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 2ha2_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GESAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcPXX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.612 176.600 0.019 0.000 1.382 1 E CA 0.000 56.415 56.400 0.025 0.000 0.976 1 E CB 0.000 29.718 29.700 0.030 0.000 0.812 2 G N 0.016 108.828 108.800 0.019 0.000 4.172 2 G HA2 -0.105 3.859 3.960 0.006 0.000 0.204 2 G HA3 -0.105 3.859 3.960 0.006 0.000 0.204 2 G C 0.429 175.338 174.900 0.015 0.000 1.256 2 G CA -0.354 44.755 45.100 0.015 0.000 0.886 2 G HN 0.218 nan 8.290 nan 0.000 0.344 3 R N 1.505 122.014 120.500 0.015 0.000 2.609 3 R HA 0.431 4.775 4.340 0.006 0.000 0.326 3 R C -0.089 176.221 176.300 0.016 0.000 1.090 3 R CA -0.017 56.091 56.100 0.013 0.000 1.072 3 R CB 0.453 30.759 30.300 0.009 0.000 1.330 3 R HN 0.595 nan 8.270 nan 0.000 0.572 4 E N 0.503 120.716 120.200 0.021 0.000 2.343 4 E HA 0.095 4.448 4.350 0.006 0.000 0.270 4 E C -1.302 175.320 176.600 0.037 0.000 0.895 4 E CA -0.708 55.708 56.400 0.026 0.000 0.767 4 E CB 1.747 31.463 29.700 0.027 0.000 1.248 4 E HN -0.124 nan 8.360 nan 0.000 0.440 5 D N 4.275 124.703 120.400 0.048 0.000 2.389 5 D HA 0.012 4.656 4.640 0.006 0.000 0.263 5 D C -1.446 174.897 176.300 0.072 0.000 1.255 5 D CA -1.601 52.443 54.000 0.073 0.000 0.914 5 D CB 1.174 42.039 40.800 0.108 0.000 1.116 5 D HN 0.228 nan 8.370 nan 0.000 0.502 6 P HA -0.147 nan 4.420 nan 0.000 0.228 6 P C 0.952 178.272 177.300 0.032 0.000 1.151 6 P CA 0.615 63.737 63.100 0.036 0.000 0.770 6 P CB 0.450 32.160 31.700 0.016 0.000 0.786 7 Q N -0.259 119.559 119.800 0.030 0.000 2.451 7 Q HA 0.097 4.440 4.340 0.006 0.000 0.206 7 Q C 1.574 177.650 176.000 0.126 0.000 0.947 7 Q CA 0.678 56.475 55.803 -0.010 0.000 0.937 7 Q CB -0.651 27.944 28.738 -0.239 0.000 1.025 7 Q HN 0.249 nan 8.270 nan 0.000 0.511 8 L N -0.192 121.130 121.223 0.164 0.000 2.808 8 L HA 0.328 4.671 4.340 0.006 0.000 0.246 8 L C -0.478 176.575 176.870 0.306 0.000 1.153 8 L CA -0.159 54.813 54.840 0.220 0.000 0.956 8 L CB 0.472 42.580 42.059 0.082 0.000 1.270 8 L HN 0.034 nan 8.230 nan 0.000 0.528 9 L N 0.784 122.135 121.223 0.214 0.000 2.298 9 L HA 0.587 4.931 4.340 0.006 0.000 0.284 9 L C -0.772 176.150 176.870 0.086 0.000 1.013 9 L CA -0.484 54.456 54.840 0.167 0.000 0.824 9 L CB 1.950 44.066 42.059 0.095 0.000 1.221 9 L HN -0.234 nan 8.230 nan 0.000 0.418 10 V N 3.264 123.205 119.914 0.044 0.000 2.925 10 V HA 0.497 4.620 4.120 0.006 0.000 0.311 10 V C -0.509 175.514 176.094 -0.118 0.000 1.104 10 V CA -0.750 61.437 62.300 -0.189 0.000 0.954 10 V CB 2.870 34.309 31.823 -0.641 0.000 1.022 10 V HN 0.724 nan 8.190 nan 0.000 0.427 11 R N 2.392 122.795 120.500 -0.162 0.000 2.393 11 R HA 0.819 5.163 4.340 0.006 0.000 0.310 11 R C -0.777 175.441 176.300 -0.136 0.000 0.968 11 R CA -0.324 55.722 56.100 -0.091 0.000 0.867 11 R CB 1.831 32.079 30.300 -0.087 0.000 1.124 11 R HN 0.707 nan 8.270 nan 0.000 0.450 12 V N 1.765 121.661 119.914 -0.031 0.000 3.204 12 V HA 0.508 4.632 4.120 0.006 0.000 0.316 12 V C 1.156 177.183 176.094 -0.112 0.000 1.160 12 V CA -0.944 61.331 62.300 -0.041 0.000 1.044 12 V CB 1.556 33.499 31.823 0.199 0.000 1.136 12 V HN 0.832 nan 8.190 nan 0.000 0.455 13 R N 1.298 121.716 120.500 -0.137 0.000 2.117 13 R HA -0.005 4.339 4.340 0.006 0.000 0.243 13 R C 1.834 178.004 176.300 -0.217 0.000 1.143 13 R CA 2.344 58.354 56.100 -0.151 0.000 0.968 13 R CB -1.219 29.007 30.300 -0.122 0.000 0.863 13 R HN 1.027 nan 8.270 nan 0.000 0.444 14 G N -1.916 106.711 108.800 -0.289 0.000 2.712 14 G HA2 0.368 4.332 3.960 0.006 0.000 0.212 14 G HA3 0.368 4.332 3.960 0.006 0.000 0.212 14 G C 0.381 174.432 174.900 -1.415 0.000 1.142 14 G CA 0.417 45.093 45.100 -0.708 0.000 0.789 14 G HN 0.738 nan 8.290 nan 0.000 0.535 15 G N -1.127 107.111 108.800 -0.938 0.000 2.302 15 G HA2 0.075 4.039 3.960 0.006 0.000 0.276 15 G HA3 0.075 4.039 3.960 0.006 0.000 0.276 15 G C -1.134 173.701 174.900 -0.109 0.000 1.316 15 G CA -0.920 43.744 45.100 -0.726 0.000 0.988 15 G HN 0.288 nan 8.290 nan 0.000 0.479 16 Q N -0.338 119.557 119.800 0.158 0.000 2.259 16 Q HA 0.687 5.031 4.340 0.006 0.000 0.249 16 Q C -0.331 175.952 176.000 0.471 0.000 0.914 16 Q CA -0.174 55.790 55.803 0.268 0.000 0.904 16 Q CB 1.549 30.393 28.738 0.176 0.000 1.213 16 Q HN 0.449 nan 8.270 nan 0.000 0.428 17 L N 1.687 123.115 121.223 0.342 0.000 2.341 17 L HA 0.632 4.976 4.340 0.006 0.000 0.267 17 L C -0.476 176.578 176.870 0.306 0.000 1.009 17 L CA -0.855 54.196 54.840 0.352 0.000 0.819 17 L CB 2.155 44.471 42.059 0.427 0.000 1.323 17 L HN 0.471 nan 8.230 nan 0.000 0.425 18 R N 0.637 121.290 120.500 0.255 0.000 2.439 18 R HA 0.637 4.981 4.340 0.006 0.000 0.310 18 R C -0.359 176.008 176.300 0.111 0.000 0.955 18 R CA -0.330 55.886 56.100 0.193 0.000 0.853 18 R CB 1.726 32.080 30.300 0.089 0.000 1.171 18 R HN 0.808 nan 8.270 nan 0.000 0.449 19 G N 3.289 112.067 108.800 -0.038 0.000 2.583 19 G HA2 0.473 4.437 3.960 0.006 0.000 0.280 19 G HA3 0.473 4.437 3.960 0.006 0.000 0.280 19 G C -0.996 173.667 174.900 -0.396 0.000 1.376 19 G CA -0.731 44.000 45.100 -0.616 0.000 1.043 19 G HN 0.582 nan 8.290 nan 0.000 0.538 20 I N -0.846 119.449 120.570 -0.460 0.000 2.647 20 I HA 0.494 4.668 4.170 0.006 0.000 0.295 20 I C -0.159 175.818 176.117 -0.235 0.000 1.078 20 I CA -1.117 60.018 61.300 -0.274 0.000 1.048 20 I CB 2.103 39.953 38.000 -0.250 0.000 1.239 20 I HN 0.409 nan 8.210 nan 0.000 0.421 21 R N 7.669 128.065 120.500 -0.174 0.000 2.210 21 R HA 0.514 4.858 4.340 0.006 0.000 0.338 21 R C -1.616 174.565 176.300 -0.198 0.000 1.062 21 R CA -0.328 55.642 56.100 -0.217 0.000 0.902 21 R CB 0.449 30.557 30.300 -0.319 0.000 1.050 21 R HN 0.619 nan 8.270 nan 0.000 0.461 22 L N 4.187 125.314 121.223 -0.161 0.000 2.334 22 L HA 0.455 4.798 4.340 0.006 0.000 0.272 22 L C -0.030 176.762 176.870 -0.130 0.000 1.020 22 L CA -0.979 53.789 54.840 -0.120 0.000 0.812 22 L CB 1.946 43.969 42.059 -0.059 0.000 1.264 22 L HN 0.467 nan 8.230 nan 0.000 0.439 23 K N 2.000 122.331 120.400 -0.116 0.000 2.262 23 K HA 0.569 4.892 4.320 0.006 0.000 0.282 23 K C -0.416 176.112 176.600 -0.120 0.000 1.066 23 K CA -0.338 55.885 56.287 -0.107 0.000 0.901 23 K CB 1.496 33.947 32.500 -0.081 0.000 1.089 23 K HN 0.640 nan 8.250 nan 0.000 0.476 24 A N 4.387 127.133 122.820 -0.123 0.000 2.282 24 A HA 0.394 4.718 4.320 0.006 0.000 0.319 24 A C -1.717 175.849 177.584 -0.031 0.000 1.121 24 A CA -1.601 50.347 52.037 -0.149 0.000 0.836 24 A CB 0.295 19.192 19.000 -0.171 0.000 1.146 24 A HN 0.445 nan 8.150 nan 0.000 0.494 25 P HA -0.133 nan 4.420 nan 0.000 0.216 25 P C 1.366 178.689 177.300 0.040 0.000 1.150 25 P CA 2.081 65.221 63.100 0.067 0.000 0.843 25 P CB 0.160 31.933 31.700 0.122 0.000 0.787 26 G N -2.212 106.614 108.800 0.043 0.000 2.880 26 G HA2 0.410 4.374 3.960 0.006 0.000 0.209 26 G HA3 0.410 4.374 3.960 0.006 0.000 0.209 26 G C 0.590 175.503 174.900 0.022 0.000 1.157 26 G CA 0.557 45.676 45.100 0.033 0.000 0.779 26 G HN 0.627 nan 8.290 nan 0.000 0.539 27 G N -0.691 108.114 108.800 0.008 0.000 2.359 27 G HA2 0.373 4.336 3.960 0.006 0.000 0.293 27 G HA3 0.373 4.336 3.960 0.006 0.000 0.293 27 G C -3.398 171.487 174.900 -0.025 0.000 1.300 27 G CA -0.625 44.475 45.100 -0.000 0.000 0.888 27 G HN 0.050 nan 8.290 nan 0.000 0.541 28 P HA 0.553 nan 4.420 nan 0.000 0.277 28 P C -0.041 177.250 177.300 -0.015 0.000 1.240 28 P CA -0.294 62.730 63.100 -0.126 0.000 0.798 28 P CB 1.738 33.226 31.700 -0.353 0.000 0.979 29 V N -1.516 118.386 119.914 -0.019 0.000 3.102 29 V HA 0.686 4.810 4.120 0.006 0.000 0.312 29 V C -0.416 175.757 176.094 0.133 0.000 1.135 29 V CA -0.921 61.453 62.300 0.123 0.000 1.022 29 V CB 1.748 33.650 31.823 0.132 0.000 1.056 29 V HN 0.446 nan 8.190 nan 0.000 0.436 30 S N 1.503 117.352 115.700 0.249 0.000 2.480 30 S HA 0.870 5.344 4.470 0.006 0.000 0.286 30 S C -0.028 174.592 174.600 0.033 0.000 1.180 30 S CA 0.019 58.321 58.200 0.170 0.000 1.075 30 S CB 1.219 64.635 63.200 0.360 0.000 0.996 30 S HN 1.571 nan 8.310 nan 0.000 0.487 31 A N 2.575 125.216 122.820 -0.298 0.000 2.356 31 A HA 0.806 5.129 4.320 0.006 0.000 0.310 31 A C -1.295 175.853 177.584 -0.727 0.000 1.075 31 A CA -0.636 51.123 52.037 -0.463 0.000 0.746 31 A CB 0.535 19.232 19.000 -0.505 0.000 1.221 31 A HN 0.681 nan 8.150 nan 0.000 0.443 32 F N 2.678 122.461 119.950 -0.278 0.000 2.434 32 F HA 0.471 5.001 4.527 0.006 0.000 0.367 32 F C -0.269 175.342 175.800 -0.314 0.000 1.093 32 F CA -0.279 57.626 58.000 -0.158 0.000 1.085 32 F CB 1.265 40.311 39.000 0.078 0.000 1.322 32 F HN 0.341 nan 8.300 nan 0.000 0.452 33 L N 2.168 123.224 121.223 -0.278 0.000 2.317 33 L HA 0.725 5.069 4.340 0.006 0.000 0.281 33 L C 0.842 177.591 176.870 -0.203 0.000 1.024 33 L CA -0.924 53.691 54.840 -0.375 0.000 0.810 33 L CB 1.765 43.400 42.059 -0.707 0.000 1.240 33 L HN 0.802 nan 8.230 nan 0.000 0.427 34 G N 3.206 111.948 108.800 -0.096 0.000 2.171 34 G HA2 -0.235 3.729 3.960 0.006 0.000 0.238 34 G HA3 -0.235 3.729 3.960 0.006 0.000 0.238 34 G C -0.145 174.784 174.900 0.048 0.000 1.039 34 G CA -0.472 44.582 45.100 -0.075 0.000 0.759 34 G HN 0.490 nan 8.290 nan 0.000 0.501 35 I N 2.262 122.883 120.570 0.085 0.000 2.379 35 I HA 0.216 4.389 4.170 0.006 0.000 0.290 35 I C -1.466 174.734 176.117 0.138 0.000 1.063 35 I CA -2.063 59.281 61.300 0.072 0.000 1.351 35 I CB 0.894 38.881 38.000 -0.021 0.000 1.410 35 I HN -0.033 nan 8.210 nan 0.000 0.505 36 P HA -0.014 nan 4.420 nan 0.000 0.271 36 P C -0.090 177.181 177.300 -0.048 0.000 1.226 36 P CA 0.101 63.110 63.100 -0.152 0.000 0.765 36 P CB 0.378 32.006 31.700 -0.121 0.000 0.835 37 F N 1.478 121.297 119.950 -0.219 0.000 2.706 37 F HA 0.692 5.223 4.527 0.007 0.000 0.308 37 F C 0.182 175.984 175.800 0.004 0.000 1.095 37 F CA -0.660 57.282 58.000 -0.097 0.000 1.244 37 F CB 0.227 39.091 39.000 -0.227 0.000 1.063 37 F HN 0.317 nan 8.300 nan 0.000 0.582 38 A N 0.063 122.595 122.820 -0.480 0.000 2.594 38 A HA 0.584 4.908 4.320 0.006 0.000 0.291 38 A C -0.845 176.585 177.584 -0.257 0.000 1.105 38 A CA -0.812 51.044 52.037 -0.303 0.000 0.694 38 A CB 0.944 19.683 19.000 -0.435 0.000 1.291 38 A HN 0.051 nan 8.150 nan 0.000 0.410 39 E N 1.109 121.232 120.200 -0.128 0.000 2.392 39 E HA 0.247 4.601 4.350 0.006 0.000 0.264 39 E C -2.317 174.190 176.600 -0.154 0.000 1.024 39 E CA -1.346 54.993 56.400 -0.100 0.000 0.903 39 E CB 0.001 29.678 29.700 -0.039 0.000 0.963 39 E HN 0.240 nan 8.360 nan 0.000 0.432 40 P HA 0.015 nan 4.420 nan 0.000 0.262 40 P C -2.240 174.993 177.300 -0.111 0.000 1.199 40 P CA -0.788 62.230 63.100 -0.138 0.000 0.763 40 P CB -0.038 31.616 31.700 -0.077 0.000 0.790 41 P HA 0.028 nan 4.420 nan 0.000 0.220 41 P C -0.389 176.846 177.300 -0.108 0.000 1.806 41 P CA 0.016 63.054 63.100 -0.103 0.000 0.976 41 P CB -0.038 31.601 31.700 -0.102 0.000 1.952 42 V N -2.350 117.509 119.914 -0.092 0.000 3.019 42 V HA 0.908 5.031 4.120 0.006 0.000 0.317 42 V C 0.861 176.909 176.094 -0.076 0.000 1.094 42 V CA 0.149 62.394 62.300 -0.093 0.000 1.000 42 V CB 0.948 32.727 31.823 -0.074 0.000 1.060 42 V HN 0.563 nan 8.190 nan 0.000 0.443 43 G N 2.821 111.576 108.800 -0.076 0.000 2.591 43 G HA2 -0.341 3.623 3.960 0.006 0.000 0.298 43 G HA3 -0.341 3.623 3.960 0.006 0.000 0.298 43 G C 1.250 176.118 174.900 -0.054 0.000 1.195 43 G CA 1.663 46.730 45.100 -0.054 0.000 0.989 43 G HN 2.420 nan 8.290 nan 0.000 0.551 44 S N 0.509 116.191 115.700 -0.028 0.000 2.493 44 S HA -0.045 4.429 4.470 0.006 0.000 0.243 44 S C 1.930 176.521 174.600 -0.016 0.000 0.991 44 S CA 1.780 59.973 58.200 -0.012 0.000 0.957 44 S CB -0.127 63.073 63.200 0.000 0.000 0.756 44 S HN 0.669 nan 8.310 nan 0.000 0.521 45 R N 0.911 121.387 120.500 -0.040 0.000 2.276 45 R HA 0.226 4.570 4.340 0.006 0.000 0.196 45 R C 0.945 177.199 176.300 -0.077 0.000 0.961 45 R CA -0.091 55.984 56.100 -0.042 0.000 1.024 45 R CB -0.321 29.950 30.300 -0.048 0.000 0.940 45 R HN 0.478 nan 8.270 nan 0.000 0.480 46 R N 0.786 121.193 120.500 -0.156 0.000 2.570 46 R HA -0.096 4.248 4.340 0.006 0.000 0.277 46 R C -0.160 175.937 176.300 -0.337 0.000 1.039 46 R CA 0.448 56.326 56.100 -0.369 0.000 1.065 46 R CB 0.122 30.064 30.300 -0.597 0.000 0.964 46 R HN 0.061 nan 8.270 nan 0.000 0.428 47 F N -0.891 119.067 119.950 0.013 0.000 2.705 47 F HA -0.327 4.203 4.527 0.006 0.000 0.413 47 F C 0.217 176.002 175.800 -0.024 0.000 0.588 47 F CA 0.743 58.727 58.000 -0.026 0.000 1.187 47 F CB -1.646 37.327 39.000 -0.045 0.000 1.737 47 F HN 0.472 nan 8.300 nan 0.000 0.285 48 M N 1.326 120.990 119.600 0.107 0.000 2.342 48 M HA 0.389 4.873 4.480 0.006 0.000 0.332 48 M C -1.936 174.391 176.300 0.045 0.000 1.166 48 M CA -1.460 53.883 55.300 0.072 0.000 1.086 48 M CB 0.594 33.224 32.600 0.049 0.000 1.541 48 M HN -0.368 nan 8.290 nan 0.000 0.462 49 P HA 0.024 nan 4.420 nan 0.000 0.266 49 P C -2.424 174.902 177.300 0.044 0.000 1.186 49 P CA -0.405 62.726 63.100 0.053 0.000 0.767 49 P CB -0.495 31.245 31.700 0.066 0.000 0.820 50 P HA 0.166 nan 4.420 nan 0.000 0.275 50 P C -0.609 176.721 177.300 0.050 0.000 1.228 50 P CA 0.097 63.220 63.100 0.038 0.000 0.786 50 P CB 0.888 32.630 31.700 0.069 0.000 0.927 51 E N 3.225 123.438 120.200 0.023 0.000 2.175 51 E HA 0.328 4.682 4.350 0.006 0.000 0.278 51 E C -2.179 174.447 176.600 0.044 0.000 0.969 51 E CA -2.317 54.104 56.400 0.036 0.000 0.796 51 E CB 0.794 30.506 29.700 0.020 0.000 1.104 51 E HN 0.352 nan 8.360 nan 0.000 0.395 52 P HA -0.053 nan 4.420 nan 0.000 0.267 52 P C -0.696 176.664 177.300 0.100 0.000 1.200 52 P CA -0.208 62.964 63.100 0.120 0.000 0.772 52 P CB 0.443 32.223 31.700 0.134 0.000 0.855 53 K N 3.564 124.043 120.400 0.132 0.000 2.447 53 K HA 0.038 4.361 4.320 0.006 0.000 0.281 53 K C 0.109 176.810 176.600 0.168 0.000 1.031 53 K CA 0.399 56.772 56.287 0.143 0.000 1.019 53 K CB 0.052 32.682 32.500 0.218 0.000 0.918 53 K HN 0.273 nan 8.250 nan 0.000 0.476 54 R N 5.281 125.864 120.500 0.138 0.000 2.543 54 R HA 0.166 4.510 4.340 0.006 0.000 0.277 54 R C -1.987 174.404 176.300 0.151 0.000 1.074 54 R CA -1.691 54.477 56.100 0.113 0.000 1.076 54 R CB 0.117 30.468 30.300 0.085 0.000 0.993 54 R HN 0.582 nan 8.270 nan 0.000 0.459 55 P HA -0.104 nan 4.420 nan 0.000 0.266 55 P C -1.056 176.262 177.300 0.030 0.000 1.193 55 P CA 0.222 63.246 63.100 -0.127 0.000 0.770 55 P CB 0.300 31.889 31.700 -0.185 0.000 0.836 56 W N 0.997 122.332 121.300 0.059 0.000 2.655 56 W HA 0.686 5.350 4.660 0.006 0.000 0.358 56 W C -0.641 175.905 176.519 0.044 0.000 1.100 56 W CA -0.969 56.407 57.345 0.052 0.000 1.195 56 W CB 0.046 29.544 29.460 0.063 0.000 1.403 56 W HN 0.355 nan 8.180 nan 0.000 0.589 57 S N 1.320 117.189 115.700 0.281 0.000 2.617 57 S HA 0.844 5.318 4.470 0.006 0.000 0.283 57 S C 0.399 175.161 174.600 0.271 0.000 1.189 57 S CA -0.012 58.291 58.200 0.173 0.000 1.036 57 S CB 0.947 64.210 63.200 0.105 0.000 1.014 57 S HN 2.108 nan 8.310 nan 0.000 0.522 58 G N 0.276 109.190 108.800 0.190 0.000 2.642 58 G HA2 -0.127 3.836 3.960 0.006 0.000 0.231 58 G HA3 -0.127 3.836 3.960 0.006 0.000 0.231 58 G C -0.822 174.245 174.900 0.278 0.000 1.338 58 G CA -0.372 44.839 45.100 0.185 0.000 0.883 58 G HN 1.606 nan 8.290 nan 0.000 0.570 59 V N 0.922 120.961 119.914 0.208 0.000 2.347 59 V HA 0.537 4.661 4.120 0.006 0.000 0.280 59 V C 0.805 176.985 176.094 0.144 0.000 1.021 59 V CA -0.278 62.151 62.300 0.215 0.000 0.847 59 V CB 1.177 33.081 31.823 0.136 0.000 0.990 59 V HN 0.815 nan 8.190 nan 0.000 0.444 60 L N 4.688 125.989 121.223 0.130 0.000 2.360 60 L HA 0.317 4.661 4.340 0.006 0.000 0.276 60 L C 0.618 177.461 176.870 -0.046 0.000 1.121 60 L CA 0.072 54.825 54.840 -0.144 0.000 0.845 60 L CB 0.646 42.334 42.059 -0.619 0.000 1.143 60 L HN 0.672 nan 8.230 nan 0.000 0.452 61 D N 4.938 125.291 120.400 -0.079 0.000 2.338 61 D HA 0.125 4.769 4.640 0.006 0.000 0.255 61 D C -0.306 175.944 176.300 -0.083 0.000 1.237 61 D CA 0.038 54.002 54.000 -0.060 0.000 0.883 61 D CB 1.397 42.152 40.800 -0.075 0.000 1.087 61 D HN 0.675 nan 8.370 nan 0.000 0.485 62 A N 3.280 126.076 122.820 -0.040 0.000 3.106 62 A HA 0.184 4.508 4.320 0.006 0.000 0.306 62 A C 1.126 178.611 177.584 -0.165 0.000 1.192 62 A CA -0.406 51.597 52.037 -0.057 0.000 0.994 62 A CB -0.143 18.929 19.000 0.120 0.000 1.107 62 A HN 0.574 nan 8.150 nan 0.000 0.585 63 T N -3.259 111.182 114.554 -0.188 0.000 3.001 63 T HA 0.222 4.575 4.350 0.006 0.000 0.251 63 T C 0.742 175.274 174.700 -0.281 0.000 1.040 63 T CA 0.855 62.815 62.100 -0.233 0.000 0.985 63 T CB -0.189 68.577 68.868 -0.169 0.000 1.011 63 T HN 0.656 nan 8.240 nan 0.000 0.509 64 T N -0.365 114.023 114.554 -0.276 0.000 2.903 64 T HA 0.690 5.043 4.350 0.006 0.000 0.299 64 T C -0.689 173.834 174.700 -0.294 0.000 1.093 64 T CA -0.918 61.010 62.100 -0.287 0.000 1.002 64 T CB 1.048 69.819 68.868 -0.162 0.000 1.127 64 T HN 0.005 nan 8.240 nan 0.000 0.488 65 F N 1.921 121.792 119.950 -0.132 0.000 2.595 65 F HA 0.430 4.960 4.527 0.006 0.000 0.359 65 F C 1.080 176.772 175.800 -0.181 0.000 1.147 65 F CA 0.077 57.999 58.000 -0.128 0.000 1.341 65 F CB 0.451 39.403 39.000 -0.080 0.000 1.104 65 F HN 0.623 nan 8.300 nan 0.000 0.603 66 Q N 1.601 121.400 119.800 -0.002 0.000 2.364 66 Q HA 0.346 4.689 4.340 0.006 0.000 0.204 66 Q C -0.498 175.423 176.000 -0.133 0.000 1.002 66 Q CA -0.651 54.998 55.803 -0.256 0.000 1.012 66 Q CB 0.576 28.880 28.738 -0.723 0.000 1.188 66 Q HN 0.503 nan 8.270 nan 0.000 0.522 67 N N -0.614 117.987 118.700 -0.166 0.000 2.453 67 N HA 0.086 4.829 4.740 0.006 0.000 0.253 67 N C -0.831 174.662 175.510 -0.027 0.000 1.252 67 N CA 0.024 53.028 53.050 -0.076 0.000 0.917 67 N CB 0.456 38.911 38.487 -0.052 0.000 1.117 67 N HN 0.280 nan 8.380 nan 0.000 0.442 68 V N 1.484 121.354 119.914 -0.073 0.000 2.546 68 V HA 0.091 4.215 4.120 0.006 0.000 0.284 68 V C 0.682 176.729 176.094 -0.077 0.000 1.050 68 V CA -0.863 61.386 62.300 -0.085 0.000 0.981 68 V CB 0.947 32.686 31.823 -0.140 0.000 0.990 68 V HN 0.703 nan 8.190 nan 0.000 0.474 69 c N 4.137 122.714 118.600 -0.037 0.000 2.634 69 c HA 0.098 4.672 4.570 0.006 0.000 0.417 69 c C 0.539 174.605 174.090 -0.040 0.000 1.334 69 c CA -0.561 55.753 56.329 -0.025 0.000 1.829 69 c CB -1.102 41.426 42.510 0.030 0.000 2.665 69 c HN 0.762 nan 8.230 nan 0.000 0.614 70 Y N 3.736 123.918 120.300 -0.197 0.000 2.717 70 Y HA 0.229 4.783 4.550 0.006 0.000 