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 2xuq_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 LARLVGcPPX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSAFLV 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 S 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 0.000 176.611 176.600 0.018 0.000 1.382 1 E CA 0.000 56.415 56.400 0.025 0.000 0.976 1 E CB 0.000 29.716 29.700 0.027 0.000 0.812 2 G N 0.301 109.112 108.800 0.017 0.000 2.793 2 G HA2 -0.195 3.770 3.960 0.007 0.000 0.197 2 G HA3 -0.195 3.770 3.960 0.007 0.000 0.197 2 G C 0.722 175.630 174.900 0.014 0.000 2.112 2 G CA 0.171 45.279 45.100 0.014 0.000 1.556 2 G HN 0.242 nan 8.290 nan 0.000 0.534 3 R N 1.868 122.376 120.500 0.014 0.000 2.427 3 R HA 0.493 4.837 4.340 0.007 0.000 0.262 3 R C 0.470 176.781 176.300 0.017 0.000 0.943 3 R CA 0.141 56.249 56.100 0.014 0.000 1.081 3 R CB 0.426 30.731 30.300 0.009 0.000 1.166 3 R HN 0.554 nan 8.270 nan 0.000 0.534 4 E N 0.487 120.700 120.200 0.022 0.000 2.318 4 E HA 0.025 4.379 4.350 0.007 0.000 0.265 4 E C -0.627 175.996 176.600 0.037 0.000 1.069 4 E CA -0.509 55.908 56.400 0.028 0.000 0.893 4 E CB 0.655 30.374 29.700 0.032 0.000 1.076 4 E HN -0.025 nan 8.360 nan 0.000 0.414 5 D N 2.827 123.256 120.400 0.048 0.000 2.346 5 D HA 0.003 4.648 4.640 0.007 0.000 0.260 5 D C -1.597 174.745 176.300 0.070 0.000 1.252 5 D CA -1.847 52.197 54.000 0.072 0.000 0.895 5 D CB 0.894 41.759 40.800 0.109 0.000 1.097 5 D HN 0.138 nan 8.370 nan 0.000 0.489 6 P HA -0.123 nan 4.420 nan 0.000 0.231 6 P C 0.843 178.157 177.300 0.023 0.000 1.158 6 P CA 0.566 63.685 63.100 0.031 0.000 0.763 6 P CB 0.494 32.202 31.700 0.013 0.000 0.805 7 Q N -0.685 119.126 119.800 0.017 0.000 2.425 7 Q HA 0.159 4.503 4.340 0.007 0.000 0.204 7 Q C 1.668 177.735 176.000 0.112 0.000 0.933 7 Q CA 0.501 56.287 55.803 -0.029 0.000 0.939 7 Q CB 0.161 28.723 28.738 -0.294 0.000 1.044 7 Q HN 0.419 nan 8.270 nan 0.000 0.513 8 L N -0.125 121.188 121.223 0.151 0.000 2.766 8 L HA 0.253 4.598 4.340 0.007 0.000 0.242 8 L C 0.100 177.152 176.870 0.303 0.000 1.136 8 L CA 0.017 54.983 54.840 0.210 0.000 0.933 8 L CB 0.518 42.619 42.059 0.070 0.000 1.241 8 L HN -0.062 nan 8.230 nan 0.000 0.522 9 L N 1.322 122.666 121.223 0.202 0.000 2.264 9 L HA 0.481 4.826 4.340 0.007 0.000 0.287 9 L C -0.780 176.137 176.870 0.078 0.000 1.039 9 L CA -0.384 54.550 54.840 0.157 0.000 0.829 9 L CB 1.506 43.617 42.059 0.088 0.000 1.211 9 L HN -0.195 nan 8.230 nan 0.000 0.427 10 V N 3.405 123.348 119.914 0.049 0.000 2.789 10 V HA 0.484 4.609 4.120 0.007 0.000 0.311 10 V C -0.217 175.800 176.094 -0.128 0.000 1.073 10 V CA -0.777 61.407 62.300 -0.193 0.000 0.921 10 V CB 2.607 34.041 31.823 -0.649 0.000 1.009 10 V HN 0.711 nan 8.190 nan 0.000 0.426 11 R N 2.681 123.080 120.500 -0.168 0.000 2.474 11 R HA 0.822 5.167 4.340 0.007 0.000 0.295 11 R C -0.768 175.444 176.300 -0.146 0.000 0.980 11 R CA -0.309 55.729 56.100 -0.104 0.000 0.934 11 R CB 1.760 31.997 30.300 -0.105 0.000 1.101 11 R HN 0.687 nan 8.270 nan 0.000 0.469 12 V N 1.591 121.476 119.914 -0.048 0.000 3.182 12 V HA 0.503 4.627 4.120 0.007 0.000 0.311 12 V C 0.963 176.993 176.094 -0.107 0.000 1.221 12 V CA -1.025 61.250 62.300 -0.043 0.000 1.060 12 V CB 1.472 33.431 31.823 0.226 0.000 1.164 12 V HN 0.834 nan 8.190 nan 0.000 0.466 13 R N 1.068 121.499 120.500 -0.115 0.000 2.152 13 R HA 0.058 4.403 4.340 0.007 0.000 0.232 13 R C 1.691 177.885 176.300 -0.177 0.000 1.117 13 R CA 2.160 58.184 56.100 -0.126 0.000 0.981 13 R CB -1.036 29.203 30.300 -0.102 0.000 0.870 13 R HN 1.019 nan 8.270 nan 0.000 0.451 14 G N -1.770 106.893 108.800 -0.228 0.000 2.939 14 G HA2 0.423 4.387 3.960 0.007 0.000 0.210 14 G HA3 0.423 4.387 3.960 0.007 0.000 0.210 14 G C 0.267 174.212 174.900 -1.592 0.000 1.160 14 G CA 0.255 44.945 45.100 -0.682 0.000 0.770 14 G HN 0.698 nan 8.290 nan 0.000 0.543 15 G N -0.919 107.290 108.800 -0.985 0.000 2.325 15 G HA2 0.091 4.055 3.960 0.007 0.000 0.285 15 G HA3 0.091 4.055 3.960 0.007 0.000 0.285 15 G C -1.140 173.669 174.900 -0.151 0.000 1.303 15 G CA -0.993 43.621 45.100 -0.811 0.000 0.970 15 G HN 0.285 nan 8.290 nan 0.000 0.490 16 Q N -0.453 119.392 119.800 0.074 0.000 2.293 16 Q HA 0.670 5.014 4.340 0.007 0.000 0.251 16 Q C -0.311 175.948 176.000 0.432 0.000 0.930 16 Q CA -0.069 55.865 55.803 0.218 0.000 0.893 16 Q CB 1.388 30.213 28.738 0.144 0.000 1.215 16 Q HN 0.452 nan 8.270 nan 0.000 0.425 17 L N 1.655 123.076 121.223 0.330 0.000 2.370 17 L HA 0.611 4.955 4.340 0.007 0.000 0.266 17 L C -0.467 176.598 176.870 0.325 0.000 1.002 17 L CA -0.825 54.233 54.840 0.364 0.000 0.818 17 L CB 2.059 44.386 42.059 0.446 0.000 1.325 17 L HN 0.459 nan 8.230 nan 0.000 0.418 18 R N 0.931 121.590 120.500 0.264 0.000 2.310 18 R HA 0.616 4.960 4.340 0.007 0.000 0.324 18 R C -0.145 176.222 176.300 0.111 0.000 0.955 18 R CA -0.293 55.924 56.100 0.195 0.000 0.830 18 R CB 1.493 31.852 30.300 0.099 0.000 1.154 18 R HN 0.838 nan 8.270 nan 0.000 0.458 19 G N 3.419 112.204 108.800 -0.025 0.000 2.543 19 G HA2 0.431 4.395 3.960 0.007 0.000 0.267 19 G HA3 0.431 4.395 3.960 0.007 0.000 0.267 19 G C -0.868 173.793 174.900 -0.399 0.000 1.406 19 G CA -0.661 44.075 45.100 -0.606 0.000 1.048 19 G HN 0.587 nan 8.290 nan 0.000 0.548 20 I N -0.884 119.400 120.570 -0.476 0.000 2.686 20 I HA 0.449 4.623 4.170 0.007 0.000 0.295 20 I C -0.237 175.751 176.117 -0.215 0.000 1.114 20 I CA -1.080 60.058 61.300 -0.270 0.000 1.038 20 I CB 2.158 40.011 38.000 -0.245 0.000 1.238 20 I HN 0.437 nan 8.210 nan 0.000 0.420 21 R N 7.927 128.344 120.500 -0.139 0.000 2.248 21 R HA 0.491 4.835 4.340 0.007 0.000 0.328 21 R