0.115 0.000 1.163 21 P CA 1.797 64.843 63.100 -0.090 0.000 0.883 21 P CB -0.476 31.179 31.700 -0.076 0.000 0.788 22 V N -1.917 117.902 119.914 -0.159 0.000 2.216 22 V HA -0.211 3.908 4.120 -0.001 0.000 0.243 22 V C 2.238 178.247 176.094 -0.142 0.000 1.044 22 V CA 1.613 63.814 62.300 -0.165 0.000 0.995 22 V CB -2.090 29.576 31.823 -0.260 0.000 0.633 22 V HN 0.012 nan 8.190 nan 0.000 0.446 23 L N -0.286 120.818 121.223 -0.199 0.000 2.082 23 L HA -0.266 4.073 4.340 -0.001 0.000 0.223 23 L C 2.510 179.294 176.870 -0.143 0.000 1.086 23 L CA 2.803 57.510 54.840 -0.221 0.000 0.793 23 L CB -0.915 40.920 42.059 -0.373 0.000 0.896 23 L HN 0.420 nan 8.230 nan 0.000 0.441 24 I N 0.004 120.485 120.570 -0.148 0.000 2.133 24 I HA -0.181 3.988 4.170 -0.001 0.000 0.238 24 I C 2.781 178.802 176.117 -0.161 0.000 1.074 24 I CA 1.609 62.812 61.300 -0.163 0.000 1.342 24 I CB -0.847 37.030 38.000 -0.203 0.000 1.053 24 I HN 0.294 nan 8.210 nan 0.000 0.404 25 A N 0.208 122.953 122.820 -0.126 0.000 1.896 25 A HA -0.342 3.978 4.320 -0.001 0.000 0.220 25 A C 2.536 180.115 177.584 -0.009 0.000 1.206 25 A CA 3.256 55.258 52.037 -0.058 0.000 0.647 25 A CB -1.509 17.499 19.000 0.014 0.000 0.828 25 A HN 0.572 nan 8.150 nan 0.000 0.455 26 S N -0.295 115.412 115.700 0.012 0.000 2.374 26 S HA -0.192 4.278 4.470 -0.001 0.000 0.227 26 S C 1.713 176.327 174.600 0.023 0.000 1.037 26 S CA 1.680 59.910 58.200 0.051 0.000 1.024 26 S CB -1.327 61.897 63.200 0.040 0.000 0.861 26 S HN 0.379 nan 8.310 nan 0.000 0.456 27 V N 2.740 122.648 119.914 -0.009 0.000 2.453 27 V HA -0.220 3.899 4.120 -0.001 0.000 0.252 27 V C 3.032 179.108 176.094 -0.031 0.000 1.068 27 V CA 1.702 63.999 62.300 -0.006 0.000 1.070 27 V CB -1.745 30.062 31.823 -0.026 0.000 0.664 27 V HN 0.718 nan 8.190 nan 0.000 0.461 28 A N -0.608 122.176 122.820 -0.061 0.000 1.821 28 A HA -0.288 4.031 4.320 -0.001 0.000 0.215 28 A C 2.208 179.772 177.584 -0.034 0.000 1.214 28 A CA 2.039 54.039 52.037 -0.061 0.000 0.608 28 A CB -0.810 18.148 19.000 -0.070 0.000 0.862 28 A HN 0.548 nan 8.150 nan 0.000 0.448 29 Q N -0.448 119.348 119.800 -0.006 0.000 1.954 29 Q HA -0.325 4.015 4.340 -0.001 0.000 0.215 29 Q C 2.188 178.167 176.000 -0.035 0.000 1.026 29 Q CA 3.991 59.783 55.803 -0.018 0.000 0.881 29 Q CB -0.770 27.972 28.738 0.006 0.000 0.977 29 Q HN 0.758 nan 8.270 nan 0.000 0.416 30 T N -2.113 112.440 114.554 -0.002 0.000 2.684 30 T HA -0.118 4.232 4.350 -0.001 0.000 0.267 30 T C 1.757 176.468 174.700 0.019 0.000 1.036 30 T CA 1.716 63.838 62.100 0.037 0.000 1.148 30 T CB -1.332 67.590 68.868 0.090 0.000 0.863 30 T HN 0.545 nan 8.240 nan 0.000 0.436 31 G N 2.886 111.669 108.800 -0.029 0.000 2.877 31 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.211 31 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.211 31 G C 1.617 176.374 174.900 -0.238 0.000 1.367 31 G CA 1.998 47.010 45.100 -0.146 0.000 0.807 31 G HN 0.731 nan 8.290 nan 0.000 0.666 32 M N 1.064 120.578 119.600 -0.143 0.000 2.164 32 M HA -0.129 4.351 4.480 -0.001 0.000 0.251 32 M C 2.221 178.455 176.300 -0.110 0.000 1.087 32 M CA 2.798 58.030 55.300 -0.114 0.000 1.071 32 M CB -1.405 31.164 32.600 -0.051 0.000 1.347 32 M HN 0.288 nan 8.290 nan 0.000 0.399 33 G N 1.258 110.012 108.800 -0.076 0.000 2.739 33 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.216 33 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.216 33 G C 1.117 176.054 174.900 0.060 0.000 1.298 33 G CA 1.640 46.735 45.100 -0.008 0.000 0.804 33 G HN 0.752 nan 8.290 nan 0.000 0.623 34 F N 1.732 121.712 119.950 0.050 0.000 2.102 34 F HA -0.035 4.491 4.527 -0.001 0.000 0.298 34 F C 2.405 178.245 175.800 0.068 0.000 1.105 34 F CA 1.211 59.252 58.000 0.068 0.000 1.239 34 F CB -1.270 37.779 39.000 0.081 0.000 0.991 34 F HN 0.059 nan 8.300 nan 0.000 0.474 35 V N 2.603 122.157 119.914 -0.600 0.000 2.254 35 V HA -0.440 3.680 4.120 -0.001 0.000 0.242 35 V C 2.587 178.669 176.094 -0.019 0.000 1.024 35 V CA 2.820 64.887 62.300 -0.388 0.000 1.009 35 V CB -1.326 30.225 31.823 -0.453 0.000 0.653 35 V HN 0.585 nan 8.190 nan 0.000 0.474 36 D N -0.527 119.858 120.400 -0.026 0.000 2.123 36 D HA -0.178 4.461 4.640 -0.001 0.000 0.196 36 D C 1.757 178.097 176.300 0.066 0.000 0.992 36 D CA 2.197 56.220 54.000 0.038 0.000 0.833 36 D CB -0.735 40.086 40.800 0.036 0.000 0.954 36 D HN 0.491 nan 8.370 nan 0.000 0.455 37 T N 0.556 115.156 114.554 0.077 0.000 2.523 37 T HA -0.127 4.222 4.350 -0.001 0.000 0.253 37 T C 1.945 176.719 174.700 0.123 0.000 1.139 37 T CA 1.216 63.376 62.100 0.100 0.000 1.230 37 T CB -0.635 68.302 68.868 0.116 0.000 0.871 37 T HN 0.264 nan 8.240 nan 0.000 0.396 38 I N 0.820 121.501 120.570 0.185 0.000 2.099 38 I HA -0.192 3.978 4.170 -0.001 0.000 0.239 38 I C 2.509 178.716 176.117 0.151 0.000 1.066 38 I CA 1.538 62.943 61.300 0.174 0.000 1.324 38 I CB -0.273 37.852 38.000 0.209 0.000 1.037 38 I HN 0.275 nan 8.210 nan 0.000 0.401 39 M N 1.528 121.257 119.600 0.216 0.000 3.138 39 M HA -0.284 4.196 4.480 -0.001 0.000 0.280 39 M C 2.298 178.648 176.300 0.084 0.000 1.053 39 M CA 2.683 58.081 55.300 0.163 0.000 1.065 39 M CB -1.502 31.218 32.600 0.199 0.000 1.207 39 M HN 0.422 nan 8.290 nan 0.000 0.551 40 A N 0.022 122.886 122.820 0.074 0.000 2.240 40 A HA -0.075 4.244 4.320 -0.001 0.000 0.199 40 A C 1.565 179.133 177.584 -0.027 0.000 1.172 40 A CA 1.900 53.950 52.037 0.023 0.000 0.807 40 A CB -1.883 17.144 19.000 0.044 0.000 0.830 40 A HN 0.786 nan 8.150 nan 0.000 0.527 41 G N -1.262 107.527 108.800 -0.018 0.000 2.789 41 G HA2 0.442 4.401 3.960 -0.001 0.000 0.281 41 G HA3 0.442 4.401 3.960 -0.001 0.000 0.281 41 G C 0.454 175.352 174.900 -0.003 0.000 0.708 41 G CA 0.797 45.876 45.100 -0.036 0.000 2.067 41 G HN 1.368 nan 8.290 nan 0.000 0.554 42 G N -0.113 108.679 108.800 -0.014 0.000 4.103 42 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.123 42 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.123 42 G C 0.779 175.676 174.900 -0.005 0.000 1.189 42 G CA 0.401 45.509 45.100 0.012 0.000 1.111 42 G HN 0.402 nan 8.290 nan 0.000 0.399 43 V N 2.568 122.482 119.914 0.001 0.000 3.623 43 V HA 0.174 4.293 4.120 -0.001 0.000 0.274 43 V C 1.971 178.040 176.094 -0.040 0.000 1.244 43 V CA 1.851 64.143 62.300 -0.014 0.000 1.182 43 V CB 0.054 31.876 31.823 -0.002 0.000 0.925 43 V HN 0.356 nan 8.190 nan 0.000 0.462 44 S N 0.571 116.226 115.700 -0.075 0.000 2.738 44 S HA 0.320 4.789 4.470 -0.001 0.000 0.216 44 S C 1.486 176.002 174.600 -0.139 0.000 0.968 44 S CA 0.471 58.583 58.200 -0.147 0.000 0.879 44 S CB -0.017 63.024 63.200 -0.264 0.000 0.837 44 S HN 0.523 nan 8.310 nan 0.000 0.622 45 A N 3.058 125.801 122.820 -0.130 0.000 2.899 45 A HA 0.299 4.618 4.320 -0.001 0.000 0.287 45 A C 0.363 177.915 177.584 -0.054 0.000 1.715 45 A CA -0.262 51.719 52.037 -0.093 0.000 1.393 45 A CB -1.259 17.694 19.000 -0.079 0.000 1.070 45 A HN 0.467 nan 8.150 nan 0.000 0.587 46 I N 1.847 122.389 120.570 -0.047 0.000 2.733 46 I HA -0.319 3.850 4.170 -0.001 0.000 0.126 46 I C 0.574 176.678 176.117 -0.022 0.000 0.882 46 I CA 1.574 62.856 61.300 -0.029 0.000 2.786 46 I CB -2.216 35.772 38.000 -0.021 0.000 0.555 46 I HN 0.782 nan 8.210 nan 0.000 0.352 47 D N 0.104 120.492 120.400 -0.021 0.000 2.729 47 D HA -0.245 4.394 4.640 -0.001 0.000 0.190 47 D C 0.684 176.982 176.300 -0.003 0.000 1.089 47 D CA 1.545 55.542 54.000 -0.006 0.000 1.041 47 D CB -0.429 40.370 40.800 -0.000 0.000 1.112 47 D HN 0.415 nan 8.370 nan 0.000 0.413 48 M N -0.339 119.254 119.600 -0.013 0.000 2.923 48 M HA 0.583 5.062 4.480 -0.001 0.000 0.311 48 M C 0.975 177.264 176.300 -0.018 0.000 1.376 48 M CA 0.057 55.349 55.300 -0.014 0.000 1.468 48 M CB 0.045 32.636 32.600 -0.016 0.000 1.151 48 M HN 0.218 nan 8.290 nan 0.000 0.517 49 A N 0.731 123.544 122.820 -0.011 0.000 2.511 49 A HA 0.441 4.760 4.320 -0.001 0.000 0.201 49 A C 1.521 179.112 177.584 0.010 0.000 1.628 49 A CA 0.515 52.545 52.037 -0.011 0.000 1.578 49 A CB -0.905 18.077 19.000 -0.030 0.000 1.443 49 A HN 0.504 nan 8.150 nan 0.000 0.514 50 A N 0.738 123.571 122.820 0.022 0.000 2.125 50 A HA 0.055 4.374 4.320 -0.001 0.000 0.199 50 A C 2.165 179.780 177.584 0.051 0.000 1.193 50 A CA 3.435 55.504 52.037 0.053 0.000 0.747 50 A CB -1.735 17.307 19.000 0.069 0.000 0.853 50 A HN 1.665 nan 8.150 nan 0.000 0.513 51 V N -1.279 118.663 119.914 0.045 0.000 2.418 51 V HA -0.324 3.796 4.120 -0.001 0.000 0.258 51 V C 2.142 178.224 176.094 -0.020 0.000 1.088 51 V CA 2.825 65.131 62.300 0.011 0.000 1.091 51 V CB -1.969 29.843 31.823 -0.018 0.000 0.669 51 V HN 0.529 nan 8.190 nan 0.000 0.461 52 S N 2.815 118.510 115.700 -0.009 0.000 2.414 52 S HA -0.234 4.235 4.470 -0.001 0.000 0.225 52 S C 1.858 176.457 174.600 -0.002 0.000 1.041 52 S CA 2.262 60.453 58.200 -0.016 0.000 1.114 52 S CB -0.809 62.386 63.200 -0.007 0.000 1.064 52 S HN 0.872 nan 8.310 nan 0.000 0.420 53 I N 1.900 122.487 120.570 0.028 0.000 2.530 53 I HA -0.028 4.142 4.170 -0.001 0.000 0.257 53 I C 2.085 178.258 176.117 0.095 0.000 1.179 53 I CA 0.563 61.899 61.300 0.060 0.000 1.440 53 I CB -1.360 36.688 38.000 0.081 0.000 1.087 53 I HN 0.220 nan 8.210 nan 0.000 0.440 54 A N 1.847 124.714 122.820 0.080 0.000 1.848 54 A HA -0.010 4.309 4.320 -0.001 0.000 0.211 54 A C 2.617 180.260 177.584 0.098 0.000 1.225 54 A CA 2.606 54.719 52.037 0.126 0.000 0.637 54 A CB -1.612 17.432 19.000 0.073 0.000 0.867 54 A HN 0.565 nan 8.150 nan 0.000 0.463 55 A N -0.930 121.747 122.820 -0.238 0.000 1.940 55 A HA -0.248 4.071 4.320 -0.001 0.000 0.221 55 A C 2.484 180.080 177.584 0.021 0.000 1.190 55 A CA 3.001 54.755 52.037 -0.471 0.000 0.647 55 A CB -1.369 17.339 19.000 -0.486 0.000 0.821 55 A HN 0.916 nan 8.150 nan 0.000 0.457 56 S N -0.169 115.551 115.700 0.034 0.000 2.392 56 S HA -0.211 4.258 4.470 -0.001 0.000 0.225 56 S C 1.824 176.538 174.600 0.189 0.000 1.041 56 S CA 1.803 60.053 58.200 0.084 0.000 1.100 56 S CB -0.597 62.630 63.200 0.046 0.000 1.029 56 S HN 0.507 nan 8.310 nan 0.000 0.424 57 I N -0.071 120.634 120.570 0.225 0.000 2.623 57 I HA -0.190 3.980 4.170 -0.001 0.000 0.261 57 I C 1.871 178.194 176.117 0.343 0.000 1.204 57 I CA 0.793 62.254 61.300 0.269 0.000 1.444 57 I CB -0.388 37.750 38.000 0.230 0.000 1.094 57 I HN 0.478 nan 8.210 nan 0.000 0.451 58 W N 0.337 121.696 121.300 0.099 0.000 2.363 58 W HA -0.184 4.475 4.660 -0.001 0.000 0.296 58 W C 2.220 178.816 176.519 0.128 0.000 1.212 58 W CA 0.785 58.192 57.345 0.104 0.000 1.260 58 W CB -0.510 29.000 29.460 0.084 0.000 1.131 58 W HN 0.057 nan 8.180 nan 0.000 0.530 59 L N -0.318 121.119 121.223 0.357 0.000 2.044 59 L HA -0.045 4.295 4.340 -0.001 0.000 0.205 59 L C -0.732 176.289 176.870 0.252 0.000 1.075 59 L CA 1.368 56.372 54.840 0.274 0.000 0.747 59 L CB -2.864 39.334 42.059 0.231 0.000 0.903 59 L HN -0.168 nan 8.230 nan 0.000 0.435 60 P HA -0.048 nan 4.420 nan 0.000 0.261 60 P C 1.455 178.880 177.300 0.209 0.000 1.297 60 P CA 0.920 64.147 63.100 0.213 0.000 0.757 60 P CB 0.134 31.942 31.700 0.181 0.000 1.149 61 S N -0.551 115.292 115.700 0.238 0.000 2.591 61 S HA -0.007 4.462 4.470 -0.001 0.000 0.235 61 S C 1.609 176.448 174.600 0.399 0.000 1.074 61 S CA 0.120 58.492 58.200 0.288 0.000 0.925 61 S CB -0.511 62.785 63.200 0.160 0.000 0.818 61 S HN 0.082 nan 8.310 nan 0.000 0.535 62 I N 2.029 122.779 120.570 0.300 0.000 2.335 62 I HA -0.047 4.122 4.170 -0.001 0.000 0.251 62 I C 2.046 178.296 176.117 0.222 0.000 1.129 62 I CA 1.417 62.891 61.300 0.289 0.000 1.402 62 I CB -0.905 37.230 38.000 0.226 0.000 1.069 62 I HN 0.408 nan 8.210 nan 0.000 0.424 63 L N -0.103 121.247 121.223 0.211 0.000 1.961 63 L HA -0.169 4.170 4.340 -0.001 0.000 0.210 63 L C 2.451 179.346 176.870 0.043 0.000 1.072 63 L CA 1.815 56.752 54.840 0.161 0.000 0.749 63 L CB -0.768 41.427 42.059 0.226 0.000 0.889 63 L HN 0.180 nan 8.230 nan 0.000 0.432 64 F N 1.297 121.175 119.950 -0.120 0.000 2.257 64 F HA -0.208 4.318 4.527 -0.001 0.000 0.302 64 F C 2.131 177.316 175.800 -1.024 0.000 1.056 64 F CA 1.257 59.049 58.000 -0.347 0.000 1.353 64 F CB -1.012 37.929 39.000 -0.098 0.000 1.064 64 F HN 0.282 nan 8.300 nan 0.000 0.520 65 G N -0.018 108.266 108.800 -0.861 0.000 2.604 65 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.216 65 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.216 65 G C 1.571 176.166 174.900 -0.508 0.000 1.265 65 G CA 1.779 46.309 45.100 -0.949 0.000 0.804 65 G HN 0.366 nan 8.290 nan 0.000 0.579 66 V N -0.027 119.743 119.914 -0.239 0.000 3.284 66 V HA 0.116 4.235 4.120 -0.001 0.000 0.273 66 V C 2.492 178.454 176.094 -0.220 0.000 1.178 66 V CA 1.496 63.689 62.300 -0.179 0.000 1.177 66 V CB -1.210 30.562 31.823 -0.085 0.000 0.793 66 V HN 0.362 nan 8.190 nan 0.000 0.536 67 G N -0.075 108.509 108.800 -0.360 0.000 2.421 67 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.217 67 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.217 67 G C 1.330 175.972 174.900 -0.429 0.000 1.143 67 G CA 0.586 45.429 45.100 -0.428 0.000 0.784 67 G HN 0.443 nan 8.290 nan 0.000 0.541 68 L N 1.089 122.066 121.223 -0.409 0.000 2.492 68 L HA 0.298 4.638 4.340 -0.001 0.000 0.223 68 L C 2.333 179.116 176.870 -0.144 0.000 1.132 68 L CA 0.569 55.270 54.840 -0.232 0.000 0.850 68 L CB -0.508 41.517 42.059 -0.058 0.000 0.966 68 L HN 0.288 nan 8.230 nan 0.000 0.454 69 L N -0.697 120.430 121.223 -0.161 0.000 1.971 69 L HA -0.293 4.046 4.340 -0.001 0.000 0.215 69 L C 2.524 179.355 176.870 -0.065 0.000 1.072 69 L CA 1.539 56.318 54.840 -0.102 0.000 0.758 69 L CB -0.113 41.889 42.059 -0.096 0.000 0.889 69 L HN 0.171 nan 8.230 nan 0.000 0.433 70 M N 0.127 119.676 119.600 -0.085 0.000 2.661 70 M HA -0.252 4.227 4.480 -0.001 0.000 0.273 70 M C 2.491 178.737 176.300 -0.090 0.000 1.068 70 M CA 2.003 57.259 55.300 -0.073 0.000 1.079 70 M CB -1.992 30.546 32.600 -0.103 0.000 1.223 70 M HN 0.537 nan 8.290 nan 0.000 0.495 71 A N 1.057 123.776 122.820 -0.169 0.000 1.883 71 A HA -0.309 4.010 4.320 -0.001 0.000 0.269 71 A C 2.184 179.742 177.584 -0.043 0.000 2.559 71 A CA 2.700 54.626 52.037 -0.186 0.000 0.908 71 A CB -1.630 17.228 19.000 -0.238 0.000 0.807 71 A HN 0.573 nan 8.150 nan 0.000 0.505 72 L N -0.393 120.835 121.223 0.008 0.000 2.021 72 L HA -0.189 4.150 4.340 -0.001 0.000 0.215 72 L C 2.651 179.552 176.870 0.051 0.000 1.074 72 L CA 2.596 57.476 54.840 0.066 0.000 0.760 72 L CB -1.369 40.733 42.059 0.073 0.000 0.889 72 L HN 0.378 nan 8.230 nan 0.000 0.433 73 V N 0.865 120.792 119.914 0.022 0.000 2.218 73 V HA -0.239 3.880 4.120 -0.001 0.000 0.251 73 V C -1.006 175.101 176.094 0.020 0.000 1.057 73 V CA 2.168 64.481 62.300 0.021 0.000 1.022 73 V CB -1.881 29.949 31.823 0.011 0.000 0.645 73 V HN 0.336 nan 8.190 nan 0.000 0.451 74 P HA 0.105 nan 4.420 nan 0.000 0.226 74 P C 0.310 177.643 177.300 0.055 0.000 1.758 74 P CA 0.490 63.599 63.100 0.015 0.000 0.896 74 P CB -0.181 31.513 31.700 -0.010 0.000 1.784 75 V N -3.714 116.246 119.914 0.076 0.000 3.528 75 V HA 0.152 4.271 4.120 -0.001 0.000 0.294 75 V C 1.146 177.287 176.094 0.078 0.000 1.404 75 V CA 0.170 62.537 62.300 0.112 0.000 1.065 75 V CB 0.205 32.117 31.823 0.149 0.000 0.904 75 V HN 0.029 nan 8.190 nan 0.000 0.435 76 V N 2.070 122.013 119.914 0.047 0.000 3.570 76 V HA 0.446 4.566 4.120 -0.001 0.000 0.293 76 V C 1.816 177.908 176.094 -0.004 0.000 1.237 76 V CA 0.959 63.269 62.300 0.016 0.000 1.226 76 V CB -0.571 31.252 31.823 -0.001 0.000 1.028 76 V HN 0.680 nan 8.190 nan 0.000 0.430 77 A N 0.559 123.388 122.820 0.016 0.000 2.604 77 A HA 0.153 4.472 4.320 -0.001 0.000 0.248 77 A C 1.559 179.150 177.584 0.012 0.000 1.466 77 A