0.330 70 Y C 0.870 176.817 175.900 0.079 0.000 1.217 70 Y CA 0.970 58.967 58.100 -0.172 0.000 1.506 70 Y CB 0.185 38.346 38.460 -0.500 0.000 1.268 70 Y HN 0.740 nan 8.280 nan 0.000 0.561 71 Q N 4.060 124.015 119.800 0.259 0.000 2.578 71 Q HA 0.194 4.538 4.340 0.006 0.000 0.284 71 Q C -1.753 174.478 176.000 0.385 0.000 0.960 71 Q CA -1.223 54.812 55.803 0.386 0.000 0.809 71 Q CB 1.208 30.100 28.738 0.257 0.000 1.462 71 Q HN 0.664 nan 8.270 nan 0.000 0.392 72 Y N 1.131 121.680 120.300 0.416 0.000 2.811 72 Y HA 0.249 4.803 4.550 0.006 0.000 0.334 72 Y C -0.968 175.118 175.900 0.310 0.000 1.247 72 Y CA 0.617 58.968 58.100 0.418 0.000 1.526 72 Y CB 0.729 39.577 38.460 0.647 0.000 1.284 72 Y HN 0.440 nan 8.280 nan 0.000 0.586 73 V N 6.957 126.652 119.914 -0.365 0.000 2.448 73 V HA 0.105 4.228 4.120 0.006 0.000 0.295 73 V C -0.281 175.571 176.094 -0.404 0.000 1.025 73 V CA -1.257 60.911 62.300 -0.220 0.000 0.859 73 V CB 1.557 33.295 31.823 -0.141 0.000 0.988 73 V HN 0.777 nan 8.190 nan 0.000 0.431 74 D N 3.203 123.595 120.400 -0.014 0.000 2.450 74 D HA 0.037 4.681 4.640 0.006 0.000 0.247 74 D C 0.935 177.290 176.300 0.092 0.000 1.162 74 D CA 0.511 54.611 54.000 0.168 0.000 0.879 74 D CB 1.698 42.713 40.800 0.358 0.000 1.163 74 D HN 0.776 nan 8.370 nan 0.000 0.472 75 T N 1.249 115.862 114.554 0.097 0.000 3.010 75 T HA -0.028 4.326 4.350 0.006 0.000 0.257 75 T C 1.864 176.591 174.700 0.044 0.000 1.020 75 T CA -0.418 61.715 62.100 0.055 0.000 0.938 75 T CB 0.213 69.088 68.868 0.012 0.000 1.049 75 T HN 0.244 nan 8.240 nan 0.000 0.522 76 L N 0.944 122.204 121.223 0.061 0.000 2.013 76 L HA 0.027 4.370 4.340 0.006 0.000 0.212 76 L C -0.192 176.380 176.870 -0.497 0.000 1.073 76 L CA 1.675 56.356 54.840 -0.265 0.000 0.753 76 L CB -0.548 41.272 42.059 -0.399 0.000 0.890 76 L HN 0.408 nan 8.230 nan 0.000 0.432 77 Y N 0.173 120.516 120.300 0.072 0.000 2.705 77 Y HA 0.392 4.946 4.550 0.006 0.000 0.355 77 Y C -2.178 173.766 175.900 0.073 0.000 1.039 77 Y CA -3.374 54.725 58.100 -0.002 0.000 1.233 77 Y CB -0.091 38.283 38.460 -0.144 0.000 1.103 77 Y HN 0.095 nan 8.280 nan 0.000 0.624 78 P HA 0.145 nan 4.420 nan 0.000 0.267 78 P C 0.947 178.315 177.300 0.114 0.000 1.209 78 P CA 1.098 64.267 63.100 0.114 0.000 0.763 78 P CB 1.128 32.863 31.700 0.060 0.000 0.816 79 G N 2.295 111.154 108.800 0.098 0.000 2.157 79 G HA2 -0.250 3.713 3.960 0.006 0.000 0.239 79 G HA3 -0.250 3.713 3.960 0.006 0.000 0.239 79 G C -0.435 174.514 174.900 0.082 0.000 0.982 79 G CA -0.251 44.885 45.100 0.061 0.000 0.650 79 G HN 0.572 nan 8.290 nan 0.000 0.527 80 F N 1.254 121.163 119.950 -0.069 0.000 2.426 80 F HA 0.707 5.237 4.527 0.006 0.000 0.348 80 F C 1.079 176.777 175.800 -0.171 0.000 1.124 80 F CA -0.939 56.971 58.000 -0.151 0.000 1.008 80 F CB 1.823 40.711 39.000 -0.188 0.000 1.139 80 F HN 0.028 nan 8.300 nan 0.000 0.452 81 E N 3.872 123.633 120.200 -0.731 0.000 2.160 81 E HA -0.040 4.314 4.350 0.006 0.000 0.195 81 E C 2.107 178.237 176.600 -0.784 0.000 0.991 81 E CA 1.860 57.887 56.400 -0.622 0.000 0.810 81 E CB -0.419 28.996 29.700 -0.475 0.000 0.742 81 E HN 0.918 nan 8.360 nan 0.000 0.466 82 G N -0.563 107.237 108.800 -1.667 0.000 2.442 82 G HA2 -0.330 3.634 3.960 0.006 0.000 0.219 82 G HA3 -0.330 3.634 3.960 0.006 0.000 0.219 82 G C 1.731 176.583 174.900 -0.080 0.000 1.141 82 G CA 1.781 46.127 45.100 -1.257 0.000 0.763 82 G HN 0.504 nan 8.290 nan 0.000 0.554 83 T N -2.010 112.528 114.554 -0.027 0.000 3.021 83 T HA 0.127 4.481 4.350 0.006 0.000 0.245 83 T C 1.916 176.794 174.700 0.297 0.000 1.028 83 T CA 0.878 63.277 62.100 0.499 0.000 1.139 83 T CB -0.002 69.240 68.868 0.624 0.000 0.884 83 T HN 0.165 nan 8.240 nan 0.000 0.457 84 E N 2.174 122.405 120.200 0.052 0.000 2.265 84 E HA -0.086 4.267 4.350 0.006 0.000 0.196 84 E C 2.150 178.665 176.600 -0.141 0.000 0.996 84 E CA 1.245 57.631 56.400 -0.024 0.000 0.832 84 E CB -0.503 29.150 29.700 -0.079 0.000 0.756 84 E HN 0.815 nan 8.360 nan 0.000 0.491 85 M N -2.381 117.041 119.600 -0.297 0.000 2.460 85 M HA -0.047 4.436 4.480 0.006 0.000 0.263 85 M C 1.139 177.003 176.300 -0.728 0.000 1.071 85 M CA 1.339 56.290 55.300 -0.582 0.000 1.096 85 M CB -0.362 31.778 32.600 -0.768 0.000 1.408 85 M HN -0.016 nan 8.290 nan 0.000 0.463 86 W N 0.609 121.852 121.300 -0.095 0.000 3.177 86 W HA 0.330 4.993 4.660 0.006 0.000 0.309 86 W C 0.247 176.697 176.519 -0.114 0.000 1.224 86 W CA -0.924 56.349 57.345 -0.120 0.000 1.718 86 W CB -0.187 29.250 29.460 -0.039 0.000 1.078 86 W HN 0.079 nan 8.180 nan 0.000 0.618 87 N N 1.708 120.449 118.700 0.069 0.000 2.467 87 N HA 0.156 4.899 4.740 0.006 0.000 0.262 87 N C -2.405 173.058 175.510 -0.079 0.000 1.234 87 N CA -1.537 51.523 53.050 0.016 0.000 0.952 87 N CB -0.118 38.378 38.487 0.015 0.000 1.158 87 N HN -0.322 nan 8.380 nan 0.000 0.463 88 P HA 0.074 nan 4.420 nan 0.000 0.265 88 P C 0.205 177.420 177.300 -0.143 0.000 1.193 88 P CA -0.004 63.014 63.100 -0.136 0.000 0.765 88 P CB 0.366 31.986 31.700 -0.134 0.000 0.823 89 N N 1.817 120.414 118.700 -0.172 0.000 2.184 89 N HA 0.061 4.805 4.740 0.006 0.000 0.206 89 N C 0.267 175.699 175.510 -0.130 0.000 1.151 89 N CA 0.160 53.115 53.050 -0.158 0.000 0.878 89 N CB 0.420 38.790 38.487 -0.196 0.000 1.014 89 N HN 0.171 nan 8.380 nan 0.000 0.512 90 R N 0.390 120.811 120.500 -0.131 0.000 2.939 90 R HA 0.379 4.723 4.340 0.006 0.000 0.254 90 R C -0.403 175.829 176.300 -0.114 0.000 1.123 90 R CA -0.666 55.373 56.100 -0.103 0.000 1.020 90 R CB 0.983 31.230 30.300 -0.087 0.000 1.206 90 R HN 0.163 nan 8.270 nan 0.000 0.491 91 E N 0.840 120.978 120.200 -0.104 0.000 2.404 91 E HA 0.146 4.500 4.350 0.006 0.000 0.261 91 E C -0.313 176.197 176.600 -0.150 0.000 1.074 91 E CA -0.059 56.270 56.400 -0.118 0.000 0.917 91 E CB 0.601 30.247 29.700 -0.091 0.000 0.965 91 E HN 0.178 nan 8.360 nan 0.000 0.433 92 L N 1.982 123.071 121.223 -0.223 0.000 2.326 92 L HA 0.388 4.732 4.340 0.006 0.000 0.278 92 L C 0.170 176.901 176.870 -0.231 0.000 1.092 92 L CA -0.191 54.444 54.840 -0.342 0.000 0.810 92 L CB 1.164 42.778 42.059 -0.743 0.000 1.153 92 L HN 0.427 nan 8.230 nan 0.000 0.439 93 S N 1.069 116.697 115.700 -0.120 0.000 2.547 93 S HA 0.234 4.708 4.470 0.006 0.000 0.270 93 S C 0.162 174.756 174.600 -0.010 0.000 1.150 93 S CA -0.691 57.519 58.200 0.016 0.000 0.850 93 S CB 1.644 64.841 63.200 -0.006 0.000 1.118 93 S HN 0.738 nan 8.310 nan 0.000 0.461 94 E N 0.728 120.898 120.200 -0.051 0.000 2.274 94 E HA -0.039 4.315 4.350 0.006 0.000 0.194 94 E C -0.361 176.181 176.600 -0.096 0.000 0.996 94 E CA 0.438 56.736 56.400 -0.168 0.000 0.840 94 E CB 0.051 29.603 29.700 -0.247 0.000 0.772 94 E HN 0.569 nan 8.360 nan 0.000 0.491 95 D N 0.534 120.911 120.400 -0.037 0.000 2.435 95 D HA -0.011 4.633 4.640 0.006 0.000 0.230 95 D C 0.073 176.446 176.300 0.123 0.000 1.215 95 D CA -0.198 53.811 54.000 0.015 0.000 0.947 95 D CB 0.141 40.967 40.800 0.044 0.000 1.048 95 D HN 0.162 nan 8.370 nan 0.000 0.512 96 c N 2.850 121.493 118.600 0.072 0.000 3.935 96 c HA 0.335 4.909 4.570 0.006 0.000 0.301 96 c C 0.456 174.588 174.090 0.071 0.000 1.874 96 c CA -0.629 55.804 56.329 0.174 0.000 1.723 96 c CB -1.143 41.406 42.510 0.065 0.000 3.192 96 c HN 0.454 nan 8.230 nan 0.000 0.577 97 L N 2.609 123.598 121.223 -0.390 0.000 2.399 97 L HA 0.427 4.771 4.340 0.006 0.000 0.257 97 L C -0.935 175.286 176.870 -1.083 0.000 1.236 97 L CA 0.341 54.756 54.840 -0.708 0.000 1.144 97 L CB -0.569 40.939 42.059 -0.918 0.000 1.379 97 L HN 0.371 nan 8.230 nan 0.000 0.414 98 Y N 1.791 122.091 120.300 -0.000 0.000 2.524 98 Y HA 0.650 5.203 4.550 0.006 0.000 0.344 98 Y C -0.023 176.082 175.900 0.341 0.000 1.012 98 Y CA -1.220 56.957 58.100 0.128 0.000 1.068 98 Y CB 2.011 40.487 38.460 0.028 0.000 1.249 98 Y HN 0.195 nan 8.280 nan 0.000 0.468 99 L N -0.019 121.380 121.223 0.294 0.000 2.327 99 L HA 0.763 5.107 4.340 0.006 0.000 0.258 99 L C -1.303 175.546 176.870 -0.035 0.000 1.024 99 L CA -1.257 53.619 54.840 0.060 0.000 0.825 99 L CB 1.798 43.703 42.059 -0.257 0.000 1.386 99 L HN 0.479 nan 8.230 nan 0.000 0.417 100 N N 0.323 119.003 118.700 -0.034 0.000 2.240 100 N HA 0.760 5.503 4.740 0.006 0.000 0.302 100 N C -1.478 173.899 175.510 -0.222 0.000 1.106 100 N CA -0.419 52.525 53.050 -0.177 0.000 0.778 100 N CB 2.868 41.261 38.487 -0.157 0.000 1.431 100 N HN 0.526 nan 8.380 nan 0.000 0.479 101 V N 1.139 120.839 119.914 -0.356 0.000 2.709 101 V HA 0.508 4.632 4.120 0.006 0.000 0.308 101 V C -0.903 175.084 176.094 -0.179 0.000 1.062 101 V CA -0.787 61.405 62.300 -0.180 0.000 0.901 101 V CB 2.525 34.142 31.823 -0.344 0.000 1.003 101 V HN 0.561 nan 8.190 nan 0.000 0.425 102 W N 2.511 123.893 121.300 0.136 0.000 2.702 102 W HA 0.702 5.366 4.660 0.007 0.000 0.331 102 W C -0.014 176.606 176.519 0.168 0.000 1.049 102 W CA -0.444 56.990 57.345 0.149 0.000 1.230 102 W CB 2.514 32.045 29.460 0.118 0.000 1.408 102 W HN 0.686 nan 8.180 nan 0.000 0.492 103 T N 0.115 114.919 114.554 0.416 0.000 2.883 103 T HA 0.529 4.882 4.350 0.006 0.000 0.301 103 T C -2.871 171.999 174.700 0.284 0.000 1.158 103 T CA -2.330 59.968 62.100 0.330 0.000 1.007 103 T CB 2.303 71.386 68.868 0.359 0.000 1.186 103 T HN -0.099 nan 8.240 nan 0.000 0.499 104 P HA 0.162 nan 4.420 nan 0.000 0.269 104 P C -1.544 175.902 177.300 0.244 0.000 1.211 104 P CA -0.060 63.158 63.100 0.196 0.000 0.781 104 P CB 0.066 31.851 31.700 0.140 0.000 0.877 105 Y N 2.736 123.092 120.300 0.093 0.000 2.326 105 Y HA 0.417 4.971 4.550 0.006 0.000 0.331 105 Y C -2.171 173.765 175.900 0.059 0.000 0.962 105 Y CA -2.480 55.668 58.100 0.080 0.000 1.167 105 Y CB 1.079 39.574 38.460 0.058 0.000 1.148 105 Y HN 0.328 nan 8.280 nan 0.000 0.463 106 P HA 0.215 nan 4.420 nan 0.000 0.272 106 P C -0.859 176.409 177.300 -0.053 0.000 1.240 106 P CA -0.350 62.569 63.100 -0.303 0.000 0.791 106 P CB 1.057 32.600 31.700 -0.262 0.000 0.978 107 R N 1.195 121.682 120.500 -0.021 0.000 2.698 107 R HA 0.145 4.489 4.340 0.006 0.000 0.266 107 R C -1.677 174.649 176.300 0.044 0.000 1.026 107 R CA -0.995 55.146 56.100 0.069 0.000 1.102 107 R CB -0.738 29.617 30.300 0.091 0.000 0.978 107 R HN 0.471 nan 8.270 nan 0.000 0.436 108 P HA -0.036 nan 4.420 nan 0.000 0.269 108 P C -0.202 177.114 177.300 0.027 0.000 1.209 108 P CA 0.161 63.290 63.100 0.048 0.000 0.776 108 P CB 0.851 32.588 31.700 0.062 0.000 0.876 109 A N 2.983 125.813 122.820 0.016 0.000 1.873 109 A HA -0.029 4.295 4.320 0.006 0.000 0.215 109 A C 1.216 178.803 177.584 0.006 0.000 1.186 109 A CA 1.707 53.747 52.037 0.005 0.000 0.616 109 A CB -0.934 18.068 19.000 0.002 0.000 0.823 109 A HN 0.704 nan 8.150 nan 0.000 0.442 110 S N -0.651 115.055 115.700 0.010 0.000 2.578 110 S HA 0.620 5.093 4.470 0.006 0.000 0.301 110 S C -3.129 171.480 174.600 0.015 0.000 1.091 110 S CA -1.773 56.432 58.200 0.007 0.000 1.032 110 S CB 1.210 64.412 63.200 0.003 0.000 1.064 110 S HN 0.038 nan 8.310 nan 0.000 0.508 111 P HA 0.191 nan 4.420 nan 0.000 0.261 111 P C -0.676 176.636 177.300 0.019 0.000 1.183 111 P CA 0.236 63.346 63.100 0.017 0.000 0.761 111 P CB 0.163 31.865 31.700 0.003 0.000 0.785 112 T N 5.318 119.894 114.554 0.038 0.000 2.824 112 T HA 0.399 4.753 4.350 0.006 0.000 0.280 112 T C -2.431 172.292 174.700 0.039 0.000 0.995 112 T CA -1.888 60.236 62.100 0.039 0.000 1.009 112 T CB 0.868 69.774 68.868 0.063 0.000 0.955 112 T HN 0.143 nan 8.240 nan 0.000 0.452 113 P HA 0.089 nan 4.420 nan 0.000 0.263 113 P C -0.872 176.461 177.300 0.055 0.000 1.175 113 P CA -0.064 63.045 63.100 0.017 0.000 0.761 113 P CB 0.347 32.041 31.700 -0.009 0.000 0.794 114 V N 5.395 125.356 119.914 0.079 0.000 2.483 114 V HA 0.331 4.455 4.120 0.006 0.000 0.295 114 V C 0.331 176.509 176.094 0.140 0.000 1.035 114 V CA -0.482 61.895 62.300 0.127 0.000 0.896 114 V CB 1.283 33.197 31.823 0.152 0.000 0.986 114 V HN 0.355 nan 8.190 nan 0.000 0.447 115 L N 5.711 127.037 121.223 0.171 0.000 2.322 115 L HA 0.614 4.958 4.340 0.006 0.000 0.281 115 L C -0.717 176.406 176.870 0.421 0.000 1.014 115 L CA -0.384 54.581 54.840 0.208 0.000 0.815 115 L CB 1.797 43.869 42.059 0.021 0.000 1.247 115 L HN 0.493 nan 8.230 nan 0.000 0.421 116 I N 2.761 123.628 120.570 0.496 0.000 2.389 116 I HA 0.231 4.404 4.170 0.006 0.000 0.288 116 I C -0.676 175.744 176.117 0.505 0.000 0.999 116 I CA -0.421 61.140 61.300 0.434 0.000 1.129 116 I CB 1.616 39.747 38.000 0.218 0.000 1.288 116 I HN 0.628 nan 8.210 nan 0.000 0.444 117 W N 8.488 129.886 121.300 0.163 0.000 2.338 117 W HA 0.554 5.217 4.660 0.005 0.000 0.307 117 W C -1.458 174.984 176.519 -0.128 0.000 1.167 117 W CA -0.638 56.578 57.345 -0.214 0.000 1.208 117 W CB 1.159 30.531 29.460 -0.146 0.000 1.228 117 W HN 0.363 nan 8.180 nan 0.000 0.499 118 I N 9.286 129.261 120.570 -0.992 0.000 2.390 118 I HA 0.071 4.245 4.170 0.006 0.000 0.283 118 I C -0.090 175.236 176.117 -1.318 0.000 1.016 118 I CA -1.081 59.686 61.300 -0.888 0.000 1.151 118 I CB 0.479 38.119 38.000 -0.599 0.000 1.293 118 I HN 0.326 nan 8.210 nan 0.000 0.458 119 Y N 4.691 124.423 120.300 -0.946 0.000 2.385 119 Y HA 0.656 5.209 4.550 0.006 0.000 0.346 119 Y C 0.781 176.455 175.900 -0.377 0.000 1.270 119 Y CA -0.607 57.029 58.100 -0.775 0.000 1.472 119 Y CB 0.007 38.241 38.460 -0.377 0.000 1.354 119 Y HN 0.497 nan 8.280 nan 0.000 0.611 120 G N -1.353 107.431 108.800 -0.027 0.000 2.795 120 G HA2 0.501 4.465 3.960 0.006 0.000 0.267 120 G HA3 0.501 4.465 3.960 0.006 0.000 0.267 120 G C 0.185 175.045 174.900 -0.066 0.000 1.362 120 G CA -0.991 44.037 45.100 -0.120 0.000 1.048 120 G HN 1.722 nan 8.290 nan 0.000 0.547 121 G N -2.722 105.896 108.800 -0.304 0.000 2.188 121 G HA2 0.405 4.368 3.960 0.006 0.000 0.112 121 G HA3 0.405 4.368 3.960 0.006 0.000 0.112 121 G C 1.061 175.527 174.900 -0.723 0.000 1.048 121 G CA 0.748 45.557 45.100 -0.486 0.000 0.720 121 G HN 2.418 nan 8.290 nan 0.000 0.487 122 G N -0.746 107.617 108.800 -0.728 0.000 2.162 122 G HA2 -0.115 3.848 3.960 0.006 0.000 0.260 122 G HA3 -0.115 3.848 3.960 0.006 0.000 0.260 122 G C 0.879 175.622 174.900 -0.261 0.000 0.976 122 G CA 0.749 45.200 45.100 -1.081 0.000 0.655 122 G HN 1.826 nan 8.290 nan 0.000 0.533 123 F N -2.858 117.019 119.950 -0.122 0.000 2.914 123 F HA -0.301 4.230 4.527 0.006 0.000 0.304 123 F C 1.358 177.310 175.800 0.254 0.000 0.712 123 F CA 2.160 60.200 58.000 0.068 0.000 1.211 123 F CB -2.077 36.806 39.000 -0.194 0.000 1.515 123 F HN 0.956 nan 8.300 nan 0.000 0.350 124 Y N -1.158 119.289 120.300 0.244 0.000 2.471 124 Y HA 0.644 5.197 4.550 0.006 0.000 0.249 124 Y C 0.506 176.580 175.900 0.290 0.000 1.116 124 Y CA 0.305 58.590 58.100 0.308 0.000 1.240 124 Y CB 0.140 38.804 38.460 0.340 0.000 1.251 124 Y HN 0.099 nan 8.280 nan 0.000 0.527 125 S N -0.580 114.942 115.700 -0.297 0.000 2.615 125 S HA 0.867 5.341 4.470 0.006 0.000 0.269 125 S C -0.303 174.210 174.600 -0.146 0.000 1.161 125 S CA -0.439 57.605 58.200 -0.260 0.000 0.817 125 S CB 1.462 64.339 63.200 -0.538 0.000 1.131 125 S HN 1.391 nan 8.310 nan 0.000 0.467 126 G N -0.570 108.121 108.800 -0.183 0.000 2.428 126 G HA2 0.549 4.513 3.960 0.006 0.000 0.681 126 G HA3 0.549 4.513 3.960 0.006 0.000 0.681 126 G C -0.713 173.630 174.900 -0.929 0.000 1.340 126 G CA -0.156 44.700 45.100 -0.407 0.000 0.915 126 G HN 2.099 nan 8.290 nan 0.000 0.645 127 A N -0.581 121.562 122.820 -1.129 0.000 2.574 127 A HA 1.021 5.344 4.320 0.006 0.000 0.297 127 A C 0.740 178.018 177.584 -0.510 0.000 1.062 127 A CA 0.430 51.948 52.037 -0.865 0.000 0.686 127 A CB 1.275 20.040 19.000 -0.392 0.000 1.285 127 A HN 2.565 nan 8.150 nan 0.000 0.403 128 A N 0.496 123.249 122.820 -0.112 0.000 2.209 128 A HA 0.205 4.529 4.320 0.006 0.000 0.212 128 A C 1.653 179.299 177.584 0.103 0.000 1.158 128 A CA 1.816 54.019 52.037 0.276 0.000 0.742 128 A CB -0.545 18.699 19.000 0.408 0.000 0.790 128 A HN 1.738 nan 8.150 nan 0.000 0.472 129 S N -0.737 114.798 115.700 -0.275 0.000 2.540 129 S HA 0.360 4.834 4.470 0.006 0.000 0.218 129 S C 0.413 174.572 174.600 -0.736 0.000 0.977 129 S CA -0.503 57.126 58.200 -0.952 0.000 0.918 129 S CB -0.500 62.078 63.200 -1.036 0.000 0.806 129 S HN 0.358 nan 8.310 nan 0.000 0.496 130 L N 2.222 123.173 121.223 -0.453 0.000 2.461 130 L HA 0.207 4.551 4.340 0.006 0.000 0.272 130 L C 1.123 177.664 176.870 -0.548 0.000 1.197 130 L CA -0.523 53.993 54.840 -0.540 0.000 0.836 130 L CB 0.198 41.828 42.059 -0.715 0.000 1.105 130 L HN 0.054 nan 8.230 nan 0.000 0.477 131 D N 1.239 121.361 120.400 -0.463 0.000 2.133 131 D HA -0.182 4.461 4.640 0.006 0.000 0.195 131 D C 1.999 178.026 176.300 -0.456 0.000 0.997 131 D CA 1.083 54.872 54.000 -0.352 0.000 0.840 131 D CB 0.011 40.638 40.800 -0.288 0.000 0.947 131 D HN 0.429 nan 8.370 nan 0.000 0.452 132 V N 0.105 119.606 119.914 -0.688 0.000 2.688 132 V HA -0.240 3.883 4.120 0.006 0.000 0.256 132 V C 0.677 176.188 176.094 -0.972 0.000 1.084 132 V CA 1.412 63.248 62.300 -0.774 0.000 1.103 132 V CB -0.526 30.739 31.823 -0.931 0.000 0.688 132 V HN 0.183 nan 8.190 nan 0.000 0.480 133 Y N -0.221 119.551 120.300 -0.880 0.000 2.625 133 Y HA 0.419 4.973 4.550 0.006 0.000 0.285 133 Y C 0.646 175.964 175.900 -0.970 0.000 1.168 133 Y CA -1.653 55.558 58.100 -1.481 0.000 1.250 133 Y CB -0.691 37.262 38.460 -0.845 0.000 1.130 133 Y HN 0.240 nan 8.280 nan 0.000 0.526 134 D N 0.838 120.933 120.400 -0.507 0.000 2.346 134 D HA 0.064 4.707 4.640 0.006 0.000 0.260 134 D C 1.406 177.392 176.300 -0.524 0.000 1.252 134 D CA 0.326 54.107 54.000 -0.365 0.000 0.895 134 D CB 1.252 41.981 40.800 -0.119 0.000 1.097 134 D HN 0.470 nan 8.370 nan 0.000 0.489 135 G N 3.969 111.877 108.800 -1.488 0.000 2.848 135 G HA2 -0.192 3.772 3.960 0.006 0.000 0.208 135 G HA3 -0.192 3.772 3.960 0.006 0.000 0.208 135 G C 1.460 175.814 174.900 -0.910 0.000 1.152 135 G CA 0.270 44.660 45.100 -1.184 0.000 0.789 135 G HN 0.630 nan 8.290 nan 0.000 0.531 136 R N -0.854 119.080 120.500 -0.944 0.000 2.148 136 R HA 0.046 4.390 4.340 0.006 0.000 0.227 136 R C 1.573 177.614 176.300 -0.432 0.000 1.103 136 R CA 1.105 56.864 56.100 -0.568 0.000 0.983 136 R CB -0.530 29.447 30.300 -0.539 0.000 0.874 136 R HN 0.342 nan 8.270 nan 0.000 0.451 137 F N 1.159 121.016 119.950 -0.154 0.000 2.219 137 F HA 0.146 4.677 4.527 0.007 0.000 0.294 137 F C 2.187 177.929 175.800 -0.097 0.000 1.086 137 F CA 0.445 58.381 58.000 -0.107 0.000 1.330 137 F CB -0.419 38.507 39.000 -0.123 0.000 1.047 137 F HN -0.156 nan 8.300 