C -1.824 174.377 176.300 -0.166 0.000 1.067 21 R CA -0.259 55.745 56.100 -0.162 0.000 0.924 21 R CB 0.415 30.580 30.300 -0.225 0.000 1.013 21 R HN 0.629 nan 8.270 nan 0.000 0.454 22 L N 4.554 125.695 121.223 -0.137 0.000 2.334 22 L HA 0.447 4.791 4.340 0.007 0.000 0.273 22 L C -0.029 176.771 176.870 -0.117 0.000 1.013 22 L CA -1.004 53.773 54.840 -0.105 0.000 0.816 22 L CB 2.059 44.092 42.059 -0.045 0.000 1.278 22 L HN 0.501 nan 8.230 nan 0.000 0.431 23 K N 2.286 122.623 120.400 -0.105 0.000 2.285 23 K HA 0.583 4.908 4.320 0.007 0.000 0.286 23 K C -0.411 176.129 176.600 -0.101 0.000 1.072 23 K CA -0.328 55.901 56.287 -0.096 0.000 0.913 23 K CB 1.423 33.880 32.500 -0.072 0.000 1.067 23 K HN 0.621 nan 8.250 nan 0.000 0.479 24 A N 4.456 127.215 122.820 -0.102 0.000 2.282 24 A HA 0.405 4.729 4.320 0.007 0.000 0.319 24 A C -1.663 175.923 177.584 0.002 0.000 1.121 24 A CA -1.673 50.297 52.037 -0.112 0.000 0.836 24 A CB 0.352 19.265 19.000 -0.146 0.000 1.146 24 A HN 0.430 nan 8.150 nan 0.000 0.494 25 P HA -0.177 nan 4.420 nan 0.000 0.217 25 P C 1.351 178.681 177.300 0.049 0.000 1.158 25 P CA 2.312 65.463 63.100 0.086 0.000 0.887 25 P CB 0.132 31.911 31.700 0.131 0.000 0.792 26 G N -2.391 106.442 108.800 0.055 0.000 3.042 26 G HA2 0.430 4.394 3.960 0.007 0.000 0.212 26 G HA3 0.430 4.394 3.960 0.007 0.000 0.212 26 G C 0.542 175.457 174.900 0.025 0.000 1.166 26 G CA 0.529 45.651 45.100 0.038 0.000 0.767 26 G HN 0.647 nan 8.290 nan 0.000 0.546 27 G N -0.873 107.934 108.800 0.011 0.000 2.359 27 G HA2 0.390 4.355 3.960 0.007 0.000 0.293 27 G HA3 0.390 4.355 3.960 0.007 0.000 0.293 27 G C -3.527 171.355 174.900 -0.031 0.000 1.300 27 G CA -0.848 44.251 45.100 -0.002 0.000 0.888 27 G HN 0.018 nan 8.290 nan 0.000 0.541 28 P HA 0.586 nan 4.420 nan 0.000 0.281 28 P C -0.149 177.136 177.300 -0.025 0.000 1.249 28 P CA -0.586 62.423 63.100 -0.152 0.000 0.810 28 P CB 1.675 33.113 31.700 -0.436 0.000 1.008 29 V N -1.471 118.437 119.914 -0.009 0.000 3.102 29 V HA 0.715 4.840 4.120 0.007 0.000 0.312 29 V C -0.462 175.734 176.094 0.170 0.000 1.135 29 V CA -0.858 61.528 62.300 0.144 0.000 1.022 29 V CB 1.927 33.840 31.823 0.150 0.000 1.056 29 V HN 0.372 nan 8.190 nan 0.000 0.436 30 S N 1.476 117.336 115.700 0.268 0.000 2.508 30 S HA 0.871 5.346 4.470 0.007 0.000 0.284 30 S C -0.017 174.598 174.600 0.024 0.000 1.192 30 S CA -0.004 58.299 58.200 0.171 0.000 1.070 30 S CB 1.271 64.671 63.200 0.333 0.000 1.004 30 S HN 1.562 nan 8.310 nan 0.000 0.493 31 A N 2.563 125.189 122.820 -0.323 0.000 2.393 31 A HA 0.814 5.138 4.320 0.007 0.000 0.306 31 A C -1.371 175.757 177.584 -0.759 0.000 1.050 31 A CA -0.639 51.096 52.037 -0.504 0.000 0.724 31 A CB 0.597 19.253 19.000 -0.572 0.000 1.248 31 A HN 0.665 nan 8.150 nan 0.000 0.424 32 F N 2.442 122.222 119.950 -0.284 0.000 2.430 32 F HA 0.516 5.047 4.527 0.007 0.000 0.362 32 F C -0.299 175.317 175.800 -0.307 0.000 1.103 32 F CA -0.329 57.578 58.000 -0.155 0.000 1.045 32 F CB 1.410 40.465 39.000 0.092 0.000 1.276 32 F HN 0.344 nan 8.300 nan 0.000 0.444 33 L N 2.152 123.219 121.223 -0.260 0.000 2.329 33 L HA 0.751 5.095 4.340 0.007 0.000 0.279 33 L C 0.836 177.595 176.870 -0.184 0.000 1.014 33 L CA -0.974 53.648 54.840 -0.363 0.000 0.814 33 L CB 1.837 43.465 42.059 -0.717 0.000 1.257 33 L HN 0.812 nan 8.230 nan 0.000 0.424 34 G N 2.958 111.711 108.800 -0.079 0.000 2.182 34 G HA2 -0.244 3.720 3.960 0.007 0.000 0.248 34 G HA3 -0.244 3.720 3.960 0.007 0.000 0.248 34 G C -0.079 174.879 174.900 0.096 0.000 1.042 34 G CA -0.413 44.671 45.100 -0.028 0.000 0.775 34 G HN 0.482 nan 8.290 nan 0.000 0.501 35 I N 2.169 122.786 120.570 0.078 0.000 2.517 35 I HA 0.198 4.372 4.170 0.007 0.000 0.285 35 I C -1.428 174.728 176.117 0.064 0.000 1.106 35 I CA -1.895 59.431 61.300 0.044 0.000 1.402 35 I CB 0.797 38.774 38.000 -0.038 0.000 1.399 35 I HN -0.031 nan 8.210 nan 0.000 0.535 36 P HA 0.009 nan 4.420 nan 0.000 0.276 36 P C -0.155 177.080 177.300 -0.108 0.000 1.243 36 P CA 0.077 63.010 63.100 -0.279 0.000 0.768 36 P CB 0.399 31.920 31.700 -0.298 0.000 0.856 37 F N 1.558 121.344 119.950 -0.275 0.000 2.728 37 F HA 0.687 5.219 4.527 0.008 0.000 0.314 37 F C 0.086 175.869 175.800 -0.029 0.000 1.094 37 F CA -0.620 57.295 58.000 -0.141 0.000 1.217 37 F CB 0.275 39.101 39.000 -0.291 0.000 1.056 37 F HN 0.287 nan 8.300 nan 0.000 0.577 38 A N 0.242 122.666 122.820 -0.660 0.000 2.515 38 A HA 0.592 4.916 4.320 0.007 0.000 0.296 38 A C -0.815 176.584 177.584 -0.309 0.000 1.094 38 A CA -0.739 51.041 52.037 -0.428 0.000 0.718 38 A CB 0.939 19.589 19.000 -0.583 0.000 1.307 38 A HN 0.059 nan 8.150 nan 0.000 0.408 39 E N 1.481 121.586 120.200 -0.159 0.000 2.415 39 E HA 0.212 4.566 4.350 0.007 0.000 0.263 39 E C -2.295 174.206 176.600 -0.164 0.000 0.995 39 E CA -1.342 54.987 56.400 -0.118 0.000 0.915 39 E CB 0.085 29.755 29.700 -0.050 0.000 0.951 39 E HN 0.230 nan 8.360 nan 0.000 0.449 40 P HA -0.004 nan 4.420 nan 0.000 0.260 40 P C -2.207 175.030 177.300 -0.107 0.000 1.185 40 P CA -0.800 62.212 63.100 -0.147 0.000 0.763 40 P CB -0.011 31.641 31.700 -0.081 0.000 0.776 41 P HA -0.005 nan 4.420 nan 0.000 0.237 41 P C -0.028 177.222 177.300 -0.083 0.000 1.723 41 P CA 0.075 63.122 63.100 -0.088 0.000 0.882 41 P CB -0.238 31.410 31.700 -0.086 0.000 1.810 42 V N -3.472 116.400 119.914 -0.070 0.000 3.234 42 V HA 0.840 4.964 4.120 0.007 0.000 0.317 42 V C 1.226 177.289 176.094 -0.052 0.000 1.081 42 V CA 0.201 62.462 62.300 -0.065 0.000 1.037 42 V CB 0.335 32.129 31.823 -0.048 0.000 1.148 42 V HN 0.490 nan 8.190 nan 0.000 0.453 43 G N 2.020 110.792 108.800 -0.047 0.000 2.629 43 G HA2 -0.372 3.593 3.960 0.007 