CA 0.461 52.504 52.037 0.010 0.000 1.222 77 A CB -0.326 18.685 19.000 0.019 0.000 0.945 77 A HN 0.850 nan 8.150 nan 0.000 0.600 78 Q N -1.256 118.526 119.800 -0.030 0.000 2.390 78 Q HA 0.195 4.534 4.340 -0.001 0.000 0.216 78 Q C 0.525 176.458 176.000 -0.112 0.000 0.916 78 Q CA -0.064 55.688 55.803 -0.085 0.000 0.911 78 Q CB -0.303 28.338 28.738 -0.161 0.000 1.035 78 Q HN 0.366 nan 8.270 nan 0.000 0.541 79 L N 2.796 123.958 121.223 -0.101 0.000 3.163 79 L HA 0.080 4.419 4.340 -0.001 0.000 0.261 79 L C 0.349 177.188 176.870 -0.052 0.000 1.313 79 L CA 0.691 55.475 54.840 -0.093 0.000 1.111 79 L CB -0.605 41.402 42.059 -0.086 0.000 1.511 79 L HN 0.455 nan 8.230 nan 0.000 0.419 80 N N -1.204 117.478 118.700 -0.030 0.000 1.926 80 N HA -0.017 4.722 4.740 -0.001 0.000 0.221 80 N C 0.786 176.333 175.510 0.061 0.000 1.410 80 N CA 0.409 53.470 53.050 0.018 0.000 0.711 80 N CB 0.474 38.984 38.487 0.038 0.000 1.126 80 N HN 0.182 nan 8.380 nan 0.000 0.546 81 G N 1.474 110.263 108.800 -0.018 0.000 2.843 81 G HA2 0.367 4.326 3.960 -0.001 0.000 0.275 81 G HA3 0.367 4.326 3.960 -0.001 0.000 0.275 81 G C 1.212 176.054 174.900 -0.098 0.000 0.709 81 G CA 0.488 45.515 45.100 -0.122 0.000 2.089 81 G HN 0.586 nan 8.290 nan 0.000 0.571 82 A N 0.127 122.944 122.820 -0.006 0.000 3.183 82 A HA -0.180 4.139 4.320 -0.001 0.000 0.277 82 A C 1.885 179.452 177.584 -0.028 0.000 1.180 82 A CA 2.253 54.287 52.037 -0.004 0.000 1.022 82 A CB -1.401 17.585 19.000 -0.023 0.000 0.923 82 A HN 1.687 nan 8.150 nan 0.000 0.647 83 G N -1.538 107.238 108.800 -0.040 0.000 2.514 83 G HA2 0.360 4.319 3.960 -0.001 0.000 0.245 83 G HA3 0.360 4.319 3.960 -0.001 0.000 0.245 83 G C 0.451 175.335 174.900 -0.027 0.000 1.488 83 G CA -0.382 44.694 45.100 -0.040 0.000 1.063 83 G HN 0.632 nan 8.290 nan 0.000 0.557 84 R N 1.247 121.730 120.500 -0.027 0.000 4.266 84 R HA -0.131 4.208 4.340 -0.001 0.000 0.146 84 R C 2.283 178.577 176.300 -0.009 0.000 1.642 84 R CA 0.613 56.705 56.100 -0.012 0.000 1.295 84 R CB -0.558 29.727 30.300 -0.024 0.000 1.220 84 R HN 0.704 nan 8.270 nan 0.000 0.614 85 Q N -0.680 119.120 119.800 0.000 0.000 2.217 85 Q HA -0.253 4.086 4.340 -0.001 0.000 0.209 85 Q C 0.584 176.606 176.000 0.035 0.000 0.988 85 Q CA 1.544 57.351 55.803 0.006 0.000 0.878 85 Q CB -0.259 28.467 28.738 -0.020 0.000 0.909 85 Q HN 0.600 nan 8.270 nan 0.000 0.424 86 H N -0.150 118.907 119.070 -0.022 0.000 2.517 86 H HA 0.254 4.810 4.556 -0.001 0.000 0.346 86 H C 0.019 175.343 175.328 -0.006 0.000 1.222 86 H CA 0.481 56.522 56.048 -0.012 0.000 1.314 86 H CB 0.986 30.736 29.762 -0.020 0.000 1.609 86 H HN 0.178 nan 8.280 nan 0.000 0.571 87 K N -0.072 119.623 120.400 -1.175 0.000 3.448 87 K HA -0.235 4.085 4.320 -0.001 0.000 0.292 87 K C 1.715 178.125 176.600 -0.316 0.000 0.847 87 K CA 1.268 57.223 56.287 -0.554 0.000 1.278 87 K CB -1.841 30.556 32.500 -0.172 0.000 1.266 87 K HN 0.598 nan 8.250 nan 0.000 0.523 88 I N -0.241 120.171 120.570 -0.264 0.000 2.226 88 I HA -0.102 4.067 4.170 -0.001 0.000 0.245 88 I C -1.141 174.903 176.117 -0.123 0.000 1.100 88 I CA 1.199 62.419 61.300 -0.134 0.000 1.374 88 I CB -0.726 37.230 38.000 -0.073 0.000 1.057 88 I HN -0.017 nan 8.210 nan 0.000 0.413 89 P HA -0.196 nan 4.420 nan 0.000 0.216 89 P C 1.878 178.933 177.300 -0.408 0.000 1.153 89 P CA 1.844 64.845 63.100 -0.165 0.000 0.858 89 P CB -0.225 31.399 31.700 -0.128 0.000 0.789 90 F N -0.287 119.343 119.950 -0.534 0.000 2.163 90 F HA -0.183 4.343 4.527 -0.001 0.000 0.297 90 F C 2.478 178.134 175.800 -0.239 0.000 1.094 90 F CA 0.468 58.192 58.000 -0.460 0.000 1.290 90 F CB 0.023 38.883 39.000 -0.235 0.000 1.017 90 F HN -0.099 nan 8.300 nan 0.000 0.483 91 E N 0.678 120.852 120.200 -0.044 0.000 2.048 91 E HA -0.222 4.128 4.350 -0.001 0.000 0.202 91 E C 2.008 178.592 176.600 -0.028 0.000 1.021 91 E CA 1.968 58.315 56.400 -0.088 0.000 0.825 91 E CB -0.867 28.788 29.700 -0.075 0.000 0.756 91 E HN 0.170 nan 8.360 nan 0.000 0.454 92 V N 0.918 120.859 119.914 0.045 0.000 2.218 92 V HA -0.381 3.738 4.120 -0.001 0.000 0.251 92 V C 2.276 178.505 176.094 0.225 0.000 1.057 92 V CA 2.596 64.980 62.300 0.141 0.000 1.022 92 V CB -1.001 30.963 31.823 0.235 0.000 0.645 92 V HN 0.474 nan 8.190 nan 0.000 0.451 93 H N -0.376 118.749 119.070 0.091 0.000 2.407 93 H HA -0.218 4.337 4.556 -0.001 0.000 0.293 93 H C 2.346 177.682 175.328 0.013 0.000 1.122 93 H CA 2.027 58.141 56.048 0.110 0.000 1.232 93 H CB -0.464 29.469 29.762 0.285 0.000 1.361 93 H HN 0.431 nan 8.280 nan 0.000 0.498 94 Q N -0.532 119.299 119.800 0.051 0.000 2.062 94 Q HA 0.028 4.367 4.340 -0.001 0.000 0.196 94 Q C 2.799 178.770 176.000 -0.048 0.000 0.967 94 Q CA 1.151 56.903 55.803 -0.084 0.000 0.832 94 Q CB -0.743 27.839 28.738 -0.259 0.000 0.899 94 Q HN 0.597 nan 8.270 nan 0.000 0.442 95 G N 1.364 110.151 108.800 -0.022 0.000 2.469 95 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.219 95 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.219 95 G C 1.510 176.415 174.900 0.008 0.000 1.150 95 G CA 0.704 45.798 45.100 -0.009 0.000 0.763 95 G HN 0.324 nan 8.290 nan 0.000 0.561 96 L N 0.097 121.340 121.223 0.032 0.000 2.056 96 L HA -0.001 4.338 4.340 -0.001 0.000 0.207 96 L C 2.760 179.646 176.870 0.026 0.000 1.078 96 L CA 0.691 55.553 54.840 0.037 0.000 0.749 96 L CB -0.198 41.890 42.059 0.049 0.000 0.901 96 L HN 0.083 nan 8.230 nan 0.000 0.433 97 I N 0.024 120.605 120.570 0.019 0.000 2.151 97 I HA -0.326 3.844 4.170 -0.001 0.000 0.243 97 I C 2.587 178.696 176.117 -0.014 0.000 1.080 97 I CA 1.414 62.718 61.300 0.008 0.000 1.339 97 I CB -1.115 36.888 38.000 0.004 0.000 1.039 97 I HN 0.371 nan 8.210 nan 0.000 0.409 98 L N 1.606 122.809 121.223 -0.032 0.000 2.127 98 L HA -0.128 4.211 4.340 -0.001 0.000 0.211 98 L C 2.557 179.426 176.870 -0.002 0.000 1.089 98 L CA 2.079 56.893 54.840 -0.044 0.000 0.757 98 L CB -1.060 40.973 42.059 -0.044 0.000 0.899 98 L HN 0.192 nan 8.230 nan 0.000 0.434 99 A N -0.358 122.469 122.820 0.012 0.000 1.892 99 A HA -0.235 4.085 4.320 -0.001 0.000 0.218 99 A C 2.168 179.769 177.584 0.028 0.000 1.188 99 A CA 2.312 54.365 52.037 0.027 0.000 0.631 99 A CB -0.955 18.070 19.000 0.042 0.000 0.822 99 A HN 0.455 nan 8.150 nan 0.000 0.447 100 L N -0.248 120.987 121.223 0.021 0.000 1.994 100 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 100 L C 2.463 179.322 176.870 -0.018 0.000 1.071 100 L CA 1.602 56.447 54.840 0.009 0.000 0.745 100 L CB -0.870 41.194 42.059 0.008 0.000 0.892 100 L HN 0.405 nan 8.230 nan 0.000 0.431 101 L N -1.550 119.659 121.223 -0.024 0.000 2.270 101 L HA -0.259 4.080 4.340 -0.001 0.000 0.217 101 L C 2.232 179.098 176.870 -0.006 0.000 1.107 101 L CA 0.701 55.517 54.840 -0.039 0.000 0.772 101 L CB -0.804 41.205 42.059 -0.083 0.000 0.902 101 L HN 0.171 nan 8.230 nan 0.000 0.439 102 V N -0.872 119.050 119.914 0.014 0.000 2.521 102 V HA -0.145 3.974 4.120 -0.001 0.000 0.239 102 V C 2.506 178.589 176.094 -0.018 0.000 1.053 102 V CA 1.355 63.678 62.300 0.037 0.000 1.073 102 V CB 0.326 32.184 31.823 0.058 0.000 0.746 102 V HN 0.549 nan 8.190 nan 0.000 0.476 103 S N 0.606 116.293 115.700 -0.022 0.000 2.368 103 S HA -0.264 4.205 4.470 -0.001 0.000 0.226 103 S C 1.967 176.288 174.600 -0.464 0.000 1.044 103 S CA 1.993 60.144 58.200 -0.082 0.000 1.062 103 S CB -1.079 62.153 63.200 0.053 0.000 0.931 103 S HN 0.267 nan 8.310 nan 0.000 0.440 104 V N 3.663 123.375 119.914 -0.336 0.000 2.255 104 V HA -0.105 4.015 4.120 -0.001 0.000 0.247 104 V C -0.318 175.617 176.094 -0.266 0.000 1.051 104 V CA 2.233 64.319 62.300 -0.356 0.000 1.018 104 V CB -1.819 29.895 31.823 -0.182 0.000 0.641 104 V HN 0.369 nan 8.190 nan 0.000 0.445 105 P HA -0.141 nan 4.420 nan 0.000 0.220 105 P C 1.560 178.829 177.300 -0.051 0.000 1.144 105 P CA 1.379 64.447 63.100 -0.053 0.000 0.800 105 P CB 0.010 31.716 31.700 0.009 0.000 0.772 106 I N -1.951 118.550 120.570 -0.115 0.000 3.228 106 I HA -0.012 4.157 4.170 -0.001 0.000 0.279 106 I C 2.067 178.126 176.117 -0.096 0.000 1.221 106 I CA 0.501 61.794 61.300 -0.013 0.000 1.458 106 I CB -0.792 37.286 38.000 0.129 0.000 1.105 106 I HN -0.026 nan 8.210 nan 0.000 0.445 107 I N 1.194 121.376 120.570 -0.646 0.000 2.208 107 I HA -0.306 3.863 4.170 -0.001 0.000 0.245 107 I C 2.782 178.931 176.117 0.054 0.000 1.097 107 I CA 1.258 62.217 61.300 -0.567 0.000 1.363 107 I CB -0.532 37.137 38.000 -0.551 0.000 1.051 107 I HN 0.125 nan 8.210 nan 0.000 0.413 108 A N 1.215 124.033 122.820 -0.002 0.000 1.885 108 A HA -0.261 4.058 4.320 -0.001 0.000 0.215 108 A C 2.395 180.073 177.584 0.157 0.000 1.255 108 A CA 2.767 54.863 52.037 0.100 0.000 0.692 108 A CB -1.357 17.674 19.000 0.053 0.000 0.842 108 A HN 0.194 nan 8.150 nan 0.000 0.465 109 V N 0.485 120.479 119.914 0.134 0.000 2.242 109 V HA -0.349 3.770 4.120 -0.001 0.000 0.257 109 V C 2.441 178.652 176.094 0.194 0.000 1.073 109 V CA 2.359 64.751 62.300 0.153 0.000 1.058 109 V CB -1.183 30.736 31.823 0.161 0.000 0.664 109 V HN 0.652 nan 8.190 nan 0.000 0.451 110 L N -0.162 121.234 121.223 0.288 0.000 1.925 110 L HA -0.264 4.075 4.340 -0.001 0.000 0.232 110 L C 2.363 179.397 176.870 0.274 0.000 1.089 110 L CA 3.018 58.057 54.840 0.332 0.000 0.806 110 L CB -1.294 41.107 42.059 0.569 0.000 0.899 110 L HN 0.431 nan 8.230 nan 0.000 0.435 111 F N 0.628 120.693 119.950 0.192 0.000 2.079 111 F HA -0.425 4.101 4.527 -0.001 0.000 0.296 111 F C 2.725 178.578 175.800 0.089 0.000 1.084 111 F CA 2.609 60.668 58.000 0.097 0.000 1.236 111 F CB -0.254 38.750 39.000 0.008 0.000 0.984 111 F HN 0.412 nan 8.300 nan 0.000 0.488 112 Q N -0.076 119.584 119.800 -0.233 0.000 2.016 112 Q HA -0.158 4.181 4.340 -0.001 0.000 0.200 112 Q C 2.420 178.360 176.000 -0.100 0.000 0.978 112 Q CA 2.509 58.145 55.803 -0.278 0.000 0.833 112 Q CB -0.940 27.770 28.738 -0.048 0.000 0.895 112 Q HN 0.471 nan 8.270 nan 0.000 0.427 113 T N -0.672 113.884 114.554 0.003 0.000 2.788 113 T HA -0.148 4.201 4.350 -0.001 0.000 0.268 113 T C 1.541 176.261 174.700 0.034 0.000 1.044 113 T CA 1.371 63.494 62.100 0.038 0.000 1.139 113 T CB -0.072 68.843 68.868 0.080 0.000 0.867 113 T HN 0.289 nan 8.240 nan 0.000 0.454 114 Q N 0.020 119.848 119.800 0.046 0.000 2.084 114 Q HA 0.015 4.354 4.340 -0.001 0.000 0.202 114 Q C 1.571 177.614 176.000 0.072 0.000 0.978 114 Q CA 1.024 56.867 55.803 0.067 0.000 0.844 114 Q CB -0.707 28.100 28.738 0.115 0.000 0.898 114 Q HN 0.582 nan 8.270 nan 0.000 0.426 115 F N -0.434 119.377 119.950 -0.231 0.000 2.695 115 F HA 0.091 4.617 4.527 -0.001 0.000 0.301 115 F C 1.214 176.911 175.800 -0.171 0.000 1.182 115 F CA 0.020 57.863 58.000 -0.261 0.000 1.412 115 F CB 0.235 38.897 39.000 -0.564 0.000 1.056 115 F HN -0.031 nan 8.300 nan 0.000 0.522 116 I N -2.070 118.481 120.570 -0.032 0.000 5.409 116 I HA 0.085 4.255 4.170 -0.001 0.000 0.367 116 I C 0.330 176.431 176.117 -0.026 0.000 1.127 116 I CA 0.179 61.456 61.300 -0.039 0.000 1.619 116 I CB -0.161 37.835 38.000 -0.007 0.000 2.019 116 I HN -0.121 nan 8.210 nan 0.000 0.684 117 I N -0.150 120.417 120.570 -0.004 0.000 7.292 117 I HA -0.387 3.782 4.170 -0.001 0.000 0.126 117 I C 1.679 177.816 176.117 0.034 0.000 1.519 117 I CA 1.251 62.558 61.300 0.013 0.000 2.398 117 I CB -0.936 37.060 38.000 -0.008 0.000 3.030 117 I HN 0.198 nan 8.210 nan 0.000 0.266 118 R N -0.899 119.636 120.500 0.058 0.000 2.084 118 R HA 0.360 4.699 4.340 -0.001 0.000 0.209 118 R C 0.586 176.990 176.300 0.175 0.000 1.173 118 R CA 1.102 57.260 56.100 0.097 0.000 1.053 118 R CB -0.070 30.282 30.300 0.087 0.000 0.948 118 R HN 0.498 nan 8.270 nan 0.000 0.460 119 F N -0.743 119.184 119.950 -0.038 0.000 2.990 119 F HA 0.567 5.094 4.527 -0.001 0.000 0.357 119 F C -0.802 174.970 175.800 -0.046 0.000 1.395 119 F CA -0.989 56.987 58.000 -0.041 0.000 1.087 119 F CB 0.936 39.907 39.000 -0.047 0.000 1.655 119 F HN -0.172 nan 8.300 nan 0.000 0.456 120 M N 1.322 120.757 119.600 -0.274 0.000 2.265 120 M HA 0.246 4.725 4.480 -0.001 0.000 0.262 120 M C -2.097 174.143 176.300 -0.099 0.000 1.026 120 M CA -0.116 55.056 55.300 -0.213 0.000 0.987 120 M CB 1.418 33.821 32.600 -0.328 0.000 1.937 120 M HN 0.608 nan 8.290 nan 0.000 0.481 121 D N 2.063 122.454 120.400 -0.015 0.000 3.045 121 D HA 0.311 4.951 4.640 -0.001 0.000 0.196 121 D C 1.030 177.319 176.300 -0.019 0.000 1.520 121 D CA 1.164 55.169 54.000 0.009 0.000 1.466 121 D CB 0.836 41.663 40.800 0.044 0.000 1.152 121 D HN 0.459 nan 8.370 nan 0.000 0.254 122 V N -2.893 117.010 119.914 -0.018 0.000 3.071 122 V HA 0.215 4.334 4.120 -0.001 0.000 0.244 122 V C 1.561 177.640 176.094 -0.025 0.000 1.644 122 V CA -0.088 62.198 62.300 -0.024 0.000 1.090 122 V CB 0.460 32.272 31.823 -0.018 0.000 0.981 122 V HN 0.058 nan 8.190 nan 0.000 0.422 123 E N 2.252 122.438 120.200 -0.023 0.000 2.038 123 E HA -0.268 4.081 4.350 -0.001 0.000 0.195 123 E C 1.575 178.160 176.600 -0.025 0.000 1.000 123 E CA 2.513 58.898 56.400 -0.024 0.000 0.803 123 E CB -0.147 29.536 29.700 -0.029 0.000 0.750 123 E HN 0.916 nan 8.360 nan 0.000 0.448 124 E N 1.269 121.450 120.200 -0.032 0.000 3.145 124 E HA -0.345 4.004 4.350 -0.001 0.000 0.365 124 E C 1.790 178.369 176.600 -0.035 0.000 1.238 124 E CA 2.058 58.434 56.400 -0.041 0.000 1.180 124 E CB -1.552 28.111 29.700 -0.063 0.000 1.144 124 E HN 0.277 nan 8.360 nan 0.000 0.435 125 A N 1.219 124.012 122.820 -0.046 0.000 1.900 125 A HA -0.386 3.933 4.320 -0.001 0.000 0.225 125 A C 2.228 179.816 177.584 0.007 0.000 1.414 125 A CA 3.557 55.577 52.037 -0.028 0.000 0.702 125 A CB -1.107 17.873 19.000 -0.032 0.000 0.845 125 A HN 0.493 nan 8.150 nan 0.000 0.478 126 M N -1.629 117.972 119.600 0.001 0.000 6.504 126 M HA -0.152 4.328 4.480 -0.001 0.000 0.365 126 M C 2.355 178.657 176.300 0.003 0.000 1.031 126 M CA 1.356 56.661 55.300 0.007 0.000 1.056 126 M CB -0.849 31.748 32.600 -0.005 0.000 0.985 126 M HN 0.480 nan 8.290 nan 0.000 0.992 127 A N -0.302 122.512 122.820 -0.011 0.000 2.023 127 A HA -0.229 4.091 4.320 -0.001 0.000 0.223 127 A C 2.042 179.597 177.584 -0.048 0.000 1.180 127 A CA 2.606 54.627 52.037 -0.026 0.000 0.659 127 A CB -1.599 17.391 19.000 -0.015 0.000 0.817 127 A HN 0.766 nan 8.150 nan 0.000 0.466 128 T N -0.119 114.423 114.554 -0.021 0.000 2.393 128 T HA -0.126 4.223 4.350 -0.001 0.000 0.231 128 T C 1.864 176.575 174.700 0.020 0.000 1.377 128 T CA 1.475 63.571 62.100 -0.006 0.000 1.375 128 T CB -0.220 68.652 68.868 0.007 0.000 0.887 128 T HN 0.353 nan 8.240 nan 0.000 0.386 129 K N 1.357 121.821 120.400 0.107 0.000 2.281 129 K HA -0.087 4.232 4.320 -0.001 0.000 0.203 129 K C 2.533 179.274 176.600 0.234 0.000 1.046 129 K CA 1.462 57.887 56.287 0.231 0.000 0.938 129 K CB -1.323 31.368 32.500 0.319 0.000 0.737 129 K HN 0.763 nan 8.250 nan 0.000 0.458 130 T N -0.376 114.236 114.554 0.096 0.000 2.607 130 T HA -0.187 4.162 4.350 -0.001 0.000 0.267 130 T C 2.082 176.656 174.700 -0.210 0.000 1.049 130 T CA 2.259 64.340 62.100 -0.032 0.000 1.162 130 T CB -1.131 67.713 68.868 -0.041 0.000 0.863 130 T HN 0.066 nan 8.240 nan 0.000 0.424 131 V N 1.155 120.886 119.914 -0.304 0.000 2.515 131 V HA 0.148 4.267 4.120 -0.001 0.000 0.250 131 V C 2.607 178.369 176.094 -0.553 0.000 1.058 131 V CA 1.510 63.264 62.300 -0.909 0.000 1.064 131 V CB -1.964 29.098 31.823 -1.269 0.000 0.675 131 V HN 0.607 nan 8.190 nan 0.000 0.461 132 G N 1.440 110.166 108.800 -0.123 0.000 2.812 132 G HA2 -0.396 3.563 3.960 -0.001 0.000 0.218 132 G HA3 -0.396 3.563 3.960 -0.001 0.000 0.218 132 G C 1.426 176.471 174.900 0.242 0.000 1.287 132 G CA 2.240 47.429 45.100 0.148 0.000 0.796 132 G HN 0.891 nan 8.290 nan 0.000 0.649 133 Y N -1.119 