nan 0.000 0.495 138 L N 0.086 121.344 121.223 0.059 0.000 2.042 138 L HA -0.239 4.105 4.340 0.006 0.000 0.210 138 L C 2.752 179.631 176.870 0.015 0.000 1.076 138 L CA 1.296 56.130 54.840 -0.010 0.000 0.749 138 L CB -0.981 41.026 42.059 -0.086 0.000 0.893 138 L HN 0.188 nan 8.230 nan 0.000 0.432 139 A N -0.969 121.863 122.820 0.021 0.000 1.858 139 A HA -0.259 4.064 4.320 0.006 0.000 0.216 139 A C 2.295 179.921 177.584 0.070 0.000 1.190 139 A CA 1.698 53.783 52.037 0.080 0.000 0.617 139 A CB -0.583 18.504 19.000 0.146 0.000 0.827 139 A HN 0.404 nan 8.150 nan 0.000 0.443 140 Q N -0.170 119.655 119.800 0.042 0.000 2.016 140 Q HA -0.099 4.245 4.340 0.006 0.000 0.200 140 Q C 2.228 178.257 176.000 0.049 0.000 0.978 140 Q CA 2.116 57.947 55.803 0.046 0.000 0.833 140 Q CB -0.328 28.420 28.738 0.017 0.000 0.895 140 Q HN 0.425 nan 8.270 nan 0.000 0.427 141 V N 1.177 121.119 119.914 0.048 0.000 2.407 141 V HA -0.120 4.004 4.120 0.006 0.000 0.245 141 V C 1.819 177.928 176.094 0.024 0.000 1.041 141 V CA 1.578 63.900 62.300 0.036 0.000 1.040 141 V CB -0.198 31.645 31.823 0.033 0.000 0.671 141 V HN 0.245 nan 8.190 nan 0.000 0.455 142 E N -0.196 120.017 120.200 0.021 0.000 2.472 142 E HA 0.194 4.547 4.350 0.006 0.000 0.196 142 E C 1.731 178.349 176.600 0.029 0.000 1.033 142 E CA 0.784 57.193 56.400 0.015 0.000 0.886 142 E CB 0.501 30.201 29.700 0.001 0.000 0.944 142 E HN 0.599 nan 8.360 nan 0.000 0.492 143 G N 1.664 110.491 108.800 0.045 0.000 2.147 143 G HA2 -0.295 3.669 3.960 0.006 0.000 0.244 143 G HA3 -0.295 3.669 3.960 0.006 0.000 0.244 143 G C 0.480 175.423 174.900 0.071 0.000 1.005 143 G CA 0.350 45.486 45.100 0.061 0.000 0.713 143 G HN 0.494 nan 8.290 nan 0.000 0.515 144 A N -0.747 122.114 122.820 0.069 0.000 2.322 144 A HA 0.735 5.059 4.320 0.006 0.000 0.269 144 A C 0.492 178.154 177.584 0.130 0.000 1.094 144 A CA 0.082 52.166 52.037 0.078 0.000 0.807 144 A CB 1.200 20.229 19.000 0.048 0.000 1.047 144 A HN 1.145 nan 8.150 nan 0.000 0.487 145 V N 2.608 122.607 119.914 0.143 0.000 2.364 145 V HA 0.354 4.478 4.120 0.006 0.000 0.272 145 V C -0.141 176.089 176.094 0.227 0.000 1.036 145 V CA -0.083 62.333 62.300 0.194 0.000 0.880 145 V CB 0.661 32.589 31.823 0.176 0.000 0.991 145 V HN 0.709 nan 8.190 nan 0.000 0.460 146 L N 6.373 127.787 121.223 0.317 0.000 2.313 146 L HA 0.722 5.066 4.340 0.006 0.000 0.283 146 L C -0.689 176.476 176.870 0.491 0.000 1.013 146 L CA -0.252 54.830 54.840 0.403 0.000 0.816 146 L CB 1.791 44.088 42.059 0.396 0.000 1.236 146 L HN 0.449 nan 8.230 nan 0.000 0.419 147 V N 3.041 123.212 119.914 0.428 0.000 2.628 147 V HA 0.702 4.826 4.120 0.006 0.000 0.306 147 V C -0.345 176.006 176.094 0.429 0.000 1.045 147 V CA -0.478 62.033 62.300 0.351 0.000 0.905 147 V CB 1.840 33.798 31.823 0.225 0.000 0.997 147 V HN 0.832 nan 8.190 nan 0.000 0.436 148 S N 5.250 121.194 115.700 0.407 0.000 2.614 148 S HA 0.794 5.267 4.470 0.006 0.000 0.288 148 S C -0.825 173.934 174.600 0.265 0.000 1.137 148 S CA -0.810 57.642 58.200 0.421 0.000 0.992 148 S CB 1.942 65.530 63.200 0.646 0.000 1.026 148 S HN 0.851 nan 8.310 nan 0.000 0.486 149 M N 1.852 121.563 119.600 0.185 0.000 2.436 149 M HA 0.623 5.106 4.480 0.006 0.000 0.331 149 M C -1.297 175.222 176.300 0.364 0.000 1.135 149 M CA -0.485 54.904 55.300 0.150 0.000 0.987 149 M CB 0.784 33.282 32.600 -0.169 0.000 1.687 149 M HN 0.528 nan 8.290 nan 0.000 0.445 150 N N 3.449 122.418 118.700 0.450 0.000 2.518 150 N HA 0.424 5.168 4.740 0.006 0.000 0.266 150 N C -1.324 174.470 175.510 0.472 0.000 1.196 150 N CA 0.255 53.592 53.050 0.479 0.000 0.947 150 N CB 0.202 38.900 38.487 0.351 0.000 1.098 150 N HN 0.712 nan 8.380 nan 0.000 0.450 151 Y N -1.659 118.819 120.300 0.296 0.000 2.553 151 Y HA 0.560 5.113 4.550 0.006 0.000 0.347 151 Y C -0.081 175.943 175.900 0.206 0.000 1.019 151 Y CA -1.365 56.854 58.100 0.199 0.000 1.032 151 Y CB 0.939 39.443 38.460 0.074 0.000 1.284 151 Y HN 0.202 nan 8.280 nan 0.000 0.466 152 R N 2.024 122.663 120.500 0.232 0.000 2.522 152 R HA 0.447 4.791 4.340 0.006 0.000 0.284 152 R C -0.299 176.145 176.300 0.241 0.000 1.032 152 R CA -0.116 56.077 56.100 0.155 0.000 1.049 152 R CB 0.701 31.052 30.300 0.084 0.000 0.956 152 R HN 0.714 nan 8.270 nan 0.000 0.422 153 V N 0.019 120.116 119.914 0.305 0.000 3.166 153 V HA 0.899 5.022 4.120 0.006 0.000 0.317 153 V C 0.743 177.146 176.094 0.516 0.000 1.136 153 V CA -0.080 62.511 62.300 0.485 0.000 1.035 153 V CB 1.275 33.311 31.823 0.355 0.000 1.110 153 V HN 0.973 nan 8.190 nan 0.000 0.450 154 G N 1.900 111.043 108.800 0.570 0.000 2.552 154 G HA2 -0.271 3.693 3.960 0.006 0.000 0.265 154 G HA3 -0.271 3.693 3.960 0.006 0.000 0.265 154 G C 0.960 175.955 174.900 0.158 0.000 1.234 154 G CA 1.276 46.616 45.100 0.400 0.000 0.944 154 G HN 2.332 nan 8.290 nan 0.000 0.568 155 T N -1.631 112.706 114.554 -0.363 0.000 2.759 155 T HA -0.107 4.247 4.350 0.006 0.000 0.269 155 T C 2.114 176.651 174.700 -0.273 0.000 1.042 155 T CA 2.617 64.267 62.100 -0.750 0.000 1.140 155 T CB -0.390 67.896 68.868 -0.971 0.000 0.864 155 T HN 0.587 nan 8.240 nan 0.000 0.455 156 F N 2.181 122.164 119.950 0.056 0.000 2.171 156 F HA 0.234 4.765 4.527 0.006 0.000 0.300 156 F C 2.798 178.584 175.800 -0.024 0.000 1.090 156 F CA 0.783 58.786 58.000 0.005 0.000 1.293 156 F CB -1.018 37.961 39.000 -0.035 0.000 1.013 156 F HN 0.360 nan 8.300 nan 0.000 0.486 157 G N -1.879 106.971 108.800 0.083 0.000 2.545 157 G HA2 -0.030 3.934 3.960 0.006 0.000 0.212 157 G HA3 -0.030 3.934 3.960 0.006 0.000 0.212 157 G C 0.923 175.346 174.900 -0.795 0.000 1.144 157 G CA 0.280 45.147 45.100 -0.387 0.000 0.813 157 G HN 0.328 nan 8.290 nan 0.000 0.531 158 F N -0.451 119.577 119.950 0.130 0.000 2.798 158 F HA 0.454 4.985 4.527 0.007 0.000 0.328 158 F C 0.466 176.328 175.800 0.103 0.000 1.098 158 F CA -1.054 57.002 58.000 0.094 0.000 1.172 158 F CB 0.370 39.435 39.000 0.109 0.000 1.072 158 F HN -0.075 nan 8.300 nan 0.000 0.555 159 L N 1.831 123.089 121.223 0.057 0.000 2.410 159 L HA 0.659 5.002 4.340 0.006 0.000 0.273 159 L C -0.182 176.639 176.870 -0.081 0.000 1.152 159 L CA -0.133 54.655 54.840 -0.087 0.000 0.855 159 L CB 0.692 42.407 42.059 -0.574 0.000 1.129 159 L HN 0.085 nan 8.230 nan 0.000 0.463 160 A N 6.046 128.855 122.820 -0.019 0.000 2.455 160 A HA 0.659 4.983 4.320 0.006 0.000 0.300 160 A C -1.236 176.318 177.584 -0.050 0.000 1.040 160 A CA -0.548 51.471 52.037 -0.029 0.000 0.697 160 A CB 1.368 20.386 19.000 0.030 0.000 1.265 160 A HN 0.709 nan 8.150 nan 0.000 0.407 161 L N 3.259 124.442 121.223 -0.067 0.000 2.387 161 L HA 0.327 4.670 4.340 0.006 0.000 0.259 161 L C -2.491 174.363 176.870 -0.027 0.000 1.050 161 L CA -1.678 53.132 54.840 -0.051 0.000 0.922 161 L CB 1.552 43.567 42.059 -0.073 0.000 1.280 161 L HN 0.393 nan 8.230 nan 0.000 0.449 162 P HA 0.065 nan 4.420 nan 0.000 0.261 162 P C 0.965 178.263 177.300 -0.003 0.000 1.183 162 P CA 0.861 63.959 63.100 -0.004 0.000 0.761 162 P CB 0.909 32.607 31.700 -0.003 0.000 0.785 163 G N 2.012 110.814 108.800 0.004 0.000 2.234 163 G HA2 -0.244 3.719 3.960 0.006 0.000 0.235 163 G HA3 -0.244 3.719 3.960 0.006 0.000 0.235 163 G C 0.450 175.352 174.900 0.004 0.000 0.997 163 G CA 0.223 45.326 45.100 0.005 0.000 0.623 163 G HN 0.761 nan 8.290 nan 0.000 0.514 164 S N -0.312 115.388 115.700 -0.001 0.000 2.600 164 S HA 0.580 5.054 4.470 0.006 0.000 0.265 164 S C 1.191 175.798 174.600 0.010 0.000 1.325 164 S CA 0.575 58.775 58.200 -0.000 0.000 1.002 164 S CB 1.968 65.161 63.200 -0.013 0.000 0.921 164 S HN 0.626 nan 8.310 nan 0.000 0.554 165 R N 0.198 120.707 120.500 0.014 0.000 2.128 165 R HA 0.093 4.437 4.340 0.006 0.000 0.211 165 R C 1.339 177.659 176.300 0.032 0.000 1.067 165 R CA 0.819 56.933 56.100 0.023 0.000 1.010 165 R CB -0.170 30.142 30.300 0.021 0.000 0.922 165 R HN 0.793 nan 8.270 nan 0.000 0.457 166 E N -0.301 119.918 120.200 0.032 0.000 2.385 166 E HA 0.136 4.490 4.350 0.006 0.000 0.194 166 E C -0.216 176.429 176.600 0.075 0.000 1.013 166 E CA 0.745 57.177 56.400 0.054 0.000 0.866 166 E CB 1.154 30.887 29.700 0.054 0.000 0.832 166 E HN 0.304 nan 8.360 nan 0.000 0.500 167 A N 1.034 123.871 122.820 0.029 0.000 3.409 167 A HA 0.278 4.602 4.320 0.006 0.000 0.282 167 A C -2.175 175.404 177.584 -0.007 0.000 1.064 167 A CA -0.906 51.132 52.037 0.001 0.000 0.889 167 A CB 0.454 19.370 19.000 -0.141 0.000 1.251 167 A HN -0.077 nan 8.150 nan 0.000 0.538 168 P HA 0.172 nan 4.420 nan 0.000 0.233 168 P C 0.884 178.198 177.300 0.024 0.000 1.167 168 P CA 1.690 64.804 63.100 0.024 0.000 0.770 168 P CB 0.216 31.940 31.700 0.040 0.000 0.837 169 G N 0.702 109.514 108.800 0.021 0.000 2.662 169 G HA2 -0.158 3.806 3.960 0.006 0.000 0.686 169 G HA3 -0.158 3.806 3.960 0.006 0.000 0.686 169 G C -0.138 174.768 174.900 0.010 0.000 1.271 169 G CA -0.318 44.799 45.100 0.028 0.000 0.816 169 G HN 0.096 nan 8.290 nan 0.000 0.608 170 N N -2.375 116.336 118.700 0.018 0.000 2.753 170 N HA -0.281 4.462 4.740 0.006 0.000 0.251 170 N C 1.883 177.280 175.510 -0.188 0.000 1.097 170 N CA 2.443 55.454 53.050 -0.066 0.000 0.786 170 N CB -1.651 36.739 38.487 -0.162 0.000 1.137 170 N HN 1.906 nan 8.380 nan 0.000 0.566 171 V N -2.821 116.971 119.914 -0.203 0.000 2.626 171 V HA 0.043 4.167 4.120 0.006 0.000 0.252 171 V C 2.312 178.293 176.094 -0.188 0.000 1.067 171 V CA 2.213 64.434 62.300 -0.132 0.000 1.081 171 V CB -0.856 30.932 31.823 -0.058 0.000 0.686 171 V HN 0.261 nan 8.190 nan 0.000 0.468 172 G N 0.446 108.950 108.800 -0.493 0.000 2.432 172 G HA2 -0.138 3.825 3.960 0.006 0.000 0.219 172 G HA3 -0.138 3.825 3.960 0.006 0.000 0.219 172 G C 1.543 176.418 174.900 -0.042 0.000 1.135 172 G CA 1.120 46.050 45.100 -0.284 0.000 0.767 172 G HN 0.541 nan 8.290 nan 0.000 0.550 173 L N -0.263 120.893 121.223 -0.111 0.000 2.217 173 L HA 0.142 4.485 4.340 0.006 0.000 0.211 173 L C 2.741 179.630 176.870 0.032 0.000 1.107 173 L CA 0.197 54.938 54.840 -0.165 0.000 0.783 173 L CB -0.174 41.488 42.059 -0.661 0.000 0.919 173 L HN 0.183 nan 8.230 nan 0.000 0.442 174 L N -0.631 120.620 121.223 0.047 0.000 2.109 174 L HA -0.170 4.174 4.340 0.006 0.000 0.207 174 L C 2.135 179.128 176.870 0.204 0.000 1.086 174 L CA 0.779 55.735 54.840 0.194 0.000 0.760 174 L CB -0.476 41.675 42.059 0.153 0.000 0.910 174 L HN 0.268 nan 8.230 nan 0.000 0.437 175 D N -0.001 120.511 120.400 0.185 0.000 2.104 175 D HA -0.223 4.421 4.640 0.006 0.000 0.194 175 D C 2.223 178.680 176.300 0.262 0.000 0.994 175 D CA 1.241 55.431 54.000 0.318 0.000 0.830 175 D CB -0.215 40.788 40.800 0.339 0.000 0.959 175 D HN 0.373 nan 8.370 nan 0.000 0.452 176 Q N 0.067 119.949 119.800 0.135 0.000 2.096 176 Q HA -0.143 4.201 4.340 0.006 0.000 0.204 176 Q C 2.292 178.289 176.000 -0.004 0.000 0.982 176 Q CA 1.108 56.913 55.803 0.004 0.000 0.850 176 Q CB -0.054 28.675 28.738 -0.014 0.000 0.901 176 Q HN 0.207 nan 8.270 nan 0.000 0.422 177 R N 0.480 121.079 120.500 0.164 0.000 2.081 177 R HA -0.166 4.178 4.340 0.006 0.000 0.235 177 R C 2.187 178.550 176.300 0.105 0.000 1.131 177 R CA 0.963 57.150 56.100 0.145 0.000 0.960 177 R CB -0.237 30.251 30.300 0.314 0.000 0.856 177 R HN 0.210 nan 8.270 nan 0.000 0.436 178 L N 0.977 122.295 121.223 0.159 0.000 2.042 178 L HA -0.123 4.220 4.340 0.006 0.000 0.210 178 L C 2.335 179.278 176.870 0.122 0.000 1.076 178 L CA 2.178 57.142 54.840 0.206 0.000 0.749 178 L CB -0.735 41.537 42.059 0.356 0.000 0.893 178 L HN 0.299 nan 8.230 nan 0.000 0.432 179 A N -0.689 122.015 122.820 -0.195 0.000 1.908 179 A HA -0.184 4.140 4.320 0.006 0.000 0.218 179 A C 2.219 179.780 177.584 -0.038 0.000 1.181 179 A CA 1.963 53.749 52.037 -0.418 0.000 0.627 179 A CB -0.866 17.652 19.000 -0.804 0.000 0.818 179 A HN 0.502 nan 8.150 nan 0.000 0.445 180 L N -1.012 120.190 121.223 -0.035 0.000 2.131 180 L HA -0.241 4.102 4.340 0.006 0.000 0.210 180 L C 2.789 179.722 176.870 0.105 0.000 1.092 180 L CA 1.508 56.363 54.840 0.025 0.000 0.759 180 L CB -0.814 41.214 42.059 -0.051 0.000 0.903 180 L HN 0.513 nan 8.230 nan 0.000 0.435 181 Q N -0.960 118.912 119.800 0.120 0.000 2.119 181 Q HA -0.240 4.104 4.340 0.006 0.000 0.201 181 Q C 2.056 178.156 176.000 0.167 0.000 0.972 181 Q CA 1.810 57.691 55.803 0.131 0.000 0.847 181 Q CB -0.249 28.569 28.738 0.133 0.000 0.903 181 Q HN 0.556 nan 8.270 nan 0.000 0.433 182 W N 0.664 121.991 121.300 0.045 0.000 2.355 182 W HA -0.221 4.442 4.660 0.006 0.000 0.309 182 W C 1.881 178.441 176.519 0.068 0.000 1.206 182 W CA 1.294 58.683 57.345 0.073 0.000 1.284 182 W CB -0.149 29.359 29.460 0.080 0.000 1.145 182 W HN -0.165 nan 8.180 nan 0.000 0.502 183 V N 1.001 121.164 119.914 0.415 0.000 2.343 183 V HA -0.348 3.776 4.120 0.006 0.000 0.247 183 V C 2.549 178.674 176.094 0.052 0.000 1.051 183 V CA 2.069 64.534 62.300 0.275 0.000 1.036 183 V CB -0.949 31.044 31.823 0.283 0.000 0.654 183 V HN 0.231 nan 8.190 nan 0.000 0.451 184 Q N -0.288 119.547 119.800 0.059 0.000 2.084 184 Q HA -0.245 4.099 4.340 0.006 0.000 0.202 184 Q C 2.273 178.246 176.000 -0.045 0.000 0.978 184 Q CA 2.102 57.923 55.803 0.029 0.000 0.844 184 Q CB -0.263 28.503 28.738 0.046 0.000 0.898 184 Q HN 0.793 nan 8.270 nan 0.000 0.426 185 E N 0.229 120.363 120.200 -0.111 0.000 2.112 185 E HA -0.077 4.276 4.350 0.006 0.000 0.190 185 E C 1.255 177.703 176.600 -0.253 0.000 0.979 185 E CA 1.103 57.405 56.400 -0.164 0.000 0.814 185 E CB 0.192 29.789 29.700 -0.172 0.000 0.762 185 E HN 0.232 nan 8.360 nan 0.000 0.460 186 N N -0.553 117.892 118.700 -0.425 0.000 2.332 186 N HA 0.016 4.760 4.740 0.006 0.000 0.190 186 N C 1.299 176.672 175.510 -0.229 0.000 1.117 186 N CA 0.141 52.875 53.050 -0.527 0.000 0.883 186 N CB 0.208 37.933 38.487 -1.269 0.000 1.089 186 N HN 0.149 nan 8.380 nan 0.000 0.480 187 I N 2.274 122.781 120.570 -0.106 0.000 2.567 187 I HA -0.103 4.071 4.170 0.006 0.000 0.257 187 I C 2.051 178.276 176.117 0.181 0.000 1.184 187 I CA 0.518 61.909 61.300 0.152 0.000 1.451 187 I CB -0.215 37.868 38.000 0.138 0.000 1.089 187 I HN 0.048 nan 8.210 nan 0.000 0.441 188 A N 0.195 123.045 122.820 0.050 0.000 2.019 188 A HA -0.087 4.237 4.320 0.006 0.000 0.219 188 A C 2.467 180.036 177.584 -0.025 0.000 1.164 188 A CA 1.430 53.478 52.037 0.018 0.000 0.644 188 A CB -1.007 17.979 19.000 -0.023 0.000 0.805 188 A HN 0.463 nan 8.150 nan 0.000 0.449 189 A N -1.447 121.314 122.820 -0.099 0.000 2.070 189 A HA 0.057 4.381 4.320 0.006 0.000 0.220 189 A C 1.492 178.808 177.584 -0.447 0.000 1.159 189 A CA 1.206 53.055 52.037 -0.314 0.000 0.656 189 A CB -0.617 18.091 19.000 -0.487 0.000 0.800 189 A HN 0.514 nan 8.150 nan 0.000 0.453 190 F N -1.519 118.383 119.950 -0.080 0.000 2.678 190 F HA 0.392 4.923 4.527 0.006 0.000 0.305 190 F C 1.740 177.547 175.800 0.010 0.000 1.090 190 F CA 0.479 58.449 58.000 -0.051 0.000 1.272 190 F CB 0.357 39.341 39.000 -0.026 0.000 1.060 190 F HN 0.311 nan 8.300 nan 0.000 0.576 191 G N 0.407 109.285 108.800 0.130 0.000 2.157 191 G HA2 -0.195 3.769 3.960 0.006 0.000 0.248 191 G HA3 -0.195 3.769 3.960 0.006 0.000 0.248 191 G C 0.638 175.602 174.900 0.107 0.000 0.979 191 G CA -0.231 44.927 45.100 0.096 0.000 0.650 191 G HN 0.715 nan 8.290 nan 0.000 0.529 192 G N -0.397 108.488 108.800 0.142 0.000 2.444 192 G HA2 0.464 4.428 3.960 0.006 0.000 0.268 192 G HA3 0.464 4.428 3.960 0.006 0.000 0.268 192 G C -0.568 174.378 174.900 0.076 0.000 1.203 192 G CA 0.290 45.461 45.100 0.118 0.000 0.835 192 G HN 0.225 nan 8.290 nan 0.000 0.543 193 D N 2.069 122.501 120.400 0.053 0.000 2.380 193 D HA 0.230 4.874 4.640 0.006 0.000 0.230 193 D C -0.950 175.368 176.300 0.030 0.000 1.154 193 D CA -2.339 51.673 54.000 0.021 0.000 0.859 193 D CB 1.843 42.637 40.800 -0.011 0.000 1.045 193 D HN 0.078 nan 8.370 nan 0.000 0.495 194 P HA -0.102 nan 4.420 nan 0.000 0.223 194 P C 1.161 178.518 177.300 0.096 0.000 1.151 194 P CA 0.729 63.875 63.100 0.076 0.000 0.787 194 P CB 0.155 31.887 31.700 0.055 0.000 0.788 195 M N -0.730 118.859 119.600 -0.019 0.000 2.639 195 M HA 0.083 4.567 4.480 0.006 0.000 0.220 195 M C 0.588 176.522 176.300 -0.610 0.000 1.155 195 M CA 0.505 55.680 55.300 -0.208 0.000 1.003 195 M CB -0.172 32.344 32.600 -0.139 0.000 1.725 195 M HN -0.140 nan 8.290 nan 0.000 0.489 196 S N 0.780 116.287 115.700 -0.322 0.000 2.413 196 S HA 0.411 4.884 4.470 0.006 0.000 0.170 196 S C -1.030 173.578 174.600 0.014 0.000 1.294 196 S CA -0.584 57.456 58.200 -0.267 0.000 1.201 196 S CB 0.426 63.525 63.200 -0.169 0.000 1.328 196 S HN 0.027 nan 8.310 nan 0.000 0.418 197 V N 3.324 123.386 119.914 0.247 0.000 2.495 197 V HA 0.654 4.778 4.120 0.006 0.000 0.298 197 V C 0.024 176.304 176.094 0.310 0.000 1.031 197 V CA -0.456 62.014 62.300 0.283 0.000 0.871 197 V CB 1.966 33.986 31.823 0.329 0.000 0.988 197 V HN 0.708 nan 8.190 nan 0.000 0.432 198 T N 6.086 120.777 114.554 0.227 0.000 2.840 198 T HA 0.596 4.950 4.350 0.006 0.000 0.287 198 T C -0.362 174.492 174.700 0.257 0.000 0.991 198 T CA -0.356 61.880 62.100 0.226 0.000 0.964 198 T CB 0.940 69.872 68.868 0.107 0.000 0.954 198 T HN 0.358 nan 8.240 nan 0.000 0.438 199 L N 4.161 125.525 121.223 0.235 0.000 2.421 199 L HA 0.792 5.136 4.340 0.006 0.000 0.263 199 L C -0.477 176.661 176.870 0.446 0.000 1.122 199 L CA -0.915 54.059 54.840 0.224 0.000 0.804 199 L CB 0.599 42.603 42.059 -0.092 0.000 1.150 199 L HN 0.668 nan 8.230 nan 0.000 0.457 200 F N -0.536 119.502 119.950 0.147 0.000 2.665 200 F HA 0.889 5.420 4.527 0.006 0.000 0.308 200 F C -0.509 175.332 175.800 0.068 0.000 1.112 200 F CA -1.043 57.098 58.000 0.235 0.000 0.972 200 F CB 1.277 40.541 39.000 0.440 0.000 1.295 200 F HN 0.547 nan 8.300 nan 0.000 0.440 201 G N 0.892 109.619 108.800 -0.121 0.000 2.600 201 G HA2 0.520 4.484 3.960 0.006 0.000 0.293 201 G HA3 0.520 4.484 3.960 0.006 0.000 0.293 201 G C -2.502 172.239 174.900 -0.266 0.000 1.408 201 G CA -0.771 43.805 45.100 -0.872 0.000 0.782 201 G HN 0.873 nan 8.290 nan 0.000 0.482 202 E N -0.033 119.984 120.200 -0.305 0.000 2.266 202 E HA 0.619 4.973 4.350 0.006 0.000 0.268 202 E C 0.553 177.112 176.600 -0.068 0.000 0.879 202 E CA 0.314 56.724 56.400 0.016 0.000 0.762 202 E CB 2.162 32.005 29.700 0.237 0.000 1.199 202 E HN 0.967 nan 8.360 nan 0.000 0.422 203 S N 2.811 118.539 115.700 0.047 0.000 4.140 203 S HA -0.390 4.084 4.470 0.006 0.000 0.618 203 S C 1.481 176.169 174.600 0.147 0.000 1.896 203 S CA 2.229 60.517 58.200 0.148 0.000 4.240 203 S CB -1.675 61.554 63.200 0.049 