0.000 0.313 43 G HA3 -0.372 3.593 3.960 0.007 0.000 0.313 43 G C 1.209 176.094 174.900 -0.025 0.000 1.217 43 G CA 1.879 46.962 45.100 -0.028 0.000 0.994 43 G HN 2.340 nan 8.290 nan 0.000 0.549 44 S N 0.470 116.166 115.700 -0.007 0.000 2.603 44 S HA 0.120 4.594 4.470 0.007 0.000 0.229 44 S C 1.868 176.473 174.600 0.009 0.000 0.972 44 S CA 1.417 59.623 58.200 0.010 0.000 0.935 44 S CB 0.036 63.246 63.200 0.017 0.000 0.769 44 S HN 0.680 nan 8.310 nan 0.000 0.536 45 R N 0.634 121.124 120.500 -0.017 0.000 2.312 45 R HA 0.254 4.598 4.340 0.007 0.000 0.205 45 R C 0.883 177.152 176.300 -0.051 0.000 0.904 45 R CA -0.299 55.790 56.100 -0.019 0.000 1.052 45 R CB 0.061 30.345 30.300 -0.027 0.000 1.014 45 R HN 0.362 nan 8.270 nan 0.000 0.503 46 R N 0.936 121.360 120.500 -0.126 0.000 2.583 46 R HA -0.158 4.186 4.340 0.007 0.000 0.274 46 R C -0.348 175.764 176.300 -0.313 0.000 0.998 46 R CA 0.755 56.650 56.100 -0.342 0.000 1.081 46 R CB 0.114 30.085 30.300 -0.549 0.000 0.940 46 R HN 0.123 nan 8.270 nan 0.000 0.413 47 F N -0.963 119.004 119.950 0.028 0.000 2.705 47 F HA -0.338 4.193 4.527 0.007 0.000 0.413 47 F C 0.278 176.071 175.800 -0.011 0.000 0.588 47 F CA 0.849 58.841 58.000 -0.013 0.000 1.187 47 F CB -1.628 37.352 39.000 -0.034 0.000 1.737 47 F HN 0.472 nan 8.300 nan 0.000 0.285 48 M N 1.281 120.952 119.600 0.118 0.000 2.342 48 M HA 0.389 4.873 4.480 0.007 0.000 0.332 48 M C -1.982 174.348 176.300 0.051 0.000 1.166 48 M CA -1.465 53.884 55.300 0.082 0.000 1.086 48 M CB 0.650 33.286 32.600 0.061 0.000 1.541 48 M HN -0.374 nan 8.290 nan 0.000 0.462 49 P HA 0.051 nan 4.420 nan 0.000 0.266 49 P C -2.435 174.891 177.300 0.043 0.000 1.193 49 P CA -0.441 62.691 63.100 0.055 0.000 0.770 49 P CB -0.420 31.322 31.700 0.069 0.000 0.836 50 P HA 0.173 nan 4.420 nan 0.000 0.279 50 P C -0.599 176.723 177.300 0.038 0.000 1.239 50 P CA -0.035 63.078 63.100 0.022 0.000 0.789 50 P CB 1.000 32.714 31.700 0.024 0.000 0.933 51 E N 3.146 123.353 120.200 0.013 0.000 2.216 51 E HA 0.307 4.662 4.350 0.007 0.000 0.279 51 E C -2.194 174.426 176.600 0.033 0.000 0.997 51 E CA -2.158 54.260 56.400 0.030 0.000 0.817 51 E CB 0.303 30.015 29.700 0.020 0.000 1.096 51 E HN 0.336 nan 8.360 nan 0.000 0.393 52 P HA -0.119 nan 4.420 nan 0.000 0.263 52 P C -0.421 176.933 177.300 0.090 0.000 1.175 52 P CA 0.213 63.381 63.100 0.113 0.000 0.761 52 P CB 0.355 32.129 31.700 0.123 0.000 0.794 53 K N 3.717 124.188 120.400 0.118 0.000 2.448 53 K HA 0.023 4.347 4.320 0.007 0.000 0.278 53 K C 0.015 176.719 176.600 0.173 0.000 1.009 53 K CA 0.467 56.829 56.287 0.126 0.000 0.995 53 K CB 0.172 32.780 32.500 0.180 0.000 0.917 53 K HN 0.258 nan 8.250 nan 0.000 0.481 54 R N 5.099 125.690 120.500 0.153 0.000 2.340 54 R HA 0.227 4.571 4.340 0.007 0.000 0.300 54 R C -2.028 174.390 176.300 0.196 0.000 1.069 54 R CA -1.863 54.319 56.100 0.136 0.000 0.984 54 R CB 0.558 30.916 30.300 0.097 0.000 1.003 54 R HN 0.590 nan 8.270 nan 0.000 0.459 55 P HA -0.145 nan 4.420 nan 0.000 0.263 55 P C -1.050 176.291 177.300 0.069 0.000 1.168 55 P CA 0.420 63.479 63.100 -0.069 0.000 0.759 55 P CB 0.247 31.867 31.700 -0.134 0.000 0.782 56 W N 1.674 123.007 121.300 0.056 0.000 2.767 56 W HA 0.703 5.368 4.660 0.007 0.000 0.375 56 W C -0.532 176.013 176.519 0.042 0.000 1.461 56 W CA -0.784 56.590 57.345 0.049 0.000 1.415 56 W CB -0.111 29.385 29.460 0.060 0.000 1.581 56 W HN 0.382 nan 8.180 nan 0.000 0.672 57 S N 0.281 116.149 115.700 0.279 0.000 2.600 57 S HA 0.856 5.330 4.470 0.007 0.000 0.300 57 S C 0.156 174.906 174.600 0.250 0.000 1.087 57 S CA -0.238 58.051 58.200 0.149 0.000 0.965 57 S CB 1.030 64.284 63.200 0.091 0.000 1.089 57 S HN 2.100 nan 8.310 nan 0.000 0.496 58 G N -0.075 108.820 108.800 0.159 0.000 2.698 58 G HA2 -0.113 3.851 3.960 0.007 0.000 0.233 58 G HA3 -0.113 3.851 3.960 0.007 0.000 0.233 58 G C -0.793 174.258 174.900 0.251 0.000 1.352 58 G CA -0.398 44.803 45.100 0.167 0.000 0.879 58 G HN 1.631 nan 8.290 nan 0.000 0.567 59 V N 1.105 121.139 119.914 0.200 0.000 2.334 59 V HA 0.467 4.591 4.120 0.007 0.000 0.267 59 V C 0.999 177.212 176.094 0.198 0.000 1.040 59 V CA -0.141 62.290 62.300 0.218 0.000 0.866 59 V CB 0.970 32.876 31.823 0.138 0.000 1.019 59 V HN 0.794 nan 8.190 nan 0.000 0.468 60 L N 4.798 126.176 121.223 0.259 0.000 2.455 60 L HA 0.228 4.573 4.340 0.007 0.000 0.272 60 L C 0.680 177.565 176.870 0.025 0.000 1.174 60 L CA 0.265 55.106 54.840 0.002 0.000 0.869 60 L CB 0.544 42.378 42.059 -0.375 0.000 1.130 60 L HN 0.659 nan 8.230 nan 0.000 0.474 61 D N 4.692 125.074 120.400 -0.031 0.000 2.339 61 D HA 0.190 4.834 4.640 0.007 0.000 0.256 61 D C -0.388 175.879 176.300 -0.055 0.000 1.214 61 D CA 0.052 54.035 54.000 -0.029 0.000 0.877 61 D CB 1.456 42.227 40.800 -0.048 0.000 1.111 61 D HN 0.685 nan 8.370 nan 0.000 0.478 62 A N 3.129 125.935 122.820 -0.024 0.000 2.855 62 A HA 0.164 4.488 4.320 0.007 0.000 0.301 62 A C 1.043 178.535 177.584 -0.152 0.000 1.076 62 A CA -0.410 51.599 52.037 -0.046 0.000 1.004 62 A CB -0.103 18.965 19.000 0.114 0.000 1.152 62 A HN 0.566 nan 8.150 nan 0.000 0.531 63 T N -2.947 111.503 114.554 -0.174 0.000 3.060 63 T HA 0.240 4.594 4.350 0.007 0.000 0.249 63 T C 0.746 175.280 174.700 -0.278 0.000 1.079 63 T CA 0.852 62.818 62.100 -0.225 0.000 1.013 63 T CB -0.303 68.468 68.868 -0.162 0.000 0.975 63 T HN 0.718 nan 8.240 nan 0.000 0.518 64 T N -0.725 113.660 114.554 -0.281 0.000 2.896 64 T HA 0.684 5.038 4.350 0.007 0.000 0.297 64 T C -0.889 173.624 174.700 -0.312 0.000 1.108 64 T CA -0.953 60.971 62.100 -0.293 0.000 1.004 64 T CB 1.056 69.826 68.868 -0.165 0.000 1.159 64 T HN -0.004 nan 8.240 nan 0.000 0.499 65 F N 