119.239 120.300 0.096 0.000 2.286 133 Y HA 0.264 4.813 4.550 -0.001 0.000 0.293 133 Y C 2.633 178.581 175.900 0.080 0.000 1.124 133 Y CA 0.837 58.995 58.100 0.097 0.000 1.178 133 Y CB -0.637 37.877 38.460 0.091 0.000 1.010 133 Y HN 0.065 nan 8.280 nan 0.000 0.536 134 M N 0.673 120.167 119.600 -0.177 0.000 2.539 134 M HA -0.134 4.345 4.480 -0.001 0.000 0.261 134 M C 0.854 177.213 176.300 0.098 0.000 1.069 134 M CA 1.406 56.649 55.300 -0.096 0.000 1.081 134 M CB -1.350 31.182 32.600 -0.112 0.000 1.412 134 M HN 0.614 nan 8.290 nan 0.000 0.482 135 H N -1.751 117.200 119.070 -0.198 0.000 2.705 135 H HA 0.294 4.849 4.556 -0.001 0.000 0.269 135 H C 1.845 176.760 175.328 -0.690 0.000 0.998 135 H CA 0.327 56.158 56.048 -0.362 0.000 1.193 135 H CB 0.625 30.226 29.762 -0.267 0.000 1.485 135 H HN 0.345 nan 8.280 nan 0.000 0.521 136 A N 1.095 123.825 122.820 -0.151 0.000 1.969 136 A HA -0.098 4.221 4.320 -0.001 0.000 0.218 136 A C 2.438 179.959 177.584 -0.105 0.000 1.169 136 A CA 0.947 53.041 52.037 0.095 0.000 0.635 136 A CB -0.660 18.504 19.000 0.273 0.000 0.810 136 A HN 0.151 nan 8.150 nan 0.000 0.445 137 V N -0.019 119.779 119.914 -0.193 0.000 2.332 137 V HA -0.237 3.882 4.120 -0.001 0.000 0.248 137 V C 2.193 178.024 176.094 -0.438 0.000 1.055 137 V CA 1.832 63.926 62.300 -0.342 0.000 1.038 137 V CB -0.630 31.021 31.823 -0.287 0.000 0.651 137 V HN 0.633 nan 8.190 nan 0.000 0.450 138 I N -0.652 119.630 120.570 -0.480 0.000 3.454 138 I HA -0.136 4.034 4.170 -0.001 0.000 0.297 138 I C 1.453 177.354 176.117 -0.359 0.000 1.298 138 I CA 0.715 61.749 61.300 -0.443 0.000 1.297 138 I CB -0.130 37.556 38.000 -0.523 0.000 1.017 138 I HN 0.215 nan 8.210 nan 0.000 0.528 139 F N -0.183 119.726 119.950 -0.068 0.000 2.622 139 F HA 0.249 4.775 4.527 -0.001 0.000 0.288 139 F C 2.367 178.144 175.800 -0.039 0.000 1.120 139 F CA 0.433 58.418 58.000 -0.025 0.000 1.423 139 F CB -0.819 38.180 39.000 -0.003 0.000 1.127 139 F HN 0.026 nan 8.300 nan 0.000 0.588 140 A N -0.216 122.599 122.820 -0.008 0.000 2.066 140 A HA -0.006 4.314 4.320 -0.001 0.000 0.218 140 A C 2.291 179.944 177.584 0.115 0.000 1.157 140 A CA 1.325 53.343 52.037 -0.031 0.000 0.670 140 A CB -0.948 17.721 19.000 -0.551 0.000 0.804 140 A HN 0.142 nan 8.150 nan 0.000 0.453 141 V N 0.473 120.408 119.914 0.035 0.000 2.244 141 V HA -0.143 3.976 4.120 -0.001 0.000 0.244 141 V C -0.066 176.128 176.094 0.166 0.000 1.042 141 V CA 2.491 64.854 62.300 0.106 0.000 1.006 141 V CB -1.331 30.497 31.823 0.009 0.000 0.641 141 V HN 0.325 nan 8.190 nan 0.000 0.446 142 P HA -0.299 nan 4.420 nan 0.000 0.219 142 P C 1.666 179.038 177.300 0.121 0.000 1.158 142 P CA 2.535 65.675 63.100 0.066 0.000 0.895 142 P CB -0.214 31.531 31.700 0.074 0.000 0.792 143 A N -1.030 121.885 122.820 0.158 0.000 1.859 143 A HA -0.295 4.024 4.320 -0.001 0.000 0.218 143 A C 2.310 180.030 177.584 0.228 0.000 1.209 143 A CA 2.283 54.419 52.037 0.164 0.000 0.639 143 A CB -2.108 16.998 19.000 0.178 0.000 0.835 143 A HN 0.229 nan 8.150 nan 0.000 0.450 144 Y N 0.301 120.686 120.300 0.142 0.000 2.069 144 Y HA -0.241 4.308 4.550 -0.001 0.000 0.278 144 Y C 1.995 178.025 175.900 0.216 0.000 1.175 144 Y CA 1.712 59.925 58.100 0.188 0.000 1.134 144 Y CB -0.716 37.844 38.460 0.168 0.000 0.965 144 Y HN 0.192 nan 8.280 nan 0.000 0.498 145 L N 0.571 122.185 121.223 0.653 0.000 2.211 145 L HA -0.263 4.076 4.340 -0.001 0.000 0.216 145 L C 2.506 179.417 176.870 0.068 0.000 1.092 145 L CA 1.877 56.917 54.840 0.332 0.000 0.767 145 L CB -1.387 40.673 42.059 0.001 0.000 0.894 145 L HN 0.563 nan 8.230 nan 0.000 0.437 146 L N -0.980 120.286 121.223 0.073 0.000 2.023 146 L HA -0.221 4.118 4.340 -0.001 0.000 0.205 146 L C 2.604 179.466 176.870 -0.013 0.000 1.073 146 L CA 1.794 56.638 54.840 0.008 0.000 0.745 146 L CB -1.088 40.997 42.059 0.042 0.000 0.900 146 L HN 0.280 nan 8.230 nan 0.000 0.435 147 F N 1.584 121.452 119.950 -0.137 0.000 2.045 147 F HA -0.397 4.129 4.527 -0.001 0.000 0.297 147 F C 2.778 178.466 175.800 -0.186 0.000 1.114 147 F CA 2.704 60.585 58.000 -0.199 0.000 1.207 147 F CB -0.740 38.031 39.000 -0.380 0.000 0.964 147 F HN 0.343 nan 8.300 nan 0.000 0.486 148 Q N 0.828 120.290 119.800 -0.564 0.000 2.082 148 Q HA -0.329 4.010 4.340 -0.001 0.000 0.211 148 Q C 2.278 178.127 176.000 -0.251 0.000 1.002 148 Q CA 2.356 57.897 55.803 -0.437 0.000 0.868 148 Q CB -0.710 28.084 28.738 0.094 0.000 0.931 148 Q HN 0.644 nan 8.270 nan 0.000 0.414 149 A N 1.004 123.713 122.820 -0.185 0.000 1.848 149 A HA -0.269 4.051 4.320 -0.001 0.000 0.217 149 A C 2.073 179.619 177.584 -0.063 0.000 1.220 149 A CA 1.978 53.956 52.037 -0.098 0.000 0.645 149 A CB -1.380 17.558 19.000 -0.104 0.000 0.842 149 A HN 0.600 nan 8.150 nan 0.000 0.451 150 L N -0.696 120.463 121.223 -0.106 0.000 1.989 150 L HA -0.145 4.194 4.340 -0.001 0.000 0.211 150 L C 2.203 178.983 176.870 -0.150 0.000 1.071 150 L CA 3.018 57.806 54.840 -0.088 0.000 0.749 150 L CB -0.638 41.395 42.059 -0.044 0.000 0.890 150 L HN 0.529 nan 8.230 nan 0.000 0.431 151 R N -0.520 119.770 120.500 -0.351 0.000 1.852 151 R HA 0.116 4.455 4.340 -0.001 0.000 0.161 151 R C 2.370 178.486 176.300 -0.307 0.000 1.756 151 R CA 1.554 57.434 56.100 -0.366 0.000 1.480 151 R CB -1.248 28.724 30.300 -0.547 0.000 0.995 151 R HN 0.421 nan 8.270 nan 0.000 0.490 152 S N -0.612 114.806 115.700 -0.470 0.000 2.445 152 S HA -0.291 4.178 4.470 -0.001 0.000 0.293 152 S C 1.901 176.514 174.600 0.022 0.000 1.163 152 S CA 2.226 60.347 58.200 -0.132 0.000 1.287 152 S CB -0.732 62.434 63.200 -0.056 0.000 1.234 152 S HN 0.374 nan 8.310 nan 0.000 0.446 153 F N 0.850 120.707 119.950 -0.155 0.000 2.074 153 F HA 0.075 4.602 4.527 -0.001 0.000 0.290 153 F C 2.982 178.730 175.800 -0.086 0.000 1.118 153 F CA 1.800 59.750 58.000 -0.084 0.000 1.199 153 F CB -1.357 37.609 39.000 -0.057 0.000 1.012 153 F HN 0.231 nan 8.300 nan 0.000 0.472 154 T N -0.856 113.755 114.554 0.095 0.000 2.590 154 T HA -0.134 4.215 4.350 -0.001 0.000 0.257 154 T C -0.465 174.209 174.700 -0.043 0.000 1.080 154 T CA 1.540 63.650 62.100 0.016 0.000 1.180 154 T CB -0.592 68.278 68.868 0.002 0.000 0.865 154 T HN 0.282 nan 8.240 nan 0.000 0.403 155 D N -0.167 120.191 120.400 -0.070 0.000 3.515 155 D HA 0.040 4.679 4.640 -0.001 0.000 0.247 155 D C 0.844 177.106 176.300 -0.063 0.000 1.084 155 D CA 0.433 54.383 54.000 -0.083 0.000 1.030 155 D CB -1.410 39.341 40.800 -0.082 0.000 0.946 155 D HN 0.558 nan 8.370 nan 0.000 0.420 156 G N 1.171 109.947 108.800 -0.040 0.000 4.637 156 G HA2 -0.491 3.468 3.960 -0.001 0.000 0.359 156 G HA3 -0.491 3.468 3.960 -0.001 0.000 0.359 156 G C 1.161 176.053 174.900 -0.013 0.000 1.577 156 G CA 1.460 46.555 45.100 -0.007 0.000 1.463 156 G HN 0.509 nan 8.290 nan 0.000 0.849 157 M N -0.064 119.505 119.600 -0.052 0.000 2.906 157 M HA 0.330 4.809 4.480 -0.001 0.000 0.252 157 M C 0.841 177.038 176.300 -0.172 0.000 1.359 157 M CA 1.633 56.873 55.300 -0.101 0.000 1.239 157 M CB 0.536 33.025 32.600 -0.186 0.000 1.229 157 M HN 1.147 nan 8.290 nan 0.000 0.547 158 S N 1.112 116.706 115.700 -0.176 0.000 2.944 158 S HA 0.262 4.732 4.470 -0.001 0.000 0.151 158 S C -1.210 173.306 174.600 -0.139 0.000 0.679 158 S CA -0.836 57.271 58.200 -0.155 0.000 0.788 158 S CB -0.640 62.449 63.200 -0.186 0.000 1.439 158 S HN 0.267 nan 8.310 nan 0.000 0.533 159 L N 2.208 123.370 121.223 -0.102 0.000 2.470 159 L HA 0.651 4.990 4.340 -0.001 0.000 0.253 159 L C 0.372 177.214 176.870 -0.046 0.000 1.163 159 L CA 0.115 54.910 54.840 -0.076 0.000 0.932 159 L CB 1.019 43.033 42.059 -0.074 0.000 1.213 159 L HN 0.763 nan 8.230 nan 0.000 0.485 160 T N 1.839 116.363 114.554 -0.050 0.000 3.467 160 T HA 0.079 4.429 4.350 -0.001 0.000 0.232 160 T C 1.366 176.087 174.700 0.034 0.000 0.876 160 T CA 0.255 62.339 62.100 -0.028 0.000 0.939 160 T CB -0.389 68.420 68.868 -0.097 0.000 1.165 160 T HN 0.702 nan 8.240 nan 0.000 0.615 161 K N 1.349 121.812 120.400 0.104 0.000 2.097 161 K HA 0.027 4.346 4.320 -0.001 0.000 0.205 161 K C -1.054 175.674 176.600 0.214 0.000 1.050 161 K CA 0.826 57.221 56.287 0.181 0.000 0.938 161 K CB -0.393 32.280 32.500 0.288 0.000 0.718 161 K HN 0.303 nan 8.250 nan 0.000 0.442 162 P HA -0.169 nan 4.420 nan 0.000 0.229 162 P C 0.047 177.454 177.300 0.178 0.000 1.147 162 P CA 0.929 64.173 63.100 0.240 0.000 0.766 162 P CB 0.010 31.912 31.700 0.336 0.000 0.775 163 A N 0.732 123.622 122.820 0.117 0.000 1.861 163 A HA -0.149 4.170 4.320 -0.001 0.000 0.214 163 A C 1.897 179.498 177.584 0.028 0.000 1.322 163 A CA 1.766 53.847 52.037 0.073 0.000 0.601 163 A CB -1.394 17.609 19.000 0.005 0.000 0.966 163 A HN 0.048 nan 8.150 nan 0.000 0.471 164 M N 0.284 119.872 119.600 -0.019 0.000 2.521 164 M HA -0.069 4.410 4.480 -0.001 0.000 0.260 164 M C 1.770 178.103 176.300 0.055 0.000 1.068 164 M CA 1.254 56.520 55.300 -0.056 0.000 1.060 164 M CB -2.209 30.412 32.600 0.035 0.000 1.398 164 M HN 0.265 nan 8.290 nan 0.000 0.473 165 V N 1.779 121.711 119.914 0.030 0.000 2.275 165 V HA -0.160 3.959 4.120 -0.001 0.000 0.215 165 V C 2.238 178.333 176.094 0.002 0.000 1.008 165 V CA 1.561 63.837 62.300 -0.041 0.000 1.036 165 V CB -0.385 31.301 31.823 -0.227 0.000 0.663 165 V HN 0.473 nan 8.190 nan 0.000 0.468 166 I N 0.684 121.268 120.570 0.023 0.000 2.908 166 I HA -0.115 4.055 4.170 -0.001 0.000 0.271 166 I C 1.763 177.914 176.117 0.057 0.000 1.275 166 I CA 1.626 62.961 61.300 0.057 0.000 1.446 166 I CB -1.310 36.806 38.000 0.193 0.000 1.092 166 I HN 0.538 nan 8.210 nan 0.000 0.482 167 G N 0.494 109.322 108.800 0.047 0.000 2.654 167 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.215 167 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.215 167 G C 1.275 176.187 174.900 0.020 0.000 1.310 167 G CA 0.320 45.415 45.100 -0.008 0.000 0.866 167 G HN 0.265 nan 8.290 nan 0.000 0.558 168 F N 1.206 121.159 119.950 0.005 0.000 2.085 168 F HA -0.155 4.371 4.527 -0.001 0.000 0.299 168 F C 2.773 178.568 175.800 -0.007 0.000 1.096 168 F CA 0.736 58.735 58.000 -0.002 0.000 1.227 168 F CB -0.375 38.622 39.000 -0.005 0.000 0.983 168 F HN 0.001 nan 8.300 nan 0.000 0.482 169 I N -0.150 120.538 120.570 0.196 0.000 2.127 169 I HA -0.255 3.914 4.170 -0.001 0.000 0.241 169 I C 2.727 178.890 176.117 0.077 0.000 1.075 169 I CA 1.567 62.922 61.300 0.090 0.000 1.334 169 I CB -2.108 35.905 38.000 0.022 0.000 1.040 169 I HN 0.190 nan 8.210 nan 0.000 0.405 170 G N 2.431 111.267 108.800 0.060 0.000 2.838 170 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.215 170 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.215 170 G C 1.747 176.674 174.900 0.045 0.000 1.327 170 G CA 1.584 46.707 45.100 0.040 0.000 0.802 170 G HN 0.535 nan 8.290 nan 0.000 0.658 171 L N -0.677 120.567 121.223 0.035 0.000 2.034 171 L HA -0.139 4.201 4.340 -0.001 0.000 0.217 171 L C 2.584 179.484 176.870 0.050 0.000 1.077 171 L CA 1.818 56.673 54.840 0.024 0.000 0.769 171 L CB -0.668 41.399 42.059 0.012 0.000 0.890 171 L HN 0.256 nan 8.230 nan 0.000 0.435 172 L N 0.623 121.893 121.223 0.079 0.000 1.941 172 L HA -0.254 4.085 4.340 -0.001 0.000 0.224 172 L C 2.674 179.588 176.870 0.075 0.000 1.081 172 L CA 2.467 57.352 54.840 0.076 0.000 0.784 172 L CB -1.061 41.047 42.059 0.082 0.000 0.894 172 L HN 0.457 nan 8.230 nan 0.000 0.436 173 L N -0.300 120.975 121.223 0.086 0.000 2.349 173 L HA -0.230 4.109 4.340 -0.001 0.000 0.220 173 L C 2.234 179.165 176.870 0.102 0.000 1.130 173 L CA 0.685 55.592 54.840 0.112 0.000 0.791 173 L CB -0.585 41.570 42.059 0.159 0.000 0.918 173 L HN 0.489 nan 8.230 nan 0.000 0.444 174 N N 0.444 119.191 118.700 0.078 0.000 2.028 174 N HA -0.190 4.549 4.740 -0.001 0.000 0.194 174 N C 1.852 177.413 175.510 0.085 0.000 1.050 174 N CA 1.388 54.476 53.050 0.062 0.000 0.848 174 N CB -0.094 38.415 38.487 0.037 0.000 1.038 174 N HN 0.199 nan 8.380 nan 0.000 0.423 175 I N 1.836 122.457 120.570 0.085 0.000 2.077 175 I HA -0.294 3.876 4.170 -0.001 0.000 0.231 175 I C -0.774 175.444 176.117 0.167 0.000 1.011 175 I CA 1.532 62.901 61.300 0.115 0.000 1.304 175 I CB -2.021 36.033 38.000 0.089 0.000 1.019 175 I HN 0.174 nan 8.210 nan 0.000 0.388 176 P HA -0.217 nan 4.420 nan 0.000 0.218 176 P C 1.815 179.268 177.300 0.254 0.000 1.154 176 P CA 1.917 65.117 63.100 0.166 0.000 0.872 176 P CB -0.241 31.516 31.700 0.096 0.000 0.790 177 L N -0.808 120.527 121.223 0.187 0.000 2.217 177 L HA -0.042 4.298 4.340 -0.001 0.000 0.211 177 L C 2.276 179.283 176.870 0.228 0.000 1.107 177 L CA 1.502 56.448 54.840 0.176 0.000 0.783 177 L CB -1.704 40.373 42.059 0.030 0.000 0.919 177 L HN 0.074 nan 8.230 nan 0.000 0.442 178 N N -0.965 117.857 118.700 0.203 0.000 2.173 178 N HA -0.202 4.537 4.740 -0.001 0.000 0.184 178 N C 1.634 177.298 175.510 0.255 0.000 1.025 178 N CA 0.988 54.153 53.050 0.191 0.000 0.852 178 N CB -0.256 38.311 38.487 0.134 0.000 0.998 178 N HN 0.363 nan 8.380 nan 0.000 0.427 179 W N 2.904 124.277 121.300 0.120 0.000 2.285 179 W HA -0.236 4.423 4.660 -0.001 0.000 0.333 179 W C 2.177 178.778 176.519 0.136 0.000 1.290 179 W CA 1.479 58.898 57.345 0.123 0.000 1.234 179 W CB -0.738 28.780 29.460 0.098 0.000 1.154 179 W HN -0.024 nan 8.180 nan 0.000 0.463 180 I N 0.176 121.025 120.570 0.466 0.000 2.069 180 I HA -0.351 3.818 4.170 -0.001 0.000 0.237 180 I C 2.358 178.454 176.117 -0.035 0.000 1.053 180 I CA 2.257 63.660 61.300 0.173 0.000 1.311 180 I CB -1.416 36.878 38.000 0.491 0.000 1.030 180 I HN 0.051 nan 8.210 nan 0.000 0.398 181 F N 0.655 120.607 119.950 0.003 0.000 2.113 181 F HA -0.149 4.378 4.527 -0.001 0.000 0.297 181 F C 2.548 178.322 175.800 -0.044 0.000 1.103 181 F CA 1.468 59.456 58.000 -0.020 0.000 1.248 181 F CB -1.139 37.862 39.000 0.003 0.000 0.999 181 F HN -0.092 nan 8.300 nan 0.000 0.475 182 V N -1.879 118.121 119.914 0.143 0.000 2.490 182 V HA -0.263 3.856 4.120 -0.001 0.000 0.250 182 V C 1.260 177.347 176.094 -0.011 0.000 1.061 182 V CA 1.908 64.233 62.300 0.041 0.000 1.064 182 V CB -0.698 31.135 31.823 0.018 0.000 0.670 182 V HN 0.471 nan 8.190 nan 0.000 0.461 183 Y N -1.076 119.047 120.300 -0.294 0.000 2.368 183 Y HA 0.351 4.900 4.550 -0.001 0.000 0.086 183 Y C 2.082 177.539 175.900 -0.739 0.000 0.965 183 Y CA 0.025 57.843 58.100 -0.470 0.000 1.786 183 Y CB 0.203 38.337 38.460 -0.543 0.000 1.100 183 Y HN 0.091 nan 8.280 nan 0.000 0.196 184 G N 4.068 112.079 108.800 -1.315 0.000 2.550 184 G HA2 -0.435 3.524 3.960 -0.001 0.000 0.359 184 G HA3 -0.435 3.524 3.960 -0.001 0.000 0.359 184 G C 1.055 175.246 174.900 -1.181 0.000 0.811 184 G CA 1.517 45.276 45.100 -2.234 0.000 0.701 184 G HN 0.457 nan 8.290 nan 0.000 0.535 185 K N -0.305 119.655 120.400 -0.734 0.000 3.169 185 K HA -0.353 3.966 4.320 -0.001 0.000 0.200 185 K C 1.096 177.600 176.600 -0.160 0.000 0.740 185 K CA 2.150 58.196 56.287 -0.402 0.000 0.792 185 K CB -1.676 30.611 32.500 -0.356 0.000 0.704 185 K HN 0.872 nan 8.250 nan 0.000 0.814 186 F N 1.100 121.002 119.950 -0.080 0.000 2.175 186 F HA -0.324 4.202 4.527 -0.001 0.000 0.125 186 F C 1.658 177.438 175.800 -0.033 0.000 1.042 186 F CA 0.559 58.570 58.000 0.018 0.000 0.724 186 F CB -1.463 37.653 39.000 0.193 0.000 0.611 186 F HN 0.728 nan 8.300 nan 0.000 0.788 187 G N 0.558 109.405 108.800 0.079 0.000 3.031 187 G HA2 0.202 4.161 3.960 -0.001 0.000 0.198 187 G HA3 0.202 4.161 3.960 -0.001 0.000 0.198 187 G C -0.210 174.594 174.900 -0.160 0.000 1.242 187 G CA -0.326 44.747 45.100 -0.046 0.000 0.878 187 G HN 1.755 nan 8.290 nan 0.000 0.493 188 A N 0.220 122.871 122.820 -0.281 0.000 1.668 188 A HA 0.590 4.909 4.320 -0.001 0.000 0.256 188 A C -3.324 174.031 177.584 -0.382 