0.000 0.208 203 S HN 1.020 nan 8.310 nan 0.000 0.487 204 A N 1.175 123.931 122.820 -0.107 0.000 1.978 204 A HA 0.154 4.478 4.320 0.006 0.000 0.220 204 A C 2.536 179.807 177.584 -0.522 0.000 1.170 204 A CA 2.495 54.226 52.037 -0.510 0.000 0.636 204 A CB -1.613 16.670 19.000 -1.196 0.000 0.810 204 A HN 1.658 nan 8.150 nan 0.000 0.448 205 G N -0.582 107.982 108.800 -0.393 0.000 2.422 205 G HA2 0.004 3.968 3.960 0.006 0.000 0.218 205 G HA3 0.004 3.968 3.960 0.006 0.000 0.218 205 G C 1.693 176.413 174.900 -0.299 0.000 1.146 205 G CA 1.370 46.204 45.100 -0.443 0.000 0.769 205 G HN 0.776 nan 8.290 nan 0.000 0.547 206 A N 1.072 123.799 122.820 -0.155 0.000 1.897 206 A HA 0.411 4.734 4.320 0.006 0.000 0.215 206 A C 2.823 180.394 177.584 -0.022 0.000 1.181 206 A CA 1.913 53.925 52.037 -0.041 0.000 0.620 206 A CB -0.793 18.242 19.000 0.058 0.000 0.821 206 A HN 0.741 nan 8.150 nan 0.000 0.443 207 A N -0.128 122.697 122.820 0.009 0.000 1.892 207 A HA -0.157 4.167 4.320 0.006 0.000 0.218 207 A C 2.456 180.041 177.584 0.001 0.000 1.188 207 A CA 2.344 54.376 52.037 -0.008 0.000 0.631 207 A CB -1.056 17.967 19.000 0.039 0.000 0.822 207 A HN 0.456 nan 8.150 nan 0.000 0.447 208 S N -0.521 115.174 115.700 -0.009 0.000 2.353 208 S HA -0.168 4.306 4.470 0.006 0.000 0.222 208 S C 1.918 176.484 174.600 -0.057 0.000 1.035 208 S CA 1.520 59.678 58.200 -0.071 0.000 1.025 208 S CB -0.687 62.401 63.200 -0.187 0.000 0.902 208 S HN 0.362 nan 8.310 nan 0.000 0.440 209 V N 1.706 121.595 119.914 -0.042 0.000 2.282 209 V HA -0.232 3.891 4.120 0.006 0.000 0.249 209 V C 2.610 178.708 176.094 0.007 0.000 1.057 209 V CA 2.088 64.379 62.300 -0.015 0.000 1.032 209 V CB -1.547 30.249 31.823 -0.044 0.000 0.645 209 V HN 0.618 nan 8.190 nan 0.000 0.447 210 G N -1.114 107.682 108.800 -0.007 0.000 2.422 210 G HA2 -0.256 3.707 3.960 0.006 0.000 0.218 210 G HA3 -0.256 3.707 3.960 0.006 0.000 0.218 210 G C 1.600 176.516 174.900 0.027 0.000 1.146 210 G CA 0.985 46.085 45.100 0.001 0.000 0.769 210 G HN 0.458 nan 8.290 nan 0.000 0.547 211 M N -0.372 119.224 119.600 -0.007 0.000 2.213 211 M HA -0.018 4.465 4.480 0.006 0.000 0.263 211 M C 2.207 178.570 176.300 0.105 0.000 1.062 211 M CA 1.161 56.486 55.300 0.041 0.000 1.105 211 M CB -0.243 32.342 32.600 -0.024 0.000 1.385 211 M HN 0.340 nan 8.290 nan 0.000 0.417 212 H N -0.183 118.989 119.070 0.171 0.000 2.395 212 H HA 0.010 4.570 4.556 0.006 0.000 0.299 212 H C 1.990 177.483 175.328 0.276 0.000 1.070 212 H CA 1.303 57.447 56.048 0.159 0.000 1.356 212 H CB 0.056 29.780 29.762 -0.063 0.000 1.401 212 H HN 0.291 nan 8.280 nan 0.000 0.524 213 I N 0.399 121.204 120.570 0.392 0.000 2.208 213 I HA -0.259 3.914 4.170 0.006 0.000 0.245 213 I C 1.559 177.844 176.117 0.280 0.000 1.097 213 I CA 1.284 62.831 61.300 0.411 0.000 1.363 213 I CB -0.136 38.024 38.000 0.266 0.000 1.051 213 I HN 0.258 nan 8.210 nan 0.000 0.413 214 L N -0.721 120.620 121.223 0.198 0.000 2.492 214 L HA 0.052 4.395 4.340 0.006 0.000 0.223 214 L C 1.122 178.036 176.870 0.074 0.000 1.132 214 L CA 0.098 55.033 54.840 0.157 0.000 0.850 214 L CB -0.059 42.073 42.059 0.122 0.000 0.966 214 L HN 0.049 nan 8.230 nan 0.000 0.454 215 S N -0.246 115.465 115.700 0.019 0.000 2.422 215 S HA 0.311 4.784 4.470 0.006 0.000 0.308 215 S C 1.035 175.561 174.600 -0.123 0.000 1.097 215 S CA -0.571 57.518 58.200 -0.184 0.000 1.099 215 S CB 1.098 63.893 63.200 -0.675 0.000 0.976 215 S HN 0.158 nan 8.310 nan 0.000 0.471 216 L N 5.975 127.131 121.223 -0.111 0.000 1.971 216 L HA -0.072 4.272 4.340 0.006 0.000 0.215 216 L C -0.701 176.129 176.870 -0.065 0.000 1.072 216 L CA 1.691 56.489 54.840 -0.070 0.000 0.758 216 L CB -1.123 40.896 42.059 -0.066 0.000 0.889 216 L HN 0.521 nan 8.230 nan 0.000 0.433 217 P HA -0.139 nan 4.420 nan 0.000 0.218 217 P C 1.485 178.784 177.300 -0.001 0.000 1.146 217 P CA 1.336 64.403 63.100 -0.054 0.000 0.813 217 P CB 0.012 31.670 31.700 -0.070 0.000 0.778 218 S N -1.061 114.659 115.700 0.034 0.000 2.489 218 S HA -0.010 4.464 4.470 0.006 0.000 0.228 218 S C 1.775 176.521 174.600 0.242 0.000 0.995 218 S CA 0.545 58.861 58.200 0.192 0.000 0.934 218 S CB -0.373 63.062 63.200 0.391 0.000 0.771 218 S HN 0.095 nan 8.310 nan 0.000 0.522 219 R N 1.871 122.415 120.500 0.073 0.000 2.148 219 R HA 0.074 4.418 4.340 0.006 0.000 0.223 219 R C 2.185 178.303 176.300 -0.304 0.000 1.088 219 R CA 1.070 57.075 56.100 -0.157 0.000 0.985 219 R CB -1.070 29.152 30.300 -0.129 0.000 0.880 219 R HN 0.547 nan 8.270 nan 0.000 0.451 220 S N 0.199 115.809 115.700 -0.149 0.000 2.561 220 S HA 0.057 4.531 4.470 0.006 0.000 0.225 220 S C 1.685 176.199 174.600 -0.144 0.000 0.977 220 S CA 0.390 58.497 58.200 -0.155 0.000 0.926 220 S CB -0.142 63.016 63.200 -0.070 0.000 0.769 220 S HN 0.204 nan 8.310 nan 0.000 0.533 221 L N 0.587 121.780 121.223 -0.051 0.000 2.667 221 L HA 0.484 4.828 4.340 0.006 0.000 0.232 221 L C -0.045 176.920 176.870 0.159 0.000 1.138 221 L CA -0.370 54.510 54.840 0.068 0.000 0.921 221 L CB -0.126 42.009 42.059 0.126 0.000 1.180 221 L HN 0.476 nan 8.230 nan 0.000 0.487 222 F N -4.095 115.697 119.950 -0.264 0.000 2.773 222 F HA 0.423 4.953 4.527 0.005 0.000 0.314 222 F C -0.010 175.500 175.800 -0.482 0.000 1.160 222 F CA -1.102 56.758 58.000 -0.234 0.000 0.920 222 F CB 0.824 39.797 39.000 -0.043 0.000 1.323 222 F HN -0.134 nan 8.300 nan 0.000 0.457 223 H N -1.039 118.054 119.070 0.039 0.000 3.205 223 H HA 0.540 5.100 4.556 0.006 0.000 0.252 223 H C -0.291 175.037 175.328 -0.001 0.000 1.015 223 H CA -0.169 55.823 56.048 -0.093 0.000 1.192 223 H CB 0.724 30.454 29.762 -0.054 0.000 1.474 223 H HN 0.428 nan 8.280 nan 0.000 0.484 224 R N -0.030 120.649 120.500 0.300 0.000 2.710 224 R HA 0.790 5.134 4.340 0.006 0.000 0.270 224 R C -1.542 175.021 176.300 0.439 0.000 1.021 224 R CA -0.757 55.492 56.100 0.249 0.000 0.889 224 R CB 2.628 32.887 30.300 -0.068 0.000 1.243 224 R HN 0.168 nan 8.270 nan 0.000 0.464 225 A N 1.037 124.134 122.820 0.461 0.000 2.515 225 A HA 0.792 5.116 4.320 0.006 0.000 0.296 225 A C -1.494 176.267 177.584 0.296 0.000 1.094 225 A CA -0.623 51.624 52.037 0.350 0.000 0.718 225 A CB 2.126 21.284 19.000 0.265 0.000 1.307 225 A HN 0.296 nan 8.150 nan 0.000 0.408 226 V N 1.403 121.447 119.914 0.218 0.000 2.524 226 V HA 0.425 4.549 4.120 0.006 0.000 0.297 226 V C -1.441 174.773 176.094 0.200 0.000 1.035 226 V CA -0.180 62.193 62.300 0.122 0.000 0.867 226 V CB 1.301 33.210 31.823 0.142 0.000 1.004 226 V HN 0.676 nan 8.190 nan 0.000 0.426 227 L N 5.377 126.681 121.223 0.136 0.000 2.294 227 L HA 0.562 4.906 4.340 0.006 0.000 0.283 227 L C 0.030 177.019 176.870 0.197 0.000 1.015 227 L CA -0.006 54.913 54.840 0.131 0.000 0.831 227 L CB 1.516 43.604 42.059 0.047 0.000 1.217 227 L HN 0.608 nan 8.230 nan 0.000 0.420 228 Q N 1.886 121.855 119.800 0.282 0.000 2.314 228 Q HA 0.453 4.797 4.340 0.006 0.000 0.259 228 Q C 0.230 176.374 176.000 0.239 0.000 0.951 228 Q CA -0.590 55.429 55.803 0.361 0.000 0.909 228 Q CB 1.423 30.468 28.738 0.512 0.000 1.236 228 Q HN 0.609 nan 8.270 nan 0.000 0.444 229 S N 0.969 116.796 115.700 0.212 0.000 3.614 229 S HA -0.172 4.302 4.470 0.006 0.000 0.360 229 S C 0.039 174.836 174.600 0.328 0.000 1.023 229 S CA 0.606 58.957 58.200 0.252 0.000 1.114 229 S CB -1.151 62.196 63.200 0.245 0.000 0.907 229 S HN 0.994 nan 8.310 nan 0.000 0.470 230 G N -0.626 108.326 108.800 0.252 0.000 2.489 230 G HA2 0.661 4.624 3.960 0.006 0.000 0.291 230 G HA3 0.661 4.624 3.960 0.006 0.000 0.291 230 G C -0.947 174.032 174.900 0.131 0.000 1.487 230 G CA 0.191 45.489 45.100 0.330 0.000 0.795 230 G HN 0.958 nan 8.290 nan 0.000 0.513 231 T N -1.663 112.909 114.554 0.030 0.000 2.853 231 T HA 0.737 5.091 4.350 0.006 0.000 0.311 231 T C -2.420 172.146 174.700 -0.223 0.000 1.307 231 T CA -1.160 60.880 62.100 -0.100 0.000 1.019 231 T CB 2.933 71.726 68.868 -0.124 0.000 1.264 231 T HN 0.317 nan 8.240 nan 0.000 0.497 232 P HA -0.003 nan 4.420 nan 0.000 0.219 232 P C 0.402 177.549 177.300 -0.256 0.000 1.154 232 P CA 0.594 63.572 63.100 -0.203 0.000 0.826 232 P CB -0.162 31.472 31.700 -0.110 0.000 0.795 233 N N 1.069 119.643 118.700 -0.211 0.000 2.260 233 N HA 0.180 4.924 4.740 0.006 0.000 0.230 233 N C 0.829 176.144 175.510 -0.325 0.000 1.323 233 N CA 1.121 54.042 53.050 -0.215 0.000 0.897 233 N CB -0.283 38.117 38.487 -0.146 0.000 1.146 233 N HN 0.272 nan 8.380 nan 0.000 0.460 234 G N -0.909 107.713 108.800 -0.297 0.000 2.525 234 G HA2 -0.116 3.848 3.960 0.006 0.000 0.685 234 G HA3 -0.116 3.848 3.960 0.006 0.000 0.685 234 G C -2.186 172.471 174.900 -0.404 0.000 1.290 234 G CA -0.194 44.682 45.100 -0.373 0.000 0.915 234 G HN 0.558 nan 8.290 nan 0.000 0.548 235 P HA 0.132 nan 4.420 nan 0.000 0.236 235 P C 1.272 178.492 177.300 -0.133 0.000 1.177 235 P CA 1.940 64.887 63.100 -0.255 0.000 0.773 235 P CB -0.037 31.461 31.700 -0.336 0.000 0.878 236 W N -2.189 119.017 121.300 -0.156 0.000 2.555 236 W HA 0.619 5.282 4.660 0.005 0.000 0.324 236 W C 0.741 177.319 176.519 0.098 0.000 0.973 236 W CA 0.392 57.719 57.345 -0.030 0.000 1.481 236 W CB -0.541 28.937 29.460 0.030 0.000 1.064 236 W HN -0.167 nan 8.180 nan 0.000 0.543 237 A N 1.835 124.352 122.820 -0.506 0.000 2.147 237 A HA 0.212 4.535 4.320 0.006 0.000 0.211 237 A C 1.112 178.525 177.584 -0.285 0.000 1.160 237 A CA 1.676 53.456 52.037 -0.428 0.000 0.781 237 A CB -0.568 17.899 19.000 -0.889 0.000 0.842 237 A HN 0.184 nan 8.150 nan 0.000 0.475 238 T N -2.975 111.428 114.554 -0.252 0.000 2.865 238 T HA 0.648 5.001 4.350 0.006 0.000 0.294 238 T C -0.647 173.966 174.700 -0.144 0.000 1.119 238 T CA -0.089 61.880 62.100 -0.217 0.000 1.007 238 T CB 1.414 70.166 68.868 -0.192 0.000 1.225 238 T HN 0.940 nan 8.240 nan 0.000 0.515 239 V N -1.256 118.583 119.914 -0.124 0.000 3.078 239 V HA 0.877 5.000 4.120 0.006 0.000 0.311 239 V C 0.222 176.273 176.094 -0.072 0.000 1.138 239 V CA -0.855 61.391 62.300 -0.090 0.000 1.007 239 V CB 1.307 33.078 31.823 -0.087 0.000 1.045 239 V HN 1.384 nan 8.190 nan 0.000 0.432 240 S N 1.883 117.548 115.700 -0.058 0.000 2.589 240 S HA 0.559 5.033 4.470 0.006 0.000 0.265 240 S C 1.456 176.034 174.600 -0.036 0.000 1.342 240 S CA 0.118 58.292 58.200 -0.044 0.000 1.005 240 S CB 1.129 64.306 63.200 -0.039 0.000 0.909 240 S HN 1.989 nan 8.310 nan 0.000 0.555 241 A N 1.862 124.666 122.820 -0.026 0.000 1.908 241 A HA 0.081 4.405 4.320 0.006 0.000 0.218 241 A C 2.236 179.807 177.584 -0.021 0.000 1.181 241 A CA 1.822 53.848 52.037 -0.019 0.000 0.627 241 A CB -1.865 17.128 19.000 -0.012 0.000 0.818 241 A HN 1.150 nan 8.150 nan 0.000 0.445 242 G N -0.661 108.125 108.800 -0.024 0.000 2.418 242 G HA2 -0.224 3.739 3.960 0.006 0.000 0.217 242 G HA3 -0.224 3.739 3.960 0.006 0.000 0.217 242 G C 1.478 176.360 174.900 -0.030 0.000 1.158 242 G CA 1.368 46.453 45.100 -0.024 0.000 0.771 242 G HN 0.576 nan 8.290 nan 0.000 0.545 243 E N 0.889 121.066 120.200 -0.038 0.000 2.107 243 E HA 0.136 4.490 4.350 0.006 0.000 0.191 243 E C 2.637 179.202 176.600 -0.058 0.000 0.982 243 E CA 1.249 57.619 56.400 -0.050 0.000 0.809 243 E CB -0.479 29.187 29.700 -0.057 0.000 0.756 243 E HN 0.263 nan 8.360 nan 0.000 0.459 244 A N 0.988 123.781 122.820 -0.045 0.000 1.877 244 A HA -0.194 4.130 4.320 0.006 0.000 0.216 244 A C 2.300 179.880 177.584 -0.007 0.000 1.186 244 A CA 1.816 53.837 52.037 -0.026 0.000 0.620 244 A CB -0.646 18.351 19.000 -0.004 0.000 0.822 244 A HN 0.279 nan 8.150 nan 0.000 0.443 245 R N -0.598 119.894 120.500 -0.014 0.000 2.091 245 R HA -0.140 4.203 4.340 0.006 0.000 0.238 245 R C 2.446 178.736 176.300 -0.015 0.000 1.136 245 R CA 1.641 57.732 56.100 -0.015 0.000 0.959 245 R CB -0.300 29.989 30.300 -0.019 0.000 0.856 245 R HN 0.516 nan 8.270 nan 0.000 0.437 246 R N 0.413 120.899 120.500 -0.023 0.000 2.075 246 R HA -0.096 4.247 4.340 0.006 0.000 0.232 246 R C 2.173 178.459 176.300 -0.023 0.000 1.126 246 R CA 1.543 57.629 56.100 -0.024 0.000 0.963 246 R CB -0.069 30.212 30.300 -0.031 0.000 0.858 246 R HN 0.259 nan 8.270 nan 0.000 0.435 247 R N -0.211 120.263 120.500 -0.042 0.000 2.075 247 R HA -0.038 4.306 4.340 0.006 0.000 0.232 247 R C 2.336 178.683 176.300 0.078 0.000 1.126 247 R CA 1.318 57.381 56.100 -0.062 0.000 0.963 247 R CB -0.297 29.854 30.300 -0.248 0.000 0.858 247 R HN 0.225 nan 8.270 nan 0.000 0.435 248 A N 0.353 123.246 122.820 0.120 0.000 1.933 248 A HA -0.142 4.181 4.320 0.006 0.000 0.218 248 A C 2.103 179.695 177.584 0.013 0.000 1.175 248 A CA 1.878 53.978 52.037 0.105 0.000 0.628 248 A CB -0.664 18.340 19.000 0.007 0.000 0.814 248 A HN 0.268 nan 8.150 nan 0.000 0.444 249 T N -0.088 114.466 114.554 0.000 0.000 2.812 249 T HA -0.068 4.285 4.350 0.006 0.000 0.264 249 T C 1.820 176.516 174.700 -0.006 0.000 1.042 249 T CA 1.292 63.382 62.100 -0.016 0.000 1.140 249 T CB -0.297 68.560 68.868 -0.018 0.000 0.870 249 T HN 0.294 nan 8.240 nan 0.000 0.445 250 L N 1.341 122.569 121.223 0.009 0.000 2.017 250 L HA 0.089 4.433 4.340 0.006 0.000 0.208 250 L C 2.188 179.075 176.870 0.027 0.000 1.073 250 L CA 1.487 56.337 54.840 0.016 0.000 0.745 250 L CB -1.023 41.049 42.059 0.020 0.000 0.894 250 L HN 0.208 nan 8.230 nan 0.000 0.432 251 L N -0.246 121.013 121.223 0.061 0.000 2.012 251 L HA -0.149 4.195 4.340 0.006 0.000 0.210 251 L C 2.538 179.395 176.870 -0.022 0.000 1.073 251 L CA 2.065 56.942 54.840 0.061 0.000 0.748 251 L CB -0.827 41.307 42.059 0.126 0.000 0.891 251 L HN 0.304 nan 8.230 nan 0.000 0.431 252 A N -0.191 122.607 122.820 -0.037 0.000 1.884 252 A HA -0.307 4.016 4.320 0.006 0.000 0.219 252 A C 2.418 179.970 177.584 -0.054 0.000 1.197 252 A CA 2.287 54.291 52.037 -0.055 0.000 0.637 252 A CB -0.769 18.196 19.000 -0.057 0.000 0.827 252 A HN 0.526 nan 8.150 nan 0.000 0.450 253 R N -0.817 119.659 120.500 -0.041 0.000 2.096 253 R HA -0.120 4.223 4.340 0.006 0.000 0.240 253 R C 2.120 178.379 176.300 -0.067 0.000 1.139 253 R CA 1.676 57.751 56.100 -0.041 0.000 0.952 253 R CB -0.570 29.716 30.300 -0.024 0.000 0.854 253 R HN 0.569 nan 8.270 nan 0.000 0.436 254 L N 0.617 121.788 121.223 -0.087 0.000 2.191 254 L HA -0.108 4.236 4.340 0.006 0.000 0.212 254 L C 1.944 178.600 176.870 -0.356 0.000 1.103 254 L CA 0.802 55.540 54.840 -0.171 0.000 0.769 254 L CB -0.197 41.791 42.059 -0.118 0.000 0.908 254 L HN 0.173 nan 8.230 nan 0.000 0.438 255 V N -3.621 116.128 119.914 -0.274 0.000 3.444 255 V HA 0.478 4.602 4.120 0.006 0.000 0.308 255 V C 1.054 177.091 176.094 -0.095 0.000 1.371 255 V CA 0.174 62.341 62.300 -0.221 0.000 1.141 255 V CB -0.414 31.326 31.823 -0.139 0.000 1.037 255 V HN 0.442 nan 8.190 nan 0.000 0.433 256 G N -0.310 108.443 108.800 -0.079 0.000 2.204 256 G HA2 -0.217 3.746 3.960 0.006 0.000 0.244 256 G HA3 -0.217 3.746 3.960 0.006 0.000 0.244 256 G C -0.117 174.767 174.900 -0.027 0.000 1.062 256 G CA -0.035 45.041 45.100 -0.040 0.000 0.798 256 G HN 0.733 nan 8.290 nan 0.000 0.496 257 c N 1.055 119.636 118.600 -0.032 0.000 2.356 257 c HA 0.558 5.132 4.570 0.006 0.000 0.324 257 c C -1.031 173.044 174.090 -0.024 0.000 1.167 257 c CA -1.386 54.929 56.329 -0.023 0.000 1.420 257 c CB 1.164 43.660 42.510 -0.024 0.000 2.036 257 c HN 0.484 nan 8.230 nan 0.000 0.435 266 D N 1.170 121.561 120.400 -0.014 0.000 2.149 266 D HA -0.022 4.621 4.640 0.006 0.000 0.201 266 D C 1.340 177.630 176.300 -0.017 0.000 0.972 266 D CA 1.471 55.458 54.000 -0.022 0.000 0.835 266 D CB 0.256 41.042 40.800 -0.024 0.000 0.966 266 D HN 0.585 nan 8.370 nan 0.000 0.476 267 T N 0.806 115.356 114.554 -0.006 0.000 2.684 267 T HA -0.204 4.150 4.350 0.006 0.000 0.267 267 T C 1.815 176.518 174.700 0.006 0.000 1.036 267 T CA 1.598 63.700 62.100 0.004 0.000 1.148 267 T CB -0.209 68.663 68.868 0.007 0.000 0.863 267 T HN 0.333 nan 8.240 nan 0.000 0.436 268 E N 0.679 120.880 120.200 0.001 0.000 2.077 268 E HA -0.108 4.246 4.350 0.006 0.000 0.193 268 E C 2.234 178.833 176.600 -0.001 0.000 0.989 268 E CA 0.814 57.216 56.400 0.002 0.000 0.800 268 E CB -0.273 29.427 29.700 -0.000 0.000 0.746 268 E HN 0.485 nan 8.360 nan 0.000 0.452 269 L N 0.468 121.683 121.223 -0.013 0.000 2.005 269 L HA -0.128 4.215 4.340 0.006 0.000 0.207 269 L C 2.378 179.231 176.870 -0.027 0.000 1.072 269 L CA 1.325 56.150 54.840 -0.025 0.000 0.744 269 L CB -0.176 41.858 42.059 -0.041 0.000 0.895 269 L HN 0.228 nan 8.230 nan 0.000 0.433 270 I N 0.093 120.644 120.570 -0.031 0.000 2.226 270 I HA -0.272 3.901 4.170 0.006 0.000 0.245 270 I C 2.766 178.927 176.117 0.073 0.000 1.100 270 I CA 1.098 62.390 61.300 -0.014 0.000 1.374 270 I CB -0.626 37.365 38.000 -0.015 0.000 1.057 270 I HN 0.346 nan 8.210 nan 0.000 0.413 271 A N -0.242 122.609 122.820 0.051 0.000 1.908 271 A HA -0.306 4.018 4.320 0.006 0.000 0.218 271 A C 2.530 180.147 177.584 0.055 0.000 1.181 271 A CA 2.063 54.134 52.037 0.055 0.000 0.627 271 A CB -1.368 17.652 19.000 0.033 0.000 0.818 271 A HN 0.633 nan 8.150 nan 0.000 0.445 272 c N -0.713 117.909 118.600 0.038 0.000 2.440 272 c HA 0.069 4.643 4.570 0.006 0.000 0.278 272 c C 2.579 176.699 174.090 0.051 0.000 1.295 272 c CA 0.925 57.273 56.329 0.032 0.000 1.738 272 c CB -1.573 40.944 42.510 0.012 0.000 1.987 272 c HN 0.586 nan 8.230 nan 0.000 0.492 273 L N 0.384 121.651 121.223 0.073 0.000 2.131 273 L HA -0.114 4.230 4.340 0.006 0.000 0.210 273 L C 2.912 179.906 176.870 0.207 0.000 1.092 273 L CA 1.486 56.408 54.840 0.136 0.000 0.759 273 L CB -0.594 41.539 42.059 0.123 0.000 0.903 273 L HN 0.350 nan 8.230 nan 0.000 0.435 274 R N -0.651 119.966 120.500 0.196 0.000 2.235 274 R HA -0.090 4.254 4.340 0.006 0.000 0.213 274 R C 2.106 178.428 176.300 0.037 0.000 1.059 274 R CA 1.520 57.674 56.100 0.091 0.000 0.997 274 R CB -0.315 30.028 30.300 0.071 0.000 0.884 274 R HN 0.499 nan 8.270 nan 0.000 0.462 275 T N -1.581 113.000 114.554 0.044 0.000 3.088 275 T HA 0.102 4.456 4.350 0.006 0.000 0.259 275 T C 0.839 175.553 174.700 0.023 0.000 1.122 275 T CA -0.089 62.026 62.100 0.025 0.000 1.095 275 T CB 0.149 69.031 68.868 0.024 0.000 0.930 275 T HN -0.139 nan 8.240 nan 0.000 0.508 276 R N 2.576 123.096 120.500 0.034 0.000 2.441 276 R HA 0.437 4.781 4.340 0.006 0.000 0.284 276 R C -2.764 173.549 176.300 0.021 0.000 1.070 276 R CA -3.109 53.010 56.100 0.032 0.000 1.047 276 R CB -0.615 29.710 30.300 0.042 0.000 1.016 276 R HN 0.214 nan 8.270 nan 0.000 0.477 277 P HA -0.028 nan 4.420 nan 0.000 0.264 277 P C 0.329 177.607 177.300 -0.036 0.000 1.183 277 P CA 0.305 63.397 