2.073 121.946 119.950 -0.128 0.000 2.529 65 F HA 0.340 4.871 4.527 0.007 0.000 0.365 65 F C 1.493 177.185 175.800 -0.181 0.000 1.102 65 F CA -0.216 57.707 58.000 -0.127 0.000 1.271 65 F CB 0.584 39.535 39.000 -0.081 0.000 1.120 65 F HN 0.496 nan 8.300 nan 0.000 0.579 66 Q N 1.647 121.429 119.800 -0.029 0.000 2.177 66 Q HA 0.199 4.543 4.340 0.007 0.000 0.183 66 Q C -0.083 175.813 176.000 -0.174 0.000 1.040 66 Q CA -0.734 54.901 55.803 -0.280 0.000 1.089 66 Q CB 0.535 28.790 28.738 -0.804 0.000 1.130 66 Q HN 0.536 nan 8.270 nan 0.000 0.575 67 N N -0.144 118.416 118.700 -0.233 0.000 2.374 67 N HA 0.010 4.754 4.740 0.007 0.000 0.241 67 N C -0.540 174.923 175.510 -0.078 0.000 1.262 67 N CA 0.170 53.140 53.050 -0.133 0.000 0.880 67 N CB 0.377 38.797 38.487 -0.112 0.000 1.105 67 N HN 0.167 nan 8.380 nan 0.000 0.438 68 V N 1.414 121.256 119.914 -0.121 0.000 2.481 68 V HA 0.125 4.249 4.120 0.007 0.000 0.286 68 V C 0.607 176.617 176.094 -0.141 0.000 1.042 68 V CA -0.859 61.359 62.300 -0.136 0.000 0.928 68 V CB 1.276 32.981 31.823 -0.196 0.000 0.986 68 V HN 0.723 nan 8.190 nan 0.000 0.462 69 c N 3.866 122.409 118.600 -0.096 0.000 2.679 69 c HA 0.123 4.698 4.570 0.007 0.000 0.417 69 c C 0.508 174.520 174.090 -0.130 0.000 1.302 69 c CA -0.581 55.698 56.329 -0.084 0.000 1.973 69 c CB -0.888 41.613 42.510 -0.016 0.000 2.715 69 c HN 0.744 nan 8.230 nan 0.000 0.628 70 Y N 3.344 123.483 120.300 -0.267 0.000 2.717 70 Y HA 0.217 4.771 4.550 0.007 0.000 0.330 70 Y C 0.899 176.787 175.900 -0.021 0.000 1.217 70 Y CA 1.063 59.002 58.100 -0.268 0.000 1.506 70 Y CB 0.159 38.194 38.460 -0.708 0.000 1.268 70 Y HN 0.731 nan 8.280 nan 0.000 0.561 71 Q N 3.597 123.471 119.800 0.122 0.000 2.687 71 Q HA 0.206 4.550 4.340 0.007 0.000 0.295 71 Q C -1.915 174.231 176.000 0.243 0.000 0.920 71 Q CA -1.232 54.718 55.803 0.245 0.000 0.766 71 Q CB 1.264 30.062 28.738 0.100 0.000 1.467 71 Q HN 0.671 nan 8.270 nan 0.000 0.415 72 Y N 1.574 122.004 120.300 0.216 0.000 2.587 72 Y HA 0.350 4.904 4.550 0.007 0.000 0.344 72 Y C -0.744 175.212 175.900 0.094 0.000 1.061 72 Y CA -0.337 57.852 58.100 0.148 0.000 1.370 72 Y CB 0.752 39.276 38.460 0.106 0.000 1.163 72 Y HN 0.427 nan 8.280 nan 0.000 0.527 73 V N 7.080 126.698 119.914 -0.493 0.000 2.508 73 V HA -0.032 4.092 4.120 0.007 0.000 0.281 73 V C 0.344 175.953 176.094 -0.807 0.000 1.041 73 V CA -0.510 61.502 62.300 -0.480 0.000 1.016 73 V CB 0.651 32.304 31.823 -0.284 0.000 0.984 73 V HN 0.732 nan 8.190 nan 0.000 0.478 74 D N 4.117 124.267 120.400 -0.418 0.000 2.425 74 D HA 0.067 4.711 4.640 0.007 0.000 0.247 74 D C 0.807 177.054 176.300 -0.089 0.000 1.147 74 D CA 0.378 54.275 54.000 -0.172 0.000 0.879 74 D CB 1.421 42.293 40.800 0.121 0.000 1.179 74 D HN 0.774 nan 8.370 nan 0.000 0.456 75 T N 1.376 115.925 114.554 -0.008 0.000 3.337 75 T HA 0.041 4.395 4.350 0.007 0.000 0.299 75 T C 1.495 176.207 174.700 0.021 0.000 0.998 75 T CA -0.484 61.623 62.100 0.012 0.000 0.948 75 T CB -0.033 68.831 68.868 -0.006 0.000 1.170 75 T HN 0.215 nan 8.240 nan 0.000 0.508 76 L N 0.684 121.923 121.223 0.026 0.000 2.046 76 L HA 0.226 4.570 4.340 0.007 0.000 0.208 76 L C -0.357 176.242 176.870 -0.451 0.000 1.077 76 L CA 1.632 56.327 54.840 -0.241 0.000 0.747 76 L CB -0.305 41.549 42.059 -0.341 0.000 0.896 76 L HN 0.442 nan 8.230 nan 0.000 0.432 77 Y N -0.597 119.745 120.300 0.069 0.000 2.592 77 Y HA 0.410 4.964 4.550 0.007 0.000 0.354 77 Y C -2.295 173.648 175.900 0.072 0.000 1.063 77 Y CA -3.382 54.732 58.100 0.024 0.000 1.205 77 Y CB 0.049 38.476 38.460 -0.054 0.000 1.106 77 Y HN 0.035 nan 8.280 nan 0.000 0.649 78 P HA 0.194 nan 4.420 nan 0.000 0.267 78 P C 1.031 178.388 177.300 0.094 0.000 1.209 78 P CA 1.387 64.545 63.100 0.098 0.000 0.763 78 P CB 0.921 32.651 31.700 0.050 0.000 0.816 79 G N 2.890 111.730 108.800 0.067 0.000 2.284 79 G HA2 -0.296 3.669 3.960 0.007 0.000 0.247 79 G HA3 -0.296 3.669 3.960 0.007 0.000 0.247 79 G C 0.071 175.002 174.900 0.052 0.000 1.012 79 G CA -0.405 44.716 45.100 0.036 0.000 0.618 79 G HN 0.536 nan 8.290 nan 0.000 0.521 80 F N 2.651 122.555 119.950 -0.077 0.000 2.543 80 F HA 0.517 5.048 4.527 0.007 0.000 0.375 80 F C 1.471 177.164 175.800 -0.177 0.000 1.075 80 F CA 0.010 57.914 58.000 -0.161 0.000 1.225 80 F CB 1.192 40.072 39.000 -0.201 0.000 1.099 80 F HN 0.257 nan 8.300 nan 0.000 0.561 81 E N 4.004 123.756 120.200 -0.746 0.000 2.153 81 E HA -0.085 4.269 4.350 0.007 0.000 0.194 81 E C 2.199 178.291 176.600 -0.846 0.000 0.988 81 E CA 1.695 57.692 56.400 -0.671 0.000 0.811 81 E CB -0.481 28.895 29.700 -0.541 0.000 0.746 81 E HN 0.898 nan 8.360 nan 0.000 0.466 82 G N -0.725 107.015 108.800 -1.765 0.000 2.462 82 G HA2 -0.295 3.669 3.960 0.007 0.000 0.220 82 G HA3 -0.295 3.669 3.960 0.007 0.000 0.220 82 G C 1.645 176.524 174.900 -0.036 0.000 1.121 82 G CA 1.618 45.964 45.100 -1.257 0.000 0.758 82 G HN 0.494 nan 8.290 nan 0.000 0.559 83 T N -2.602 111.955 114.554 0.005 0.000 3.038 83 T HA 0.198 4.553 4.350 0.007 0.000 0.244 83 T C 1.888 176.714 174.700 0.210 0.000 1.016 83 T CA 0.699 63.061 62.100 0.436 0.000 1.098 83 T CB 0.143 69.337 68.868 0.542 0.000 0.954 83 T HN 0.251 nan 8.240 nan 0.000 0.469 84 E N 1.649 121.846 120.200 -0.006 0.000 2.268 84 E HA -0.020 4.334 4.350 0.007 0.000 0.195 84 E C 2.112 178.597 176.600 -0.190 0.000 0.995 84 E CA 1.199 57.551 56.400 -0.081 0.000 0.836 84 E CB -0.456 29.179 29.700 -0.109 0.000 0.763 84 E HN 0.788 nan 8.360 nan 0.000 0.491 85 M N -1.924 117.479 119.600 -0.328 0.000 2.374 85 M HA -0.065 4.419 4.480 0.007 0.000 0.264 85 M C 1.020 176.927 176.300 -0.656 0.000 1.067 85 M CA 1.322 56.290 55.300 -0.552 0.000 1.103 85 