0.000 0.976 188 A CA 0.188 52.045 52.037 -0.300 0.000 0.862 188 A CB 0.863 19.684 19.000 -0.298 0.000 0.979 188 A HN 0.650 nan 8.150 nan 0.000 0.330 189 P HA 0.520 nan 4.420 nan 0.000 0.282 189 P C -0.887 176.339 177.300 -0.123 0.000 1.262 189 P CA 0.435 63.398 63.100 -0.228 0.000 0.773 189 P CB 1.391 32.950 31.700 -0.235 0.000 0.879 190 E N 2.424 122.581 120.200 -0.071 0.000 2.317 190 E HA 0.341 4.690 4.350 -0.001 0.000 0.270 190 E C 0.148 176.752 176.600 0.006 0.000 0.885 190 E CA -1.349 55.045 56.400 -0.009 0.000 0.760 190 E CB 1.047 30.767 29.700 0.033 0.000 1.227 190 E HN 0.233 nan 8.360 nan 0.000 0.434 191 L N 1.387 122.613 121.223 0.006 0.000 2.557 191 L HA -0.092 4.248 4.340 -0.001 0.000 0.308 191 L C 1.995 178.848 176.870 -0.029 0.000 1.283 191 L CA 1.577 56.408 54.840 -0.015 0.000 0.847 191 L CB -0.129 41.926 42.059 -0.006 0.000 1.088 191 L HN 0.921 nan 8.230 nan 0.000 0.537 192 G N 1.644 110.402 108.800 -0.070 0.000 2.553 192 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.218 192 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.218 192 G C 1.321 176.210 174.900 -0.019 0.000 1.195 192 G CA 0.853 45.910 45.100 -0.072 0.000 0.779 192 G HN 0.931 nan 8.290 nan 0.000 0.577 193 G N -0.406 108.388 108.800 -0.010 0.000 2.509 193 G HA2 0.030 3.990 3.960 -0.001 0.000 0.218 193 G HA3 0.030 3.990 3.960 -0.001 0.000 0.218 193 G C 1.586 176.491 174.900 0.009 0.000 1.124 193 G CA 0.994 46.099 45.100 0.008 0.000 0.776 193 G HN 0.383 nan 8.290 nan 0.000 0.547 194 V N 0.816 120.735 119.914 0.008 0.000 2.719 194 V HA 0.061 4.180 4.120 -0.001 0.000 0.252 194 V C 2.853 178.968 176.094 0.035 0.000 1.065 194 V CA 1.681 63.987 62.300 0.010 0.000 1.086 194 V CB -0.175 31.666 31.823 0.031 0.000 0.700 194 V HN 0.400 nan 8.190 nan 0.000 0.467 195 G N -0.590 108.239 108.800 0.049 0.000 2.539 195 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.215 195 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.215 195 G C 1.800 176.732 174.900 0.053 0.000 1.141 195 G CA 0.849 45.997 45.100 0.080 0.000 0.806 195 G HN 0.635 nan 8.290 nan 0.000 0.533 196 C N 0.837 120.165 119.300 0.047 0.000 2.453 196 C HA 0.201 4.660 4.460 -0.001 0.000 0.277 196 C C 2.983 178.009 174.990 0.061 0.000 1.262 196 C CA 1.264 60.316 59.018 0.056 0.000 1.718 196 C CB -1.018 26.767 27.740 0.074 0.000 2.031 196 C HN 0.334 nan 8.230 nan 0.000 0.480 197 G N 0.568 109.414 108.800 0.077 0.000 2.587 197 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.217 197 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.217 197 G C 1.742 176.635 174.900 -0.011 0.000 1.240 197 G CA 1.449 46.607 45.100 0.097 0.000 0.794 197 G HN 0.552 nan 8.290 nan 0.000 0.580 198 V N 1.562 121.446 119.914 -0.050 0.000 2.913 198 V HA 0.001 4.120 4.120 -0.001 0.000 0.260 198 V C 3.180 179.197 176.094 -0.129 0.000 1.098 198 V CA 1.687 63.904 62.300 -0.138 0.000 1.121 198 V CB -0.611 31.092 31.823 -0.199 0.000 0.714 198 V HN 0.537 nan 8.190 nan 0.000 0.487 199 A N -0.240 122.552 122.820 -0.047 0.000 1.869 199 A HA -0.299 4.020 4.320 -0.001 0.000 0.218 199 A C 2.371 179.928 177.584 -0.044 0.000 1.203 199 A CA 2.969 54.991 52.037 -0.025 0.000 0.638 199 A CB -1.130 17.873 19.000 0.005 0.000 0.831 199 A HN 0.509 nan 8.150 nan 0.000 0.450 200 T N -0.117 114.397 114.554 -0.066 0.000 2.904 200 T HA 0.162 4.511 4.350 -0.001 0.000 0.267 200 T C 2.189 176.859 174.700 -0.050 0.000 1.059 200 T CA 1.189 63.239 62.100 -0.084 0.000 1.137 200 T CB -0.440 68.317 68.868 -0.184 0.000 0.879 200 T HN 0.641 nan 8.240 nan 0.000 0.467 201 A N 2.286 125.060 122.820 -0.076 0.000 1.884 201 A HA -0.130 4.189 4.320 -0.001 0.000 0.219 201 A C 2.148 179.801 177.584 0.116 0.000 1.197 201 A CA 1.466 53.487 52.037 -0.027 0.000 0.637 201 A CB -0.756 18.185 19.000 -0.098 0.000 0.827 201 A HN 0.408 nan 8.150 nan 0.000 0.450 202 I N -0.048 120.516 120.570 -0.010 0.000 2.493 202 I HA -0.137 4.032 4.170 -0.001 0.000 0.254 202 I C 2.438 178.661 176.117 0.176 0.000 1.160 202 I CA 0.857 62.183 61.300 0.043 0.000 1.445 202 I CB -1.379 36.554 38.000 -0.112 0.000 1.086 202 I HN 0.123 nan 8.210 nan 0.000 0.433 203 V N 1.115 121.092 119.914 0.106 0.000 2.453 203 V HA -0.300 3.819 4.120 -0.001 0.000 0.252 203 V C 2.406 178.583 176.094 0.138 0.000 1.068 203 V CA 2.132 64.484 62.300 0.087 0.000 1.070 203 V CB -1.006 30.824 31.823 0.011 0.000 0.664 203 V HN 0.568 nan 8.190 nan 0.000 0.461 204 Y N -1.600 118.710 120.300 0.018 0.000 2.511 204 Y HA -0.014 4.535 4.550 -0.001 0.000 0.279 204 Y C 1.825 177.798 175.900 0.122 0.000 1.157 204 Y CA -0.180 57.944 58.100 0.039 0.000 1.300 204 Y CB -0.509 37.967 38.460 0.027 0.000 1.052 204 Y HN 0.325 nan 8.280 nan 0.000 0.529 205 W N 2.719 123.920 121.300 -0.165 0.000 2.309 205 W HA -0.272 4.387 4.660 -0.001 0.000 0.326 205 W C 2.412 178.803 176.519 -0.213 0.000 1.222 205 W CA 3.536 60.720 57.345 -0.270 0.000 1.237 205 W CB -1.048 28.339 29.460 -0.121 0.000 1.180 205 W HN 0.263 nan 8.180 nan 0.000 0.456 206 I N -0.671 119.852 120.570 -0.078 0.000 2.118 206 I HA -0.394 3.776 4.170 -0.001 0.000 0.241 206 I C 2.400 178.429 176.117 -0.148 0.000 1.070 206 I CA 2.503 63.650 61.300 -0.255 0.000 1.327 206 I CB -1.120 36.822 38.000 -0.097 0.000 1.034 206 I HN 0.167 nan 8.210 nan 0.000 0.405 207 M N 1.210 120.802 119.600 -0.012 0.000 2.226 207 M HA -0.260 4.219 4.480 -0.001 0.000 0.257 207 M C 2.527 178.910 176.300 0.138 0.000 1.070 207 M CA 2.731 58.131 55.300 0.166 0.000 1.087 207 M CB -0.770 31.878 32.600 0.081 0.000 1.278 207 M HN 0.522 nan 8.290 nan 0.000 0.426 208 L N 0.318 121.501 121.223 -0.067 0.000 2.043 208 L HA -0.232 4.107 4.340 -0.001 0.000 0.212 208 L C 2.369 179.089 176.870 -0.251 0.000 1.075 208 L CA 1.323 56.053 54.840 -0.183 0.000 0.752 208 L CB -0.431 41.426 42.059 -0.336 0.000 0.891 208 L HN 0.394 nan 8.230 nan 0.000 0.432 209 L N 0.163 121.208 121.223 -0.298 0.000 1.932 209 L HA -0.227 4.112 4.340 -0.001 0.000 0.217 209 L C 2.612 179.339 176.870 -0.239 0.000 1.077 209 L CA 2.052 56.706 54.840 -0.310 0.000 0.765 209 L CB -1.110 40.647 42.059 -0.502 0.000 0.888 209 L HN 0.350 nan 8.230 nan 0.000 0.433 210 L N 0.274 121.346 121.223 -0.252 0.000 2.137 210 L HA -0.240 4.099 4.340 -0.001 0.000 0.213 210 L C 2.641 179.233 176.870 -0.463 0.000 1.085 210 L CA 1.463 56.175 54.840 -0.213 0.000 0.760 210 L CB -2.105 39.889 42.059 -0.110 0.000 0.893 210 L HN 0.453 nan 8.230 nan 0.000 0.434 211 L N 0.155 120.855 121.223 -0.871 0.000 1.882 211 L HA -0.180 4.159 4.340 -0.001 0.000 0.222 211 L C 2.430 178.886 176.870 -0.690 0.000 1.095 211 L CA 1.498 55.290 54.840 -1.747 0.000 0.794 211 L CB -1.374 40.064 42.059 -1.034 0.000 0.886 211 L HN 0.104 nan 8.230 nan 0.000 0.429 212 L N -0.913 120.115 121.223 -0.325 0.000 2.040 212 L HA -0.328 4.012 4.340 -0.001 0.000 0.228 212 L C 2.252 179.116 176.870 -0.010 0.000 1.092 212 L CA 2.466 57.245 54.840 -0.102 0.000 0.805 212 L CB -1.115 40.911 42.059 -0.055 0.000 0.905 212 L HN 0.497 nan 8.230 nan 0.000 0.443 213 F N -0.914 118.971 119.950 -0.107 0.000 1.993 213 F HA -0.313 4.213 4.527 -0.001 0.000 0.297 213 F C 2.368 178.241 175.800 0.121 0.000 1.177 213 F CA 2.399 60.393 58.000 -0.010 0.000 1.182 213 F CB -1.053 37.929 39.000 -0.031 0.000 0.958 213 F HN 0.080 nan 8.300 nan 0.000 0.496 214 Y N -0.374 120.052 120.300 0.209 0.000 2.639 214 Y HA -0.252 4.297 4.550 -0.001 0.000 0.289 214 Y C 2.131 178.136 175.900 0.175 0.000 1.155 214 Y CA 0.653 58.866 58.100 0.189 0.000 1.379 214 Y CB -0.003 38.611 38.460 0.256 0.000 0.967 214 Y HN 0.239 nan 8.280 nan 0.000 0.569 215 I N -1.912 118.831 120.570 0.288 0.000 3.098 215 I HA -0.154 4.015 4.170 -0.001 0.000 0.241 215 I C 1.765 177.912 176.117 0.050 0.000 1.081 215 I CA 0.497 61.926 61.300 0.216 0.000 1.487 215 I CB -0.252 37.967 38.000 0.364 0.000 1.366 215 I HN -0.178 nan 8.210 nan 0.000 0.463 216 V N 0.938 120.860 119.914 0.014 0.000 2.594 216 V HA -0.213 3.907 4.120 -0.001 0.000 0.253 216 V C 2.392 178.417 176.094 -0.116 0.000 1.069 216 V CA 2.206 64.481 62.300 -0.041 0.000 1.082 216 V CB -1.229 30.563 31.823 -0.050 0.000 0.680 216 V HN 0.488 nan 8.190 nan 0.000 0.469 217 T N -1.311 113.137 114.554 -0.176 0.000 2.809 217 T HA -0.061 4.288 4.350 -0.001 0.000 0.260 217 T C 1.105 175.692 174.700 -0.188 0.000 1.039 217 T CA 1.201 63.144 62.100 -0.262 0.000 1.141 217 T CB -0.191 68.404 68.868 -0.453 0.000 0.869 217 T HN 0.486 nan 8.240 nan 0.000 0.437 218 S N 1.342 116.946 115.700 -0.160 0.000 3.310 218 S HA -0.168 4.302 4.470 -0.001 0.000 0.381 218 S C 0.817 175.303 174.600 -0.189 0.000 0.908 218 S CA 0.350 58.436 58.200 -0.190 0.000 1.333 218 S CB -0.789 62.292 63.200 -0.198 0.000 0.931 218 S HN 0.597 nan 8.310 nan 0.000 0.570 219 K N 2.407 122.689 120.400 -0.196 0.000 2.640 219 K HA -0.090 4.229 4.320 -0.001 0.000 0.193 219 K C 1.350 177.878 176.600 -0.120 0.000 1.036 219 K CA 1.471 57.682 56.287 -0.127 0.000 0.962 219 K CB -0.368 32.087 32.500 -0.075 0.000 0.791 219 K HN 0.826 nan 8.250 nan 0.000 0.491 220 R N -1.599 118.812 120.500 -0.149 0.000 4.494 220 R HA 0.269 4.608 4.340 -0.001 0.000 0.124 220 R C 0.786 177.020 176.300 -0.110 0.000 1.588 220 R CA -0.660 55.374 56.100 -0.110 0.000 1.083 220 R CB -0.515 29.718 30.300 -0.112 0.000 1.313 220 R HN -0.018 nan 8.270 nan 0.000 0.426 221 L N 1.277 122.419 121.223 -0.136 0.000 2.483 221 L HA 0.370 4.710 4.340 -0.001 0.000 0.159 221 L C 0.884 177.454 176.870 -0.499 0.000 1.273 221 L CA 1.684 56.401 54.840 -0.205 0.000 2.526 221 L CB -0.161 41.831 42.059 -0.113 0.000 2.598 221 L HN 0.820 nan 8.230 nan 0.000 0.766 222 A N -4.429 117.864 122.820 -0.877 0.000 3.416 222 A HA 0.339 4.658 4.320 -0.001 0.000 0.251 222 A C -1.082 175.992 177.584 -0.850 0.000 0.996 222 A CA -0.097 51.535 52.037 -0.675 0.000 0.543 222 A CB -0.502 18.184 19.000 -0.524 0.000 1.711 222 A HN 0.911 nan 8.150 nan 0.000 0.848 223 H N -2.750 116.328 119.070 0.013 0.000 2.976 223 H HA -0.140 4.415 4.556 -0.001 0.000 0.273 223 H C 0.668 176.033 175.328 0.063 0.000 1.259 223 H CA 1.258 57.330 56.048 0.040 0.000 1.122 223 H CB -2.974 26.811 29.762 0.038 0.000 1.298 223 H HN 2.025 nan 8.280 nan 0.000 0.379 224 V N -0.706 119.230 119.914 0.037 0.000 4.410 224 V HA 0.427 4.546 4.120 -0.001 0.000 0.268 224 V C 1.232 177.404 176.094 0.129 0.000 1.081 224 V CA 0.187 62.525 62.300 0.064 0.000 0.733 224 V CB 0.764 32.596 31.823 0.015 0.000 1.170 224 V HN 0.426 nan 8.190 nan 0.000 0.374 225 K N -0.522 119.982 120.400 0.173 0.000 2.168 225 K HA 0.845 5.164 4.320 -0.001 0.000 0.239 225 K C -1.283 175.442 176.600 0.208 0.000 0.999 225 K CA -0.787 55.682 56.287 0.303 0.000 0.900 225 K CB 1.812 34.571 32.500 0.431 0.000 1.111 225 K HN 0.655 nan 8.250 nan 0.000 0.452 226 V N 0.904 120.983 119.914 0.275 0.000 2.769 226 V HA 0.111 4.231 4.120 -0.001 0.000 0.247 226 V C -1.656 174.620 176.094 0.303 0.000 1.794 226 V CA -0.907 61.524 62.300 0.217 0.000 0.860 226 V CB 0.732 32.648 31.823 0.155 0.000 1.327 226 V HN 0.838 nan 8.190 nan 0.000 0.476 227 F N 3.248 123.240 119.950 0.070 0.000 2.060 227 F HA -0.152 4.375 4.527 -0.001 0.000 0.290 227 F C 0.754 176.638 175.800 0.141 0.000 1.068 227 F CA 1.705 59.749 58.000 0.074 0.000 1.020 227 F CB 0.118 39.132 39.000 0.023 0.000 1.490 227 F HN 0.740 nan 8.300 nan 0.000 0.753 228 E N 1.291 121.652 120.200 0.268 0.000 2.334 228 E HA 0.908 5.257 4.350 -0.001 0.000 0.256 228 E C -0.201 176.676 176.600 0.462 0.000 0.958 228 E CA -0.465 56.288 56.400 0.587 0.000 0.821 228 E CB 2.669 32.714 29.700 0.575 0.000 1.269 228 E HN 0.359 nan 8.360 nan 0.000 0.413 229 T N -2.163 112.727 114.554 0.560 0.000 2.681 229 T HA 0.443 4.792 4.350 -0.001 0.000 0.296 229 T C 0.098 174.980 174.700 0.303 0.000 1.157 229 T CA -0.860 61.462 62.100 0.370 0.000 1.025 229 T CB 0.336 69.459 68.868 0.424 0.000 1.441 229 T HN 0.518 nan 8.240 nan 0.000 0.504 230 F N 0.241 120.200 119.950 0.015 0.000 2.023 230 F HA 0.734 5.260 4.527 -0.001 0.000 0.234 230 F C 0.393 176.189 175.800 -0.007 0.000 0.954 230 F CA -0.308 57.687 58.000 -0.009 0.000 1.180 230 F CB -0.677 38.303 39.000 -0.034 0.000 1.932 230 F HN 0.923 nan 8.300 nan 0.000 0.556 231 H N -1.035 117.412 119.070 -1.039 0.000 2.848 231 H HA 0.144 4.700 4.556 -0.001 0.000 0.245 231 H C -0.367 174.522 175.328 -0.732 0.000 1.295 231 H CA -0.139 55.303 56.048 -1.011 0.000 1.575 231 H CB 0.854 30.307 29.762 -0.516 0.000 1.812 231 H HN 0.780 nan 8.280 nan 0.000 0.467 232 K N 1.465 121.634 120.400 -0.385 0.000 2.735 232 K HA 0.192 4.511 4.320 -0.001 0.000 0.197 232 K C -1.715 174.804 176.600 -0.135 0.000 1.468 232 K CA 0.186 56.336 56.287 -0.228 0.000 1.109 232 K CB 0.122 32.505 32.500 -0.195 0.000 1.732 232 K HN 0.156 nan 8.250 nan 0.000 0.541 233 P HA -0.089 nan 4.420 nan 0.000 0.213 233 P C 1.086 178.326 177.300 -0.099 0.000 1.170 233 P CA 1.190 64.257 63.100 -0.054 0.000 0.889 233 P CB 0.080 31.772 31.700 -0.013 0.000 0.782 234 Q N -0.988 118.719 119.800 -0.156 0.000 2.291 234 Q HA -0.107 4.232 4.340 -0.001 0.000 0.206 234 Q C -0.789 175.015 176.000 -0.327 0.000 0.976 234 Q CA 1.598 57.156 55.803 -0.408 0.000 0.875 234 Q CB -1.302 26.783 28.738 -1.088 0.000 0.927 234 Q HN 0.259 nan 8.270 nan 0.000 0.450 235 P HA -0.057 nan 4.420 nan 0.000 0.236 235 P C 0.364 177.550 177.300 -0.189 0.000 1.177 235 P CA 0.943 63.907 63.100 -0.227 0.000 0.773 235 P CB 0.094 31.666 31.700 -0.213 0.000 0.878 236 K N 0.227 120.539 120.400 -0.146 0.000 2.418 236 K HA -0.086 4.234 4.320 -0.001 0.000 0.195 236 K C 1.752 178.305 176.600 -0.078 0.000 1.035 236 K CA 0.704 56.932 56.287 -0.098 0.000 1.003 236 K CB 0.201 32.657 32.500 -0.074 0.000 0.793 236 K HN 0.022 nan 8.250 nan 0.000 0.494 237 E N -0.312 119.821 120.200 -0.112 0.000 2.364 237 E HA -0.046 4.304 4.350 -0.001 0.000 0.196 237 E C 1.094 177.643 176.600 -0.085 0.000 0.990 237 E CA 0.273 56.615 56.400 -0.095 0.000 0.886 237 E CB 0.226 29.841 29.700 -0.141 0.000 0.866 237 E HN 0.082 nan 8.360 nan 0.000 0.493 238 L N 0.722 121.870 121.223 -0.125 0.000 2.554 238 L HA 0.199 4.538 4.340 -0.001 0.000 0.226 238 L C 1.493 178.334 176.870 -0.047 0.000 1.137 238 L CA 0.876 55.649 54.840 -0.112 0.000 0.863 238 L CB 0.161 42.102 42.059 -0.197 0.000 0.985 238 L HN 0.307 nan 8.230 nan 0.000 0.451 239 I N -1.725 118.824 120.570 -0.034 0.000 3.956 239 I HA 0.035 4.204 4.170 -0.001 0.000 0.333 239 I C 2.099 178.269 176.117 0.090 0.000 1.302 239 I CA 0.162 61.510 61.300 0.079 0.000 1.122 239 I CB 0.171 38.164 38.000 -0.011 0.000 1.013 239 I HN 0.155 nan 8.210 nan 0.000 0.405 240 R N 0.174 120.702 120.500 0.047 0.000 2.225 240 R HA 0.118 4.457 4.340 -0.001 0.000 0.194 240 R C 1.857 178.192 176.300 0.057 0.000 0.949 240 R CA 0.338 56.459 56.100 0.035 0.000 1.088 240 R CB 0.247 30.549 30.300 0.002 0.000 1.106 240 R HN 0.064 nan 8.270 nan 0.000 0.566 241 L N 0.142 121.400 121.223 0.058 0.000 2.109 241 L HA 0.008 4.348 4.340 -0.001 0.000 0.207 241 L C 1.808 178.775 176.870 0.162 0.000 1.086 241 L CA 1.503 56.387 54.840 0.074 0.000 0.760 241 L CB -0.738 41.346 42.059 0.041 0.000 0.910 241 L HN 0.154 nan 8.230 nan 0.000 0.437 242 F N 0.166 120.095 119.950 -0.036 0.000 2.128 242 F HA -0.042 4.484 4.527 -0.001 0.000 0.295 242 F C 1.804 177.596 175.800 -0.013 0.000 1.100 242 F CA 0.654 58.640 58.000 -0.023 0.000 1.260 242 F CB -0.173 38.800 39.000 -0.045 0.000 1.009 242 F HN -0.095 nan 8.300 nan 0.000 0.476 243 R N 1.321 121.892 120.500 0.120 0.000 4.556 243 R HA 0.142 4.481 4.340 -0.001 0.000 0.197 243 R C 0.425 176.742 176.300 0.028 0.000 1.791 243 R CA 0.368 56.477 56.100 0.014 0.000 1.526 243 R CB -0.709 29.591 