63.100 -0.013 0.000 0.763 277 P CB 0.537 32.241 31.700 0.006 0.000 0.807 278 A N 3.169 125.902 122.820 -0.145 0.000 1.917 278 A HA -0.300 4.023 4.320 0.006 0.000 0.219 278 A C 2.173 179.622 177.584 -0.225 0.000 1.182 278 A CA 2.061 53.968 52.037 -0.218 0.000 0.633 278 A CB -1.170 17.288 19.000 -0.903 0.000 0.819 278 A HN 0.549 nan 8.150 nan 0.000 0.448 279 Q N -0.045 119.595 119.800 -0.266 0.000 2.084 279 Q HA -0.166 4.178 4.340 0.006 0.000 0.202 279 Q C 1.429 177.490 176.000 0.100 0.000 0.978 279 Q CA 2.047 57.853 55.803 0.006 0.000 0.844 279 Q CB -0.436 28.371 28.738 0.115 0.000 0.898 279 Q HN 0.625 nan 8.270 nan 0.000 0.426 280 D N -0.349 120.108 120.400 0.096 0.000 2.149 280 D HA -0.191 4.453 4.640 0.006 0.000 0.194 280 D C 1.723 178.160 176.300 0.229 0.000 1.001 280 D CA 1.259 55.367 54.000 0.181 0.000 0.849 280 D CB -0.182 40.707 40.800 0.149 0.000 0.939 280 D HN 0.300 nan 8.370 nan 0.000 0.449 281 L N -0.156 121.136 121.223 0.115 0.000 2.027 281 L HA -0.138 4.205 4.340 0.006 0.000 0.206 281 L C 2.483 179.392 176.870 0.064 0.000 1.074 281 L CA 0.631 55.488 54.840 0.028 0.000 0.745 281 L CB -0.459 41.486 42.059 -0.190 0.000 0.898 281 L HN -0.011 nan 8.230 nan 0.000 0.433 282 V N -0.226 119.775 119.914 0.146 0.000 2.343 282 V HA -0.280 3.844 4.120 0.006 0.000 0.247 282 V C 1.960 178.172 176.094 0.196 0.000 1.051 282 V CA 1.827 64.270 62.300 0.238 0.000 1.036 282 V CB -0.581 31.495 31.823 0.422 0.000 0.654 282 V HN 0.419 nan 8.190 nan 0.000 0.451 283 D N -0.730 119.748 120.400 0.129 0.000 2.311 283 D HA -0.139 4.505 4.640 0.006 0.000 0.212 283 D C 1.648 177.785 176.300 -0.272 0.000 0.972 283 D CA 1.333 55.312 54.000 -0.034 0.000 0.887 283 D CB -0.202 40.522 40.800 -0.127 0.000 0.915 283 D HN 0.660 nan 8.370 nan 0.000 0.497 284 H N -1.310 117.788 119.070 0.048 0.000 2.893 284 H HA 0.131 4.690 4.556 0.006 0.000 0.270 284 H C 1.557 176.836 175.328 -0.082 0.000 1.095 284 H CA 0.094 56.150 56.048 0.014 0.000 1.186 284 H CB 0.454 30.306 29.762 0.150 0.000 1.562 284 H HN 0.212 nan 8.280 nan 0.000 0.536 285 E N 0.545 120.710 120.200 -0.059 0.000 2.204 285 E HA -0.188 4.166 4.350 0.006 0.000 0.194 285 E C 0.678 176.990 176.600 -0.481 0.000 0.989 285 E CA 0.970 57.275 56.400 -0.157 0.000 0.824 285 E CB -0.196 29.378 29.700 -0.209 0.000 0.756 285 E HN 0.558 nan 8.360 nan 0.000 0.477 286 W N 0.461 121.689 121.300 -0.119 0.000 2.800 286 W HA 0.044 4.707 4.660 0.006 0.000 0.249 286 W C 1.422 177.908 176.519 -0.056 0.000 1.294 286 W CA 0.073 57.319 57.345 -0.164 0.000 1.402 286 W CB 0.206 29.513 29.460 -0.255 0.000 1.126 286 W HN 0.197 nan 8.180 nan 0.000 0.652 287 H N -0.242 118.927 119.070 0.165 0.000 2.543 287 H HA 0.070 4.630 4.556 0.006 0.000 0.269 287 H C 1.788 177.159 175.328 0.071 0.000 1.005 287 H CA 0.876 57.007 56.048 0.138 0.000 1.146 287 H CB -0.509 29.353 29.762 0.167 0.000 1.353 287 H HN 0.254 nan 8.280 nan 0.000 0.595 288 V N -2.733 117.245 119.914 0.106 0.000 3.477 288 V HA 0.256 4.380 4.120 0.006 0.000 0.297 288 V C 0.691 176.756 176.094 -0.049 0.000 1.433 288 V CA -0.212 62.094 62.300 0.010 0.000 1.052 288 V CB -0.078 31.714 31.823 -0.051 0.000 0.895 288 V HN -0.029 nan 8.190 nan 0.000 0.438 289 L N 2.462 123.675 121.223 -0.018 0.000 2.456 289 L HA 0.277 4.621 4.340 0.006 0.000 0.272 289 L C -0.384 176.484 176.870 -0.003 0.000 1.189 289 L CA -0.989 53.838 54.840 -0.023 0.000 0.846 289 L CB 0.761 42.837 42.059 0.029 0.000 1.111 289 L HN 0.140 nan 8.230 nan 0.000 0.475 290 P HA -0.070 nan 4.420 nan 0.000 0.223 290 P C -0.176 177.126 177.300 0.003 0.000 1.151 290 P CA 1.133 64.227 63.100 -0.010 0.000 0.787 290 P CB 0.431 32.119 31.700 -0.020 0.000 0.788 291 Q N -0.508 119.296 119.800 0.006 0.000 2.528 291 Q HA 0.285 4.628 4.340 0.006 0.000 0.289 291 Q C -0.468 175.544 176.000 0.020 0.000 1.091 291 Q CA -0.852 54.958 55.803 0.011 0.000 0.797 291 Q CB 1.472 30.212 28.738 0.004 0.000 1.466 291 Q HN 0.094 nan 8.270 nan 0.000 0.436 292 E N 1.239 121.451 120.200 0.021 0.000 2.299 292 E HA 0.278 4.632 4.350 0.006 0.000 0.272 292 E C -0.936 175.670 176.600 0.011 0.000 1.043 292 E CA 0.128 56.542 56.400 0.024 0.000 0.895 292 E CB 0.423 30.139 29.700 0.025 0.000 1.011 292 E HN 0.625 nan 8.360 nan 0.000 0.432 293 S N 3.980 119.682 115.700 0.002 0.000 2.615 293 S HA 0.639 5.113 4.470 0.006 0.000 0.269 293 S C -0.520 174.058 174.600 -0.037 0.000 1.161 293 S CA -1.032 57.158 58.200 -0.017 0.000 0.817 293 S CB 0.787 63.969 63.200 -0.030 0.000 1.131 293 S HN 0.572 nan 8.310 nan 0.000 0.467 294 I N -2.743 117.800 120.570 -0.045 0.000 2.934 294 I HA 0.807 4.981 4.170 0.006 0.000 0.306 294 I C -0.315 175.728 176.117 -0.124 0.000 1.110 294 I CA -1.158 60.108 61.300 -0.055 0.000 1.019 294 I CB 1.455 39.483 38.000 0.047 0.000 1.227 294 I HN 0.807 nan 8.210 nan 0.000 0.434 295 F N 1.836 121.504 119.950 -0.470 0.000 3.091 295 F HA -0.178 4.353 4.527 0.006 0.000 0.288 295 F C -0.405 174.789 175.800 -1.011 0.000 0.907 295 F CA 0.606 58.080 58.000 -0.876 0.000 1.028 295 F CB -0.616 37.828 39.000 -0.926 0.000 1.022 295 F HN 0.611 nan 8.300 nan 0.000 0.665 296 R N 0.430 120.386 120.500 -0.906 0.000 2.628 296 R HA 0.647 4.990 4.340 0.006 0.000 0.288 296 R C -1.111 174.741 176.300 -0.748 0.000 0.980 296 R CA -0.559 55.136 56.100 -0.675 0.000 0.891 296 R CB 1.469 31.634 30.300 -0.225 0.000 1.188 296 R HN -0.002 nan 8.270 nan 0.000 0.450 297 F N -0.583 119.501 119.950 0.224 0.000 2.556 297 F HA 0.325 4.855 4.527 0.005 0.000 0.314 297 F C 1.430 177.218 175.800 -0.020 0.000 1.106 297 F CA -0.757 57.375 58.000 0.220 0.000 0.911 297 F CB 2.057 41.274 39.000 0.361 0.000 1.190 297 F HN 0.364 nan 8.300 nan 0.000 0.448 298 S N 1.111 116.734 115.700 -0.129 0.000 2.368 298 S HA -0.008 4.466 4.470 0.006 0.000 0.224 298 S C -0.008 174.135 174.600 -0.762 0.000 1.029 298 S CA 1.189 59.072 58.200 -0.528 0.000 0.988 298 S CB -0.185 62.548 63.200 -0.777 0.000 0.838 298 S HN 0.349 nan 8.310 nan 0.000 0.462 299 F N 1.370 121.322 119.950 0.003 0.000 2.434 299 F HA 0.565 5.095 4.527 0.006 0.000 0.355 299 F C -0.101 175.723 175.800 0.040 0.000 1.115 299 F CA -0.981 57.055 58.000 0.059 0.000 1.010 299 F CB 1.444 40.500 39.000 0.094 0.000 1.234 299 F HN -0.123 nan 8.300 nan 0.000 0.439 300 V N 0.746 120.631 119.914 -0.048 0.000 3.181 300 V HA 0.757 4.880 4.120 0.006 0.000 0.308 300 V C -2.917 172.800 176.094 -0.628 0.000 1.214 300 V CA -3.255 58.681 62.300 -0.605 0.000 1.053 300 V CB 1.991 33.643 31.823 -0.285 0.000 1.069 300 V HN 0.261 nan 8.190 nan 0.000 0.441 301 P HA 0.149 nan 4.420 nan 0.000 0.266 301 P C -0.686 176.470 177.300 -0.240 0.000 1.186 301 P CA 0.454 63.263 63.100 -0.485 0.000 0.767 301 P CB 0.521 31.869 31.700 -0.586 0.000 0.820 302 V N 4.105 123.953 119.914 -0.111 0.000 2.628 302 V HA 0.286 4.409 4.120 0.006 0.000 0.306 302 V C -0.528 175.540 176.094 -0.043 0.000 1.045 302 V CA -0.935 61.328 62.300 -0.063 0.000 0.905 302 V CB 2.306 34.121 31.823 -0.013 0.000 0.997 302 V HN 0.129 nan 8.190 nan 0.000 0.436 303 V N 6.948 126.840 119.914 -0.038 0.000 2.352 303 V HA 0.238 4.361 4.120 0.006 0.000 0.253 303 V C 0.599 176.695 176.094 0.003 0.000 1.083 303 V CA 0.162 62.453 62.300 -0.014 0.000 0.993 303 V CB 0.395 32.203 31.823 -0.026 0.000 1.111 303 V HN 1.054 nan 8.190 nan 0.000 0.490 304 D N 2.669 123.085 120.400 0.027 0.000 2.360 304 D HA 0.124 4.767 4.640 0.006 0.000 0.210 304 D C 1.521 177.841 176.300 0.034 0.000 1.047 304 D CA 0.585 54.604 54.000 0.033 0.000 0.854 304 D CB 0.331 41.163 40.800 0.053 0.000 0.936 304 D HN 0.678 nan 8.370 nan 0.000 0.514 305 G N 0.702 109.522 108.800 0.034 0.000 2.198 305 G HA2 -0.311 3.653 3.960 0.006 0.000 0.260 305 G HA3 -0.311 3.653 3.960 0.006 0.000 0.260 305 G C 0.196 175.117 174.900 0.034 0.000 1.025 305 G CA 0.847 45.963 45.100 0.027 0.000 0.769 305 G HN 0.556 nan 8.290 nan 0.000 0.507 306 D N -1.979 118.457 120.400 0.060 0.000 2.874 306 D HA 0.210 4.854 4.640 0.006 0.000 0.165 306 D C 1.622 177.976 176.300 0.090 0.000 1.410 306 D CA 0.337 54.377 54.000 0.066 0.000 1.561 306 D CB -0.749 40.100 40.800 0.081 0.000 1.417 306 D HN 0.060 nan 8.370 nan 0.000 0.196 307 F N 1.331 121.287 119.950 0.010 0.000 2.091 307 F HA 0.126 4.656 4.527 0.006 0.000 0.299 307 F C 0.601 176.398 175.800 -0.004 0.000 1.103 307 F CA 1.350 59.355 58.000 0.008 0.000 1.228 307 F CB 0.081 39.083 39.000 0.003 0.000 0.984 307 F HN 0.015 nan 8.300 nan 0.000 0.477 308 L N 0.687 122.078 121.223 0.280 0.000 2.276 308 L HA 0.200 4.544 4.340 0.006 0.000 0.286 308 L C 1.301 178.213 176.870 0.070 0.000 1.024 308 L CA -0.145 54.786 54.840 0.151 0.000 0.826 308 L CB 1.386 43.520 42.059 0.124 0.000 1.211 308 L HN 0.068 nan 8.230 nan 0.000 0.422 309 S N 0.237 115.958 115.700 0.034 0.000 2.489 309 S HA 0.030 4.504 4.470 0.006 0.000 0.228 309 S C 0.406 175.013 174.600 0.011 0.000 0.995 309 S CA 0.305 58.514 58.200 0.016 0.000 0.934 309 S CB 0.147 63.346 63.200 -0.002 0.000 0.771 309 S HN 0.717 nan 8.310 nan 0.000 0.522 310 D N 0.212 120.621 120.400 0.014 0.000 2.838 310 D HA 0.290 4.934 4.640 0.006 0.000 0.334 310 D C -0.925 175.377 176.300 0.003 0.000 1.315 310 D CA 0.038 54.041 54.000 0.005 0.000 0.917 310 D CB 1.248 42.049 40.800 0.002 0.000 1.435 310 D HN 0.214 nan 8.370 nan 0.000 0.517 311 T N -0.955 113.593 114.554 -0.009 0.000 2.918 311 T HA 0.312 4.666 4.350 0.006 0.000 0.302 311 T C -1.820 172.870 174.700 -0.018 0.000 1.045 311 T CA -0.803 61.283 62.100 -0.023 0.000 1.114 311 T CB 1.148 69.996 68.868 -0.033 0.000 0.965 311 T HN 0.094 nan 8.240 nan 0.000 0.540 312 P HA -0.148 nan 4.420 nan 0.000 0.216 312 P C 1.463 178.751 177.300 -0.019 0.000 1.150 312 P CA 1.225 64.307 63.100 -0.030 0.000 0.843 312 P CB 0.079 31.731 31.700 -0.079 0.000 0.787 313 E N -0.252 119.927 120.200 -0.035 0.000 2.058 313 E HA -0.220 4.134 4.350 0.006 0.000 0.194 313 E C 1.928 178.530 176.600 0.003 0.000 0.997 313 E CA 1.410 57.796 56.400 -0.023 0.000 0.801 313 E CB -0.575 29.104 29.700 -0.036 0.000 0.746 313 E HN 0.086 nan 8.360 nan 0.000 0.450 314 A N 1.039 123.860 122.820 0.001 0.000 1.902 314 A HA -0.129 4.195 4.320 0.006 0.000 0.217 314 A C 2.240 179.843 177.584 0.031 0.000 1.181 314 A CA 1.183 53.226 52.037 0.010 0.000 0.623 314 A CB -0.610 18.390 19.000 0.001 0.000 0.818 314 A HN 0.322 nan 8.150 nan 0.000 0.443 315 L N -0.159 121.090 121.223 0.042 0.000 2.056 315 L HA -0.138 4.205 4.340 0.006 0.000 0.207 315 L C 2.606 179.576 176.870 0.167 0.000 1.078 315 L CA 1.587 56.474 54.840 0.079 0.000 0.749 315 L CB -0.642 41.465 42.059 0.080 0.000 0.901 315 L HN 0.677 nan 8.230 nan 0.000 0.433 316 I N -2.446 118.221 120.570 0.162 0.000 2.493 316 I HA -0.171 4.003 4.170 0.006 0.000 0.254 316 I C 1.872 178.123 176.117 0.223 0.000 1.160 316 I CA 1.397 62.837 61.300 0.234 0.000 1.445 316 I CB -0.367 37.670 38.000 0.062 0.000 1.086 316 I HN 0.206 nan 8.210 nan 0.000 0.433 317 N N 1.216 119.987 118.700 0.118 0.000 2.376 317 N HA -0.069 4.675 4.740 0.006 0.000 0.177 317 N C 1.769 177.317 175.510 0.063 0.000 1.024 317 N CA 1.895 54.996 53.050 0.084 0.000 0.893 317 N CB -0.285 38.228 38.487 0.044 0.000 0.980 317 N HN 0.658 nan 8.380 nan 0.000 0.439 318 T N -3.347 111.230 114.554 0.039 0.000 3.054 318 T HA 0.313 4.667 4.350 0.006 0.000 0.255 318 T C 0.938 175.583 174.700 -0.093 0.000 1.035 318 T CA -0.494 61.596 62.100 -0.016 0.000 0.941 318 T CB 0.070 68.926 68.868 -0.020 0.000 1.026 318 T HN 0.034 nan 8.240 nan 0.000 0.533 319 G N 0.973 109.687 108.800 -0.144 0.000 2.444 319 G HA2 0.413 4.377 3.960 0.006 0.000 0.268 319 G HA3 0.413 4.377 3.960 0.006 0.000 0.268 319 G C -1.028 173.410 174.900 -0.769 0.000 1.203 319 G CA -0.458 44.310 45.100 -0.553 0.000 0.835 319 G HN 0.266 nan 8.290 nan 0.000 0.543 320 D N 1.167 121.136 120.400 -0.719 0.000 2.396 320 D HA 0.253 4.897 4.640 0.006 0.000 0.225 320 D C -0.386 175.549 176.300 -0.608 0.000 1.121 320 D CA -0.665 53.038 54.000 -0.494 0.000 0.853 320 D CB 0.579 41.228 40.800 -0.251 0.000 1.043 320 D HN 0.113 nan 8.370 nan 0.000 0.500 321 F N 2.054 122.008 119.950 0.007 0.000 2.772 321 F HA 0.213 4.744 4.527 0.006 0.000 0.302 321 F C 2.089 177.895 175.800 0.010 0.000 1.136 321 F CA -0.414 57.593 58.000 0.011 0.000 1.322 321 F CB 0.139 39.154 39.000 0.025 0.000 0.967 321 F HN 0.329 nan 8.300 nan 0.000 0.513 322 Q N 0.661 120.513 119.800 0.087 0.000 2.152 322 Q HA -0.238 4.106 4.340 0.006 0.000 0.206 322 Q C 0.947 176.986 176.000 0.065 0.000 0.985 322 Q CA 2.033 57.874 55.803 0.064 0.000 0.863 322 Q CB -0.341 28.408 28.738 0.019 0.000 0.904 322 Q HN 0.578 nan 8.270 nan 0.000 0.422 323 D N -0.670 119.765 120.400 0.057 0.000 2.325 323 D HA 0.093 4.736 4.640 0.006 0.000 0.234 323 D C -0.324 176.011 176.300 0.060 0.000 1.122 323 D CA 0.005 54.028 54.000 0.039 0.000 0.850 323 D CB 0.045 40.847 40.800 0.003 0.000 0.921 323 D HN -0.015 nan 8.370 nan 0.000 0.513 324 L N 0.605 121.893 121.223 0.108 0.000 2.325 324 L HA 0.412 4.756 4.340 0.006 0.000 0.281 324 L C -1.146 175.802 176.870 0.129 0.000 1.004 324 L CA -0.519 54.397 54.840 0.127 0.000 0.823 324 L CB 1.753 43.920 42.059 0.182 0.000 1.236 324 L HN -0.098 nan 8.230 nan 0.000 0.415 325 Q N 3.859 123.748 119.800 0.149 0.000 2.307 325 Q HA 0.748 5.092 4.340 0.006 0.000 0.262 325 Q C -1.369 174.872 176.000 0.402 0.000 0.961 325 Q CA -0.592 55.349 55.803 0.231 0.000 0.882 325 Q CB 2.518 31.341 28.738 0.142 0.000 1.264 325 Q HN 0.512 nan 8.270 nan 0.000 0.446 326 V N 2.528 122.664 119.914 0.371 0.000 2.789 326 V HA 0.500 4.624 4.120 0.006 0.000 0.311 326 V C -1.334 174.717 176.094 -0.072 0.000 1.073 326 V CA -0.966 61.471 62.300 0.229 0.000 0.921 326 V CB 2.018 33.882 31.823 0.069 0.000 1.009 326 V HN 0.545 nan 8.190 nan 0.000 0.426 327 L N 5.474 126.453 121.223 -0.407 0.000 2.333 327 L HA 0.902 5.246 4.340 0.006 0.000 0.280 327 L C -0.489 176.269 176.870 -0.186 0.000 1.004 327 L CA -0.285 54.230 54.840 -0.542 0.000 0.820 327 L CB 1.659 42.953 42.059 -1.275 0.000 1.247 327 L HN 0.689 nan 8.230 nan 0.000 0.416 328 V N 2.172 122.049 119.914 -0.062 0.000 2.962 328 V HA 1.135 5.259 4.120 0.006 0.000 0.313 328 V C -0.263 175.658 176.094 -0.287 0.000 1.099 328 V CA 0.279 62.534 62.300 -0.076 0.000 0.971 328 V CB 1.261 33.006 31.823 -0.131 0.000 1.028 328 V HN 1.103 nan 8.190 nan 0.000 0.430 329 G N 1.027 109.520 108.800 -0.511 0.000 2.427 329 G HA2 0.781 4.744 3.960 0.006 0.000 0.306 329 G HA3 0.781 4.744 3.960 0.006 0.000 0.306 329 G C -1.133 173.469 174.900 -0.497 0.000 1.280 329 G CA 0.162 44.605 45.100 -1.094 0.000 0.837 329 G HN 2.165 nan 8.290 nan 0.000 0.482 330 V N -2.424 117.311 119.914 -0.299 0.000 3.147 330 V HA 0.901 5.024 4.120 0.006 0.000 0.306 330 V C 0.138 176.432 176.094 0.333 0.000 1.209 330 V CA -0.295 62.064 62.300 0.099 0.000 1.023 330 V CB 1.077 32.932 31.823 0.053 0.000 1.059 330 V HN 1.988 nan 8.190 nan 0.000 0.435 331 V N 0.104 120.237 119.914 0.366 0.000 3.109 331 V HA 0.585 4.709 4.120 0.006 0.000 0.317 331 V C 1.384 177.678 176.094 0.333 0.000 1.074 331 V CA 0.130 62.700 62.300 0.449 0.000 1.033 331 V CB 1.307 33.409 31.823 0.464 0.000 1.111 331 V HN 1.111 nan 8.190 nan 0.000 0.458 332 K N 0.023 120.608 120.400 0.308 0.000 2.148 332 K HA -0.054 4.269 4.320 0.006 0.000 0.204 332 K C 0.052 176.773 176.600 0.202 0.000 1.050 332 K CA 1.968 58.387 56.287 0.219 0.000 0.942 332 K CB -0.027 32.572 32.500 0.165 0.000 0.724 332 K HN 0.958 nan 8.250 nan 0.000 0.446 333 D N 0.604 121.135 120.400 0.219 0.000 2.607 333 D HA 0.061 4.704 4.640 0.006 0.000 0.318 333 D C 0.027 176.471 176.300 0.239 0.000 1.212 333 D CA -0.198 53.922 54.000 0.201 0.000 0.861 333 D CB 1.297 42.190 40.800 0.156 0.000 1.064 333 D HN 0.034 nan 8.370 nan 0.000 0.500 334 E N 0.527 120.881 120.200 0.258 0.000 2.118 334 E HA -0.136 4.218 4.350 0.006 0.000 0.195 334 E C 2.084 178.876 176.600 0.321 0.000 0.992 334 E CA 0.985 57.574 56.400 0.314 0.000 0.804 334 E CB 0.024 29.878 29.700 0.257 0.000 0.741 334 E HN 0.525 nan 8.360 nan 0.000 0.458 335 G N 0.914 109.868 108.800 0.257 0.000 2.603 335 G HA2 -0.157 3.807 3.960 0.006 0.000 0.214 335 G HA3 -0.157 3.807 3.960 0.006 0.000 0.214 335 G C 1.726 176.812 174.900 0.310 0.000 1.140 335 G CA 0.781 46.049 45.100 0.281 0.000 0.800 335 G HN 0.357 nan 8.290 nan 0.000 0.533 336 S N 0.072 115.908 115.700 0.227 0.000 2.370 336 S HA -0.267 4.206 4.470 0.006 0.000 0.226 336 S C 2.085 176.708 174.600 0.038 0.000 1.033 336 S CA 1.333 59.628 58.200 0.159 0.000 1.011 336 S CB -0.859 62.344 63.200 0.006 0.000 0.852 336 S HN 0.456 nan 8.310 nan 0.000 0.457 337 Y N 1.484 121.660 120.300 -0.206 0.000 2.151 337 Y HA -0.189 4.364 4.550 0.006 0.000 0.284 337 Y C 1.840 177.562 175.900 -0.297 0.000 1.166 337 Y CA 1.940 59.746 58.100 -0.488 0.000 1.163 337 Y CB -0.379 37.680 38.460 -0.668 0.000 0.974 337 Y HN 0.280 nan 8.280 nan 0.000 0.511 338 F N -0.730 119.336 119.950 0.192 0.000 2.558 338 F HA -0.114 4.417 4.527 0.006 0.000 0.298 338 F C 1.855 177.731 175.800 0.126 0.000 1.119 338 F CA 0.659 58.752 58.000 0.154 0.000 1.451 338 F CB -0.372 38.613 39.000 -0.026 0.000 1.091 338 F HN 0.014 nan 8.300 nan 0.000 0.563 339 L N -0.111 121.214 121.223 0.171 0.000 2.201 339 L HA -0.123 4.221 4.340 0.006 0.000 0.212 339 L C 2.327 179.234 176.870 0.061 0.000 1.105 339 L CA 0.860 55.651 54.840 -0.082 0.000 0.775 339 L CB -0.764 40.990 42.059 -0.510 0.000 0.913 339 L HN 0.169 nan 8.230 nan 0.000 0.440 340 V N -4.931 115.085 119.914 0.170 0.000 3.461 340 V HA -0.137 3.986 4.120 0.006 0.000 0.267 340 V C 1.103 177.156 176.094 -0.068 0.000 1.186 340 V CA 0.688 63.071 62.300 0.138 0.000 1.154 340 V CB -1.074 30.848 31.823 0.165 0.000 0.802 340 V HN 0.301 nan 8.190 nan 0.000 0.474 341 Y N 1.605 121.966 120.300 0.103 0.000 2.746 341 Y HA 0.697 5.250 4.550 0.006 0.000 0.312 341 Y C 1.587 177.495 175.900 0.013 0.000 1.117 341 Y CA 0.291 58.418 58.100 0.044 0.000 1.324 341 Y CB 0.675 39.152 38.460 0.030 0.000 1.173 341 Y HN 0.375 nan 8.280 nan 0.000 0.529 342 G N -1.466 107.409 108.800 0.125 0.000 3.751 342 G HA2 -0.103 3.861 3.960 0.006 0.000 0.216 342 G HA3 -0.103 3.861 3.960 0.006 0.000 0.216 342 G C -0.643 174.311 174.900 0.091 0.000 0.911 342 G CA -0.481 44.672 45.100 0.088 0.000 0.869 342 G HN -0.048 nan 8.290 nan 0.000 0.462 343 V N 3.504 123.485 119.914 0.111 0.000 2.408 343 V HA 0.397 4.521 4.120 0.006 0.000 0.267 343 V C -1.895 174.366 176.094 0.278 0.000 1.047 343 V CA -1.371 