M CB -0.313 31.854 32.600 -0.722 0.000 1.402 85 M HN 0.025 nan 8.290 nan 0.000 0.444 86 W N 1.008 122.207 121.300 -0.169 0.000 3.077 86 W HA 0.254 4.918 4.660 0.007 0.000 0.266 86 W C 0.378 176.776 176.519 -0.202 0.000 1.300 86 W CA -0.853 56.377 57.345 -0.193 0.000 1.586 86 W CB -0.308 29.078 29.460 -0.124 0.000 1.103 86 W HN 0.112 nan 8.180 nan 0.000 0.652 87 N N 1.628 120.317 118.700 -0.019 0.000 2.482 87 N HA 0.121 4.865 4.740 0.007 0.000 0.260 87 N C -2.341 173.075 175.510 -0.158 0.000 1.236 87 N CA -1.485 51.513 53.050 -0.086 0.000 0.938 87 N CB -0.132 38.303 38.487 -0.085 0.000 1.128 87 N HN -0.309 nan 8.380 nan 0.000 0.448 88 P HA 0.023 nan 4.420 nan 0.000 0.265 88 P C 0.168 177.352 177.300 -0.193 0.000 1.187 88 P CA 0.160 63.137 63.100 -0.205 0.000 0.766 88 P CB 0.337 31.913 31.700 -0.208 0.000 0.820 89 N N 1.444 120.021 118.700 -0.205 0.000 2.238 89 N HA 0.110 4.854 4.740 0.007 0.000 0.235 89 N C 0.044 175.465 175.510 -0.148 0.000 1.209 89 N CA -0.152 52.790 53.050 -0.180 0.000 0.879 89 N CB 0.516 38.879 38.487 -0.207 0.000 1.136 89 N HN 0.154 nan 8.380 nan 0.000 0.517 90 R N -0.028 120.381 120.500 -0.151 0.000 2.831 90 R HA 0.282 4.627 4.340 0.007 0.000 0.266 90 R C -0.634 175.580 176.300 -0.143 0.000 1.051 90 R CA -0.650 55.376 56.100 -0.124 0.000 0.943 90 R CB 1.136 31.373 30.300 -0.105 0.000 1.228 90 R HN 0.270 nan 8.270 nan 0.000 0.467 91 E N 1.452 121.572 120.200 -0.132 0.000 2.442 91 E HA -0.007 4.347 4.350 0.007 0.000 0.262 91 E C -0.515 175.968 176.600 -0.196 0.000 1.004 91 E CA 0.055 56.367 56.400 -0.147 0.000 0.928 91 E CB 0.543 30.172 29.700 -0.118 0.000 0.937 91 E HN 0.263 nan 8.360 nan 0.000 0.446 92 L N 3.435 124.495 121.223 -0.272 0.000 2.331 92 L HA 0.215 4.560 4.340 0.007 0.000 0.278 92 L C 0.309 176.962 176.870 -0.362 0.000 1.106 92 L CA 0.045 54.619 54.840 -0.442 0.000 0.824 92 L CB 1.093 42.690 42.059 -0.771 0.000 1.142 92 L HN 0.420 nan 8.230 nan 0.000 0.443 93 S N 1.491 117.046 115.700 -0.242 0.000 2.552 93 S HA 0.216 4.690 4.470 0.007 0.000 0.272 93 S C 0.218 174.817 174.600 -0.001 0.000 1.150 93 S CA -0.708 57.476 58.200 -0.026 0.000 0.849 93 S CB 1.622 64.804 63.200 -0.031 0.000 1.113 93 S HN 0.736 nan 8.310 nan 0.000 0.458 94 E N 0.859 121.061 120.200 0.003 0.000 2.347 94 E HA -0.051 4.303 4.350 0.007 0.000 0.196 94 E C -0.358 176.200 176.600 -0.071 0.000 1.008 94 E CA 0.455 56.778 56.400 -0.128 0.000 0.852 94 E CB 0.082 29.668 29.700 -0.190 0.000 0.783 94 E HN 0.559 nan 8.360 nan 0.000 0.505 95 D N 0.433 120.824 120.400 -0.015 0.000 2.483 95 D HA -0.003 4.641 4.640 0.007 0.000 0.220 95 D C 0.124 176.514 176.300 0.150 0.000 1.173 95 D CA -0.244 53.780 54.000 0.040 0.000 0.964 95 D CB -0.066 40.770 40.800 0.061 0.000 1.046 95 D HN 0.135 nan 8.370 nan 0.000 0.517 96 c N 2.177 120.848 118.600 0.118 0.000 3.911 96 c HA 0.364 4.938 4.570 0.007 0.000 0.318 96 c C 0.781 175.005 174.090 0.223 0.000 1.643 96 c CA -0.646 55.813 56.329 0.217 0.000 1.845 96 c CB -1.191 41.361 42.510 0.071 0.000 2.981 96 c HN 0.418 nan 8.230 nan 0.000 0.656 97 L N 2.490 123.620 121.223 -0.155 0.000 2.382 97 L HA 0.358 4.702 4.340 0.007 0.000 0.259 97 L C -0.886 175.581 176.870 -0.672 0.000 1.291 97 L CA 0.632 55.207 54.840 -0.442 0.000 1.176 97 L CB -0.837 40.757 42.059 -0.776 0.000 1.373 97 L HN 0.415 nan 8.230 nan 0.000 0.426 98 Y N 1.761 122.131 120.300 0.118 0.000 2.576 98 Y HA 0.654 5.208 4.550 0.007 0.000 0.346 98 Y C -0.049 176.026 175.900 0.291 0.000 1.018 98 Y CA -1.243 56.958 58.100 0.168 0.000 1.050 98 Y CB 2.024 40.505 38.460 0.034 0.000 1.280 98 Y HN 0.186 nan 8.280 nan 0.000 0.474 99 L N -0.268 121.104 121.223 0.248 0.000 2.303 99 L HA 0.764 5.109 4.340 0.007 0.000 0.256 99 L C -1.316 175.535 176.870 -0.031 0.000 1.034 99 L CA -1.212 53.647 54.840 0.032 0.000 0.832 99 L CB 1.739 43.623 42.059 -0.291 0.000 1.403 99 L HN 0.495 nan 8.230 nan 0.000 0.419 100 N N 0.048 118.737 118.700 -0.019 0.000 2.240 100 N HA 0.750 5.494 4.740 0.007 0.000 0.302 100 N C -1.522 173.879 175.510 -0.181 0.000 1.106 100 N CA -0.470 52.491 53.050 -0.148 0.000 0.778 100 N CB 2.933 41.351 38.487 -0.115 0.000 1.431 100 N HN 0.495 nan 8.380 nan 0.000 0.479 101 V N 1.146 120.867 119.914 -0.321 0.000 2.638 101 V HA 0.464 4.589 4.120 0.007 0.000 0.306 101 V C -0.916 175.091 176.094 -0.145 0.000 1.052 101 V CA -0.773 61.435 62.300 -0.153 0.000 0.885 101 V CB 2.396 34.002 31.823 -0.362 0.000 0.999 101 V HN 0.574 nan 8.190 nan 0.000 0.424 102 W N 2.926 124.305 121.300 0.132 0.000 2.587 102 W HA 0.679 5.344 4.660 0.008 0.000 0.324 102 W C 0.076 176.692 176.519 0.162 0.000 1.040 102 W CA -0.436 56.995 57.345 0.144 0.000 1.222 102 W CB 2.464 31.991 29.460 0.112 0.000 1.381 102 W HN 0.666 nan 8.180 nan 0.000 0.483 103 T N 0.372 115.168 114.554 0.404 0.000 2.896 103 T HA 0.520 4.874 4.350 0.007 0.000 0.297 103 T C -2.808 172.062 174.700 0.283 0.000 1.108 103 T CA -2.471 59.822 62.100 0.322 0.000 1.004 103 T CB 2.372 71.446 68.868 0.343 0.000 1.159 103 T HN -0.099 nan 8.240 nan 0.000 0.499 104 P HA 0.134 nan 4.420 nan 0.000 0.269 104 P C -1.491 175.950 177.300 0.234 0.000 1.211 104 P CA -0.069 63.149 63.100 0.196 0.000 0.781 104 P CB 0.092 31.877 31.700 0.141 0.000 0.877 105 Y N 3.122 123.478 120.300 0.093 0.000 2.328 105 Y HA 0.403 4.957 4.550 0.007 0.000 0.333 105 Y C -2.026 173.909 175.900 0.059 0.000 0.958 105 Y CA -2.367 55.780 58.100 0.078 0.000 1.167 105 Y CB 0.955 39.450 38.460 0.057 0.000 1.151 105 Y HN 0.336 nan 8.280 nan 0.000 0.470 106 P HA 0.252 nan 4.420 nan 0.000 0.274 106 P C -0.880 176.382 177.300 -0.063 0.000 1.256 106 P CA -0.488 62.436 63.100 -0.294 0.000 0.795 106 P CB 