30.300 -0.001 0.000 1.410 243 R HN 0.414 nan 8.270 nan 0.000 0.826 244 L N -1.909 119.331 121.223 0.029 0.000 1.326 244 L HA 0.144 4.483 4.340 -0.001 0.000 0.115 244 L C 1.203 178.070 176.870 -0.005 0.000 1.379 244 L CA 1.324 56.176 54.840 0.021 0.000 1.199 244 L CB -0.788 41.297 42.059 0.043 0.000 2.485 244 L HN 0.432 nan 8.230 nan 0.000 0.472 245 G N 0.260 109.061 108.800 0.002 0.000 2.448 245 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.219 245 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.219 245 G C 1.245 176.073 174.900 -0.119 0.000 1.127 245 G CA 1.135 46.210 45.100 -0.042 0.000 0.766 245 G HN 0.422 nan 8.290 nan 0.000 0.552 246 F N 2.329 122.087 119.950 -0.320 0.000 2.039 246 F HA 0.077 4.604 4.527 -0.001 0.000 0.294 246 F C -0.294 175.275 175.800 -0.384 0.000 1.130 246 F CA 0.883 58.642 58.000 -0.402 0.000 1.189 246 F CB -0.695 38.052 39.000 -0.422 0.000 0.983 246 F HN 0.047 nan 8.300 nan 0.000 0.471 247 P HA -0.147 nan 4.420 nan 0.000 0.229 247 P C 1.313 178.417 177.300 -0.327 0.000 1.150 247 P CA 1.749 64.639 63.100 -0.350 0.000 0.765 247 P CB -0.235 31.357 31.700 -0.181 0.000 0.783 248 V N -4.127 115.663 119.914 -0.207 0.000 2.695 248 V HA 0.221 4.341 4.120 -0.001 0.000 0.230 248 V C 2.135 178.181 176.094 -0.079 0.000 1.110 248 V CA 0.863 63.114 62.300 -0.081 0.000 1.159 248 V CB -1.588 30.224 31.823 -0.019 0.000 0.875 248 V HN -0.007 nan 8.190 nan 0.000 0.502 249 A N 1.515 124.247 122.820 -0.146 0.000 1.859 249 A HA -0.211 4.108 4.320 -0.001 0.000 0.218 249 A C 2.538 180.032 177.584 -0.150 0.000 1.242 249 A CA 4.132 56.073 52.037 -0.160 0.000 0.661 249 A CB -1.662 17.206 19.000 -0.221 0.000 0.842 249 A HN 1.366 nan 8.150 nan 0.000 0.455 250 A N -0.663 121.909 122.820 -0.413 0.000 1.885 250 A HA 0.007 4.326 4.320 -0.001 0.000 0.215 250 A C 2.567 180.052 177.584 -0.166 0.000 1.255 250 A CA 3.522 55.247 52.037 -0.520 0.000 0.692 250 A CB -1.677 16.617 19.000 -1.177 0.000 0.842 250 A HN 1.917 nan 8.150 nan 0.000 0.465 251 A N -0.837 121.841 122.820 -0.236 0.000 2.766 251 A HA -0.310 4.009 4.320 -0.001 0.000 0.234 251 A C 2.089 179.669 177.584 -0.006 0.000 1.284 251 A CA 2.329 54.426 52.037 0.100 0.000 1.067 251 A CB -1.464 17.653 19.000 0.195 0.000 0.598 251 A HN 0.824 nan 8.150 nan 0.000 0.486 252 L N -2.167 119.118 121.223 0.103 0.000 1.976 252 L HA -0.265 4.074 4.340 -0.001 0.000 0.223 252 L C 2.701 179.566 176.870 -0.009 0.000 1.081 252 L CA 2.503 57.378 54.840 0.058 0.000 0.784 252 L CB -0.551 41.711 42.059 0.338 0.000 0.896 252 L HN 0.631 nan 8.230 nan 0.000 0.438 253 F N -2.089 117.861 119.950 -0.001 0.000 2.407 253 F HA -0.191 4.335 4.527 -0.001 0.000 0.299 253 F C 2.199 178.026 175.800 0.046 0.000 1.097 253 F CA 0.661 58.673 58.000 0.021 0.000 1.422 253 F CB -0.270 38.766 39.000 0.060 0.000 1.067 253 F HN 0.023 nan 8.300 nan 0.000 0.539 254 F N 1.507 121.453 119.950 -0.006 0.000 2.171 254 F HA -0.231 4.295 4.527 -0.001 0.000 0.300 254 F C 2.651 178.364 175.800 -0.145 0.000 1.090 254 F CA 1.437 59.378 58.000 -0.098 0.000 1.293 254 F CB -0.196 38.690 39.000 -0.190 0.000 1.013 254 F HN 0.016 nan 8.300 nan 0.000 0.486 255 E N -0.025 120.094 120.200 -0.135 0.000 2.265 255 E HA -0.193 4.156 4.350 -0.001 0.000 0.196 255 E C 2.147 178.654 176.600 -0.155 0.000 0.996 255 E CA 1.118 57.362 56.400 -0.261 0.000 0.832 255 E CB -0.306 29.193 29.700 -0.334 0.000 0.756 255 E HN 0.377 nan 8.360 nan 0.000 0.491 256 V N 0.806 120.629 119.914 -0.152 0.000 2.343 256 V HA -0.236 3.883 4.120 -0.001 0.000 0.247 256 V C 2.463 178.555 176.094 -0.003 0.000 1.051 256 V CA 2.309 64.538 62.300 -0.118 0.000 1.036 256 V CB -0.487 31.232 31.823 -0.174 0.000 0.654 256 V HN 0.451 nan 8.190 nan 0.000 0.451 257 T N -0.553 113.974 114.554 -0.045 0.000 2.701 257 T HA -0.119 4.230 4.350 -0.001 0.000 0.263 257 T C 1.798 176.495 174.700 -0.005 0.000 1.040 257 T CA 1.763 63.838 62.100 -0.041 0.000 1.147 257 T CB -0.268 68.535 68.868 -0.109 0.000 0.865 257 T HN 0.402 nan 8.240 nan 0.000 0.426 258 L N 0.181 121.349 121.223 -0.093 0.000 2.189 258 L HA -0.105 4.234 4.340 -0.001 0.000 0.214 258 L C 2.294 179.394 176.870 0.384 0.000 1.097 258 L CA 1.191 56.109 54.840 0.130 0.000 0.764 258 L CB -0.561 41.459 42.059 -0.064 0.000 0.900 258 L HN 0.281 nan 8.230 nan 0.000 0.436 259 F N 0.694 120.726 119.950 0.137 0.000 2.128 259 F HA -0.122 4.404 4.527 -0.001 0.000 0.295 259 F C 2.476 178.356 175.800 0.133 0.000 1.100 259 F CA 1.021 59.146 58.000 0.208 0.000 1.260 259 F CB -0.576 38.479 39.000 0.092 0.000 1.009 259 F HN -0.008 nan 8.300 nan 0.000 0.476 260 A N -0.496 122.414 122.820 0.150 0.000 1.969 260 A HA -0.063 4.256 4.320 -0.001 0.000 0.218 260 A C 2.347 179.975 177.584 0.074 0.000 1.169 260 A CA 1.619 53.665 52.037 0.015 0.000 0.635 260 A CB -1.225 17.750 19.000 -0.042 0.000 0.810 260 A HN 0.219 nan 8.150 nan 0.000 0.445 261 V N -0.556 119.424 119.914 0.110 0.000 2.214 261 V HA -0.264 3.856 4.120 -0.001 0.000 0.244 261 V C 2.486 178.608 176.094 0.046 0.000 1.045 261 V CA 2.093 64.452 62.300 0.098 0.000 0.993 261 V CB -1.166 30.741 31.823 0.140 0.000 0.633 261 V HN 0.343 nan 8.190 nan 0.000 0.449 262 V N -0.074 119.872 119.914 0.053 0.000 2.215 262 V HA -0.364 3.755 4.120 -0.001 0.000 0.249 262 V C 2.664 178.587 176.094 -0.284 0.000 1.054 262 V CA 2.569 64.765 62.300 -0.174 0.000 1.012 262 V CB -1.345 30.415 31.823 -0.106 0.000 0.639 262 V HN 0.642 nan 8.190 nan 0.000 0.448 263 A N -0.421 122.348 122.820 -0.086 0.000 1.891 263 A HA -0.358 3.961 4.320 -0.001 0.000 0.221 263 A C 2.162 179.673 177.584 -0.123 0.000 1.394 263 A CA 2.924 54.902 52.037 -0.099 0.000 0.730 263 A CB -1.208 17.753 19.000 -0.064 0.000 0.845 263 A HN 0.491 nan 8.150 nan 0.000 0.471 264 L N -1.105 120.096 121.223 -0.038 0.000 2.013 264 L HA -0.182 4.157 4.340 -0.001 0.000 0.212 264 L C 2.346 179.181 176.870 -0.059 0.000 1.073 264 L CA 2.028 56.859 54.840 -0.015 0.000 0.753 264 L CB -0.510 41.584 42.059 0.058 0.000 0.890 264 L HN 0.479 nan 8.230 nan 0.000 0.432 265 L N -0.412 120.771 121.223 -0.068 0.000 2.103 265 L HA -0.194 4.145 4.340 -0.001 0.000 0.215 265 L C 1.755 178.572 176.870 -0.089 0.000 1.080 265 L CA 2.021 56.838 54.840 -0.038 0.000 0.764 265 L CB -0.764 41.319 42.059 0.040 0.000 0.890 265 L HN 0.314 nan 8.230 nan 0.000 0.435 266 V N -2.131 117.593 119.914 -0.316 0.000 3.099 266 V HA 0.321 4.441 4.120 -0.001 0.000 0.356 266 V C 1.808 177.835 176.094 -0.112 0.000 1.364 266 V CA 0.437 62.557 62.300 -0.300 0.000 1.229 266 V CB -0.554 30.752 31.823 -0.861 0.000 1.227 266 V HN 0.325 nan 8.190 nan 0.000 0.493 267 A N 1.474 124.242 122.820 -0.086 0.000 2.169 267 A HA 0.198 4.518 4.320 -0.001 0.000 0.212 267 A C -0.501 177.063 177.584 -0.033 0.000 1.153 267 A CA 0.410 52.410 52.037 -0.062 0.000 0.756 267 A CB -0.765 18.199 19.000 -0.060 0.000 0.813 267 A HN 0.585 nan 8.150 nan 0.000 0.471 268 P HA 0.312 nan 4.420 nan 0.000 0.231 268 P C -0.180 177.133 177.300 0.021 0.000 1.811 268 P CA 0.241 63.342 63.100 0.000 0.000 1.051 268 P CB 0.173 31.880 31.700 0.012 0.000 1.951 269 L N -0.051 121.177 121.223 0.007 0.000 3.128 269 L HA 0.399 4.738 4.340 -0.001 0.000 0.277 269 L C 1.182 178.041 176.870 -0.018 0.000 1.171 269 L CA 0.135 54.981 54.840 0.010 0.000 1.008 269 L CB 0.532 42.621 42.059 0.050 0.000 1.442 269 L HN 0.402 nan 8.230 nan 0.000 0.584 270 G N 1.022 109.808 108.800 -0.024 0.000 2.253 270 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.190 270 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.190 270 G C 0.482 175.365 174.900 -0.027 0.000 1.274 270 G CA 0.201 45.285 45.100 -0.028 0.000 1.275 270 G HN 0.054 nan 8.290 nan 0.000 0.518 271 S N -0.695 114.993 115.700 -0.020 0.000 2.478 271 S HA 0.098 4.567 4.470 -0.001 0.000 0.222 271 S C 1.941 176.537 174.600 -0.008 0.000 1.008 271 S CA 1.989 60.182 58.200 -0.013 0.000 0.928 271 S CB -0.252 62.944 63.200 -0.006 0.000 0.781 271 S HN 1.027 nan 8.310 nan 0.000 0.518 272 T N 2.432 116.978 114.554 -0.014 0.000 3.093 272 T HA -0.068 4.281 4.350 -0.001 0.000 0.270 272 T C 1.603 176.294 174.700 -0.015 0.000 1.170 272 T CA 0.990 63.080 62.100 -0.015 0.000 1.072 272 T CB -0.862 67.989 68.868 -0.029 0.000 0.863 272 T HN 0.444 nan 8.240 nan 0.000 0.562 273 V N 0.977 120.883 119.914 -0.013 0.000 2.232 273 V HA -0.170 3.949 4.120 -0.001 0.000 0.237 273 V C 2.303 178.433 176.094 0.060 0.000 1.035 273 V CA 1.793 64.089 62.300 -0.007 0.000 0.988 273 V CB -0.927 30.868 31.823 -0.046 0.000 0.636 273 V HN 0.285 nan 8.190 nan 0.000 0.456 274 V N 1.118 121.060 119.914 0.047 0.000 2.418 274 V HA -0.342 3.777 4.120 -0.001 0.000 0.258 274 V C 2.850 178.987 176.094 0.072 0.000 1.088 274 V CA 2.474 64.819 62.300 0.076 0.000 1.091 274 V CB -1.882 29.964 31.823 0.037 0.000 0.669 274 V HN 0.833 nan 8.190 nan 0.000 0.461 275 A N 0.244 123.095 122.820 0.052 0.000 1.836 275 A HA -0.205 4.114 4.320 -0.001 0.000 0.215 275 A C 2.442 180.081 177.584 0.092 0.000 1.214 275 A CA 2.698 54.764 52.037 0.048 0.000 0.636 275 A CB -1.233 17.779 19.000 0.021 0.000 0.847 275 A HN 0.655 nan 8.150 nan 0.000 0.451 276 A N -1.840 121.062 122.820 0.136 0.000 1.969 276 A HA -0.049 4.270 4.320 -0.001 0.000 0.218 276 A C 1.985 179.798 177.584 0.382 0.000 1.169 276 A CA 2.148 54.426 52.037 0.401 0.000 0.635 276 A CB -0.832 18.324 19.000 0.260 0.000 0.810 276 A HN 0.852 nan 8.150 nan 0.000 0.445 277 H N -0.521 118.632 119.070 0.139 0.000 2.312 277 H HA -0.133 4.422 4.556 -0.001 0.000 0.299 277 H C 2.192 177.530 175.328 0.016 0.000 1.051 277 H CA 2.338 58.434 56.048 0.079 0.000 1.227 277 H CB -0.495 29.273 29.762 0.010 0.000 1.389 277 H HN 0.345 nan 8.280 nan 0.000 0.524 278 Q N 0.239 119.942 119.800 -0.162 0.000 2.028 278 Q HA -0.183 4.156 4.340 -0.001 0.000 0.213 278 Q C 2.389 178.294 176.000 -0.158 0.000 1.017 278 Q CA 2.300 57.962 55.803 -0.234 0.000 0.875 278 Q CB -0.934 27.744 28.738 -0.100 0.000 0.962 278 Q HN 0.359 nan 8.270 nan 0.000 0.413 279 V N 0.188 120.068 119.914 -0.057 0.000 2.288 279 V HA -0.396 3.724 4.120 -0.001 0.000 0.229 279 V C 1.998 178.058 176.094 -0.057 0.000 0.983 279 V CA 2.102 64.387 62.300 -0.026 0.000 1.006 279 V CB -1.510 30.326 31.823 0.022 0.000 0.660 279 V HN 0.616 nan 8.190 nan 0.000 0.490 280 A N -0.381 122.367 122.820 -0.120 0.000 1.873 280 A HA -0.305 4.014 4.320 -0.001 0.000 0.219 280 A C 2.206 179.600 177.584 -0.315 0.000 1.269 280 A CA 2.890 54.737 52.037 -0.316 0.000 0.671 280 A CB -0.999 17.544 19.000 -0.761 0.000 0.842 280 A HN 0.581 nan 8.150 nan 0.000 0.460 281 L N -0.625 120.417 121.223 -0.302 0.000 1.929 281 L HA -0.318 4.021 4.340 -0.001 0.000 0.229 281 L C 2.354 179.111 176.870 -0.189 0.000 1.086 281 L CA 2.316 56.990 54.840 -0.277 0.000 0.798 281 L CB -0.815 41.037 42.059 -0.346 0.000 0.898 281 L HN 0.661 nan 8.230 nan 0.000 0.436 282 N N -1.124 117.453 118.700 -0.206 0.000 2.096 282 N HA -0.343 4.396 4.740 -0.001 0.000 0.198 282 N C 1.800 177.338 175.510 0.046 0.000 1.017 282 N CA 2.361 55.363 53.050 -0.080 0.000 0.889 282 N CB -0.419 38.014 38.487 -0.089 0.000 1.081 282 N HN 0.358 nan 8.380 nan 0.000 0.549 283 F N 1.455 121.338 119.950 -0.111 0.000 2.000 283 F HA -0.252 4.274 4.527 -0.001 0.000 0.296 283 F C 2.889 178.647 175.800 -0.070 0.000 1.159 283 F CA 1.457 59.413 58.000 -0.073 0.000 1.183 283 F CB -0.405 38.550 39.000 -0.074 0.000 0.959 283 F HN -0.003 nan 8.300 nan 0.000 0.490 284 S N -0.565 115.040 115.700 -0.158 0.000 2.428 284 S HA -0.293 4.176 4.470 -0.001 0.000 0.240 284 S C 2.105 176.621 174.600 -0.139 0.000 1.036 284 S CA 1.351 59.386 58.200 -0.276 0.000 1.009 284 S CB -0.645 62.303 63.200 -0.419 0.000 0.803 284 S HN 0.518 nan 8.310 nan 0.000 0.486 285 S N 0.088 115.732 115.700 -0.093 0.000 2.383 285 S HA -0.021 4.449 4.470 -0.001 0.000 0.227 285 S C 1.583 176.237 174.600 0.091 0.000 1.026 285 S CA 0.838 59.051 58.200 0.021 0.000 0.981 285 S CB -0.151 63.050 63.200 0.003 0.000 0.818 285 S HN 0.317 nan 8.310 nan 0.000 0.472 286 L N 1.105 122.309 121.223 -0.031 0.000 2.127 286 L HA 0.102 4.442 4.340 -0.001 0.000 0.203 286 L C 2.461 179.254 176.870 -0.128 0.000 1.080 286 L CA 0.974 55.794 54.840 -0.034 0.000 0.768 286 L CB -0.921 41.114 42.059 -0.040 0.000 0.924 286 L HN 0.158 nan 8.230 nan 0.000 0.444 287 V N -0.520 119.157 119.914 -0.394 0.000 2.324 287 V HA -0.346 3.773 4.120 -0.001 0.000 0.250 287 V C 2.333 178.385 176.094 -0.070 0.000 1.060 287 V CA 2.125 64.178 62.300 -0.411 0.000 1.042 287 V CB -1.042 30.449 31.823 -0.553 0.000 0.650 287 V HN 0.441 nan 8.190 nan 0.000 0.450 288 F N 0.627 120.519 119.950 -0.096 0.000 2.216 288 F HA -0.204 4.322 4.527 -0.001 0.000 0.300 288 F C 2.357 178.184 175.800 0.045 0.000 1.085 288 F CA 2.034 60.031 58.000 -0.005 0.000 1.326 288 F CB -0.299 38.714 39.000 0.021 0.000 1.027 288 F HN 0.108 nan 8.300 nan 0.000 0.497 289 M N -0.773 118.830 119.600 0.005 0.000 2.192 289 M HA -0.259 4.221 4.480 -0.001 0.000 0.259 289 M C 1.690 177.938 176.300 -0.087 0.000 1.071 289 M CA 1.794 57.050 55.300 -0.074 0.000 1.082 289 M CB -0.446 32.204 32.600 0.082 0.000 1.373 289 M HN 0.278 nan 8.290 nan 0.000 0.408 290 F N 0.491 120.311 119.950 -0.218 0.000 2.009 290 F HA -0.045 4.482 4.527 -0.001 0.000 0.293 290 F C -0.704 174.958 175.800 -0.230 0.000 1.156 290 F CA 1.404 59.294 58.000 -0.184 0.000 1.168 290 F CB -2.047 36.869 39.000 -0.140 0.000 0.981 290 F HN 0.086 nan 8.300 nan 0.000 0.475 291 P HA -0.231 nan 4.420 nan 0.000 0.218 291 P C 1.987 179.118 177.300 -0.282 0.000 1.146 291 P CA 1.712 64.723 63.100 -0.148 0.000 0.813 291 P CB -0.260 31.375 31.700 -0.107 0.000 0.778 292 M N -0.687 118.606 119.600 -0.513 0.000 2.080 292 M HA -0.194 4.286 4.480 -0.001 0.000 0.260 292 M C 1.883 178.033 176.300 -0.250 0.000 1.068 292 M CA 2.068 57.076 55.300 -0.486 0.000 1.109 292 M CB -0.478 31.714 32.600 -0.679 0.000 1.342 292 M HN -0.141 nan 8.290 nan 0.000 0.405 293 S N 1.172 116.719 115.700 -0.255 0.000 2.368 293 S HA -0.215 4.254 4.470 -0.001 0.000 0.226 293 S C 1.787 176.254 174.600 -0.222 0.000 1.044 293 S CA 1.952 60.009 58.200 -0.239 0.000 1.062 293 S CB -0.728 62.289 63.200 -0.305 0.000 0.931 293 S HN 0.547 nan 8.310 nan 0.000 0.440 294 I N 1.492 121.937 120.570 -0.209 0.000 2.127 294 I HA -0.194 3.975 4.170 -0.001 0.000 0.241 294 I C 2.732 178.771 176.117 -0.130 0.000 1.075 294 I CA 1.137 62.342 61.300 -0.159 0.000 1.334 294 I CB -1.383 36.541 38.000 -0.127 0.000 1.040 294 I HN 0.412 nan 8.210 nan 0.000 0.405 295 G N 1.014 109.737 108.800 -0.127 0.000 2.839 295 G HA2 -0.427 3.532 3.960 -0.001 0.000 0.221 295 G HA3 -0.427 3.532 3.960 -0.001 0.000 0.221 295 G C 1.776 176.638 174.900 -0.064 0.000 1.271 295 G CA 1.648 46.694 45.100 -0.089 0.000 0.789 295 G HN 0.533 nan 8.290 nan 0.000 0.659 296 A N 0.889 123.668 122.820 -0.067 0.000 1.917 296 A HA 0.086 4.405 4.320 -0.001 0.000 0.219 296 A C 2.920 180.430 177.584 -0.122 0.000 1.182 296 A CA 3.031 55.019 52.037 -0.082 0.000 0.633 296 A CB -1.133 17.736 19.000 -0.218 0.000 0.819 296 A HN 1.395 nan 8.150 nan 0.000 0.448 297 A N -0.634 122.091 122.820 -0.157 0.000 1.870 297 A HA -0.171 4.148 4.320 -0.001 0.000 0.219 297 A C 2.286 179.827 177.584 -0.072 0.000 1.224 297 A CA 2.492 54.449 52.037 -0.133 0.000 0.650 297 A CB -1.327 17.594 19.000 -0.131 0.000 0.836 297 A HN 0.525 nan 8.150 nan 0.000 0.454 298 V N -0.522 119.362 119.914 -0.049 0.000 2.216 298 V HA -0.261 3.858 4.120 -0.001 0.000 0.243 298 V C 2.710 178.823 176.094 0.031 0.000 1.044 298 V CA 2.479 64.776 62.300 -0.006 0.000 0.995 298 V CB -1.132 30.689 31.823 -0.004 0.000 0.633 298 V HN 0.772 nan 8.190 nan 0.000 