61.027 62.300 0.163 0.000 0.937 343 V CB 1.060 32.923 31.823 0.066 0.000 0.999 343 V HN 0.098 nan 8.190 nan 0.000 0.472 344 P HA 0.283 nan 4.420 nan 0.000 0.266 344 P C 1.015 178.410 177.300 0.157 0.000 1.195 344 P CA 1.155 64.343 63.100 0.147 0.000 0.768 344 P CB 0.749 32.501 31.700 0.086 0.000 0.838 345 G N 0.966 109.792 108.800 0.044 0.000 2.259 345 G HA2 -0.205 3.759 3.960 0.006 0.000 0.217 345 G HA3 -0.205 3.759 3.960 0.006 0.000 0.217 345 G C -0.175 174.527 174.900 -0.329 0.000 1.001 345 G CA -0.581 44.417 45.100 -0.169 0.000 0.627 345 G HN 0.402 nan 8.290 nan 0.000 0.501 346 F N 1.515 121.459 119.950 -0.011 0.000 2.422 346 F HA 0.799 5.329 4.527 0.006 0.000 0.333 346 F C 0.623 176.478 175.800 0.092 0.000 1.095 346 F CA -0.060 57.944 58.000 0.006 0.000 1.038 346 F CB 2.270 41.311 39.000 0.068 0.000 1.156 346 F HN 0.160 nan 8.300 nan 0.000 0.483 347 S N 1.377 117.272 115.700 0.326 0.000 2.543 347 S HA 0.230 4.704 4.470 0.006 0.000 0.274 347 S C 0.234 175.083 174.600 0.415 0.000 1.149 347 S CA -0.897 57.488 58.200 0.308 0.000 0.866 347 S CB 1.289 64.588 63.200 0.165 0.000 1.111 347 S HN 0.782 nan 8.310 nan 0.000 0.457 348 K N 1.368 121.929 120.400 0.269 0.000 2.365 348 K HA 0.075 4.399 4.320 0.006 0.000 0.199 348 K C -0.079 176.539 176.600 0.030 0.000 1.045 348 K CA 1.215 57.572 56.287 0.117 0.000 0.962 348 K CB -0.080 32.245 32.500 -0.292 0.000 0.759 348 K HN 0.445 nan 8.250 nan 0.000 0.469 349 D N 0.953 121.361 120.400 0.015 0.000 2.369 349 D HA 0.035 4.679 4.640 0.006 0.000 0.211 349 D C -0.344 175.980 176.300 0.040 0.000 1.077 349 D CA 0.134 54.118 54.000 -0.026 0.000 0.842 349 D CB 0.200 40.960 40.800 -0.066 0.000 0.947 349 D HN 0.478 nan 8.370 nan 0.000 0.509 350 N N -1.084 117.678 118.700 0.104 0.000 3.157 350 N HA 0.102 4.846 4.740 0.006 0.000 0.291 350 N C 0.431 175.999 175.510 0.097 0.000 1.515 350 N CA -0.476 52.614 53.050 0.066 0.000 0.807 350 N CB 0.855 39.339 38.487 -0.006 0.000 1.672 350 N HN -0.437 nan 8.380 nan 0.000 0.592 351 E N -0.479 119.702 120.200 -0.031 0.000 2.482 351 E HA 0.053 4.406 4.350 0.006 0.000 0.196 351 E C -0.364 175.893 176.600 -0.571 0.000 1.047 351 E CA 0.379 56.689 56.400 -0.151 0.000 0.869 351 E CB -0.568 29.082 29.700 -0.084 0.000 0.836 351 E HN 0.588 nan 8.360 nan 0.000 0.520 352 S N 0.024 115.417 115.700 -0.513 0.000 3.698 352 S HA -0.182 4.292 4.470 0.006 0.000 0.338 352 S C 0.295 174.459 174.600 -0.726 0.000 1.089 352 S CA 0.125 57.872 58.200 -0.755 0.000 0.991 352 S CB -1.808 60.690 63.200 -1.170 0.000 0.909 352 S HN 0.308 nan 8.310 nan 0.000 0.485 353 L N 2.019 122.973 121.223 -0.449 0.000 2.515 353 L HA 0.285 4.629 4.340 0.006 0.000 0.281 353 L C 0.853 177.529 176.870 -0.324 0.000 1.131 353 L CA 0.142 54.785 54.840 -0.328 0.000 0.905 353 L CB -0.281 41.653 42.059 -0.208 0.000 1.246 353 L HN 0.444 nan 8.230 nan 0.000 0.463 354 I N 0.366 120.727 120.570 -0.348 0.000 2.918 354 I HA 0.586 4.760 4.170 0.006 0.000 0.316 354 I C 0.716 176.751 176.117 -0.137 0.000 1.001 354 I CA -0.602 60.532 61.300 -0.276 0.000 1.142 354 I CB 1.665 39.465 38.000 -0.332 0.000 1.356 354 I HN 0.497 nan 8.210 nan 0.000 0.524 355 S N 2.036 117.690 115.700 -0.078 0.000 2.707 355 S HA 0.386 4.859 4.470 0.006 0.000 0.276 355 S C 0.900 175.519 174.600 0.032 0.000 1.179 355 S CA -0.561 57.620 58.200 -0.031 0.000 0.992 355 S CB 1.563 64.751 63.200 -0.020 0.000 1.030 355 S HN 0.864 nan 8.310 nan 0.000 0.554 356 R N 0.128 120.651 120.500 0.038 0.000 2.092 356 R HA 0.003 4.347 4.340 0.006 0.000 0.231 356 R C 2.319 178.708 176.300 0.149 0.000 1.119 356 R CA 1.338 57.501 56.100 0.104 0.000 0.970 356 R CB -1.069 29.265 30.300 0.057 0.000 0.864 356 R HN 0.822 nan 8.270 nan 0.000 0.440 357 A N 0.676 123.548 122.820 0.086 0.000 1.908 357 A HA -0.221 4.103 4.320 0.006 0.000 0.218 357 A C 2.023 179.655 177.584 0.080 0.000 1.181 357 A CA 1.528 53.608 52.037 0.070 0.000 0.627 357 A CB -0.470 18.555 19.000 0.042 0.000 0.818 357 A HN 0.502 nan 8.150 nan 0.000 0.445 358 Q N -1.958 117.893 119.800 0.086 0.000 2.167 358 Q HA -0.090 4.254 4.340 0.006 0.000 0.202 358 Q C 1.844 177.958 176.000 0.191 0.000 0.970 358 Q CA 1.372 57.237 55.803 0.105 0.000 0.855 358 Q CB -0.248 28.522 28.738 0.053 0.000 0.911 358 Q HN 0.814 nan 8.270 nan 0.000 0.438 359 F N 0.972 120.955 119.950 0.055 0.000 2.113 359 F HA -0.210 4.321 4.527 0.006 0.000 0.297 359 F C 1.720 177.560 175.800 0.066 0.000 1.103 359 F CA 1.034 59.080 58.000 0.077 0.000 1.248 359 F CB 0.081 39.108 39.000 0.045 0.000 0.999 359 F HN -0.036 nan 8.300 nan 0.000 0.475 360 L N 0.303 121.490 121.223 -0.061 0.000 2.017 360 L HA -0.224 4.120 4.340 0.006 0.000 0.208 360 L C 2.909 179.712 176.870 -0.111 0.000 1.073 360 L CA 1.179 55.926 54.840 -0.156 0.000 0.745 360 L CB -1.568 40.479 42.059 -0.020 0.000 0.894 360 L HN 0.262 nan 8.230 nan 0.000 0.432 361 A N 0.818 123.623 122.820 -0.025 0.000 1.892 361 A HA -0.186 4.138 4.320 0.006 0.000 0.218 361 A C 2.437 180.017 177.584 -0.006 0.000 1.188 361 A CA 2.062 54.099 52.037 -0.000 0.000 0.631 361 A CB -1.427 17.595 19.000 0.036 0.000 0.822 361 A HN 0.461 nan 8.150 nan 0.000 0.447 362 G N -0.816 107.992 108.800 0.013 0.000 2.422 362 G HA2 -0.113 3.850 3.960 0.006 0.000 0.218 362 G HA3 -0.113 3.850 3.960 0.006 0.000 0.218 362 G C 1.475 176.334 174.900 -0.068 0.000 1.146 362 G CA 1.220 46.331 45.100 0.018 0.000 0.769 362 G HN 0.357 nan 8.290 nan 0.000 0.547 363 V N 0.793 120.597 119.914 -0.183 0.000 2.490 363 V HA -0.119 4.005 4.120 0.006 0.000 0.250 363 V C 2.967 179.002 176.094 -0.099 0.000 1.061 363 V CA 1.520 63.702 62.300 -0.197 0.000 1.064 363 V CB -0.389 31.226 31.823 -0.346 0.000 0.670 363 V HN 0.190 nan 8.190 nan 0.000 0.461 364 R N 0.015 120.470 120.500 -0.075 0.000 2.092 364 R HA 0.027 4.370 4.340 0.006 0.000 0.231 364 R C 2.038 178.325 176.300 -0.023 0.000 1.119 364 R CA 1.395 57.472 56.100 -0.038 0.000 0.970 364 R CB -0.814 29.472 30.300 -0.024 0.000 0.864 364 R HN 0.483 nan 8.270 nan 0.000 0.440 365 I N -0.653 119.905 120.570 -0.019 0.000 2.406 365 I HA -0.059 4.114 4.170 0.006 0.000 0.249 365 I C 2.173 178.282 176.117 -0.012 0.000 1.122 365 I CA 1.350 62.646 61.300 -0.007 0.000 1.431 365 I CB -0.394 37.610 38.000 0.007 0.000 1.087 365 I HN 0.181 nan 8.210 nan 0.000 0.424 366 G N 0.268 109.053 108.800 -0.024 0.000 2.551 366 G HA2 0.025 3.989 3.960 0.006 0.000 0.216 366 G HA3 0.025 3.989 3.960 0.006 0.000 0.216 366 G C 0.774 175.669 174.900 -0.008 0.000 1.137 366 G CA 0.318 45.406 45.100 -0.020 0.000 0.798 366 G HN 0.235 nan 8.290 nan 0.000 0.536 367 V N 1.299 121.193 119.914 -0.032 0.000 2.405 367 V HA 0.218 4.342 4.120 0.006 0.000 0.253 367 V C -1.840 174.244 176.094 -0.015 0.000 0.963 367 V CA -1.002 61.255 62.300 -0.071 0.000 1.003 367 V CB 1.590 33.351 31.823 -0.104 0.000 1.251 367 V HN -0.000 nan 8.190 nan 0.000 0.520 368 P HA -0.057 nan 4.420 nan 0.000 0.221 368 P C 1.243 178.548 177.300 0.009 0.000 1.150 368 P CA 0.891 63.996 63.100 0.008 0.000 0.800 368 P CB 0.384 32.088 31.700 0.007 0.000 0.787 369 Q N -0.787 119.028 119.800 0.024 0.000 2.403 369 Q HA 0.257 4.600 4.340 0.006 0.000 0.203 369 Q C 0.592 176.595 176.000 0.006 0.000 0.932 369 Q CA -0.074 55.739 55.803 0.017 0.000 0.945 369 Q CB -0.500 28.257 28.738 0.032 0.000 1.045 369 Q HN 0.118 nan 8.270 nan 0.000 0.511 370 A N 0.708 123.528 122.820 -0.000 0.000 2.401 370 A HA 0.463 4.787 4.320 0.006 0.000 0.259 370 A C 0.450 178.027 177.584 -0.011 0.000 1.103 370 A CA -0.405 51.625 52.037 -0.011 0.000 0.789 370 A CB 0.255 19.247 19.000 -0.014 0.000 1.035 370 A HN 0.356 nan 8.150 nan 0.000 0.491 371 S N 1.923 117.613 115.700 -0.017 0.000 2.612 371 S HA 0.050 4.524 4.470 0.006 0.000 0.253 371 S C 0.357 174.955 174.600 -0.002 0.000 1.346 371 S CA 0.357 58.550 58.200 -0.012 0.000 0.976 371 S CB 0.240 63.430 63.200 -0.018 0.000 0.949 371 S HN 0.635 nan 8.310 nan 0.000 0.584 372 D N -0.052 120.350 120.400 0.003 0.000 2.144 372 D HA -0.039 4.605 4.640 0.006 0.000 0.200 372 D C 1.736 178.050 176.300 0.024 0.000 0.978 372 D CA 0.729 54.736 54.000 0.012 0.000 0.833 372 D CB -0.458 40.350 40.800 0.013 0.000 0.961 372 D HN 0.393 nan 8.370 nan 0.000 0.470 373 L N 0.792 122.029 121.223 0.024 0.000 2.027 373 L HA 0.003 4.347 4.340 0.006 0.000 0.206 373 L C 2.078 178.984 176.870 0.061 0.000 1.074 373 L CA 1.628 56.495 54.840 0.044 0.000 0.745 373 L CB -0.842 41.238 42.059 0.035 0.000 0.898 373 L HN -0.019 nan 8.230 nan 0.000 0.433 374 A N -0.401 122.435 122.820 0.027 0.000 1.908 374 A HA -0.139 4.184 4.320 0.006 0.000 0.218 374 A C 2.450 180.064 177.584 0.050 0.000 1.181 374 A CA 1.911 53.959 52.037 0.018 0.000 0.627 374 A CB -1.216 17.758 19.000 -0.043 0.000 0.818 374 A HN 0.572 nan 8.150 nan 0.000 0.445 375 A N -0.603 122.236 122.820 0.031 0.000 1.933 375 A HA -0.146 4.178 4.320 0.006 0.000 0.218 375 A C 1.985 179.599 177.584 0.051 0.000 1.175 375 A CA 2.158 54.209 52.037 0.023 0.000 0.628 375 A CB -0.402 18.596 19.000 -0.004 0.000 0.814 375 A HN 0.513 nan 8.150 nan 0.000 0.444 376 E N 0.036 120.280 120.200 0.074 0.000 2.158 376 E HA 0.074 4.428 4.350 0.006 0.000 0.191 376 E C 2.011 178.706 176.600 0.158 0.000 0.982 376 E CA 1.188 57.651 56.400 0.104 0.000 0.823 376 E CB -0.455 29.301 29.700 0.095 0.000 0.766 376 E HN 0.445 nan 8.360 nan 0.000 0.468 377 A N 0.101 123.034 122.820 0.190 0.000 1.908 377 A HA -0.181 4.143 4.320 0.006 0.000 0.218 377 A C 2.457 180.204 177.584 0.271 0.000 1.181 377 A CA 1.780 53.985 52.037 0.281 0.000 0.627 377 A CB -0.832 18.426 19.000 0.430 0.000 0.818 377 A HN 0.200 nan 8.150 nan 0.000 0.445 378 V N -0.613 119.458 119.914 0.263 0.000 2.307 378 V HA -0.215 3.909 4.120 0.006 0.000 0.245 378 V C 2.574 178.831 176.094 0.271 0.000 1.045 378 V CA 1.929 64.362 62.300 0.222 0.000 1.024 378 V CB -0.684 31.231 31.823 0.153 0.000 0.651 378 V HN 0.374 nan 8.190 nan 0.000 0.449 379 V N -0.208 119.815 119.914 0.183 0.000 2.407 379 V HA -0.257 3.866 4.120 0.006 0.000 0.248 379 V C 2.260 178.569 176.094 0.358 0.000 1.055 379 V CA 1.939 64.391 62.300 0.252 0.000 1.049 379 V CB -0.481 31.415 31.823 0.122 0.000 0.662 379 V HN 0.444 nan 8.190 nan 0.000 0.455 380 L N -0.903 120.514 121.223 0.324 0.000 2.109 380 L HA -0.158 4.186 4.340 0.006 0.000 0.207 380 L C 2.542 179.622 176.870 0.351 0.000 1.086 380 L CA 1.796 56.904 54.840 0.445 0.000 0.760 380 L CB -0.710 41.546 42.059 0.328 0.000 0.910 380 L HN 0.427 nan 8.230 nan 0.000 0.437 381 H N -0.890 118.184 119.070 0.007 0.000 2.389 381 H HA -0.190 4.369 4.556 0.005 0.000 0.299 381 H C 1.677 176.882 175.328 -0.204 0.000 1.081 381 H CA 1.860 57.749 56.048 -0.265 0.000 1.345 381 H CB 0.084 29.318 29.762 -0.879 0.000 1.393 381 H HN 0.246 nan 8.280 nan 0.000 0.520 382 Y N -0.186 120.157 120.300 0.072 0.000 2.482 382 Y HA 0.140 4.695 4.550 0.007 0.000 0.270 382 Y C 0.680 176.545 175.900 -0.059 0.000 1.152 382 Y CA 0.210 58.362 58.100 0.087 0.000 1.292 382 Y CB 0.394 39.051 38.460 0.328 0.000 1.070 382 Y HN 0.034 nan 8.280 nan 0.000 0.528 383 T N 1.180 115.706 114.554 -0.047 0.000 2.901 383 T HA -0.043 4.310 4.350 0.006 0.000 0.301 383 T C -0.268 174.124 174.700 -0.513 0.000 1.012 383 T CA -0.281 61.535 62.100 -0.472 0.000 1.135 383 T CB 0.415 68.638 68.868 -1.075 0.000 0.936 383 T HN 0.039 nan 8.240 nan 0.000 0.539 384 D N 1.808 121.976 120.400 -0.387 0.000 2.393 384 D HA 0.112 4.756 4.640 0.006 0.000 0.232 384 D C -0.002 176.128 176.300 -0.282 0.000 1.192 384 D CA -0.702 53.191 54.000 -0.179 0.000 0.882 384 D CB 0.306 41.175 40.800 0.116 0.000 1.038 384 D HN 0.603 nan 8.370 nan 0.000 0.499 385 W N 3.072 124.350 121.300 -0.037 0.000 2.825 385 W HA 0.080 4.743 4.660 0.004 0.000 0.243 385 W C 1.960 178.408 176.519 -0.119 0.000 1.293 385 W CA -0.246 57.062 57.345 -0.063 0.000 1.403 385 W CB 0.076 29.501 29.460 -0.058 0.000 1.134 385 W HN 0.424 nan 8.180 nan 0.000 0.666 386 L N -1.060 120.136 121.223 -0.045 0.000 2.341 386 L HA -0.033 4.311 4.340 0.006 0.000 0.214 386 L C 0.054 176.521 176.870 -0.673 0.000 1.115 386 L CA 1.039 55.679 54.840 -0.332 0.000 0.820 386 L CB -0.116 41.701 42.059 -0.404 0.000 0.944 386 L HN 0.030 nan 8.230 nan 0.000 0.452 387 H N -2.102 116.894 119.070 -0.123 0.000 2.695 387 H HA 0.152 4.711 4.556 0.005 0.000 0.222 387 H C -1.978 173.194 175.328 -0.260 0.000 1.412 387 H CA -1.028 54.882 56.048 -0.230 0.000 1.347 387 H CB 0.343 29.836 29.762 -0.449 0.000 1.858 387 H HN -0.058 nan 8.280 nan 0.000 0.519 388 P HA -0.059 nan 4.420 nan 0.000 0.241 388 P C 0.561 177.745 177.300 -0.193 0.000 1.191 388 P CA 0.879 63.815 63.100 -0.272 0.000 0.771 388 P CB 0.643 32.176 31.700 -0.278 0.000 0.929 389 E N -0.553 119.572 120.200 -0.124 0.000 2.583 389 E HA 0.078 4.432 4.350 0.006 0.000 0.213 389 E C -0.357 176.178 176.600 -0.108 0.000 0.989 389 E CA -0.083 56.261 56.400 -0.094 0.000 0.991 389 E CB 0.217 29.884 29.700 -0.055 0.000 1.040 389 E HN 0.244 nan 8.360 nan 0.000 0.481 390 D N 2.800 123.113 120.400 -0.146 0.000 2.325 390 D HA 0.039 4.683 4.640 0.006 0.000 0.251 390 D C -1.308 174.917 176.300 -0.126 0.000 1.196 390 D CA -1.933 51.966 54.000 -0.169 0.000 0.866 390 D CB 1.390 41.983 40.800 -0.345 0.000 1.101 390 D HN -0.158 nan 8.370 nan 0.000 0.476 391 P HA -0.113 nan 4.420 nan 0.000 0.221 391 P C 1.063 178.301 177.300 -0.104 0.000 1.150 391 P CA 0.835 63.865 63.100 -0.116 0.000 0.800 391 P CB 0.275 31.901 31.700 -0.123 0.000 0.787 392 T N -0.934 113.588 114.554 -0.054 0.000 2.737 392 T HA -0.129 4.225 4.350 0.006 0.000 0.265 392 T C 1.751 176.477 174.700 0.043 0.000 1.038 392 T CA 1.154 63.249 62.100 -0.008 0.000 1.144 392 T CB -0.970 67.920 68.868 0.037 0.000 0.866 392 T HN 0.347 nan 8.240 nan 0.000 0.434 393 H N 0.544 119.542 119.070 -0.120 0.000 2.387 393 H HA 0.036 4.596 4.556 0.007 0.000 0.299 393 H C 2.285 177.501 175.328 -0.187 0.000 1.090 393 H CA 0.926 56.899 56.048 -0.125 0.000 1.332 393 H CB -0.120 29.561 29.762 -0.134 0.000 1.386 393 H HN 0.252 nan 8.280 nan 0.000 0.516 394 L N 0.235 121.388 121.223 -0.118 0.000 2.056 394 L HA -0.150 4.194 4.340 0.006 0.000 0.207 394 L C 2.834 179.628 176.870 -0.127 0.000 1.078 394 L CA 0.855 55.501 54.840 -0.323 0.000 0.749 394 L CB -0.311 41.584 42.059 -0.273 0.000 0.901 394 L HN 0.171 nan 8.230 nan 0.000 0.433 395 R N 0.325 120.804 120.500 -0.035 0.000 2.083 395 R HA -0.191 4.153 4.340 0.006 0.000 0.237 395 R C 1.715 178.125 176.300 0.184 0.000 1.137 395 R CA 2.076 58.231 56.100 0.093 0.000 0.951 395 R CB -0.153 30.077 30.300 -0.117 0.000 0.851 395 R HN 0.333 nan 8.270 nan 0.000 0.434 396 D N 0.005 120.464 120.400 0.097 0.000 2.234 396 D HA -0.045 4.599 4.640 0.006 0.000 0.205 396 D C 1.635 178.018 176.300 0.139 0.000 0.962 396 D CA 1.173 55.253 54.000 0.134 0.000 0.855 396 D CB -0.081 40.759 40.800 0.067 0.000 0.951 396 D HN 0.379 nan 8.370 nan 0.000 0.500 397 A N 0.645 123.513 122.820 0.081 0.000 1.969 397 A HA -0.127 4.197 4.320 0.006 0.000 0.218 397 A C 2.108 179.835 177.584 0.238 0.000 1.169 397 A CA 1.170 53.300 52.037 0.155 0.000 0.635 397 A CB -0.368 18.608 19.000 -0.039 0.000 0.810 397 A HN 0.123 nan 8.150 nan 0.000 0.445 398 M N -0.165 119.619 119.600 0.308 0.000 2.099 398 M HA -0.075 4.409 4.480 0.006 0.000 0.262 398 M C 2.301 178.683 176.300 0.135 0.000 1.067 398 M CA 2.106 57.606 55.300 0.333 0.000 1.124 398 M CB -0.642 32.210 32.600 0.419 0.000 1.353 398 M HN 0.379 nan 8.290 nan 0.000 0.410 399 S N -0.237 115.559 115.700 0.161 0.000 2.359 399 S HA -0.147 4.327 4.470 0.006 0.000 0.224 399 S C 2.059 176.743 174.600 0.140 0.000 1.035 399 S CA 1.754 60.052 58.200 0.163 0.000 1.018 399 S CB -0.667 62.688 63.200 0.259 0.000 0.876 399 S HN 0.637 nan 8.310 nan 0.000 0.448 400 A N 0.694 123.611 122.820 0.163 0.000 1.933 400 A HA 0.002 4.325 4.320 0.006 0.000 0.218 400 A C 2.355 179.996 177.584 0.094 0.000 1.175 400 A CA 1.734 53.892 52.037 0.202 0.000 0.628 400 A CB -1.050 18.165 19.000 0.360 0.000 0.814 400 A HN 0.458 nan 8.150 nan 0.000 0.444 401 V N -0.427 119.399 119.914 -0.147 0.000 2.233 401 V HA -0.264 3.859 4.120 0.006 0.000 0.247 401 V C 2.597 178.628 176.094 -0.104 0.000 1.050 401 V CA 2.201 64.345 62.300 -0.261 0.000 1.010 401 V CB -0.829 30.844 31.823 -0.250 0.000 0.637 401 V HN 0.383 nan 8.190 nan 0.000 0.444 402 V N 0.682 120.557 119.914 -0.065 0.000 2.295 402 V HA -0.198 3.926 4.120 0.006 0.000 0.246 402 V C 2.620 178.625 176.094 -0.148 0.000 1.049 402 V CA 2.282 64.533 62.300 -0.082 0.000 1.024 402 V CB -1.433 30.387 31.823 -0.004 0.000 0.648 402 V HN 0.631 nan 8.190 nan 0.000 0.447 403 G N -0.475 108.303 108.800 -0.037 0.000 2.418 403 G HA2 -0.242 3.722 3.960 0.006 0.000 0.217 403 G HA3 -0.242 3.722 3.960 0.006 0.000 0.217 403 G C 1.244 176.080 174.900 -0.105 0.000 1.158 403 G CA 1.070 46.157 45.100 -0.021 0.000 0.771 403 G HN 0.509 nan 8.290 nan 0.000 0.545 404 D N -0.444 119.902 120.400 -0.090 0.000 2.123 404 D HA -0.052 4.592 4.640 0.006 0.000 0.200 404 D C 2.098 178.094 176.300 -0.508 0.000 0.976 404 D CA 1.133 55.050 54.000 -0.139 0.000 0.831 404 D CB -0.434 40.448 40.800 0.137 0.000 0.974 404 D HN 0.402 nan 8.370 nan 0.000 0.469 405 H N 0.937 119.429 119.070 -0.963 0.000 2.353 405 H HA 0.032 4.591 4.556 0.005 0.000 0.300 405 H C 1.457 176.387 175.328 -0.663 0.000 1.090 405 H CA 1.667 56.964 56.048 -1.251 0.000 1.327 405 H CB 0.060 29.013 29.762 -1.348 0.000 1.383 405 H HN -0.011 nan 8.280 nan 0.000 0.508 406 N N -0.810 117.446 118.700 -0.740 0.000 2.405 406 N HA 0.009 4.753 4.740 0.006 0.000 0.175 406 N C 1.130 176.388 175.510 -0.422 0.000 1.051 406 N CA 1.039 53.591 53.050 -0.831 0.000 0.899 406 N CB 1.155 38.598 38.487 -1.739 0.000 1.000 406 N HN 0.278 nan 8.380 nan 0.000 0.451 407 V N -0.578 119.158 119.914 -0.297 0.000 3.278 407 V HA 0.057 4.181 4.120 0.006 0.000 0.215 407 V C 2.136 178.194 176.094 -0.060 0.000 1.287 407 V CA 0.178 62.443 62.300 -0.060 0.000 1.302 407 V CB -0.075 31.788 31.823 0.068 0.000 1.228 407 V HN -0.182 nan 8.190 nan 0.000 0.523 408 V N 0.039 119.916 119.914 -0.062 0.000 2.295 408 V HA -0.275 3.849 4.120 0.006 0.000 0.246 408 V C 2.465 178.525 176.094 -0.057 0.000 1.049 408 V CA 2.554 64.832 62.300 -0.036 0.000 1.024 408 V CB -0.736 31.094 31.823 0.011 0.000 0.648 408 V HN 0.667 nan 8.190 nan 0.000 0.447 409 c N -0.599 117.952 118.600 -0.082 0.000 2.475 409 c HA 0.042 4.616 4.570 0.006 0.000 0.279 409 c C 0.528 174.583 174.090 -0.059 0.000 1.322 409 c CA 