1.067 32.618 31.700 -0.249 0.000 1.038 107 R N 0.948 121.422 120.500 -0.042 0.000 2.640 107 R HA 0.130 4.474 4.340 0.007 0.000 0.270 107 R C -1.799 174.520 176.300 0.033 0.000 1.024 107 R CA -0.841 55.289 56.100 0.050 0.000 1.085 107 R CB -0.773 29.562 30.300 0.058 0.000 0.963 107 R HN 0.444 nan 8.270 nan 0.000 0.426 108 P HA 0.031 nan 4.420 nan 0.000 0.271 108 P C -0.195 177.120 177.300 0.025 0.000 1.216 108 P CA 0.017 63.143 63.100 0.043 0.000 0.776 108 P CB 0.974 32.709 31.700 0.058 0.000 0.881 109 A N 2.500 125.329 122.820 0.015 0.000 1.933 109 A HA -0.029 4.295 4.320 0.007 0.000 0.218 109 A C 1.106 178.693 177.584 0.005 0.000 1.175 109 A CA 1.672 53.712 52.037 0.005 0.000 0.628 109 A CB -0.932 18.069 19.000 0.002 0.000 0.814 109 A HN 0.668 nan 8.150 nan 0.000 0.444 110 S N -0.944 114.762 115.700 0.010 0.000 2.578 110 S HA 0.629 5.103 4.470 0.007 0.000 0.301 110 S C -3.170 171.439 174.600 0.015 0.000 1.091 110 S CA -1.821 56.384 58.200 0.007 0.000 1.032 110 S CB 1.264 64.467 63.200 0.004 0.000 1.064 110 S HN 0.014 nan 8.310 nan 0.000 0.508 111 P HA 0.211 nan 4.420 nan 0.000 0.262 111 P C -0.621 176.692 177.300 0.022 0.000 1.199 111 P CA 0.151 63.262 63.100 0.018 0.000 0.763 111 P CB 0.158 31.862 31.700 0.006 0.000 0.790 112 T N 4.987 119.565 114.554 0.041 0.000 2.867 112 T HA 0.414 4.769 4.350 0.007 0.000 0.282 112 T C -2.404 172.323 174.700 0.044 0.000 1.000 112 T CA -2.054 60.072 62.100 0.043 0.000 1.042 112 T CB 0.687 69.594 68.868 0.065 0.000 0.973 112 T HN 0.140 nan 8.240 nan 0.000 0.465 113 P HA 0.187 nan 4.420 nan 0.000 0.266 113 P C -0.870 176.466 177.300 0.061 0.000 1.195 113 P CA -0.293 62.824 63.100 0.028 0.000 0.768 113 P CB 0.401 32.101 31.700 0.000 0.000 0.838 114 V N 4.916 124.881 119.914 0.085 0.000 2.435 114 V HA 0.309 4.433 4.120 0.007 0.000 0.290 114 V C 0.283 176.454 176.094 0.128 0.000 1.030 114 V CA -0.442 61.931 62.300 0.123 0.000 0.881 114 V CB 1.117 33.028 31.823 0.147 0.000 0.983 114 V HN 0.351 nan 8.190 nan 0.000 0.445 115 L N 5.927 127.235 121.223 0.143 0.000 2.296 115 L HA 0.595 4.940 4.340 0.007 0.000 0.286 115 L C -0.569 176.512 176.870 0.352 0.000 1.023 115 L CA -0.218 54.719 54.840 0.160 0.000 0.812 115 L CB 1.645 43.680 42.059 -0.039 0.000 1.223 115 L HN 0.488 nan 8.230 nan 0.000 0.421 116 I N 3.015 123.834 120.570 0.415 0.000 2.355 116 I HA 0.227 4.401 4.170 0.007 0.000 0.288 116 I C -0.669 175.755 176.117 0.511 0.000 0.999 116 I CA -0.380 61.158 61.300 0.397 0.000 1.163 116 I CB 1.285 39.397 38.000 0.186 0.000 1.316 116 I HN 0.621 nan 8.210 nan 0.000 0.454 117 W N 8.443 129.883 121.300 0.234 0.000 2.438 117 W HA 0.610 5.273 4.660 0.006 0.000 0.324 117 W C -1.520 174.922 176.519 -0.129 0.000 1.119 117 W CA -0.660 56.624 57.345 -0.101 0.000 1.221 117 W CB 1.300 30.722 29.460 -0.063 0.000 1.253 117 W HN 0.331 nan 8.180 nan 0.000 0.555 118 I N 8.728 128.579 120.570 -1.199 0.000 2.493 118 I HA 0.055 4.230 4.170 0.007 0.000 0.279 118 I C -0.416 174.844 176.117 -1.428 0.000 1.045 118 I CA -1.080 59.605 61.300 -1.026 0.000 1.106 118 I CB 0.726 38.313 38.000 -0.688 0.000 1.216 118 I HN 0.301 nan 8.210 nan 0.000 0.459 119 Y N 4.324 124.086 120.300 -0.897 0.000 2.550 119 Y HA 0.621 5.176 4.550 0.007 0.000 0.343 119 Y C 0.794 176.497 175.900 -0.328 0.000 1.245 119 Y CA -0.596 57.131 58.100 -0.621 0.000 1.462 119 Y CB -0.022 38.302 38.460 -0.228 0.000 1.340 119 Y HN 0.509 nan 8.280 nan 0.000 0.604 120 G N -0.614 108.166 108.800 -0.033 0.000 2.583 120 G HA2 0.496 4.461 3.960 0.007 0.000 0.280 120 G HA3 0.496 4.461 3.960 0.007 0.000 0.280 120 G C 0.279 175.137 174.900 -0.071 0.000 1.376 120 G CA -0.922 44.105 45.100 -0.122 0.000 1.043 120 G HN 1.721 nan 8.290 nan 0.000 0.538 121 G N -2.838 105.766 108.800 -0.327 0.000 2.223 121 G HA2 0.413 4.378 3.960 0.007 0.000 0.200 121 G HA3 0.413 4.378 3.960 0.007 0.000 0.200 121 G C 0.990 175.440 174.900 -0.749 0.000 1.061 121 G CA 0.694 45.489 45.100 -0.508 0.000 0.790 121 G HN 2.302 nan 8.290 nan 0.000 0.498 122 G N -0.387 107.922 108.800 -0.818 0.000 2.233 122 G HA2 -0.122 3.843 3.960 0.007 0.000 0.270 122 G HA3 -0.122 3.843 3.960 0.007 0.000 0.270 122 G C 0.899 175.543 174.900 -0.427 0.000 1.011 122 G CA 0.720 45.045 45.100 -1.291 0.000 0.762 122 G HN 1.750 nan 8.290 nan 0.000 0.511 123 F N -3.359 116.477 119.950 -0.189 0.000 2.935 123 F HA -0.314 4.217 4.527 0.007 0.000 0.317 123 F C 1.421 177.338 175.800 0.195 0.000 0.699 123 F CA 2.209 60.195 58.000 -0.022 0.000 1.127 123 F CB -2.068 36.752 39.000 -0.300 0.000 1.491 123 F HN 0.955 nan 8.300 nan 0.000 0.337 124 Y N -1.090 119.311 120.300 0.168 0.000 2.527 124 Y HA 0.656 5.210 4.550 0.007 0.000 0.247 124 Y C 0.442 176.430 175.900 0.147 0.000 1.138 124 Y CA 0.268 58.508 58.100 0.233 0.000 1.228 124 Y CB 0.102 38.690 38.460 0.213 0.000 1.252 124 Y HN 0.077 nan 8.280 nan 0.000 0.531 125 S N -0.783 114.606 115.700 -0.519 0.000 2.643 125 S HA 0.875 5.349 4.470 0.007 0.000 0.270 125 S C -0.251 174.151 174.600 -0.329 0.000 1.166 125 S CA -0.519 57.405 58.200 -0.460 0.000 0.815 125 S CB 1.466 64.224 63.200 -0.737 0.000 1.139 125 S HN 1.356 nan 8.310 nan 0.000 0.472 126 G N -0.701 107.867 108.800 -0.387 0.000 2.406 126 G HA2 0.556 4.520 3.960 0.007 0.000 0.680 126 G HA3 0.556 4.520 3.960 0.007 0.000 0.680 126 G C -0.758 173.435 174.900 -1.178 0.000 1.338 126 G CA -0.169 44.532 45.100 -0.666 0.000 0.941 126 G HN 2.188 nan 8.290 nan 0.000 0.633 127 A N -0.933 121.068 122.820 -1.365 0.000 2.577 127 A HA 0.985 5.309 4.320 0.007 0.000 0.297 127 A C 0.521 177.869 177.584 -0.393 0.000 1.060 127 A CA 0.513 52.032 52.037 -0.865 0.000 0.697 127 A CB 1.061 19.809 19.000 -0.421 