0.446 299 S N 0.318 116.040 115.700 0.036 0.000 2.461 299 S HA -0.320 4.150 4.470 -0.001 0.000 0.266 299 S C 1.845 176.512 174.600 0.112 0.000 1.138 299 S CA 2.881 61.136 58.200 0.093 0.000 1.146 299 S CB -0.639 62.612 63.200 0.086 0.000 1.042 299 S HN 0.647 nan 8.310 nan 0.000 0.448 300 I N -2.224 118.380 120.570 0.056 0.000 2.585 300 I HA 0.206 4.376 4.170 -0.001 0.000 0.254 300 I C 2.485 178.634 176.117 0.054 0.000 1.129 300 I CA 0.724 62.054 61.300 0.049 0.000 1.455 300 I CB -0.547 37.453 38.000 -0.001 0.000 1.111 300 I HN 0.102 nan 8.210 nan 0.000 0.433 301 R N 1.673 122.192 120.500 0.032 0.000 2.120 301 R HA -0.069 4.270 4.340 -0.001 0.000 0.234 301 R C 2.178 178.530 176.300 0.087 0.000 1.123 301 R CA 1.510 57.642 56.100 0.053 0.000 0.975 301 R CB -0.713 29.600 30.300 0.022 0.000 0.866 301 R HN 0.445 nan 8.270 nan 0.000 0.446 302 V N 0.060 120.025 119.914 0.085 0.000 2.951 302 V HA 0.027 4.146 4.120 -0.001 0.000 0.255 302 V C 1.937 178.042 176.094 0.018 0.000 1.088 302 V CA 1.649 64.001 62.300 0.087 0.000 1.109 302 V CB 0.071 32.012 31.823 0.197 0.000 0.724 302 V HN 0.489 nan 8.190 nan 0.000 0.471 303 G N -1.181 107.649 108.800 0.050 0.000 2.426 303 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.214 303 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.214 303 G C 1.376 176.265 174.900 -0.018 0.000 1.156 303 G CA 0.848 45.942 45.100 -0.011 0.000 0.802 303 G HN 0.704 nan 8.290 nan 0.000 0.534 304 H N 0.257 119.296 119.070 -0.051 0.000 2.395 304 H HA 0.131 4.686 4.556 -0.001 0.000 0.299 304 H C 2.328 177.622 175.328 -0.055 0.000 1.070 304 H CA 1.589 57.606 56.048 -0.053 0.000 1.356 304 H CB 0.107 29.845 29.762 -0.040 0.000 1.401 304 H HN 0.201 nan 8.280 nan 0.000 0.524 305 K N -0.238 120.071 120.400 -0.150 0.000 2.217 305 K HA 0.029 4.348 4.320 -0.001 0.000 0.202 305 K C 1.693 178.187 176.600 -0.176 0.000 1.051 305 K CA 0.599 56.769 56.287 -0.195 0.000 0.952 305 K CB -0.162 32.304 32.500 -0.056 0.000 0.736 305 K HN 0.267 nan 8.250 nan 0.000 0.453 306 L N -0.919 120.209 121.223 -0.159 0.000 2.209 306 L HA 0.156 4.495 4.340 -0.001 0.000 0.207 306 L C 2.019 178.834 176.870 -0.092 0.000 1.094 306 L CA 1.613 56.365 54.840 -0.147 0.000 0.790 306 L CB -0.759 41.157 42.059 -0.240 0.000 0.932 306 L HN 0.272 nan 8.230 nan 0.000 0.447 307 G N -1.439 107.278 108.800 -0.139 0.000 2.464 307 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.217 307 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.217 307 G C 1.314 176.124 174.900 -0.150 0.000 1.138 307 G CA 0.458 45.474 45.100 -0.140 0.000 0.793 307 G HN 0.398 nan 8.290 nan 0.000 0.539 308 E N -0.050 120.008 120.200 -0.236 0.000 2.726 308 E HA 0.062 4.411 4.350 -0.001 0.000 0.329 308 E C 2.012 178.532 176.600 -0.135 0.000 0.595 308 E CA -0.139 56.132 56.400 -0.216 0.000 1.965 308 E CB -0.068 29.426 29.700 -0.343 0.000 1.717 308 E HN 0.192 nan 8.360 nan 0.000 0.531 309 Q N 0.112 119.834 119.800 -0.130 0.000 2.561 309 Q HA -0.110 4.229 4.340 -0.001 0.000 0.217 309 Q C -0.553 175.401 176.000 -0.076 0.000 0.980 309 Q CA 0.683 56.435 55.803 -0.085 0.000 0.927 309 Q CB 0.028 28.723 28.738 -0.071 0.000 0.980 309 Q HN 0.399 nan 8.270 nan 0.000 0.525 310 D N 0.182 120.529 120.400 -0.088 0.000 2.837 310 D HA -0.158 4.481 4.640 -0.001 0.000 0.230 310 D C 0.027 176.279 176.300 -0.080 0.000 1.152 310 D CA 1.349 55.303 54.000 -0.076 0.000 0.736 310 D CB -1.340 39.425 40.800 -0.058 0.000 1.084 310 D HN 0.278 nan 8.370 nan 0.000 0.429 311 T N -0.497 114.007 114.554 -0.084 0.000 2.732 311 T HA 0.133 4.483 4.350 -0.001 0.000 0.287 311 T C 0.812 175.469 174.700 -0.072 0.000 0.993 311 T CA -0.273 61.786 62.100 -0.067 0.000 0.966 311 T CB 0.655 69.489 68.868 -0.056 0.000 1.047 311 T HN -0.159 nan 8.240 nan 0.000 0.527 312 K N 2.320 122.689 120.400 -0.053 0.000 3.006 312 K HA 0.170 4.490 4.320 -0.001 0.000 0.265 312 K C 1.592 178.168 176.600 -0.040 0.000 1.279 312 K CA 0.024 56.278 56.287 -0.055 0.000 1.229 312 K CB -0.546 31.939 32.500 -0.025 0.000 1.555 312 K HN 0.766 nan 8.250 nan 0.000 0.300 313 G N 1.189 109.957 108.800 -0.054 0.000 2.485 313 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.221 313 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.221 313 G C 1.542 176.445 174.900 0.005 0.000 1.115 313 G CA 1.008 46.094 45.100 -0.024 0.000 0.751 313 G HN 0.481 nan 8.290 nan 0.000 0.567 314 A N 1.438 124.232 122.820 -0.042 0.000 1.859 314 A HA 0.085 4.404 4.320 -0.001 0.000 0.217 314 A C 2.869 180.524 177.584 0.119 0.000 1.198 314 A CA 2.818 54.826 52.037 -0.049 0.000 0.629 314 A CB -1.197 17.527 19.000 -0.461 0.000 0.830 314 A HN 0.971 nan 8.150 nan 0.000 0.446 315 A N 0.261 123.138 122.820 0.094 0.000 1.848 315 A HA -0.142 4.178 4.320 -0.001 0.000 0.217 315 A C 2.010 179.642 177.584 0.079 0.000 1.220 315 A CA 1.882 53.985 52.037 0.110 0.000 0.645 315 A CB -1.185 17.852 19.000 0.061 0.000 0.842 315 A HN 0.644 nan 8.150 nan 0.000 0.451 316 I N -0.704 119.893 120.570 0.045 0.000 2.238 316 I HA -0.304 3.866 4.170 -0.001 0.000 0.195 316 I C 2.808 178.953 176.117 0.046 0.000 0.987 316 I CA 1.386 62.706 61.300 0.034 0.000 1.325 316 I CB -1.323 36.688 38.000 0.020 0.000 1.059 316 I HN 0.405 nan 8.210 nan 0.000 0.391 317 A N 0.721 123.568 122.820 0.045 0.000 1.923 317 A HA -0.329 3.991 4.320 -0.001 0.000 0.222 317 A C 2.409 180.028 177.584 0.058 0.000 1.258 317 A CA 3.499 55.566 52.037 0.050 0.000 0.670 317 A CB -1.492 17.547 19.000 0.065 0.000 0.834 317 A HN 0.737 nan 8.150 nan 0.000 0.470 318 A N -0.259 122.618 122.820 0.094 0.000 1.848 318 A HA -0.200 4.120 4.320 -0.001 0.000 0.211 318 A C 1.688 179.312 177.584 0.066 0.000 1.225 318 A CA 1.960 54.060 52.037 0.106 0.000 0.637 318 A CB -1.129 18.008 19.000 0.229 0.000 0.867 318 A HN 0.580 nan 8.150 nan 0.000 0.463 319 N N -0.453 118.299 118.700 0.086 0.000 2.405 319 N HA -0.134 4.606 4.740 -0.001 0.000 0.189 319 N C 1.345 176.874 175.510 0.032 0.000 1.021 319 N CA 1.211 54.288 53.050 0.046 0.000 0.891 319 N CB -0.492 38.029 38.487 0.055 0.000 0.955 319 N HN 0.359 nan 8.380 nan 0.000 0.443 320 V N -0.096 119.840 119.914 0.036 0.000 2.300 320 V HA 0.052 4.172 4.120 -0.001 0.000 0.241 320 V C 2.078 178.178 176.094 0.009 0.000 1.034 320 V CA 2.046 64.364 62.300 0.029 0.000 1.021 320 V CB -1.014 30.827 31.823 0.030 0.000 0.662 320 V HN 0.284 nan 8.190 nan 0.000 0.458 321 G N 0.642 109.443 108.800 0.001 0.000 2.599 321 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.219 321 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.219 321 G C 1.520 176.404 174.900 -0.027 0.000 1.193 321 G CA 1.747 46.834 45.100 -0.021 0.000 0.778 321 G HN 0.574 nan 8.290 nan 0.000 0.589 322 L N -0.375 120.834 121.223 -0.023 0.000 1.956 322 L HA -0.187 4.152 4.340 -0.001 0.000 0.216 322 L C 2.910 179.767 176.870 -0.021 0.000 1.073 322 L CA 1.951 56.771 54.840 -0.033 0.000 0.762 322 L CB -0.751 41.288 42.059 -0.034 0.000 0.889 322 L HN 0.306 nan 8.230 nan 0.000 0.433 323 M N 0.227 119.823 119.600 -0.006 0.000 2.352 323 M HA -0.294 4.185 4.480 -0.001 0.000 0.260 323 M C 2.468 178.768 176.300 0.000 0.000 1.068 323 M CA 3.137 58.439 55.300 0.002 0.000 1.082 323 M CB -0.433 32.178 32.600 0.018 0.000 1.262 323 M HN 0.542 nan 8.290 nan 0.000 0.444 324 T N -1.545 113.010 114.554 0.001 0.000 2.595 324 T HA -0.107 4.243 4.350 -0.001 0.000 0.264 324 T C 1.905 176.603 174.700 -0.003 0.000 1.058 324 T CA 1.571 63.671 62.100 -0.001 0.000 1.166 324 T CB -1.989 66.875 68.868 -0.007 0.000 0.863 324 T HN 0.625 nan 8.240 nan 0.000 0.415 325 G N 2.885 111.674 108.800 -0.018 0.000 2.703 325 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.222 325 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.222 325 G C 1.460 176.358 174.900 -0.004 0.000 1.183 325 G CA 1.316 46.405 45.100 -0.019 0.000 0.775 325 G HN 0.420 nan 8.290 nan 0.000 0.615 326 L N 1.620 122.835 121.223 -0.014 0.000 1.951 326 L HA -0.159 4.180 4.340 -0.001 0.000 0.222 326 L C 3.234 180.105 176.870 0.002 0.000 1.078 326 L CA 2.954 57.787 54.840 -0.011 0.000 0.778 326 L CB -1.575 40.475 42.059 -0.014 0.000 0.893 326 L HN 0.405 nan 8.230 nan 0.000 0.436 327 A N -0.754 122.071 122.820 0.007 0.000 1.906 327 A HA -0.394 3.925 4.320 -0.001 0.000 0.222 327 A C 2.277 179.877 177.584 0.027 0.000 1.282 327 A CA 3.997 56.043 52.037 0.015 0.000 0.675 327 A CB -1.534 17.476 19.000 0.016 0.000 0.838 327 A HN 0.713 nan 8.150 nan 0.000 0.469 328 T N -1.839 112.746 114.554 0.052 0.000 2.668 328 T HA 0.119 4.468 4.350 -0.001 0.000 0.262 328 T C 2.036 176.762 174.700 0.043 0.000 1.045 328 T CA 1.826 63.985 62.100 0.098 0.000 1.152 328 T CB -0.976 68.029 68.868 0.228 0.000 0.864 328 T HN 0.911 nan 8.240 nan 0.000 0.419 329 A N -0.059 122.782 122.820 0.034 0.000 2.131 329 A HA -0.031 4.288 4.320 -0.001 0.000 0.220 329 A C 2.621 180.191 177.584 -0.024 0.000 1.158 329 A CA 1.332 53.360 52.037 -0.016 0.000 0.665 329 A CB -1.471 17.519 19.000 -0.017 0.000 0.795 329 A HN 0.696 nan 8.150 nan 0.000 0.460 330 C N -1.352 117.942 119.300 -0.009 0.000 2.507 330 C HA 0.170 4.629 4.460 -0.001 0.000 0.280 330 C C 2.386 177.371 174.990 -0.009 0.000 1.345 330 C CA 0.470 59.483 59.018 -0.008 0.000 1.736 330 C CB -0.863 26.876 27.740 -0.002 0.000 2.060 330 C HN 0.601 nan 8.230 nan 0.000 0.498 331 I N 1.653 122.218 120.570 -0.008 0.000 2.202 331 I HA -0.114 4.055 4.170 -0.001 0.000 0.242 331 I C 2.650 178.740 176.117 -0.044 0.000 1.091 331 I CA 2.504 63.796 61.300 -0.014 0.000 1.368 331 I CB -1.159 36.843 38.000 0.005 0.000 1.058 331 I HN 0.507 nan 8.210 nan 0.000 0.410 332 T N -1.316 113.186 114.554 -0.087 0.000 3.043 332 T HA 0.123 4.472 4.350 -0.001 0.000 0.263 332 T C 1.961 176.632 174.700 -0.049 0.000 1.094 332 T CA 0.719 62.742 62.100 -0.128 0.000 1.127 332 T CB -0.216 68.480 68.868 -0.288 0.000 0.905 332 T HN 0.240 nan 8.240 nan 0.000 0.490 333 A N 1.917 124.717 122.820 -0.034 0.000 1.858 333 A HA 0.137 4.456 4.320 -0.001 0.000 0.216 333 A C 2.226 179.820 177.584 0.017 0.000 1.190 333 A CA 1.267 53.302 52.037 -0.004 0.000 0.617 333 A CB -0.932 18.063 19.000 -0.009 0.000 0.827 333 A HN 0.402 nan 8.150 nan 0.000 0.443 334 L N -0.313 120.914 121.223 0.008 0.000 2.017 334 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 334 L C 2.450 179.334 176.870 0.024 0.000 1.073 334 L CA 1.919 56.769 54.840 0.016 0.000 0.745 334 L CB -1.092 40.972 42.059 0.008 0.000 0.894 334 L HN 0.614 nan 8.230 nan 0.000 0.432 335 L N -2.601 118.624 121.223 0.003 0.000 2.447 335 L HA -0.109 4.231 4.340 -0.001 0.000 0.225 335 L C 1.826 178.731 176.870 0.059 0.000 1.148 335 L CA 1.920 56.756 54.840 -0.006 0.000 0.808 335 L CB -1.536 40.480 42.059 -0.071 0.000 0.928 335 L HN 0.144 nan 8.230 nan 0.000 0.448 336 T N -1.647 112.961 114.554 0.090 0.000 3.010 336 T HA 0.019 4.368 4.350 -0.001 0.000 0.252 336 T C 1.915 176.673 174.700 0.097 0.000 1.047 336 T CA 0.916 63.102 62.100 0.143 0.000 1.140 336 T CB -0.154 68.845 68.868 0.219 0.000 0.885 336 T HN 0.144 nan 8.240 nan 0.000 0.464 337 V N 2.341 122.298 119.914 0.072 0.000 2.370 337 V HA -0.171 3.948 4.120 -0.001 0.000 0.252 337 V C 2.265 178.393 176.094 0.056 0.000 1.068 337 V CA 1.820 64.152 62.300 0.054 0.000 1.061 337 V CB -0.451 31.398 31.823 0.043 0.000 0.656 337 V HN 0.402 nan 8.190 nan 0.000 0.455 338 L N -0.832 120.442 121.223 0.085 0.000 1.993 338 L HA 0.023 4.363 4.340 -0.001 0.000 0.206 338 L C 1.900 178.848 176.870 0.130 0.000 1.074 338 L CA 2.130 57.035 54.840 0.108 0.000 0.746 338 L CB -1.163 40.984 42.059 0.146 0.000 0.896 338 L HN 0.253 nan 8.230 nan 0.000 0.435 339 F N 1.560 121.483 119.950 -0.044 0.000 2.788 339 F HA 0.005 4.531 4.527 -0.001 0.000 0.300 339 F C 2.077 177.793 175.800 -0.140 0.000 1.229 339 F CA 0.485 58.437 58.000 -0.079 0.000 1.446 339 F CB -0.623 38.333 39.000 -0.074 0.000 1.118 339 F HN 0.281 nan 8.300 nan 0.000 0.579 340 R N 0.590 121.059 120.500 -0.051 0.000 2.280 340 R HA -0.249 4.090 4.340 -0.001 0.000 0.209 340 R C 1.756 177.949 176.300 -0.177 0.000 1.059 340 R CA 1.526 57.554 56.100 -0.119 0.000 0.847 340 R CB -1.373 28.892 30.300 -0.060 0.000 0.763 340 R HN 0.241 nan 8.270 nan 0.000 0.452 341 E N 1.140 121.254 120.200 -0.143 0.000 2.813 341 E HA -0.395 3.954 4.350 -0.001 0.000 0.233 341 E C 1.952 178.438 176.600 -0.191 0.000 0.922 341 E CA 2.665 58.973 56.400 -0.152 0.000 1.351 341 E CB -1.211 28.399 29.700 -0.150 0.000 1.349 341 E HN 0.677 nan 8.360 nan 0.000 0.485 342 Q N -0.429 119.203 119.800 -0.281 0.000 2.096 342 Q HA -0.119 4.220 4.340 -0.001 0.000 0.204 342 Q C 2.404 178.265 176.000 -0.232 0.000 0.982 342 Q CA 1.501 57.139 55.803 -0.274 0.000 0.850 342 Q CB -0.211 28.282 28.738 -0.409 0.000 0.901 342 Q HN 0.369 nan 8.270 nan 0.000 0.422 343 I N 1.037 121.434 120.570 -0.289 0.000 2.163 343 I HA -0.284 3.885 4.170 -0.001 0.000 0.243 343 I C 2.451 178.422 176.117 -0.244 0.000 1.085 343 I CA 1.489 62.608 61.300 -0.301 0.000 1.347 343 I CB -1.510 36.179 38.000 -0.518 0.000 1.044 343 I HN 0.145 nan 8.210 nan 0.000 0.408 344 A N 0.915 123.612 122.820 -0.206 0.000 1.892 344 A HA -0.185 4.134 4.320 -0.001 0.000 0.218 344 A C 1.992 179.526 177.584 -0.083 0.000 1.188 344 A CA 1.240 53.201 52.037 -0.127 0.000 0.631 344 A CB -1.131 17.811 19.000 -0.098 0.000 0.822 344 A HN 0.475 nan 8.150 nan 0.000 0.447 345 L N 0.548 121.716 121.223 -0.091 0.000 3.062 345 L HA -0.008 4.331 4.340 -0.001 0.000 0.264 345 L C 1.689 178.538 176.870 -0.036 0.000 1.242 345 L CA -0.316 54.490 54.840 -0.056 0.000 1.072 345 L CB -0.957 41.057 42.059 -0.076 0.000 1.420 345 L HN 0.503 nan 8.230 nan 0.000 0.412 346 L N -0.257 120.948 121.223 -0.030 0.000 1.900 346 L HA -0.197 4.143 4.340 -0.001 0.000 0.230 346 L C 0.878 177.794 176.870 0.077 0.000 1.089 346 L CA 1.099 55.939 54.840 0.000 0.000 0.807 346 L CB -0.174 41.878 42.059 -0.010 0.000 0.895 346 L HN 0.076 nan 8.230 nan 0.000 0.430 347 Y N 1.228 121.492 120.300 -0.059 0.000 2.717 347 Y HA -0.070 4.479 4.550 -0.001 0.000 0.330 347 Y C 0.425 176.301 175.900 -0.040 0.000 1.217 347 Y CA -0.231 57.841 58.100 -0.047 0.000 1.506 347 Y CB 0.041 38.487 38.460 -0.023 0.000 1.268 347 Y HN 0.169 nan 8.280 nan 0.000 0.561 348 T N 7.414 121.893 114.554 -0.126 0.000 3.462 348 T HA 0.139 4.488 4.350 -0.001 0.000 0.257 348 T C -0.270 174.355 174.700 -0.124 0.000 1.015 348 T CA 0.040 62.070 62.100 -0.117 0.000 1.135 348 T CB -0.712 68.073 68.868 -0.139 0.000 1.061 348 T HN 0.605 nan 8.240 nan 0.000 0.772 349 E N 1.794 121.972 120.200 -0.036 0.000 2.458 349 E HA 0.416 4.766 4.350 -0.001 0.000 0.250 349 E C 0.415 177.012 176.600 -0.004 0.000 0.883 349 E CA -1.245 55.151 56.400 -0.007 0.000 0.868 349 E CB 0.721 30.468 29.700 0.077 0.000 1.593 349 E HN 0.371 nan 8.360 nan 0.000 0.410 350 N N 0.490 119.194 118.700 0.007 0.000 2.327 350 N HA -0.107 4.632 4.740 -0.001 0.000 0.285 350 N C 0.869 176.380 175.510 0.000 0.000 1.299 350 N CA -0.201 52.849 53.050 -0.001 0.000 0.944 350 N CB 0.141 38.629 38.487 0.002 0.000 1.067 350 N HN 0.481 nan 8.380 nan 0.000 0.514 351 Q N 0.486 120.284 119.800 -0.003 0.000 1.917 351 Q HA -0.090 4.250 4.340 -0.001 0.000 0.205 351 Q C 0.801 176.803 176.000 0.003 0.000 0.988 351 Q CA 1.295 57.094 55.803 -0.006 0.000 0.851 351 Q CB -0.927 27.806 28.738 -0.008 0.000 0.916 351 Q HN 0.527 nan 8.270 nan 0.000 0.424 352 V N -0.772 119.146 119.914 0.006 0.000 3.886 352 V HA -0.391 3.728 4.120 -0.001 0.000 0.551 352 V C 1.688 177.788 176.094 0.009 0.000 0.715 352 V CA 1.404 63.712 62.300 0.013 0.000 2.122 352 V CB -0.777 31.063 31.823 0.028 0.000 2.499 352 V HN 0.532 nan 8.190 nan 0.000 0.524 