0.650 56.959 56.329 -0.034 0.000 1.734 409 c CB -1.631 40.887 42.510 0.014 0.000 2.005 409 c HN 0.452 nan 8.230 nan 0.000 0.495 410 P HA -0.086 nan 4.420 nan 0.000 0.216 410 P C 1.757 178.994 177.300 -0.105 0.000 1.150 410 P CA 1.399 64.428 63.100 -0.119 0.000 0.837 410 P CB -0.119 31.483 31.700 -0.164 0.000 0.786 411 V N 0.065 119.920 119.914 -0.099 0.000 2.307 411 V HA -0.258 3.866 4.120 0.006 0.000 0.245 411 V C 2.447 178.443 176.094 -0.163 0.000 1.045 411 V CA 2.239 64.465 62.300 -0.123 0.000 1.024 411 V CB -1.712 30.041 31.823 -0.118 0.000 0.651 411 V HN 0.097 nan 8.190 nan 0.000 0.449 412 A N -0.216 122.522 122.820 -0.137 0.000 1.873 412 A HA -0.383 3.940 4.320 0.006 0.000 0.218 412 A C 2.250 179.787 177.584 -0.079 0.000 1.193 412 A CA 2.604 54.567 52.037 -0.124 0.000 0.629 412 A CB -0.791 18.190 19.000 -0.031 0.000 0.826 412 A HN 0.660 nan 8.150 nan 0.000 0.447 413 Q N -0.866 118.910 119.800 -0.040 0.000 2.047 413 Q HA -0.270 4.074 4.340 0.006 0.000 0.211 413 Q C 1.950 177.918 176.000 -0.053 0.000 1.005 413 Q CA 2.379 58.165 55.803 -0.028 0.000 0.866 413 Q CB -0.448 28.288 28.738 -0.004 0.000 0.938 413 Q HN 0.511 nan 8.270 nan 0.000 0.414 414 L N 0.579 121.744 121.223 -0.096 0.000 1.989 414 L HA -0.136 4.208 4.340 0.006 0.000 0.211 414 L C 2.384 179.169 176.870 -0.141 0.000 1.071 414 L CA 2.467 57.234 54.840 -0.121 0.000 0.749 414 L CB -1.112 40.863 42.059 -0.139 0.000 0.890 414 L HN 0.385 nan 8.230 nan 0.000 0.431 415 A N -0.739 121.956 122.820 -0.208 0.000 1.908 415 A HA -0.115 4.209 4.320 0.006 0.000 0.218 415 A C 2.321 179.846 177.584 -0.097 0.000 1.181 415 A CA 1.743 53.595 52.037 -0.308 0.000 0.627 415 A CB -1.570 16.984 19.000 -0.744 0.000 0.818 415 A HN 0.559 nan 8.150 nan 0.000 0.445 416 G N -0.839 107.973 108.800 0.020 0.000 2.404 416 G HA2 -0.162 3.802 3.960 0.006 0.000 0.215 416 G HA3 -0.162 3.802 3.960 0.006 0.000 0.215 416 G C 1.661 176.632 174.900 0.118 0.000 1.174 416 G CA 0.662 45.883 45.100 0.201 0.000 0.780 416 G HN 0.379 nan 8.290 nan 0.000 0.537 417 R N 0.345 120.881 120.500 0.059 0.000 2.081 417 R HA 0.067 4.411 4.340 0.006 0.000 0.235 417 R C 2.647 179.003 176.300 0.092 0.000 1.131 417 R CA 0.629 56.773 56.100 0.074 0.000 0.960 417 R CB -1.214 29.120 30.300 0.057 0.000 0.856 417 R HN 0.404 nan 8.270 nan 0.000 0.436 418 L N 0.166 121.385 121.223 -0.007 0.000 2.017 418 L HA -0.123 4.220 4.340 0.006 0.000 0.208 418 L C 2.645 179.564 176.870 0.082 0.000 1.073 418 L CA 1.474 56.284 54.840 -0.050 0.000 0.745 418 L CB -0.749 41.189 42.059 -0.201 0.000 0.894 418 L HN 0.149 nan 8.230 nan 0.000 0.432 419 A N 0.140 123.018 122.820 0.096 0.000 1.908 419 A HA -0.205 4.119 4.320 0.006 0.000 0.218 419 A C 2.502 180.152 177.584 0.110 0.000 1.181 419 A CA 1.857 53.968 52.037 0.125 0.000 0.627 419 A CB -0.779 18.349 19.000 0.214 0.000 0.818 419 A HN 0.419 nan 8.150 nan 0.000 0.445 420 A N -1.346 121.543 122.820 0.116 0.000 2.019 420 A HA -0.118 4.206 4.320 0.006 0.000 0.219 420 A C 1.805 179.450 177.584 0.101 0.000 1.164 420 A CA 1.596 53.690 52.037 0.095 0.000 0.644 420 A CB -0.278 18.777 19.000 0.091 0.000 0.805 420 A HN 0.619 nan 8.150 nan 0.000 0.449 421 Q N -1.959 117.932 119.800 0.152 0.000 2.186 421 Q HA 0.401 4.745 4.340 0.006 0.000 0.241 421 Q C 0.824 176.928 176.000 0.174 0.000 0.849 421 Q CA 0.385 56.288 55.803 0.165 0.000 1.053 421 Q CB 0.619 29.508 28.738 0.251 0.000 1.146 421 Q HN 0.751 nan 8.270 nan 0.000 0.475 422 G N -0.104 108.776 108.800 0.134 0.000 2.232 422 G HA2 -0.273 3.691 3.960 0.006 0.000 0.226 422 G HA3 -0.273 3.691 3.960 0.006 0.000 0.226 422 G C 0.384 175.354 174.900 0.118 0.000 0.996 422 G CA -0.289 44.875 45.100 0.106 0.000 0.626 422 G HN 0.548 nan 8.290 nan 0.000 0.509 423 A N 0.290 123.205 122.820 0.159 0.000 2.498 423 A HA 0.607 4.930 4.320 0.006 0.000 0.239 423 A C 0.700 178.323 177.584 0.065 0.000 1.068 423 A CA 1.016 53.125 52.037 0.119 0.000 0.766 423 A CB 0.157 19.204 19.000 0.078 0.000 1.003 423 A HN 1.007 nan 8.150 nan 0.000 0.497 424 R N 2.067 122.601 120.500 0.056 0.000 2.210 424 R HA 0.467 4.811 4.340 0.006 0.000 0.338 424 R C -1.225 175.060 176.300 -0.025 0.000 1.062 424 R CA -0.073 56.026 56.100 -0.002 0.000 0.902 424 R CB 0.201 30.524 30.300 0.039 0.000 1.050 424 R HN 0.461 nan 8.270 nan 0.000 0.461 425 V N 5.460 125.299 119.914 -0.125 0.000 2.628 425 V HA 0.447 4.571 4.120 0.006 0.000 0.306 425 V C -0.956 174.962 176.094 -0.293 0.000 1.045 425 V CA -0.802 61.438 62.300 -0.100 0.000 0.905 425 V CB 1.581 33.403 31.823 -0.002 0.000 0.997 425 V HN 0.642 nan 8.190 nan 0.000 0.436 426 Y N 1.661 121.925 120.300 -0.060 0.000 2.391 426 Y HA 0.764 5.316 4.550 0.004 0.000 0.341 426 Y C 0.231 176.210 175.900 0.131 0.000 0.965 426 Y CA -0.506 57.552 58.100 -0.070 0.000 1.067 426 Y CB 2.245 40.320 38.460 -0.641 0.000 1.199 426 Y HN 0.792 nan 8.280 nan 0.000 0.450 427 A N 3.338 126.521 122.820 0.604 0.000 2.374 427 A HA 0.868 5.192 4.320 0.006 0.000 0.317 427 A C -1.780 176.181 177.584 0.629 0.000 1.094 427 A CA -0.679 51.597 52.037 0.400 0.000 0.765 427 A CB 0.949 20.023 19.000 0.122 0.000 1.268 427 A HN 0.746 nan 8.150 nan 0.000 0.438 428 Y N -0.486 120.052 120.300 0.397 0.000 2.638 428 Y HA 0.818 5.371 4.550 0.004 0.000 0.339 428 Y C -1.004 175.079 175.900 0.304 0.000 1.084 428 Y CA -1.618 56.664 58.100 0.303 0.000 1.068 428 Y CB 1.382 39.998 38.460 0.260 0.000 1.294 428 Y HN 0.673 nan 8.280 nan 0.000 0.480 429 I N 2.601 123.480 120.570 0.515 0.000 2.498 429 I HA 0.465 4.638 4.170 0.006 0.000 0.290 429 I C -1.856 174.597 176.117 0.561 0.000 1.032 429 I CA -1.084 60.492 61.300 0.459 0.000 1.073 429 I CB 1.324 39.542 38.000 0.362 0.000 1.251 429 I HN 0.740 nan 8.210 nan 0.000 0.426 430 F N 7.262 127.492 119.950 0.467 0.000 2.405 430 F HA 0.428 4.958 4.527 0.007 0.000 0.355 430 F C 0.314 176.269 175.800 0.258 0.000 1.121 430 F CA 0.021 58.243 58.000 0.369 0.000 1.112 430 F CB 0.928 40.168 39.000 0.401 0.000 1.126 430 F HN 0.534 nan 8.300 nan 0.000 0.481 431 E N 3.480 123.498 120.200 -0.304 0.000 2.758 431 E HA -0.002 4.351 4.350 0.006 0.000 0.215 431 E C -0.971 175.433 176.600 -0.327 0.000 0.985 431 E CA -0.226 56.064 56.400 -0.183 0.000 1.102 431 E CB 0.264 29.924 29.700 -0.067 0.000 1.042 431 E HN 0.529 nan 8.360 nan 0.000 0.480 432 H N 1.701 120.275 119.070 -0.825 0.000 2.552 432 H HA 0.231 4.790 4.556 0.005 0.000 0.311 432 H C -0.328 174.875 175.328 -0.208 0.000 1.071 432 H CA -0.620 55.065 56.048 -0.605 0.000 1.307 432 H CB 0.596 29.802 29.762 -0.926 0.000 1.416 432 H HN -0.101 nan 8.280 nan 0.000 0.464 433 R N 4.412 124.528 120.500 -0.639 0.000 2.216 433 R HA 0.476 4.820 4.340 0.006 0.000 0.332 433 R C -0.586 175.420 176.300 -0.490 0.000 1.056 433 R CA -0.558 55.337 56.100 -0.343 0.000 0.901 433 R CB 0.251 30.444 30.300 -0.178 0.000 1.039 433 R HN 0.777 nan 8.270 nan 0.000 0.456 434 A N 3.331 126.179 122.820 0.045 0.000 2.565 434 A HA -0.009 4.315 4.320 0.006 0.000 0.237 434 A C 1.300 178.973 177.584 0.149 0.000 1.053 434 A CA 0.525 52.798 52.037 0.393 0.000 0.755 434 A CB 0.268 19.652 19.000 0.640 0.000 0.980 434 A HN 1.023 nan 8.150 nan 0.000 0.506 435 S N 1.158 116.982 115.700 0.207 0.000 2.474 435 S HA -0.118 4.355 4.470 0.006 0.000 0.235 435 S C 1.221 175.805 174.600 -0.027 0.000 0.997 435 S CA 1.378 59.625 58.200 0.078 0.000 0.949 435 S CB -0.636 62.641 63.200 0.127 0.000 0.766 435 S HN 1.245 nan 8.310 nan 0.000 0.517 436 T N -0.837 113.660 114.554 -0.095 0.000 3.105 436 T HA 0.389 4.743 4.350 0.006 0.000 0.253 436 T C 0.262 174.884 174.700 -0.130 0.000 1.047 436 T CA -0.615 61.366 62.100 -0.198 0.000 0.944 436 T CB -0.283 68.313 68.868 -0.454 0.000 1.016 436 T HN 0.184 nan 8.240 nan 0.000 0.544 437 L N 4.015 125.204 121.223 -0.056 0.000 2.416 437 L HA 0.349 4.692 4.340 0.006 0.000 0.272 437 L C 1.442 178.251 176.870 -0.101 0.000 1.161 437 L CA 0.577 55.383 54.840 -0.057 0.000 0.845 437 L CB 0.976 43.008 42.059 -0.045 0.000 1.119 437 L HN 0.453 nan 8.230 nan 0.000 0.464 438 T N -0.897 113.548 114.554 -0.182 0.000 3.022 438 T HA 0.101 4.455 4.350 0.006 0.000 0.250 438 T C 0.394 175.028 174.700 -0.111 0.000 1.060 438 T CA -0.429 61.545 62.100 -0.210 0.000 1.013 438 T CB -0.282 68.328 68.868 -0.430 0.000 0.982 438 T HN 0.382 nan 8.240 nan 0.000 0.508 439 W N 3.512 124.765 121.300 -0.077 0.000 2.150 439 W HA 0.402 5.066 4.660 0.007 0.000 0.341 439 W C -1.993 174.398 176.519 -0.212 0.000 1.276 439 W CA -2.127 55.144 57.345 -0.125 0.000 1.238 439 W CB 0.169 29.456 29.460 -0.288 0.000 1.128 439 W HN -0.025 nan 8.180 nan 0.000 0.581 440 P HA 0.039 nan 4.420 nan 0.000 0.274 440 P C 0.468 177.670 177.300 -0.164 0.000 1.246 440 P CA -0.041 63.004 63.100 -0.091 0.000 0.795 440 P CB 0.914 32.559 31.700 -0.091 0.000 1.006 441 L N 0.282 121.479 121.223 -0.044 0.000 2.127 441 L HA -0.136 4.208 4.340 0.006 0.000 0.211 441 L C 2.614 179.493 176.870 0.016 0.000 1.089 441 L CA 1.424 56.257 54.840 -0.012 0.000 0.757 441 L CB -0.955 41.129 42.059 0.041 0.000 0.899 441 L HN 0.605 nan 8.230 nan 0.000 0.434 442 W N -0.424 120.901 121.300 0.042 0.000 2.387 442 W HA -0.187 4.476 4.660 0.005 0.000 0.272 442 W C 1.712 178.266 176.519 0.058 0.000 1.224 442 W CA 0.618 57.992 57.345 0.049 0.000 1.210 442 W CB -0.787 28.707 29.460 0.056 0.000 1.125 442 W HN 0.193 nan 8.180 nan 0.000 0.572 443 M N 1.325 120.598 119.600 -0.544 0.000 2.619 443 M HA 0.125 4.608 4.480 0.006 0.000 0.251 443 M C 1.759 177.950 176.300 -0.183 0.000 1.106 443 M CA 1.430 56.378 55.300 -0.586 0.000 1.086 443 M CB -0.640 31.432 32.600 -0.881 0.000 1.465 443 M HN 0.217 nan 8.290 nan 0.000 0.506 444 G N 0.717 109.469 108.800 -0.080 0.000 2.561 444 G HA2 -0.285 3.678 3.960 0.006 0.000 0.289 444 G HA3 -0.285 3.678 3.960 0.006 0.000 0.289 444 G C -0.151 174.745 174.900 -0.006 0.000 1.169 444 G CA -0.177 44.922 45.100 -0.002 0.000 0.980 444 G HN 0.233 nan 8.290 nan 0.000 0.550 445 V N 3.671 123.627 119.914 0.070 0.000 2.257 445 V HA 0.478 4.602 4.120 0.006 0.000 0.269 445 V C -1.856 174.372 176.094 0.223 0.000 1.040 445 V CA -0.729 61.665 62.300 0.157 0.000 0.813 445 V CB 1.125 33.075 31.823 0.210 0.000 1.065 445 V HN 0.558 nan 8.190 nan 0.000 0.457 446 P HA 0.221 nan 4.420 nan 0.000 0.276 446 P C -0.242 177.330 177.300 0.454 0.000 1.261 446 P CA -0.585 62.658 63.100 0.238 0.000 0.800 446 P CB 0.442 32.160 31.700 0.030 0.000 1.066 447 H N 0.375 119.600 119.070 0.260 0.000 3.167 447 H HA 0.231 4.790 4.556 0.005 0.000 0.306 447 H C 1.597 176.972 175.328 0.077 0.000 0.965 447 H CA 2.424 58.566 56.048 0.157 0.000 1.408 447 H CB -0.689 29.106 29.762 0.054 0.000 1.406 447 H HN 0.767 nan 8.280 nan 0.000 0.576 448 G N 3.465 112.115 108.800 -0.250 0.000 2.199 448 G HA2 -0.329 3.634 3.960 0.006 0.000 0.254 448 G HA3 -0.329 3.634 3.960 0.006 0.000 0.254 448 G C 0.547 175.399 174.900 -0.080 0.000 0.982 448 G CA 0.477 45.408 45.100 -0.280 0.000 0.632 448 G HN 0.661 nan 8.290 nan 0.000 0.529 449 Y N 1.186 121.634 120.300 0.246 0.000 2.532 449 Y HA 0.263 4.816 4.550 0.005 0.000 0.283 449 Y C 2.223 178.301 175.900 0.297 0.000 1.181 449 Y CA 0.784 59.094 58.100 0.350 0.000 1.256 449 Y CB 0.484 39.183 38.460 0.399 0.000 1.112 449 Y HN 0.484 nan 8.280 nan 0.000 0.521 450 E N 0.003 120.201 120.200 -0.004 0.000 2.415 450 E HA -0.033 4.321 4.350 0.006 0.000 0.197 450 E C 1.541 178.034 176.600 -0.179 0.000 1.007 450 E CA 0.599 56.636 56.400 -0.605 0.000 0.890 450 E CB -0.328 28.639 29.700 -1.221 0.000 0.891 450 E HN 0.533 nan 8.360 nan 0.000 0.496 451 I N 2.802 123.362 120.570 -0.017 0.000 2.179 451 I HA -0.278 3.895 4.170 0.006 0.000 0.242 451 I C 2.689 178.801 176.117 -0.009 0.000 1.088 451 I CA 1.987 63.306 61.300 0.033 0.000 1.357 451 I CB -0.445 37.643 38.000 0.147 0.000 1.051 451 I HN 0.197 nan 8.210 nan 0.000 0.409 452 E N 1.078 121.228 120.200 -0.083 0.000 2.267 452 E HA -0.238 4.116 4.350 0.006 0.000 0.197 452 E C 1.971 178.313 176.600 -0.431 0.000 0.998 452 E CA 1.490 57.732 56.400 -0.263 0.000 0.830 452 E CB -0.485 29.038 29.700 -0.295 0.000 0.751 452 E HN 0.454 nan 8.360 nan 0.000 0.491 453 F N 1.270 121.108 119.950 -0.186 0.000 2.234 453 F HA 0.036 4.569 4.527 0.009 0.000 0.296 453 F C 2.356 177.918 175.800 -0.397 0.000 1.089 453 F CA 0.516 58.348 58.000 -0.280 0.000 1.343 453 F CB -0.048 38.853 39.000 -0.165 0.000 1.040 453 F HN -0.033 nan 8.300 nan 0.000 0.498 454 I N -1.091 119.308 120.570 -0.286 0.000 2.252 454 I HA -0.262 3.912 4.170 0.006 0.000 0.245 454 I C 2.053 177.911 176.117 -0.432 0.000 1.102 454 I CA 1.695 62.666 61.300 -0.549 0.000 1.385 454 I CB -1.141 36.380 38.000 -0.798 0.000 1.064 454 I HN 0.095 nan 8.210 nan 0.000 0.414 455 F N 1.105 120.855 119.950 -0.334 0.000 2.661 455 F HA 0.135 4.666 4.527 0.006 0.000 0.298 455 F C 1.882 177.527 175.800 -0.259 0.000 1.137 455 F CA 1.005 58.851 58.000 -0.256 0.000 1.454 455 F CB -0.190 38.641 39.000 -0.282 0.000 1.103 455 F HN 0.295 nan 8.300 nan 0.000 0.577 456 G N -0.247 108.382 108.800 -0.285 0.000 2.131 456 G HA2 -0.274 3.690 3.960 0.006 0.000 0.223 456 G HA3 -0.274 3.690 3.960 0.006 0.000 0.223 456 G C 0.926 175.195 174.900 -1.052 0.000 0.990 456 G CA 0.239 45.030 45.100 -0.516 0.000 0.671 456 G HN 0.256 nan 8.290 nan 0.000 0.521 457 L N 0.522 121.186 121.223 -0.932 0.000 2.081 457 L HA 0.009 4.353 4.340 0.006 0.000 0.212 457 L C 0.475 176.792 176.870 -0.921 0.000 1.080 457 L CA 2.810 57.062 54.840 -0.980 0.000 0.754 457 L CB -1.029 40.710 42.059 -0.532 0.000 0.893 457 L HN 0.229 nan 8.230 nan 0.000 0.433 458 P HA -0.151 nan 4.420 nan 0.000 0.221 458 P C 1.654 178.696 177.300 -0.431 0.000 1.145 458 P CA 0.849 63.365 63.100 -0.973 0.000 0.795 458 P CB 0.041 31.170 31.700 -0.952 0.000 0.775 459 L N -1.019 119.912 121.223 -0.488 0.000 2.265 459 L HA -0.074 4.270 4.340 0.006 0.000 0.215 459 L C 0.943 177.742 176.870 -0.119 0.000 1.117 459 L CA 1.249 55.932 54.840 -0.262 0.000 0.782 459 L CB -1.386 40.533 42.059 -0.233 0.000 0.914 459 L HN -0.024 nan 8.230 nan 0.000 0.441 460 D N -0.225 120.080 120.400 -0.159 0.000 2.352 460 D HA 0.082 4.725 4.640 0.006 0.000 0.245 460 D C -1.651 174.669 176.300 0.033 0.000 1.224 460 D CA -2.038 51.987 54.000 0.043 0.000 0.879 460 D CB 1.402 42.266 40.800 0.107 0.000 1.057 460 D HN -0.014 nan 8.370 nan 0.000 0.491 461 P HA -0.119 nan 4.420 nan 0.000 0.220 461 P C 1.299 178.619 177.300 0.032 0.000 1.148 461 P CA 0.803 63.924 63.100 0.036 0.000 0.803 461 P CB 0.072 31.788 31.700 0.027 0.000 0.782 462 S N -0.781 114.936 115.700 0.029 0.000 2.493 462 S HA -0.101 4.372 4.470 0.006 0.000 0.243 462 S C 1.619 176.219 174.600 0.000 0.000 0.991 462 S CA 0.928 59.135 58.200 0.011 0.000 0.957 462 S CB -1.424 61.782 63.200 0.010 0.000 0.756 462 S HN 0.136 nan 8.310 nan 0.000 0.521 463 L N 0.400 121.639 121.223 0.027 0.000 2.567 463 L HA 0.215 4.558 4.340 0.006 0.000 0.225 463 L C 0.327 177.153 176.870 -0.073 0.000 1.119 463 L CA -0.017 54.827 54.840 0.006 0.000 0.871 463 L CB -0.629 41.509 42.059 0.131 0.000 1.036 463 L HN 0.229 nan 8.230 nan 0.000 0.459 464 N N -1.654 117.036 118.700 -0.017 0.000 2.782 464 N HA -0.223 4.520 4.740 0.006 0.000 0.251 464 N C -0.329 175.137 175.510 -0.074 0.000 1.101 464 N CA 0.826 53.843 53.050 -0.056 0.000 0.764 464 N CB -1.827 36.595 38.487 -0.107 0.000 1.122 464 N HN 0.303 nan 8.380 nan 0.000 0.561 465 Y N 1.075 121.359 120.300 -0.026 0.000 2.330 465 Y HA 0.149 4.703 4.550 0.006 0.000 0.341 465 Y C 2.027 177.946 175.900 0.032 0.000 1.278 465 Y CA 0.377 58.486 58.100 0.015 0.000 1.453 465 Y CB 0.386 38.846 38.460 -0.000 0.000 1.342 465 Y HN 0.083 nan 8.280 nan 0.000 0.590 466 T N -2.846 111.855 114.554 0.246 0.000 2.828 466 T HA 0.054 4.408 4.350 0.006 0.000 0.290 466 T C 1.097 175.875 174.700 0.131 0.000 1.019 466 T CA -0.326 61.864 62.100 0.150 0.000 1.031 466 T CB 0.899 69.847 68.868 0.132 0.000 1.001 466 T HN 0.716 nan 8.240 nan 0.000 0.531 467 T N 1.285 115.887 114.554 0.080 0.000 2.746 467 T HA -0.091 4.263 4.350 0.006 0.000 0.267 467 T C 1.817 176.550 174.700 0.055 0.000 1.039 467 T CA 1.834 63.967 62.100 0.055 0.000 1.142 467 T CB -0.440 68.449 68.868 0.036 0.000 0.866 467 T HN 0.760 nan 8.240 nan 0.000 0.444 468 E N 1.296 121.527 120.200 0.052 0.000 2.085 468 E HA -0.118 4.235 4.350 0.006 0.000 0.194 468 E C 2.237 178.875 176.600 0.062 0.000 0.994 468 E CA 1.108 57.526 56.400 0.029 0.000 0.801 468 E CB -0.218 29.476 29.700 -0.010 0.000 0.743 468 E HN 0.576 nan 8.360 nan 0.000 0.453 469 E N 0.202 120.477 120.200 0.125 0.000 2.110 469 E HA -0.164 4.189 4.350 0.006 0.000 0.193 469 E C 2.136 178.865 176.600 0.214 0.000 0.988 469 E CA 0.477 57.038 56.400 0.269 0.000 0.804 469 E CB -0.022 29.956 29.700 0.463 0.000 0.745 469 E HN 0.061 nan 8.360 nan 0.000 0.458 470 R N 0.934 121.487 120.500 0.088 0.000 2.083 470 R HA -0.166 4.177 4.340 0.006 0.000 0.237 470 R C 2.141 178.446 176.300 0.009 0.000 1.137 470 R CA 1.147 57.244 56.100 -0.006 0.000 0.951 470 R CB -0.226 30.067 30.300 -0.013 0.000 0.851 470 R HN 0.161 nan 8.270 nan 0.000 0.434 471 I N 0.578 121.174 120.570 0.043 0.000 2.208 471 I HA -0.274 3.899 4.170 0.006 0.000 0.245 471 I C 2.343 178.501 176.117 0.068 0.000 1.097 471 I CA 1.036 62.359 61.300 0.037 0.000 1.363 471 I CB -1.441 36.583 38.000 0.040 0.000 1.051 471 I HN 0.103 nan 8.210 nan 0.000 0.413 472 F N 2.115 122.033 119.950 -0.054 0.000 2.134 472 F HA -0.127 4.403 4.527 0.005 0.000 0.299 472 F C 2.472 178.269 175.800 -0.006 0.000 1.097 472 F CA 1.345 59.307 58.000 -0.062 0.000 1.264 472 F CB -0.509 38.400 39.000 -0.152 0.000 1.001 472 F HN 0.033 nan 8.300 nan 0.000 0.479 473 A N 0.148 122.920 122.820 -0.080 0.000 1.908 473 A HA -0.254 4.070 4.320 0.006 0.000 0.218 473 A C 2.173 179.623 177.584 -0.223 0.000 1.181 473 A CA 1.925 53.849 52.037 -0.188 0.000 0.627 473 A CB -0.948 17.951 19.000 -0.169 0.000 0.818 473 A HN 0.606 nan 8.150 nan 0.000 0.445 474 Q N -0.910 118.798 119.800 -0.153 0.000 2.124 474 Q HA -0.168 4.176 4.340 0.006 0.000 0.202 474 Q C 2.379 178.272 176.000 -0.178 0.000 0.977 474 Q CA 1.459 57.179 55.803 -0.137 0.000 0.850 474 Q CB -0.170 28.517 28.738 -0.086 0.000 0.901 474 Q HN 0.620 nan 8.270 nan 0.000 0.429 475 R N 0.269 120.645 120.500 -0.207 0.000 2.083 475 R HA -0.128 4.216 4.340 0.006 0.000 0.237 475 R C 2.314 178.335 176.300 -0.464 0.000 1.137 475 R CA 1.245 57.136 56.100 -0.349 0.000 0.951 475 R CB -0.293 29.865 30.300 -0.236 0.000 0.851 475 R