0.000 1.281 127 A HN 2.586 nan 8.150 nan 0.000 0.402 128 A N 0.660 123.507 122.820 0.045 0.000 2.235 128 A HA 0.314 4.638 4.320 0.007 0.000 0.208 128 A C 1.487 179.125 177.584 0.090 0.000 1.172 128 A CA 1.526 53.775 52.037 0.354 0.000 0.786 128 A CB -0.592 18.691 19.000 0.473 0.000 0.804 128 A HN 1.803 nan 8.150 nan 0.000 0.479 129 S N -0.788 114.731 115.700 -0.301 0.000 2.539 129 S HA 0.362 4.836 4.470 0.007 0.000 0.221 129 S C 0.367 174.516 174.600 -0.752 0.000 0.987 129 S CA -0.486 57.084 58.200 -1.050 0.000 0.929 129 S CB -0.496 61.993 63.200 -1.186 0.000 0.832 129 S HN 0.347 nan 8.310 nan 0.000 0.492 130 L N 2.354 123.304 121.223 -0.455 0.000 2.485 130 L HA 0.145 4.489 4.340 0.007 0.000 0.275 130 L C 1.148 177.679 176.870 -0.565 0.000 1.207 130 L CA -0.378 54.132 54.840 -0.550 0.000 0.855 130 L CB 0.193 41.803 42.059 -0.749 0.000 1.114 130 L HN 0.107 nan 8.230 nan 0.000 0.485 131 D N 1.312 121.422 120.400 -0.482 0.000 2.190 131 D HA -0.151 4.494 4.640 0.007 0.000 0.200 131 D C 1.900 177.917 176.300 -0.471 0.000 0.992 131 D CA 1.355 55.130 54.000 -0.375 0.000 0.854 131 D CB 0.039 40.657 40.800 -0.304 0.000 0.936 131 D HN 0.543 nan 8.370 nan 0.000 0.462 132 V N -1.815 117.659 119.914 -0.733 0.000 3.380 132 V HA -0.088 4.036 4.120 0.007 0.000 0.268 132 V C 0.954 176.405 176.094 -1.071 0.000 1.168 132 V CA 0.799 62.620 62.300 -0.798 0.000 1.156 132 V CB -1.031 30.277 31.823 -0.858 0.000 0.785 132 V HN 0.039 nan 8.190 nan 0.000 0.487 133 Y N 0.057 119.779 120.300 -0.965 0.000 2.607 133 Y HA 0.453 5.007 4.550 0.007 0.000 0.266 133 Y C 0.831 176.132 175.900 -0.998 0.000 1.178 133 Y CA -1.975 55.185 58.100 -1.566 0.000 1.226 133 Y CB -0.697 37.207 38.460 -0.926 0.000 1.144 133 Y HN 0.215 nan 8.280 nan 0.000 0.528 134 D N 0.953 121.035 120.400 -0.530 0.000 2.426 134 D HA 0.016 4.661 4.640 0.007 0.000 0.261 134 D C 1.424 177.366 176.300 -0.598 0.000 1.245 134 D CA 0.528 54.273 54.000 -0.424 0.000 0.917 134 D CB 1.139 41.835 40.800 -0.173 0.000 1.123 134 D HN 0.492 nan 8.370 nan 0.000 0.508 135 G N 3.915 111.718 108.800 -1.662 0.000 2.848 135 G HA2 -0.182 3.782 3.960 0.007 0.000 0.208 135 G HA3 -0.182 3.782 3.960 0.007 0.000 0.208 135 G C 1.494 175.803 174.900 -0.984 0.000 1.152 135 G CA 0.321 44.678 45.100 -1.238 0.000 0.789 135 G HN 0.612 nan 8.290 nan 0.000 0.531 136 R N -0.797 119.051 120.500 -1.087 0.000 2.115 136 R HA 0.035 4.379 4.340 0.007 0.000 0.230 136 R C 1.677 177.715 176.300 -0.437 0.000 1.111 136 R CA 1.192 56.928 56.100 -0.607 0.000 0.976 136 R CB -0.596 29.377 30.300 -0.545 0.000 0.870 136 R HN 0.311 nan 8.270 nan 0.000 0.445 137 F N 1.357 121.207 119.950 -0.166 0.000 2.149 137 F HA 0.104 4.636 4.527 0.008 0.000 0.294 137 F C 2.194 177.935 175.800 -0.099 0.000 1.095 137 F CA 0.675 58.608 58.000 -0.111 0.000 1.276 137 F CB -0.474 38.452 39.000 -0.124 0.000 1.023 137 F HN -0.141 nan 8.300 nan 0.000 0.480 138 L N -0.131 121.122 121.223 0.050 0.000 2.083 138 L HA -0.192 4.152 4.340 0.007 0.000 0.209 138 L C 2.714 179.592 176.870 0.013 0.000 1.083 138 L CA 1.105 55.936 54.840 -0.015 0.000 0.752 138 L CB -1.012 40.989 42.059 -0.097 0.000 0.899 138 L HN 0.171 nan 8.230 nan 0.000 0.433 139 A N -0.729 122.102 122.820 0.018 0.000 1.858 139 A HA -0.256 4.068 4.320 0.007 0.000 0.216 139 A C 2.310 179.941 177.584 0.079 0.000 1.190 139 A CA 1.741 53.831 52.037 0.087 0.000 0.617 139 A CB -0.577 18.522 19.000 0.165 0.000 0.827 139 A HN 0.396 nan 8.150 nan 0.000 0.443 140 Q N -0.137 119.694 119.800 0.052 0.000 2.020 140 Q HA -0.088 4.256 4.340 0.007 0.000 0.198 140 Q C 2.228 178.262 176.000 0.058 0.000 0.974 140 Q CA 2.111 57.950 55.803 0.059 0.000 0.829 140 Q CB -0.350 28.409 28.738 0.034 0.000 0.894 140 Q HN 0.404 nan 8.270 nan 0.000 0.433 141 V N 1.417 121.365 119.914 0.056 0.000 2.323 141 V HA -0.135 3.989 4.120 0.007 0.000 0.244 141 V C 1.791 177.903 176.094 0.030 0.000 1.041 141 V CA 1.693 64.019 62.300 0.044 0.000 1.025 141 V CB -0.265 31.584 31.823 0.043 0.000 0.656 141 V HN 0.264 nan 8.190 nan 0.000 0.451 142 E N -0.210 120.005 120.200 0.026 0.000 2.474 142 E HA 0.189 4.544 4.350 0.007 0.000 0.195 142 E C 1.752 178.371 176.600 0.031 0.000 1.039 142 E CA 0.727 57.138 56.400 0.018 0.000 0.881 142 E CB 0.366 30.068 29.700 0.003 0.000 0.970 142 E HN 0.617 nan 8.360 nan 0.000 0.486 143 G N 1.671 110.499 108.800 0.048 0.000 2.166 143 G HA2 -0.344 3.621 3.960 0.007 0.000 0.260 143 G HA3 -0.344 3.621 3.960 0.007 0.000 0.260 143 G C 0.593 175.536 174.900 0.071 0.000 0.986 143 G CA 0.470 45.607 45.100 0.062 0.000 0.683 143 G HN 0.512 nan 8.290 nan 0.000 0.527 144 A N -0.870 121.990 122.820 0.066 0.000 2.366 144 A HA 0.684 5.009 4.320 0.007 0.000 0.249 144 A C 0.491 178.150 177.584 0.125 0.000 1.084 144 A CA 0.307 52.388 52.037 0.073 0.000 0.794 144 A CB 1.046 20.070 19.000 0.040 0.000 1.034 144 A HN 1.119 nan 8.150 nan 0.000 0.491 145 V N 2.293 122.289 119.914 0.138 0.000 2.370 145 V HA 0.445 4.569 4.120 0.007 0.000 0.279 145 V C -0.165 176.057 176.094 0.214 0.000 1.029 145 V CA -0.182 62.231 62.300 0.188 0.000 0.870 145 V CB 0.866 32.792 31.823 0.172 0.000 0.984 145 V HN 0.735 nan 8.190 nan 0.000 0.451 146 L N 5.849 127.254 121.223 0.304 0.000 2.365 146 L HA 0.806 5.151 4.340 0.007 0.000 0.273 146 L C -1.011 176.142 176.870 0.471 0.000 1.000 146 L CA -0.333 54.734 54.840 0.379 0.000 0.819 146 L CB 2.042 44.320 42.059 0.365 0.000 1.284 146 L HN 0.447 nan 8.230 nan 0.000 0.418 147 V N 2.993 123.165 119.914 0.429 0.000 2.656 147 V HA 0.700 4.824 4.120 0.007 0.000 0.307 147 V C -0.600 175.743 176.094 0.416 0.000 1.051 147 V CA -0.410 62.098 62.300 0.347 0.000 0.893 147 V CB 2.106 