353 V N 1.740 121.660 119.914 0.011 0.000 2.477 353 V HA -0.475 3.644 4.120 -0.001 0.000 0.221 353 V C 2.173 178.269 176.094 0.003 0.000 1.048 353 V CA 4.091 66.397 62.300 0.009 0.000 1.076 353 V CB -1.917 29.917 31.823 0.017 0.000 1.004 353 V HN 2.032 nan 8.190 nan 0.000 0.476 354 V N -0.299 119.614 119.914 -0.001 0.000 2.547 354 V HA -0.517 3.602 4.120 -0.001 0.000 0.206 354 V C 2.436 178.519 176.094 -0.017 0.000 1.055 354 V CA 4.114 66.405 62.300 -0.015 0.000 1.058 354 V CB -1.510 30.303 31.823 -0.017 0.000 1.093 354 V HN 0.981 nan 8.190 nan 0.000 0.477 355 A N -1.918 120.895 122.820 -0.011 0.000 1.840 355 A HA -0.052 4.267 4.320 -0.001 0.000 0.214 355 A C 1.905 179.489 177.584 0.000 0.000 1.198 355 A CA 1.989 54.022 52.037 -0.008 0.000 0.608 355 A CB -0.476 18.521 19.000 -0.006 0.000 0.839 355 A HN 0.498 nan 8.150 nan 0.000 0.443 356 L N -0.314 120.911 121.223 0.004 0.000 2.141 356 L HA -0.019 4.320 4.340 -0.001 0.000 0.209 356 L C 2.805 179.685 176.870 0.016 0.000 1.094 356 L CA 1.583 56.429 54.840 0.010 0.000 0.763 356 L CB -0.598 41.465 42.059 0.006 0.000 0.908 356 L HN 0.401 nan 8.230 nan 0.000 0.437 357 A N -0.736 122.091 122.820 0.011 0.000 1.851 357 A HA -0.302 4.017 4.320 -0.001 0.000 0.216 357 A C 2.317 179.910 177.584 0.014 0.000 1.195 357 A CA 2.200 54.246 52.037 0.015 0.000 0.622 357 A CB -0.807 18.193 19.000 -0.001 0.000 0.831 357 A HN 0.459 nan 8.150 nan 0.000 0.444 358 M N -0.416 119.183 119.600 -0.001 0.000 2.146 358 M HA -0.248 4.231 4.480 -0.001 0.000 0.256 358 M C 2.004 178.320 176.300 0.027 0.000 1.075 358 M CA 2.147 57.446 55.300 -0.002 0.000 1.082 358 M CB -1.082 31.510 32.600 -0.012 0.000 1.355 358 M HN 0.513 nan 8.290 nan 0.000 0.402 359 Q N 0.152 119.973 119.800 0.034 0.000 2.050 359 Q HA -0.139 4.200 4.340 -0.001 0.000 0.202 359 Q C 2.297 178.351 176.000 0.090 0.000 0.980 359 Q CA 1.691 57.526 55.803 0.053 0.000 0.840 359 Q CB -0.515 28.248 28.738 0.040 0.000 0.898 359 Q HN 0.604 nan 8.270 nan 0.000 0.424 360 L N 0.279 121.551 121.223 0.082 0.000 1.994 360 L HA -0.210 4.129 4.340 -0.001 0.000 0.208 360 L C 2.603 179.621 176.870 0.248 0.000 1.071 360 L CA 0.784 55.700 54.840 0.127 0.000 0.745 360 L CB -0.782 41.310 42.059 0.055 0.000 0.892 360 L HN 0.195 nan 8.230 nan 0.000 0.431 361 L N -0.161 121.136 121.223 0.123 0.000 2.095 361 L HA -0.349 3.990 4.340 -0.001 0.000 0.229 361 L C 2.648 179.582 176.870 0.107 0.000 1.097 361 L CA 1.844 56.736 54.840 0.087 0.000 0.813 361 L CB -0.501 41.566 42.059 0.014 0.000 0.907 361 L HN 0.294 nan 8.230 nan 0.000 0.445 362 L N -0.708 120.584 121.223 0.114 0.000 1.994 362 L HA -0.269 4.070 4.340 -0.001 0.000 0.208 362 L C 2.554 179.498 176.870 0.123 0.000 1.071 362 L CA 1.873 56.775 54.840 0.103 0.000 0.745 362 L CB -0.506 41.611 42.059 0.096 0.000 0.892 362 L HN 0.317 nan 8.230 nan 0.000 0.431 363 F N 1.144 121.092 119.950 -0.002 0.000 2.115 363 F HA -0.301 4.226 4.527 -0.001 0.000 0.300 363 F C 2.174 177.963 175.800 -0.018 0.000 1.092 363 F CA 1.557 59.557 58.000 -0.001 0.000 1.245 363 F CB -1.276 37.715 39.000 -0.015 0.000 0.995 363 F HN 0.138 nan 8.300 nan 0.000 0.481 364 A N 1.367 123.900 122.820 -0.478 0.000 1.851 364 A HA -0.068 4.251 4.320 -0.001 0.000 0.216 364 A C 2.612 180.057 177.584 -0.232 0.000 1.195 364 A CA 2.621 54.295 52.037 -0.604 0.000 0.622 364 A CB -1.749 17.107 19.000 -0.239 0.000 0.831 364 A HN 0.752 nan 8.150 nan 0.000 0.444 365 A N -0.021 122.755 122.820 -0.073 0.000 1.881 365 A HA -0.218 4.101 4.320 -0.001 0.000 0.219 365 A C 2.042 179.602 177.584 -0.040 0.000 1.215 365 A CA 2.030 54.055 52.037 -0.019 0.000 0.648 365 A CB -0.732 18.278 19.000 0.017 0.000 0.832 365 A HN 0.437 nan 8.150 nan 0.000 0.455 366 I N -1.636 118.906 120.570 -0.045 0.000 2.194 366 I HA -0.254 3.915 4.170 -0.001 0.000 0.246 366 I C 2.362 178.448 176.117 -0.051 0.000 1.093 366 I CA 1.855 63.137 61.300 -0.031 0.000 1.355 366 I CB -1.405 36.597 38.000 0.004 0.000 1.046 366 I HN 0.620 nan 8.210 nan 0.000 0.413 367 Y N 1.714 121.832 120.300 -0.304 0.000 2.163 367 Y HA -0.252 4.297 4.550 -0.001 0.000 0.288 367 Y C 2.699 178.474 175.900 -0.208 0.000 1.136 367 Y CA 1.699 59.604 58.100 -0.325 0.000 1.147 367 Y CB -0.379 37.691 38.460 -0.649 0.000 0.987 367 Y HN 0.215 nan 8.280 nan 0.000 0.509 368 Q N -0.359 119.464 119.800 0.038 0.000 1.978 368 Q HA -0.381 3.959 4.340 -0.001 0.000 0.211 368 Q C 2.611 178.571 176.000 -0.067 0.000 1.013 368 Q CA 2.654 58.454 55.803 -0.004 0.000 0.869 368 Q CB -1.123 27.592 28.738 -0.039 0.000 0.953 368 Q HN 0.733 nan 8.270 nan 0.000 0.415 369 C N 0.212 119.477 119.300 -0.059 0.000 2.393 369 C HA -0.202 4.257 4.460 -0.001 0.000 0.276 369 C C 2.634 177.576 174.990 -0.080 0.000 1.215 369 C CA 1.340 60.325 59.018 -0.055 0.000 1.743 369 C CB -0.952 26.766 27.740 -0.036 0.000 2.044 369 C HN 0.602 nan 8.230 nan 0.000 0.464 370 M N 1.847 121.388 119.600 -0.098 0.000 2.082 370 M HA -0.089 4.390 4.480 -0.001 0.000 0.258 370 M C 1.951 178.150 176.300 -0.169 0.000 1.071 370 M CA 2.452 57.686 55.300 -0.109 0.000 1.103 370 M CB -1.501 31.043 32.600 -0.094 0.000 1.307 370 M HN 0.593 nan 8.290 nan 0.000 0.409 371 D N -0.461 119.756 120.400 -0.307 0.000 2.126 371 D HA -0.202 4.437 4.640 -0.001 0.000 0.190 371 D C 1.815 178.025 176.300 -0.149 0.000 1.001 371 D CA 2.134 55.926 54.000 -0.347 0.000 0.841 371 D CB -0.341 40.152 40.800 -0.511 0.000 0.949 371 D HN 0.436 nan 8.370 nan 0.000 0.446 372 A N 0.766 123.524 122.820 -0.103 0.000 1.870 372 A HA -0.251 4.068 4.320 -0.001 0.000 0.219 372 A C 2.640 180.170 177.584 -0.089 0.000 1.224 372 A CA 3.047 55.042 52.037 -0.070 0.000 0.650 372 A CB -1.444 17.527 19.000 -0.049 0.000 0.836 372 A HN 0.284 nan 8.150 nan 0.000 0.454 373 V N 0.017 119.876 119.914 -0.092 0.000 2.233 373 V HA -0.331 3.788 4.120 -0.001 0.000 0.247 373 V C 2.556 178.564 176.094 -0.144 0.000 1.050 373 V CA 3.039 65.277 62.300 -0.103 0.000 1.010 373 V CB -0.716 31.055 31.823 -0.087 0.000 0.637 373 V HN 0.765 nan 8.190 nan 0.000 0.444 374 Q N -0.439 119.270 119.800 -0.152 0.000 2.156 374 Q HA -0.210 4.130 4.340 -0.001 0.000 0.211 374 Q C 2.081 177.927 176.000 -0.256 0.000 0.995 374 Q CA 3.047 58.724 55.803 -0.210 0.000 0.877 374 Q CB -0.460 28.165 28.738 -0.189 0.000 0.920 374 Q HN 0.634 nan 8.270 nan 0.000 0.416 375 V N 0.251 120.069 119.914 -0.159 0.000 2.238 375 V HA -0.230 3.889 4.120 -0.001 0.000 0.235 375 V C 2.417 178.411 176.094 -0.167 0.000 1.037 375 V CA 1.622 63.854 62.300 -0.113 0.000 0.991 375 V CB -1.311 30.493 31.823 -0.032 0.000 0.638 375 V HN 0.410 nan 8.190 nan 0.000 0.457 376 V N 0.561 120.393 119.914 -0.136 0.000 2.223 376 V HA -0.376 3.743 4.120 -0.001 0.000 0.253 376 V C 2.414 178.402 176.094 -0.177 0.000 1.061 376 V CA 3.171 65.392 62.300 -0.131 0.000 1.035 376 V CB -1.243 30.519 31.823 -0.102 0.000 0.653 376 V HN 0.650 nan 8.190 nan 0.000 0.454 377 A N 0.594 123.302 122.820 -0.187 0.000 2.007 377 A HA -0.204 4.115 4.320 -0.001 0.000 0.214 377 A C 2.387 179.745 177.584 -0.376 0.000 1.302 377 A CA 3.978 55.876 52.037 -0.231 0.000 0.770 377 A CB -1.796 17.068 19.000 -0.227 0.000 0.831 377 A HN 1.561 nan 8.150 nan 0.000 0.491 378 A N -1.638 120.864 122.820 -0.530 0.000 2.976 378 A HA 0.046 4.366 4.320 -0.001 0.000 0.193 378 A C 2.681 179.681 177.584 -0.973 0.000 0.951 378 A CA 2.763 54.215 52.037 -0.974 0.000 1.086 378 A CB -1.797 16.559 19.000 -1.075 0.000 0.750 378 A HN 1.833 nan 8.150 nan 0.000 0.557 379 G N -1.652 106.717 108.800 -0.718 0.000 3.048 379 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.226 379 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.226 379 G C 1.752 176.622 174.900 -0.050 0.000 1.072 379 G CA 2.551 47.572 45.100 -0.133 0.000 0.721 379 G HN 0.985 nan 8.290 nan 0.000 0.661 380 S N -0.715 114.890 115.700 -0.158 0.000 2.460 380 S HA 0.180 4.650 4.470 -0.001 0.000 0.185 380 S C 2.335 176.874 174.600 -0.101 0.000 0.908 380 S CA 0.543 58.703 58.200 -0.067 0.000 0.894 380 S CB -0.557 62.607 63.200 -0.061 0.000 0.855 380 S HN 0.229 nan 8.310 nan 0.000 0.574 381 L N 1.193 122.327 121.223 -0.148 0.000 1.997 381 L HA -0.226 4.114 4.340 -0.001 0.000 0.227 381 L C 2.944 179.478 176.870 -0.560 0.000 1.087 381 L CA 1.964 56.692 54.840 -0.188 0.000 0.797 381 L CB -0.658 41.321 42.059 -0.134 0.000 0.902 381 L HN 0.294 nan 8.230 nan 0.000 0.441 382 R N 0.258 120.451 120.500 -0.512 0.000 2.115 382 R HA -0.038 4.302 4.340 -0.001 0.000 0.230 382 R C 2.230 178.437 176.300 -0.154 0.000 1.111 382 R CA 1.011 56.824 56.100 -0.478 0.000 0.976 382 R CB -1.312 28.722 30.300 -0.442 0.000 0.870 382 R HN 0.434 nan 8.270 nan 0.000 0.445 383 G N 0.476 109.256 108.800 -0.033 0.000 2.564 383 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.217 383 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.217 383 G C 0.860 175.875 174.900 0.192 0.000 1.120 383 G CA 0.873 46.091 45.100 0.197 0.000 0.752 383 G HN 0.527 nan 8.290 nan 0.000 0.558 384 Y N -0.775 119.596 120.300 0.118 0.000 2.529 384 Y HA 0.611 5.161 4.550 -0.001 0.000 0.290 384 Y C 0.590 176.564 175.900 0.123 0.000 1.177 384 Y CA -0.960 57.203 58.100 0.104 0.000 1.305 384 Y CB -0.391 38.118 38.460 0.082 0.000 1.047 384 Y HN 0.018 nan 8.280 nan 0.000 0.522 385 K N -0.245 120.422 120.400 0.445 0.000 3.238 385 K HA 0.120 4.439 4.320 -0.001 0.000 0.324 385 K C -0.117 176.615 176.600 0.220 0.000 1.064 385 K CA 0.044 56.557 56.287 0.377 0.000 0.782 385 K CB -0.196 32.640 32.500 0.560 0.000 1.465 385 K HN 0.013 nan 8.250 nan 0.000 0.412 386 D N 0.952 121.470 120.400 0.198 0.000 2.347 386 D HA -0.274 4.365 4.640 -0.001 0.000 0.208 386 D C 1.486 177.815 176.300 0.048 0.000 0.994 386 D CA 1.912 55.986 54.000 0.122 0.000 0.924 386 D CB -0.314 40.579 40.800 0.155 0.000 0.892 386 D HN 0.512 nan 8.370 nan 0.000 0.471 387 M N 0.814 120.426 119.600 0.021 0.000 2.446 387 M HA -0.108 4.371 4.480 -0.001 0.000 0.263 387 M C 1.928 178.294 176.300 0.109 0.000 1.066 387 M CA 1.906 57.175 55.300 -0.051 0.000 1.087 387 M CB -2.017 30.486 32.600 -0.160 0.000 1.406 387 M HN 0.221 nan 8.290 nan 0.000 0.459 388 T N -0.404 114.192 114.554 0.071 0.000 2.759 388 T HA -0.018 4.332 4.350 -0.001 0.000 0.269 388 T C 1.925 176.364 174.700 -0.436 0.000 1.042 388 T CA 1.760 63.715 62.100 -0.242 0.000 1.140 388 T CB -0.654 68.168 68.868 -0.077 0.000 0.864 388 T HN 0.471 nan 8.240 nan 0.000 0.455 389 A N 2.418 125.152 122.820 -0.144 0.000 1.823 389 A HA 0.125 4.445 4.320 -0.001 0.000 0.214 389 A C 2.401 179.967 177.584 -0.029 0.000 1.227 389 A CA 1.575 53.573 52.037 -0.067 0.000 0.616 389 A CB -1.132 17.868 19.000 0.000 0.000 0.874 389 A HN 0.560 nan 8.150 nan 0.000 0.455 390 I N 0.021 120.586 120.570 -0.008 0.000 2.502 390 I HA -0.290 3.879 4.170 -0.001 0.000 0.258 390 I C 2.356 178.506 176.117 0.054 0.000 1.172 390 I CA 1.934 63.242 61.300 0.013 0.000 1.430 390 I CB -0.539 37.436 38.000 -0.042 0.000 1.086 390 I HN 0.640 nan 8.210 nan 0.000 0.440 391 F N 0.787 120.713 119.950 -0.039 0.000 2.367 391 F HA -0.126 4.400 4.527 -0.001 0.000 0.298 391 F C 2.544 178.354 175.800 0.015 0.000 1.094 391 F CA 1.020 58.972 58.000 -0.080 0.000 1.409 391 F CB -0.637 38.261 39.000 -0.170 0.000 1.064 391 F HN 0.035 nan 8.300 nan 0.000 0.528 392 H N 1.369 120.245 119.070 -0.324 0.000 2.290 392 H HA -0.168 4.387 4.556 -0.001 0.000 0.298 392 H C 2.545 177.972 175.328 0.165 0.000 1.087 392 H CA 2.479 58.465 56.048 -0.104 0.000 1.291 392 H CB -0.574 29.058 29.762 -0.217 0.000 1.369 392 H HN 0.303 nan 8.280 nan 0.000 0.492 393 R N -0.215 120.202 120.500 -0.138 0.000 2.143 393 R HA -0.193 4.146 4.340 -0.001 0.000 0.239 393 R C 2.129 178.432 176.300 0.005 0.000 1.126 393 R CA 2.779 58.805 56.100 -0.123 0.000 0.927 393 R CB -0.920 29.393 30.300 0.021 0.000 0.860 393 R HN 0.473 nan 8.270 nan 0.000 0.433 394 T N 0.736 115.346 114.554 0.093 0.000 2.822 394 T HA -0.196 4.153 4.350 -0.001 0.000 0.270 394 T C 1.356 176.210 174.700 0.256 0.000 1.064 394 T CA 1.574 63.758 62.100 0.140 0.000 1.131 394 T CB -0.336 68.593 68.868 0.102 0.000 0.858 394 T HN 0.282 nan 8.240 nan 0.000 0.483 395 F N 0.703 120.711 119.950 0.098 0.000 2.009 395 F HA -0.006 4.520 4.527 -0.001 0.000 0.293 395 F C 2.290 178.227 175.800 0.228 0.000 1.156 395 F CA 0.710 58.779 58.000 0.114 0.000 1.168 395 F CB -0.162 38.899 39.000 0.102 0.000 0.981 395 F HN -0.037 nan 8.300 nan 0.000 0.475 396 I N -0.371 120.330 120.570 0.218 0.000 2.623 396 I HA -0.347 3.822 4.170 -0.001 0.000 0.261 396 I C 2.357 178.696 176.117 0.370 0.000 1.204 396 I CA 1.021 62.431 61.300 0.183 0.000 1.444 396 I CB -0.129 37.803 38.000 -0.113 0.000 1.094 396 I HN 0.193 nan 8.210 nan 0.000 0.451 397 S N -0.049 115.829 115.700 0.296 0.000 2.371 397 S HA -0.225 4.244 4.470 -0.001 0.000 0.224 397 S C 1.953 176.713 174.600 0.266 0.000 1.029 397 S CA 1.284 59.630 58.200 0.243 0.000 0.978 397 S CB -0.321 62.982 63.200 0.171 0.000 0.833 397 S HN 0.676 nan 8.310 nan 0.000 0.466 398 Y N 0.348 120.769 120.300 0.202 0.000 2.256 398 Y HA -0.175 4.375 4.550 -0.001 0.000 0.288 398 Y C 1.894 177.890 175.900 0.160 0.000 1.155 398 Y CA 1.686 59.896 58.100 0.182 0.000 1.203 398 Y CB -0.989 37.630 38.460 0.265 0.000 0.980 398 Y HN 0.528 nan 8.280 nan 0.000 0.530 399 W N 0.459 121.629 121.300 -0.218 0.000 2.380 399 W HA -0.124 4.535 4.660 -0.001 0.000 0.317 399 W C 2.289 178.634 176.519 -0.290 0.000 1.196 399 W CA 2.652 59.744 57.345 -0.421 0.000 1.307 399 W CB -0.887 28.537 29.460 -0.060 0.000 1.157 399 W HN -0.081 nan 8.180 nan 0.000 0.483 400 V N 1.468 121.281 119.914 -0.168 0.000 2.261 400 V HA -0.292 3.827 4.120 -0.001 0.000 0.246 400 V C 2.429 178.273 176.094 -0.416 0.000 1.047 400 V CA 2.252 64.225 62.300 -0.546 0.000 1.015 400 V CB -1.189 30.633 31.823 -0.001 0.000 0.642 400 V HN 0.363 nan 8.190 nan 0.000 0.446 401 L N 0.771 121.869 121.223 -0.207 0.000 1.951 401 L HA -0.045 4.294 4.340 -0.001 0.000 0.222 401 L C 2.065 178.777 176.870 -0.263 0.000 1.078 401 L CA 2.800 57.538 54.840 -0.171 0.000 0.778 401 L CB -1.692 40.322 42.059 -0.076 0.000 0.893 401 L HN 0.326 nan 8.230 nan 0.000 0.436 402 G N -0.489 108.110 108.800 -0.335 0.000 2.480 402 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.169 402 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.169 402 G C 1.406 176.026 174.900 -0.467 0.000 1.566 402 G CA 1.018 45.879 45.100 -0.397 0.000 0.887 402 G HN 0.526 nan 8.290 nan 0.000 0.423 403 L N 1.231 122.044 121.223 -0.684 0.000 2.107 403 L HA -0.251 4.088 4.340 -0.001 0.000 0.242 403 L C 0.504 177.132 176.870 -0.402 0.000 1.115 403 L CA 2.632 57.131 54.840 -0.568 0.000 0.842 403 L CB -1.781 39.839 42.059 -0.732 0.000 0.941 403 L HN 0.259 nan 8.230 nan 0.000 0.448 404 P HA -0.176 nan 4.420 nan 0.000 0.218 404 P C 1.355 178.440 177.300 -0.358 0.000 1.147 404 P CA 1.931 64.756 63.100 -0.458 0.000 0.827 404 P CB -0.006 31.383 31.700 -0.519 0.000 0.778 405 T N -2.986 111.388 114.554 -0.299 0.000 3.046 405 T HA 0.115 4.464 4.350 -0.001 0.000 0.242 405 T C 1.926 176.540 174.700 -0.143 0.000 1.018 405 T CA 0.865 62.839 62.100 -0.210 0.000 1.131 405 T CB -0.783 67.986 68.868 -0.166 0.000 0.904 405 T HN 0.085 nan 8.240 nan 0.000 0.459 406 G N 0.247 108.976 108.800 -0.119 0.000 2.402 406 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.216 406 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.216 406 G C 1.287 176.236 174.900 0.083 0.000 1.162 406 G CA 0.473 45.578 45.100 0.008 0.000 0.777 406 G HN 0.570 nan 8.290 nan 0.000 0.539 407 Y N 0.896 121.071 120.300 -0.208 0.000 2.070 407 Y HA -0.118 4.432 4.550 -0.001 0.000 0.280 407 Y C 2.470 178.026 