HN 0.248 nan 8.270 nan 0.000 0.434 476 L N -0.008 121.029 121.223 -0.310 0.000 2.056 476 L HA -0.181 4.163 4.340 0.006 0.000 0.207 476 L C 2.519 179.350 176.870 -0.065 0.000 1.078 476 L CA 1.343 56.103 54.840 -0.133 0.000 0.749 476 L CB -0.368 41.453 42.059 -0.398 0.000 0.901 476 L HN 0.254 nan 8.230 nan 0.000 0.433 477 M N -0.554 118.940 119.600 -0.178 0.000 2.149 477 M HA -0.221 4.263 4.480 0.006 0.000 0.261 477 M C 2.250 178.542 176.300 -0.013 0.000 1.064 477 M CA 1.721 56.950 55.300 -0.118 0.000 1.102 477 M CB -0.351 32.163 32.600 -0.143 0.000 1.369 477 M HN 0.109 nan 8.290 nan 0.000 0.408 478 K N -0.479 119.880 120.400 -0.069 0.000 2.057 478 K HA -0.135 4.189 4.320 0.006 0.000 0.206 478 K C 1.923 178.573 176.600 0.082 0.000 1.050 478 K CA 1.381 57.641 56.287 -0.045 0.000 0.935 478 K CB -0.188 32.230 32.500 -0.138 0.000 0.715 478 K HN 0.248 nan 8.250 nan 0.000 0.439 479 Y N 0.011 120.427 120.300 0.194 0.000 2.128 479 Y HA -0.243 4.312 4.550 0.009 0.000 0.284 479 Y C 2.225 178.237 175.900 0.186 0.000 1.154 479 Y CA 0.785 59.023 58.100 0.230 0.000 1.149 479 Y CB -0.757 37.975 38.460 0.453 0.000 0.976 479 Y HN 0.235 nan 8.280 nan 0.000 0.505 480 W N 0.570 121.937 121.300 0.112 0.000 2.358 480 W HA -0.214 4.449 4.660 0.005 0.000 0.303 480 W C 2.407 178.919 176.519 -0.012 0.000 1.208 480 W CA 2.232 59.580 57.345 0.006 0.000 1.274 480 W CB -0.516 28.877 29.460 -0.111 0.000 1.138 480 W HN 0.244 nan 8.180 nan 0.000 0.515 481 T N -2.536 112.117 114.554 0.166 0.000 2.978 481 T HA -0.099 4.254 4.350 0.006 0.000 0.262 481 T C 1.425 176.145 174.700 0.033 0.000 1.063 481 T CA 0.970 63.102 62.100 0.053 0.000 1.140 481 T CB -0.576 68.304 68.868 0.020 0.000 0.886 481 T HN -0.096 nan 8.240 nan 0.000 0.470 482 N N 1.090 119.825 118.700 0.060 0.000 2.104 482 N HA -0.030 4.714 4.740 0.006 0.000 0.190 482 N C 1.379 176.880 175.510 -0.016 0.000 1.024 482 N CA 1.107 54.173 53.050 0.026 0.000 0.853 482 N CB -0.686 37.836 38.487 0.060 0.000 1.008 482 N HN 0.465 nan 8.380 nan 0.000 0.424 483 F N 1.799 121.656 119.950 -0.155 0.000 2.075 483 F HA -0.107 4.423 4.527 0.006 0.000 0.297 483 F C 2.240 177.954 175.800 -0.142 0.000 1.113 483 F CA 1.454 59.314 58.000 -0.233 0.000 1.218 483 F CB -0.674 38.096 39.000 -0.384 0.000 0.984 483 F HN 0.044 nan 8.300 nan 0.000 0.472 484 A N 0.754 123.481 122.820 -0.154 0.000 1.903 484 A HA -0.284 4.040 4.320 0.006 0.000 0.219 484 A C 2.410 179.878 177.584 -0.193 0.000 1.191 484 A CA 2.273 54.205 52.037 -0.174 0.000 0.638 484 A CB -0.931 18.034 19.000 -0.058 0.000 0.823 484 A HN 0.502 nan 8.150 nan 0.000 0.451 485 R N -1.584 118.835 120.500 -0.136 0.000 2.066 485 R HA -0.080 4.263 4.340 0.006 0.000 0.232 485 R C 2.132 178.348 176.300 -0.140 0.000 1.131 485 R CA 1.913 57.948 56.100 -0.108 0.000 0.955 485 R CB -0.228 30.035 30.300 -0.062 0.000 0.851 485 R HN 0.773 nan 8.270 nan 0.000 0.432 486 T N -5.565 108.884 114.554 -0.176 0.000 2.986 486 T HA 0.229 4.583 4.350 0.006 0.000 0.264 486 T C 1.114 175.695 174.700 -0.199 0.000 0.964 486 T CA 0.435 62.447 62.100 -0.147 0.000 0.895 486 T CB 1.353 70.170 68.868 -0.086 0.000 1.163 486 T HN 0.336 nan 8.240 nan 0.000 0.517 487 G N 1.408 109.972 108.800 -0.394 0.000 2.136 487 G HA2 -0.154 3.809 3.960 0.006 0.000 0.242 487 G HA3 -0.154 3.809 3.960 0.006 0.000 0.242 487 G C -0.371 174.462 174.900 -0.113 0.000 0.989 487 G CA 0.202 45.015 45.100 -0.477 0.000 0.682 487 G HN 0.848 nan 8.290 nan 0.000 0.522 488 D N -0.826 119.500 120.400 -0.123 0.000 2.890 488 D HA 0.445 5.089 4.640 0.006 0.000 0.233 488 D C -1.721 174.430 176.300 -0.248 0.000 1.306 488 D CA -1.572 52.319 54.000 -0.183 0.000 0.929 488 D CB 1.986 42.766 40.800 -0.034 0.000 1.512 488 D HN -0.020 nan 8.370 nan 0.000 0.568 489 P HA 0.025 nan 4.420 nan 0.000 0.241 489 P C -0.053 177.260 177.300 0.022 0.000 1.191 489 P CA 0.024 62.956 63.100 -0.280 0.000 0.771 489 P CB 0.342 31.607 31.700 -0.726 0.000 0.929 490 N N 1.323 120.008 118.700 -0.025 0.000 2.503 490 N HA 0.067 4.810 4.740 0.006 0.000 0.267 490 N C -0.226 175.346 175.510 0.103 0.000 1.214 490 N CA 0.159 53.284 53.050 0.126 0.000 0.959 490 N CB 0.494 39.049 38.487 0.113 0.000 1.142 490 N HN -0.031 nan 8.380 nan 0.000 0.455 491 D N 0.695 121.170 120.400 0.125 0.000 2.277 491 D HA 0.232 4.876 4.640 0.006 0.000 0.249 491 D C -1.558 174.783 176.300 0.067 0.000 1.134 491 D CA -1.805 52.243 54.000 0.079 0.000 0.863 491 D CB 1.309 42.152 40.800 0.072 0.000 1.143 491 D HN 0.218 nan 8.370 nan 0.000 0.458 492 P HA -0.087 nan 4.420 nan 0.000 0.217 492 P C 1.084 178.409 177.300 0.041 0.000 1.151 492 P CA 1.024 64.150 63.100 0.043 0.000 0.828 492 P CB 0.115 31.833 31.700 0.030 0.000 0.788 493 R N -0.034 120.488 120.500 0.037 0.000 2.075 493 R HA -0.001 4.343 4.340 0.006 0.000 0.226 493 R C 0.697 177.020 176.300 0.038 0.000 1.114 493 R CA 0.905 57.024 56.100 0.033 0.000 0.972 493 R CB -1.486 28.829 30.300 0.026 0.000 0.869 493 R HN 0.037 nan 8.270 nan 0.000 0.437 494 D N 1.973 122.400 120.400 0.045 0.000 2.367 494 D HA -0.005 4.639 4.640 0.006 0.000 0.255 494 D C 0.634 176.972 176.300 0.063 0.000 1.300 494 D CA 0.007 54.037 54.000 0.051 0.000 0.959 494 D CB 1.092 41.925 40.800 0.055 0.000 1.064 494 D HN 0.359 nan 8.370 nan 0.000 0.509 495 S N 2.176 117.909 115.700 0.054 0.000 2.486 495 S HA -0.018 4.456 4.470 0.006 0.000 0.220 495 S C 2.135 176.770 174.600 0.059 0.000 1.011 495 S CA 0.469 58.704 58.200 0.058 0.000 0.921 495 S CB -0.134 63.095 63.200 0.048 0.000 0.785 495 S HN 0.396 nan 8.310 nan 0.000 0.517 496 K N 1.983 122.415 120.400 0.052 0.000 2.057 496 K HA 0.178 4.502 4.320 0.006 0.000 0.207 496 K C 1.358 177.993 176.600 0.059 0.000 1.049 496 K CA 1.468 57.784 56.287 0.048 0.000 0.931 496 K CB -1.378 31.146 32.500 0.040 0.000 0.714 496 K HN 0.490 nan 8.250 nan 0.000 0.440 497 S N 1.696 117.439 115.700 0.072 0.000 2.568 497 S HA 0.263 4.737 4.470 0.006 0.000 0.282 497 S C -2.215 172.446 174.600 0.102 0.000 1.338 497 S CA -0.895 57.361 58.200 0.092 0.000 1.045 497 S CB 0.972 64.243 63.200 0.119 0.000 0.873 497 S HN 0.510 nan 8.310 nan 0.000 0.516 498 P HA 0.091 nan 4.420 nan 0.000 0.269 498 P C -0.779 176.603 177.300 0.138 0.000 1.209 498 P CA -0.295 62.863 63.100 0.097 0.000 0.776 498 P CB 0.449 32.190 31.700 0.069 0.000 0.876 499 Q N 0.998 120.881 119.800 0.139 0.000 2.230 499 Q HA 0.186 4.530 4.340 0.006 0.000 0.248 499 Q C -0.631 175.518 176.000 0.248 0.000 0.915 499 Q CA -0.117 55.802 55.803 0.192 0.000 0.900 499 Q CB 1.416 30.254 28.738 0.166 0.000 1.229 499 Q HN 0.574 nan 8.270 nan 0.000 0.439 500 W N 6.241 127.582 121.300 0.068 0.000 2.342 500 W HA 0.326 4.990 4.660 0.006 0.000 0.310 500 W C -2.480 174.173 176.519 0.223 0.000 1.128 500 W CA -2.423 54.974 57.345 0.087 0.000 1.322 500 W CB 0.501 29.941 29.460 -0.034 0.000 1.251 500 W HN 0.373 nan 8.180 nan 0.000 0.439 501 P HA 0.336 nan 4.420 nan 0.000 0.284 501 P C -2.655 174.842 177.300 0.328 0.000 1.258 501 P CA -1.910 61.412 63.100 0.370 0.000 0.824 501 P CB 1.074 32.906 31.700 0.219 0.000 1.038 502 P HA 0.072 nan 4.420 nan 0.000 0.269 502 P C -0.613 176.678 177.300 -0.015 0.000 1.209 502 P CA 0.027 62.926 63.100 -0.334 0.000 0.776 502 P CB 0.061 31.510 31.700 -0.419 0.000 0.876 503 Y N 2.716 122.966 120.300 -0.084 0.000 2.465 503 Y HA 0.282 4.839 4.550 0.012 0.000 0.331 503 Y C 0.456 176.347 175.900 -0.016 0.000 1.102 503 Y CA 0.704 58.816 58.100 0.021 0.000 1.358 503 Y CB 0.134 38.622 38.460 0.047 0.000 1.213 503 Y HN 0.394 nan 8.280 nan 0.000 0.525 504 T N 0.293 114.607 114.554 -0.400 0.000 2.916 504 T HA 0.246 4.600 4.350 0.006 0.000 0.292 504 T C 0.999 175.437 174.700 -0.436 0.000 1.055 504 T CA -0.205 61.735 62.100 -0.266 0.000 1.009 504 T CB 1.330 70.111 68.868 -0.145 0.000 1.118 504 T HN 0.659 nan 8.240 nan 0.000 0.497 505 T N -0.599 113.855 114.554 -0.166 0.000 2.788 505 T HA -0.045 4.309 4.350 0.006 0.000 0.268 505 T C 2.285 176.921 174.700 -0.106 0.000 1.044 505 T CA 1.111 63.150 62.100 -0.102 0.000 1.139 505 T CB -0.937 67.936 68.868 0.008 0.000 0.867 505 T HN 0.864 nan 8.240 nan 0.000 0.454 506 A N 1.888 124.656 122.820 -0.087 0.000 1.858 506 A HA 0.371 4.695 4.320 0.006 0.000 0.216 506 A C 2.701 180.241 177.584 -0.073 0.000 1.190 506 A CA 2.054 54.056 52.037 -0.058 0.000 0.617 506 A CB -1.243 17.734 19.000 -0.038 0.000 0.827 506 A HN 0.845 nan 8.150 nan 0.000 0.443 507 A N -2.814 119.938 122.820 -0.113 0.000 2.140 507 A HA 0.310 4.634 4.320 0.006 0.000 0.209 507 A C 0.978 178.485 177.584 -0.128 0.000 1.181 507 A CA 0.878 52.861 52.037 -0.089 0.000 0.824 507 A CB -0.120 18.844 19.000 -0.059 0.000 0.879 507 A HN 0.529 nan 8.150 nan 0.000 0.480 508 Q N -0.383 119.219 119.800 -0.330 0.000 2.481 508 Q HA -0.227 4.116 4.340 0.006 0.000 0.272 508 Q C -0.627 175.349 176.000 -0.040 0.000 1.157 508 Q CA 0.758 56.285 55.803 -0.460 0.000 0.935 508 Q CB -1.790 26.878 28.738 -0.116 0.000 1.338 508 Q HN 0.845 nan 8.270 nan 0.000 0.494 509 Q N 0.168 119.963 119.800 -0.008 0.000 2.340 509 Q HA 0.491 4.834 4.340 0.006 0.000 0.249 509 Q C -0.357 175.924 176.000 0.468 0.000 0.957 509 Q CA 0.096 56.017 55.803 0.197 0.000 0.882 509 Q CB 0.594 29.395 28.738 0.106 0.000 1.235 509 Q HN 0.328 nan 8.270 nan 0.000 0.439 510 Y N -2.182 118.242 120.300 0.206 0.000 2.656 510 Y HA 0.653 5.213 4.550 0.017 0.000 0.334 510 Y C -1.369 174.548 175.900 0.027 0.000 1.179 510 Y CA -1.554 56.672 58.100 0.210 0.000 1.050 510 Y CB 0.475 39.072 38.460 0.228 0.000 1.308 510 Y HN 0.361 nan 8.280 nan 0.000 0.456 511 V N -0.137 119.699 119.914 -0.129 0.000 2.667 511 V HA 0.835 4.959 4.120 0.006 0.000 0.308 511 V C -0.176 175.812 176.094 -0.176 0.000 1.048 511 V CA -0.559 61.509 62.300 -0.387 0.000 0.928 511 V CB 1.251 32.567 31.823 -0.846 0.000 1.004 511 V HN 1.168 nan 8.190 nan 0.000 0.444 512 S N 4.303 119.907 115.700 -0.161 0.000 2.523 512 S HA 0.651 5.125 4.470 0.006 0.000 0.275 512 S C -0.374 174.208 174.600 -0.030 0.000 1.281 512 S CA -0.652 57.533 58.200 -0.025 0.000 1.050 512 S CB 0.486 63.662 63.200 -0.041 0.000 0.937 512 S HN 0.735 nan 8.310 nan 0.000 0.492 513 L N 4.285 125.555 121.223 0.078 0.000 2.259 513 L HA 0.482 4.825 4.340 0.006 0.000 0.288 513 L C -0.171 176.697 176.870 -0.004 0.000 1.051 513 L CA -0.419 54.513 54.840 0.154 0.000 0.824 513 L CB -0.230 42.035 42.059 0.343 0.000 1.206 513 L HN 0.905 nan 8.230 nan 0.000 0.429 514 N N 2.029 120.669 118.700 -0.101 0.000 3.344 514 N HA 0.315 5.059 4.740 0.006 0.000 0.296 514 N C 0.238 175.294 175.510 -0.756 0.000 1.571 514 N CA -0.993 51.715 53.050 -0.570 0.000 0.844 514 N CB 0.646 38.921 38.487 -0.352 0.000 1.718 514 N HN 0.194 nan 8.380 nan 0.000 0.589 515 L N -0.993 119.722 121.223 -0.847 0.000 2.353 515 L HA -0.017 4.327 4.340 0.006 0.000 0.220 515 L C 0.327 177.046 176.870 -0.251 0.000 1.133 515 L CA 1.113 55.591 54.840 -0.603 0.000 0.798 515 L CB -0.642 41.134 42.059 -0.472 0.000 0.922 515 L HN 0.408 nan 8.230 nan 0.000 0.445 516 K N -0.096 120.192 120.400 -0.187 0.000 2.087 516 K HA 0.365 4.689 4.320 0.006 0.000 0.255 516 K C -2.246 174.337 176.600 -0.028 0.000 0.988 516 K CA -2.074 54.162 56.287 -0.086 0.000 0.915 516 K CB 0.135 32.589 32.500 -0.077 0.000 1.043 516 K HN -0.248 nan 8.250 nan 0.000 0.457 517 P HA -0.048 nan 4.420 nan 0.000 0.268 517 P C -0.376 176.940 177.300 0.026 0.000 1.208 517 P CA -0.108 63.017 63.100 0.041 0.000 0.777 517 P CB 0.369 32.090 31.700 0.036 0.000 0.875 518 L N 1.562 122.816 121.223 0.052 0.000 2.640 518 L HA -0.076 4.268 4.340 0.006 0.000 0.280 518 L C 1.128 177.969 176.870 -0.048 0.000 1.229 518 L CA 0.845 55.673 54.840 -0.021 0.000 0.919 518 L CB -0.269 41.769 42.059 -0.034 0.000 1.168 518 L HN 0.504 nan 8.230 nan 0.000 0.496 519 E N 3.465 123.609 120.200 -0.093 0.000 2.176 519 E HA 0.362 4.716 4.350 0.006 0.000 0.267 519 E C -1.198 175.304 176.600 -0.163 0.000 0.893 519 E CA -0.797 55.543 56.400 -0.099 0.000 0.761 519 E CB 1.769 31.416 29.700 -0.087 0.000 1.133 519 E HN 0.309 nan 8.360 nan 0.000 0.409 520 V N 5.080 124.912 119.914 -0.137 0.000 2.530 520 V HA 0.336 4.460 4.120 0.006 0.000 0.282 520 V C 0.438 176.392 176.094 -0.234 0.000 1.048 520 V CA -0.012 62.185 62.300 -0.171 0.000 0.997 520 V CB 0.901 32.682 31.823 -0.069 0.000 0.987 520 V HN 0.715 nan 8.190 nan 0.000 0.477 521 R N 3.664 123.901 120.500 -0.440 0.000 2.888 521 R HA 0.721 5.065 4.340 0.006 0.000 0.266 521 R C -0.825 175.284 176.300 -0.319 0.000 1.020 521 R CA -1.039 54.782 56.100 -0.467 0.000 0.963 521 R CB 2.362 32.194 30.300 -0.779 0.000 1.197 521 R HN 0.580 nan 8.270 nan 0.000 0.481 522 R N 0.031 120.515 120.500 -0.027 0.000 2.534 522 R HA 0.456 4.799 4.340 0.006 0.000 0.301 522 R C -0.830 175.659 176.300 0.314 0.000 0.961 522 R CA -0.459 55.734 56.100 0.154 0.000 0.871 522 R CB 2.170 32.513 30.300 0.071 0.000 1.170 522 R HN 0.902 nan 8.270 nan 0.000 0.446 523 G N 2.513 111.539 108.800 0.376 0.000 3.421 523 G HA2 -0.217 3.747 3.960 0.006 0.000 0.656 523 G HA3 -0.217 3.747 3.960 0.006 0.000 0.656 523 G C -0.922 174.141 174.900 0.272 0.000 1.007 523 G CA -0.827 44.442 45.100 0.283 0.000 0.811 523 G HN 0.434 nan 8.290 nan 0.000 0.433 524 L N 3.624 124.888 121.223 0.069 0.000 2.375 524 L HA 0.648 4.992 4.340 0.006 0.000 0.276 524 L C 1.313 178.175 176.870 -0.013 0.000 1.162 524 L CA 0.233 54.940 54.840 -0.222 0.000 0.991 524 L CB -0.526 41.285 42.059 -0.414 0.000 1.315 524 L HN 0.928 nan 8.230 nan 0.000 0.431 525 R N 2.772 123.312 120.500 0.067 0.000 3.423 525 R HA -0.263 4.080 4.340 0.006 0.000 0.271 525 R C 1.236 177.623 176.300 0.144 0.000 1.093 525 R CA 0.643 56.814 56.100 0.119 0.000 0.730 525 R CB -1.254 29.120 30.300 0.124 0.000 1.190 525 R HN 0.833 nan 8.270 nan 0.000 0.437 526 A N 0.222 123.125 122.820 0.138 0.000 1.892 526 A HA -0.263 4.060 4.320 0.006 0.000 0.218 526 A C 1.842 179.515 177.584 0.148 0.000 1.188 526 A CA 1.537 53.657 52.037 0.139 0.000 0.631 526 A CB -0.234 18.843 19.000 0.127 0.000 0.822 526 A HN 0.563 nan 8.150 nan 0.000 0.447 527 Q N -0.807 119.080 119.800 0.144 0.000 2.020 527 Q HA -0.096 4.248 4.340 0.006 0.000 0.198 527 Q C 2.291 178.414 176.000 0.205 0.000 0.974 527 Q CA 2.038 57.932 55.803 0.151 0.000 0.829 527 Q CB -1.269 27.541 28.738 0.120 0.000 0.894 527 Q HN 0.642 nan 8.270 nan 0.000 0.433 528 T N 0.840 115.538 114.554 0.240 0.000 2.759 528 T HA -0.144 4.209 4.350 0.006 0.000 0.269 528 T C 2.010 176.946 174.700 0.392 0.000 1.042 528 T CA 1.287 63.568 62.100 0.301 0.000 1.140 528 T CB -0.291 68.786 68.868 0.349 0.000 0.864 528 T HN 0.314 nan 8.240 nan 0.000 0.455 529 c N 1.377 120.182 118.600 0.343 0.000 2.468 529 c HA 0.298 4.872 4.570 0.006 0.000 0.277 529 c C 3.099 177.354 174.090 0.274 0.000 1.400 529 c CA -0.128 56.412 56.329 0.351 0.000 1.770 529 c CB -1.401 41.243 42.510 0.224 0.000 1.905 529 c HN 0.643 nan 8.230 nan 0.000 0.519 530 A N 0.302 123.253 122.820 0.219 0.000 1.933 530 A HA -0.173 4.151 4.320 0.006 0.000 0.218 530 A C 1.843 179.537 177.584 0.183 0.000 1.175 530 A CA 1.511 53.653 52.037 0.175 0.000 0.628 530 A CB -0.756 18.334 19.000 0.150 0.000 0.814 530 A HN 0.536 nan 8.150 nan 0.000 0.444 531 F N -0.644 119.304 119.950 -0.003 0.000 2.046 531 F HA -0.204 4.326 4.527 0.005 0.000 0.297 531 F C 2.009 177.768 175.800 -0.068 0.000 1.123 531 F CA 1.977 59.890 58.000 -0.146 0.000 1.199 531 F CB -0.669 37.965 39.000 -0.609 0.000 0.972 531 F HN 0.376 nan 8.300 nan 0.000 0.474 532 W N 0.621 121.913 121.300 -0.013 0.000 2.358 532 W HA -0.164 4.498 4.660 0.003 0.000 0.303 532 W C 2.196 178.662 176.519 -0.087 0.000 1.208 532 W CA 1.193 58.480 57.345 -0.096 0.000 1.274 532 W CB -0.634 28.893 29.460 0.112 0.000 1.138 532 W HN 0.001 nan 8.180 nan 0.000 0.515 533 N N -0.638 118.185 118.700 0.206 0.000 2.405 533 N HA 0.051 4.795 4.740 0.006 0.000 0.175 533 N C 1.425 176.967 175.510 0.053 0.000 1.051 533 N CA 0.805 53.923 53.050 0.114 0.000 0.899 533 N CB -0.058 38.498 38.487 0.115 0.000 1.000 533 N HN 0.247 nan 8.380 nan 0.000 0.451 534 R N -1.478 119.052 120.500 0.051 0.000 2.243 534 R HA 0.234 4.577 4.340 0.006 0.000 0.193 534 R C 1.371 177.685 176.300 0.023 0.000 0.933 534 R CA -0.109 56.018 56.100 0.044 0.000 1.105 534 R CB -0.144 30.207 30.300 0.085 0.000 1.169 534 R HN 0.011 nan 8.270 nan 0.000 0.599 535 F N 1.838 121.705 119.950 -0.138 0.000 2.074 535 F HA 0.054 4.585 4.527 0.006 0.000 0.290 535 F C 1.785 177.439 175.800 -0.244 0.000 1.118 535 F CA 1.289 59.180 58.000 -0.182 0.000 1.199 535 F CB -0.388 38.492 39.000 -0.200 0.000 1.012 535 F HN -0.165 nan 8.300 nan 0.000 0.472 536 L N 0.492 121.348 121.223 -0.611 0.000 2.013 536 L HA -0.201 4.143 4.340 0.006 0.000 0.212 536 L C -0.375 176.247 176.870 -0.414 0.000 1.073 536 L CA 1.659 56.126 54.840 -0.622 0.000 0.753 536 L CB -2.279 39.489 42.059 -0.486 0.000 0.890 536 L HN 0.153 nan 8.230 nan 0.000 0.432 537 P HA -0.208 nan 4.420 nan 0.000 0.216 537 P C 1.361 178.539 177.300 -0.203 0.000 1.153 537 P CA 1.496 64.493 63.100 -0.172 0.000 0.858 537 P CB -0.032 31.609 31.700 -0.099 0.000 0.789 538 K N -1.262 118.985 120.400 -0.255 0.000 2.217 538 K HA -0.079 4.244 4.320 0.006 0.000 0.202 538 K C 1.931 178.351 176.600 -0.300 0.000 1.051 538 K CA 0.729 56.881 56.287 -0.225 0.000 0.952 538 K CB -0.709 31.696 32.500 -0.158 0.000 0.736 538 K HN 0.085 nan 8.250 nan 0.000 0.453 539 L N 1.346 122.257 121.223 -0.519 0.000 2.056 539 L HA -0.131 4.213 4.340 0.006 0.000 0.207 539 L C 2.046 178.766 176.870 -0.250 0.000 1.078 539 L CA 1.288 55.855 54.840 -0.455 0.000 0.749 539 L CB -0.602 41.056 42.059 -0.670 0.000 0.901 539 L HN 0.036 nan 8.230 nan 0.000 0.433 540 L N -0.118 120.967 121.223 -0.230 0.000 2.013 540 L HA -0.176 4.168 4.340 0.006 0.000 0.212 540 L C 1.595 178.402 176.870 -0.104 0.000 1.073 540 L CA 1.695 56.451 54.840 -0.141 0.000 0.753 540 L CB -0.957 41.029 42.059 -0.121 0.000 0.890 540 L HN 0.332 nan 8.230 nan 0.000 0.432 541 S N 0.991 116.628 115.700 -0.104 0.000 4.027 541 S HA 0.532 5.006 4.470 0.006 0.000 0.188 541 S C 0.210 174.769 174.600 -0.068 0.000 1.230 541 S CA 0.291 58.446 58.200 -0.075 0.000 0.920 541 S CB -1.342 61.818 63.200 -0.067 0.000 1.577 541 S HN 0.713 nan 8.310 nan 0.000 0.445 542 A N 0.000 122.783 122.820 -0.062 0.000 2.254 542 A HA 0.000 4.324 4.320 0.006 0.000 0.244 542 A CA 0.000 52.008 52.037 -0.048 0.000 0.836 542 A CB 0.000 18.970 19.000 -0.049 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486