175.900 -0.573 0.000 1.148 407 Y CA 1.015 58.820 58.100 -0.492 0.000 1.125 407 Y CB -0.091 38.005 38.460 -0.607 0.000 0.975 407 Y HN 0.088 nan 8.280 nan 0.000 0.492 408 I N 1.022 121.365 120.570 -0.378 0.000 3.241 408 I HA -0.247 3.923 4.170 -0.001 0.000 0.280 408 I C 1.748 177.728 176.117 -0.229 0.000 1.320 408 I CA 0.199 61.239 61.300 -0.433 0.000 1.413 408 I CB -0.086 37.691 38.000 -0.371 0.000 1.060 408 I HN 0.461 nan 8.210 nan 0.000 0.500 409 L N 0.180 121.328 121.223 -0.124 0.000 2.286 409 L HA 0.194 4.533 4.340 -0.001 0.000 0.203 409 L C 2.365 179.260 176.870 0.041 0.000 1.068 409 L CA 1.489 56.321 54.840 -0.013 0.000 0.811 409 L CB -1.139 40.942 42.059 0.036 0.000 0.989 409 L HN 0.192 nan 8.230 nan 0.000 0.467 410 G N -0.187 108.658 108.800 0.074 0.000 2.422 410 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.218 410 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.218 410 G C 1.458 176.315 174.900 -0.071 0.000 1.140 410 G CA 0.451 45.644 45.100 0.155 0.000 0.775 410 G HN 0.322 nan 8.290 nan 0.000 0.545 411 M N 0.606 119.919 119.600 -0.479 0.000 2.659 411 M HA 0.054 4.533 4.480 -0.001 0.000 0.243 411 M C 2.358 178.673 176.300 0.026 0.000 1.111 411 M CA 0.562 55.495 55.300 -0.611 0.000 1.070 411 M CB 0.121 32.147 32.600 -0.956 0.000 1.525 411 M HN 0.147 nan 8.290 nan 0.000 0.517 412 T N 0.469 115.055 114.554 0.054 0.000 3.055 412 T HA -0.065 4.284 4.350 -0.001 0.000 0.265 412 T C 1.443 176.247 174.700 0.173 0.000 1.111 412 T CA 1.292 63.442 62.100 0.083 0.000 1.118 412 T CB -0.179 68.721 68.868 0.053 0.000 0.909 412 T HN 0.483 nan 8.240 nan 0.000 0.501 413 N N 0.413 119.292 118.700 0.297 0.000 2.106 413 N HA -0.094 4.645 4.740 -0.001 0.000 0.188 413 N C 1.210 176.932 175.510 0.354 0.000 1.029 413 N CA 1.190 54.437 53.050 0.328 0.000 0.848 413 N CB -0.575 38.199 38.487 0.478 0.000 1.007 413 N HN 0.565 nan 8.380 nan 0.000 0.423 414 W N 0.381 121.675 121.300 -0.011 0.000 3.378 414 W HA 0.094 4.753 4.660 -0.001 0.000 0.314 414 W C 0.675 177.169 176.519 -0.042 0.000 1.275 414 W CA -0.481 56.842 57.345 -0.036 0.000 1.624 414 W CB 0.086 29.506 29.460 -0.066 0.000 0.974 414 W HN 0.238 nan 8.180 nan 0.000 0.762 415 L N -1.965 119.372 121.223 0.190 0.000 1.544 415 L HA -0.052 4.287 4.340 -0.001 0.000 0.069 415 L C 1.786 178.697 176.870 0.067 0.000 1.641 415 L CA 0.973 55.871 54.840 0.095 0.000 1.024 415 L CB -0.512 41.586 42.059 0.066 0.000 1.943 415 L HN -0.315 nan 8.230 nan 0.000 0.418 416 T N 0.729 115.321 114.554 0.064 0.000 2.558 416 T HA 0.141 4.490 4.350 -0.001 0.000 0.247 416 T C 0.020 174.757 174.700 0.062 0.000 1.146 416 T CA 0.818 62.949 62.100 0.050 0.000 1.289 416 T CB 0.119 69.015 68.868 0.046 0.000 0.905 416 T HN 0.409 nan 8.240 nan 0.000 0.397 417 E N -0.423 119.825 120.200 0.080 0.000 2.382 417 E HA 0.299 4.648 4.350 -0.001 0.000 0.280 417 E C -1.901 174.761 176.600 0.104 0.000 1.161 417 E CA -0.553 55.900 56.400 0.088 0.000 0.905 417 E CB 1.329 31.063 29.700 0.056 0.000 1.268 417 E HN 0.201 nan 8.360 nan 0.000 0.426 418 Q N 0.529 120.394 119.800 0.108 0.000 2.268 418 Q HA 0.379 4.719 4.340 -0.001 0.000 0.266 418 Q C -2.355 173.693 176.000 0.081 0.000 1.006 418 Q CA -1.566 54.304 55.803 0.112 0.000 0.824 418 Q CB 2.108 30.948 28.738 0.170 0.000 1.306 418 Q HN 0.076 nan 8.270 nan 0.000 0.424 419 P HA 0.139 nan 4.420 nan 0.000 0.271 419 P C -0.656 176.672 177.300 0.046 0.000 1.535 419 P CA 0.311 63.440 63.100 0.048 0.000 0.820 419 P CB 0.213 31.939 31.700 0.044 0.000 1.606 420 L N -1.932 119.328 121.223 0.061 0.000 5.572 420 L HA 0.014 4.353 4.340 -0.001 0.000 0.235 420 L C 0.775 177.714 176.870 0.114 0.000 1.147 420 L CA 0.267 55.144 54.840 0.061 0.000 0.755 420 L CB -0.532 41.548 42.059 0.035 0.000 1.457 420 L HN 0.168 nan 8.230 nan 0.000 0.229 421 G N 2.041 110.961 108.800 0.199 0.000 2.545 421 G HA2 0.211 4.170 3.960 -0.001 0.000 0.212 421 G HA3 0.211 4.170 3.960 -0.001 0.000 0.212 421 G C 1.318 176.426 174.900 0.347 0.000 1.144 421 G CA 1.122 46.469 45.100 0.412 0.000 0.813 421 G HN 0.901 nan 8.290 nan 0.000 0.531 422 A N 2.207 125.160 122.820 0.223 0.000 1.841 422 A HA -0.124 4.195 4.320 -0.001 0.000 0.216 422 A C 2.263 179.575 177.584 -0.453 0.000 1.199 422 A CA 2.549 54.557 52.037 -0.049 0.000 0.621 422 A CB -0.663 18.288 19.000 -0.082 0.000 0.835 422 A HN 0.458 nan 8.150 nan 0.000 0.445 423 K N -0.504 119.756 120.400 -0.233 0.000 2.063 423 K HA -0.076 4.244 4.320 -0.001 0.000 0.208 423 K C 1.985 178.490 176.600 -0.158 0.000 1.048 423 K CA 1.857 58.029 56.287 -0.192 0.000 0.928 423 K CB -1.063 31.409 32.500 -0.047 0.000 0.713 423 K HN 0.315 nan 8.250 nan 0.000 0.442 424 G N 1.959 110.741 108.800 -0.031 0.000 2.631 424 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.219 424 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.219 424 G C 1.428 176.381 174.900 0.088 0.000 1.214 424 G CA 1.318 46.461 45.100 0.073 0.000 0.785 424 G HN 0.624 nan 8.290 nan 0.000 0.596 425 F N -1.692 118.241 119.950 -0.028 0.000 2.604 425 F HA 0.259 4.785 4.527 -0.001 0.000 0.298 425 F C 2.205 178.088 175.800 0.139 0.000 1.131 425 F CA -0.127 57.851 58.000 -0.036 0.000 1.457 425 F CB -0.294 38.576 39.000 -0.216 0.000 1.095 425 F HN 0.239 nan 8.300 nan 0.000 0.574 426 W N 1.202 122.032 121.300 -0.784 0.000 2.378 426 W HA -0.165 4.494 4.660 -0.001 0.000 0.313 426 W C 2.501 179.132 176.519 0.188 0.000 1.197 426 W CA 1.099 57.983 57.345 -0.768 0.000 1.304 426 W CB -0.159 28.228 29.460 -1.789 0.000 1.148 426 W HN 0.222 nan 8.180 nan 0.000 0.494 427 L N 0.468 121.965 121.223 0.458 0.000 2.079 427 L HA -0.067 4.272 4.340 -0.001 0.000 0.210 427 L C 2.259 179.380 176.870 0.418 0.000 1.081 427 L CA 2.277 57.442 54.840 0.542 0.000 0.752 427 L CB -1.160 41.097 42.059 0.329 0.000 0.896 427 L HN 0.007 nan 8.230 nan 0.000 0.433 428 G N -0.445 108.558 108.800 0.338 0.000 2.475 428 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.220 428 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.220 428 G C 1.371 176.439 174.900 0.281 0.000 1.125 428 G CA 0.892 46.145 45.100 0.255 0.000 0.755 428 G HN 0.468 nan 8.290 nan 0.000 0.565 429 F N 1.249 121.423 119.950 0.372 0.000 2.171 429 F HA 0.011 4.537 4.527 -0.001 0.000 0.300 429 F C 2.456 178.448 175.800 0.321 0.000 1.090 429 F CA 0.186 58.419 58.000 0.389 0.000 1.293 429 F CB -0.053 39.314 39.000 0.610 0.000 1.013 429 F HN 0.008 nan 8.300 nan 0.000 0.486 430 I N 0.256 121.191 120.570 0.608 0.000 2.264 430 I HA -0.298 3.872 4.170 -0.001 0.000 0.248 430 I C 2.319 178.594 176.117 0.262 0.000 1.111 430 I CA 1.079 62.606 61.300 0.377 0.000 1.382 430 I CB -1.107 37.052 38.000 0.266 0.000 1.060 430 I HN 0.100 nan 8.210 nan 0.000 0.418 431 I N 0.598 121.295 120.570 0.212 0.000 2.756 431 I HA -0.139 4.030 4.170 -0.001 0.000 0.262 431 I C 2.481 178.654 176.117 0.093 0.000 1.225 431 I CA 1.032 62.404 61.300 0.120 0.000 1.472 431 I CB -1.810 36.234 38.000 0.073 0.000 1.094 431 I HN 0.161 nan 8.210 nan 0.000 0.454 432 G N 1.090 109.951 108.800 0.102 0.000 2.499 432 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.213 432 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.213 432 G C 1.528 176.674 174.900 0.409 0.000 1.230 432 G CA 0.071 45.138 45.100 -0.055 0.000 0.813 432 G HN 0.199 nan 8.290 nan 0.000 0.542 433 L N 1.596 123.198 121.223 0.631 0.000 2.189 433 L HA -0.098 4.241 4.340 -0.001 0.000 0.214 433 L C 3.097 180.104 176.870 0.229 0.000 1.097 433 L CA 1.544 56.653 54.840 0.449 0.000 0.764 433 L CB -0.694 41.421 42.059 0.093 0.000 0.900 433 L HN 0.169 nan 8.230 nan 0.000 0.436 434 S N -0.682 115.134 115.700 0.194 0.000 2.349 434 S HA -0.220 4.249 4.470 -0.001 0.000 0.216 434 S C 2.187 176.857 174.600 0.116 0.000 1.033 434 S CA 1.267 59.535 58.200 0.113 0.000 1.021 434 S CB -0.664 62.595 63.200 0.099 0.000 0.968 434 S HN 0.529 nan 8.310 nan 0.000 0.426 435 A N 1.829 124.735 122.820 0.144 0.000 1.903 435 A HA -0.079 4.240 4.320 -0.001 0.000 0.219 435 A C 2.304 179.984 177.584 0.160 0.000 1.191 435 A CA 2.161 54.277 52.037 0.131 0.000 0.638 435 A CB -1.370 17.704 19.000 0.123 0.000 0.823 435 A HN 0.548 nan 8.150 nan 0.000 0.451 436 A N -0.206 122.784 122.820 0.282 0.000 1.829 436 A HA 0.084 4.403 4.320 -0.001 0.000 0.216 436 A C 2.611 180.192 177.584 -0.006 0.000 1.207 436 A CA 2.907 55.048 52.037 0.173 0.000 0.622 436 A CB -1.543 17.502 19.000 0.076 0.000 0.846 436 A HN 1.430 nan 8.150 nan 0.000 0.447 437 A N -0.619 122.179 122.820 -0.037 0.000 1.929 437 A HA -0.272 4.048 4.320 -0.001 0.000 0.221 437 A C 2.305 179.843 177.584 -0.077 0.000 1.211 437 A CA 2.190 54.173 52.037 -0.091 0.000 0.657 437 A CB -0.914 18.046 19.000 -0.067 0.000 0.827 437 A HN 0.893 nan 8.150 nan 0.000 0.462 438 L N -1.735 119.470 121.223 -0.029 0.000 2.156 438 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 438 L C 2.568 179.419 176.870 -0.032 0.000 1.095 438 L CA 1.244 56.067 54.840 -0.027 0.000 0.770 438 L CB -0.192 41.867 42.059 -0.001 0.000 0.914 438 L HN 0.350 nan 8.230 nan 0.000 0.439 439 M N -0.639 118.953 119.600 -0.014 0.000 2.117 439 M HA -0.183 4.296 4.480 -0.001 0.000 0.262 439 M C 2.042 178.308 176.300 -0.058 0.000 1.065 439 M CA 1.496 56.791 55.300 -0.008 0.000 1.114 439 M CB -0.656 31.969 32.600 0.043 0.000 1.361 439 M HN 0.291 nan 8.290 nan 0.000 0.408 440 L N -1.476 119.676 121.223 -0.118 0.000 2.209 440 L HA 0.050 4.389 4.340 -0.001 0.000 0.207 440 L C 2.526 179.298 176.870 -0.164 0.000 1.094 440 L CA 1.346 56.071 54.840 -0.192 0.000 0.790 440 L CB -2.329 39.532 42.059 -0.331 0.000 0.932 440 L HN 0.279 nan 8.230 nan 0.000 0.447 441 G N -0.812 107.908 108.800 -0.133 0.000 2.471 441 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.219 441 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.219 441 G C 1.521 176.356 174.900 -0.108 0.000 1.125 441 G CA 0.376 45.402 45.100 -0.123 0.000 0.775 441 G HN 0.437 nan 8.290 nan 0.000 0.548 442 Q N -0.261 119.490 119.800 -0.082 0.000 2.389 442 Q HA 0.039 4.378 4.340 -0.001 0.000 0.204 442 Q C 1.813 177.777 176.000 -0.059 0.000 0.944 442 Q CA 0.136 55.905 55.803 -0.057 0.000 0.908 442 Q CB 0.153 28.872 28.738 -0.032 0.000 1.002 442 Q HN 0.245 nan 8.270 nan 0.000 0.493 443 R N 1.339 121.787 120.500 -0.087 0.000 2.978 443 R HA 0.124 4.463 4.340 -0.001 0.000 0.298 443 R C -0.638 175.613 176.300 -0.082 0.000 1.296 443 R CA -0.211 55.826 56.100 -0.105 0.000 1.181 443 R CB -0.752 29.463 30.300 -0.141 0.000 1.348 443 R HN 0.156 nan 8.270 nan 0.000 0.585 444 L N 2.571 123.752 121.223 -0.070 0.000 2.401 444 L HA 0.158 4.497 4.340 -0.001 0.000 0.283 444 L C -0.684 176.228 176.870 0.070 0.000 1.151 444 L CA 0.453 55.227 54.840 -0.110 0.000 0.942 444 L CB -0.792 41.111 42.059 -0.259 0.000 1.283 444 L HN 0.538 nan 8.230 nan 0.000 0.442 445 Y N 2.771 123.088 120.300 0.029 0.000 4.841 445 Y HA -0.305 4.244 4.550 -0.001 0.000 0.242 445 Y C 1.234 177.305 175.900 0.284 0.000 1.002 445 Y CA 0.893 59.077 58.100 0.140 0.000 2.011 445 Y CB -2.257 36.274 38.460 0.118 0.000 1.554 445 Y HN 0.763 nan 8.280 nan 0.000 0.618 446 W N -1.429 119.965 121.300 0.156 0.000 2.034 446 W HA -0.346 4.313 4.660 -0.001 0.000 0.277 446 W C 0.889 177.474 176.519 0.110 0.000 1.199 446 W CA 1.678 59.082 57.345 0.099 0.000 1.148 446 W CB -1.696 27.816 29.460 0.087 0.000 0.887 446 W HN -0.007 nan 8.180 nan 0.000 0.537 447 L N 2.260 123.710 121.223 0.377 0.000 3.035 447 L HA 0.403 4.742 4.340 -0.001 0.000 0.232 447 L C 0.652 177.644 176.870 0.202 0.000 1.341 447 L CA 0.608 55.575 54.840 0.211 0.000 1.177 447 L CB -0.589 41.537 42.059 0.111 0.000 1.555 447 L HN 0.361 nan 8.230 nan 0.000 0.473 448 Q N 0.846 120.842 119.800 0.327 0.000 0.989 448 Q HA -0.196 4.143 4.340 -0.001 0.000 0.283 448 Q C -0.189 175.898 176.000 0.145 0.000 1.047 448 Q CA 1.849 57.859 55.803 0.345 0.000 0.676 448 Q CB -0.561 28.313 28.738 0.227 0.000 4.453 448 Q HN 0.739 nan 8.270 nan 0.000 0.407 449 K N 0.888 121.296 120.400 0.012 0.000 2.578 449 K HA 0.542 4.861 4.320 -0.001 0.000 0.250 449 K C -0.535 176.028 176.600 -0.063 0.000 0.955 449 K CA -0.892 55.372 56.287 -0.039 0.000 0.825 449 K CB 2.259 34.688 32.500 -0.118 0.000 1.151 449 K HN 0.415 nan 8.250 nan 0.000 0.432 450 Q N 1.804 121.553 119.800 -0.084 0.000 3.078 450 Q HA 0.152 4.492 4.340 -0.001 0.000 0.202 450 Q C 1.036 176.965 176.000 -0.119 0.000 1.165 450 Q CA -0.260 55.490 55.803 -0.090 0.000 0.377 450 Q CB -0.791 27.896 28.738 -0.085 0.000 5.614 450 Q HN 0.690 nan 8.270 nan 0.000 0.305 451 S N -0.171 115.456 115.700 -0.121 0.000 2.710 451 S HA 0.038 4.507 4.470 -0.001 0.000 0.224 451 S C -0.106 174.390 174.600 -0.173 0.000 0.948 451 S CA 0.098 58.220 58.200 -0.129 0.000 0.949 451 S CB -0.256 62.884 63.200 -0.100 0.000 0.778 451 S HN 0.285 nan 8.310 nan 0.000 0.498 452 D N 2.423 122.697 120.400 -0.210 0.000 2.348 452 D HA -0.038 4.601 4.640 -0.001 0.000 0.211 452 D C 1.726 177.849 176.300 -0.295 0.000 0.998 452 D CA 0.719 54.541 54.000 -0.297 0.000 0.873 452 D CB -0.218 40.338 40.800 -0.407 0.000 0.925 452 D HN 0.701 nan 8.370 nan 0.000 0.524 453 D N 0.845 121.083 120.400 -0.269 0.000 2.144 453 D HA -0.131 4.508 4.640 -0.001 0.000 0.199 453 D C 1.891 177.781 176.300 -0.682 0.000 0.984 453 D CA 0.483 54.259 54.000 -0.373 0.000 0.834 453 D CB -0.452 40.141 40.800 -0.345 0.000 0.955 453 D HN 0.097 nan 8.370 nan 0.000 0.465 454 V N 0.377 120.006 119.914 -0.476 0.000 3.305 454 V HA -0.117 4.002 4.120 -0.001 0.000 0.269 454 V C 2.129 178.112 176.094 -0.186 0.000 1.157 454 V CA 1.037 63.131 62.300 -0.344 0.000 1.157 454 V CB -0.235 31.506 31.823 -0.136 0.000 0.772 454 V HN 0.061 nan 8.190 nan 0.000 0.498 455 Q N -0.392 119.284 119.800 -0.206 0.000 2.297 455 Q HA 0.060 4.400 4.340 -0.001 0.000 0.204 455 Q C 1.826 177.812 176.000 -0.022 0.000 0.962 455 Q CA 1.193 56.919 55.803 -0.129 0.000 0.879 455 Q CB 0.080 28.677 28.738 -0.234 0.000 0.947 455 Q HN 0.605 nan 8.270 nan 0.000 0.462 456 L N -1.320 119.883 121.223 -0.034 0.000 2.567 456 L HA 0.054 4.394 4.340 -0.001 0.000 0.225 456 L C 0.930 177.996 176.870 0.326 0.000 1.119 456 L CA 0.364 55.305 54.840 0.168 0.000 0.871 456 L CB -0.043 42.151 42.059 0.226 0.000 1.036 456 L HN 0.249 nan 8.230 nan 0.000 0.459 457 H N -1.600 117.484 119.070 0.024 0.000 2.893 457 H HA 0.180 4.735 4.556 -0.001 0.000 0.270 457 H C 0.973 176.300 175.328 -0.001 0.000 1.095 457 H CA -0.321 55.729 56.048 0.003 0.000 1.186 457 H CB 1.239 30.988 29.762 -0.022 0.000 1.562 457 H HN 0.095 nan 8.280 nan 0.000 0.536 458 L N -0.182 121.104 121.223 0.106 0.000 2.858 458 L HA 0.348 4.687 4.340 -0.001 0.000 0.251 458 L C 1.665 178.566 176.870 0.052 0.000 1.149 458 L CA 0.423 55.294 54.840 0.051 0.000 0.955 458 L CB 0.820 42.886 42.059 0.012 0.000 1.289 458 L HN 0.215 nan 8.230 nan 0.000 0.542 459 A N -1.784 121.086 122.820 0.083 0.000 2.358 459 A HA 0.683 5.002 4.320 -0.001 0.000 0.223 459 A C 1.811 179.447 177.584 0.087 0.000 1.218 459 A CA 0.784 52.872 52.037 0.086 0.000 0.942 459 A CB 0.152 19.225 19.000 0.121 0.000 1.005 459 A HN 0.165 nan 8.150 nan 0.000 0.514 460 A N -0.858 122.022 122.820 0.100 0.000 2.026 460 A HA 0.510 4.829 4.320 -0.001 0.000 0.198 460 A C 0.961 178.564 177.584 0.031 0.000 1.390 460 A CA 1.057 53.140 52.037 0.076 0.000 0.915 460 A CB 0.060 19.126 19.000 0.110 0.000 0.974 460 A HN 0.344 nan 8.150 nan 0.000 0.477 461 K N 0.000 120.425 120.400 0.041 0.000 2.780 461 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 461 K CA 0.000 56.294 56.287 0.012 0.000 0.838 461 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 461 K HN 0.000 nan 8.250 nan 0.000 0.543