34.061 31.823 0.220 0.000 0.999 147 V HN 0.845 nan 8.190 nan 0.000 0.426 148 S N 5.455 121.396 115.700 0.402 0.000 2.541 148 S HA 0.875 5.349 4.470 0.007 0.000 0.280 148 S C -0.841 173.908 174.600 0.249 0.000 1.112 148 S CA -0.806 57.637 58.200 0.404 0.000 0.925 148 S CB 2.220 65.793 63.200 0.623 0.000 1.067 148 S HN 0.872 nan 8.310 nan 0.000 0.479 149 M N 1.570 121.278 119.600 0.180 0.000 2.602 149 M HA 0.635 5.119 4.480 0.007 0.000 0.312 149 M C -1.631 174.870 176.300 0.334 0.000 1.181 149 M CA -0.524 54.853 55.300 0.128 0.000 0.910 149 M CB 1.337 33.835 32.600 -0.170 0.000 1.723 149 M HN 0.555 nan 8.290 nan 0.000 0.459 150 N N 2.657 121.611 118.700 0.423 0.000 2.530 150 N HA 0.558 5.302 4.740 0.007 0.000 0.277 150 N C -1.360 174.438 175.510 0.480 0.000 1.168 150 N CA 0.168 53.502 53.050 0.474 0.000 0.979 150 N CB 0.563 39.263 38.487 0.355 0.000 1.141 150 N HN 0.730 nan 8.380 nan 0.000 0.459 151 Y N -1.992 118.486 120.300 0.297 0.000 2.562 151 Y HA 0.548 5.102 4.550 0.007 0.000 0.345 151 Y C -0.183 175.856 175.900 0.233 0.000 1.045 151 Y CA -1.327 56.901 58.100 0.213 0.000 1.028 151 Y CB 0.884 39.403 38.460 0.098 0.000 1.297 151 Y HN 0.206 nan 8.280 nan 0.000 0.463 152 R N 1.866 122.494 120.500 0.214 0.000 2.537 152 R HA 0.497 4.842 4.340 0.007 0.000 0.280 152 R C -0.155 176.290 176.300 0.242 0.000 1.058 152 R CA -0.141 56.045 56.100 0.143 0.000 1.057 152 R CB 0.908 31.268 30.300 0.100 0.000 0.973 152 R HN 0.725 nan 8.270 nan 0.000 0.438 153 V N -0.049 120.053 119.914 0.313 0.000 3.229 153 V HA 0.853 4.978 4.120 0.007 0.000 0.310 153 V C 0.844 177.312 176.094 0.623 0.000 1.206 153 V CA -0.172 62.449 62.300 0.534 0.000 1.051 153 V CB 0.969 32.985 31.823 0.322 0.000 1.183 153 V HN 0.950 nan 8.190 nan 0.000 0.466 154 G N 1.386 110.605 108.800 0.699 0.000 2.582 154 G HA2 -0.331 3.633 3.960 0.007 0.000 0.300 154 G HA3 -0.331 3.633 3.960 0.007 0.000 0.300 154 G C 1.086 176.223 174.900 0.396 0.000 1.300 154 G CA 1.938 47.408 45.100 0.616 0.000 0.959 154 G HN 2.362 nan 8.290 nan 0.000 0.548 155 T N -1.842 112.670 114.554 -0.069 0.000 2.699 155 T HA -0.163 4.191 4.350 0.007 0.000 0.268 155 T C 2.135 176.736 174.700 -0.165 0.000 1.036 155 T CA 2.677 64.466 62.100 -0.518 0.000 1.147 155 T CB -0.484 67.915 68.868 -0.782 0.000 0.862 155 T HN 0.594 nan 8.240 nan 0.000 0.446 156 F N 2.153 122.168 119.950 0.109 0.000 2.250 156 F HA 0.202 4.733 4.527 0.007 0.000 0.301 156 F C 2.725 178.527 175.800 0.003 0.000 1.077 156 F CA 0.805 58.810 58.000 0.007 0.000 1.348 156 F CB -0.831 38.146 39.000 -0.038 0.000 1.040 156 F HN 0.395 nan 8.300 nan 0.000 0.509 157 G N -2.143 106.754 108.800 0.162 0.000 2.719 157 G HA2 0.058 4.022 3.960 0.007 0.000 0.211 157 G HA3 0.058 4.022 3.960 0.007 0.000 0.211 157 G C 0.868 175.315 174.900 -0.755 0.000 1.140 157 G CA 0.214 45.130 45.100 -0.307 0.000 0.790 157 G HN 0.364 nan 8.290 nan 0.000 0.529 158 F N -0.804 119.270 119.950 0.207 0.000 2.974 158 F HA 0.407 4.938 4.527 0.008 0.000 0.357 158 F C 0.424 176.349 175.800 0.208 0.000 1.114 158 F CA -0.925 57.185 58.000 0.183 0.000 1.099 158 F CB 0.339 39.462 39.000 0.205 0.000 1.205 158 F HN -0.093 nan 8.300 nan 0.000 0.535 159 L N 2.418 123.763 121.223 0.202 0.000 2.534 159 L HA 0.489 4.833 4.340 0.007 0.000 0.271 159 L C 0.021 176.919 176.870 0.046 0.000 1.178 159 L CA 0.020 54.894 54.840 0.056 0.000 0.907 159 L CB 0.297 42.129 42.059 -0.379 0.000 1.164 159 L HN 0.140 nan 8.230 nan 0.000 0.482 160 A N 6.410 129.290 122.820 0.101 0.000 2.371 160 A HA 0.668 4.992 4.320 0.007 0.000 0.311 160 A C -0.924 176.660 177.584 -0.000 0.000 1.068 160 A CA -0.607 51.452 52.037 0.036 0.000 0.744 160 A CB 1.216 20.258 19.000 0.071 0.000 1.239 160 A HN 0.734 nan 8.150 nan 0.000 0.435 161 L N 3.668 124.869 121.223 -0.036 0.000 2.426 161 L HA 0.310 4.654 4.340 0.007 0.000 0.255 161 L C -2.407 174.458 176.870 -0.009 0.000 1.080 161 L CA -1.710 53.112 54.840 -0.029 0.000 0.960 161 L CB 1.313 43.338 42.059 -0.057 0.000 1.326 161 L HN 0.413 nan 8.230 nan 0.000 0.441 162 P HA 0.103 nan 4.420 nan 0.000 0.263 162 P C 0.945 178.251 177.300 0.010 0.000 1.195 162 P CA 0.694 63.801 63.100 0.013 0.000 0.762 162 P CB 0.996 32.705 31.700 0.015 0.000 0.799 163 G N 1.919 110.728 108.800 0.015 0.000 2.259 163 G HA2 -0.218 3.746 3.960 0.007 0.000 0.217 163 G HA3 -0.218 3.746 3.960 0.007 0.000 0.217 163 G C 0.399 175.307 174.900 0.012 0.000 1.001 163 G CA 0.178 45.286 45.100 0.014 0.000 0.627 163 G HN 0.773 nan 8.290 nan 0.000 0.501 164 S N -0.172 115.533 115.700 0.009 0.000 2.614 164 S HA 0.648 5.123 4.470 0.007 0.000 0.265 164 S C 1.060 175.671 174.600 0.018 0.000 1.303 164 S CA 0.356 58.561 58.200 0.008 0.000 1.000 164 S CB 2.031 65.229 63.200 -0.003 0.000 0.935 164 S HN 0.393 nan 8.310 nan 0.000 0.551 165 R N -0.169 120.344 120.500 0.021 0.000 2.265 165 R HA 0.121 4.466 4.340 0.007 0.000 0.194 165 R C 1.025 177.348 176.300 0.038 0.000 0.931 165 R CA 0.541 56.659 56.100 0.030 0.000 1.032 165 R CB -0.050 30.267 30.300 0.028 0.000 0.980 165 R HN 0.784 nan 8.270 nan 0.000 0.497 166 E N -0.514 119.707 120.200 0.035 0.000 2.385 166 E HA 0.103 4.457 4.350 0.007 0.000 0.194 166 E C -0.130 176.513 176.600 0.072 0.000 1.013 166 E CA 0.580 57.012 56.400 0.054 0.000 0.866 166 E CB 1.027 30.755 29.700 0.046 0.000 0.832 166 E HN 0.193 nan 8.360 nan 0.000 0.500 167 A N 0.864 123.705 122.820 0.035 0.000 3.422 167 A HA 0.254 4.579 4.320 0.007 0.000 0.271 167 A C -2.216 175.376 177.584 0.014 0.000 1.104 167 A CA -0.837 51.211 52.037 0.018 0.000 0.899 167 A CB 0.422 19.355 19.000 -0.113 0.000 1.309 167 A HN -0.075 nan 8.150 nan 0.000 0.580 168 P HA 0.178 nan 4.420 nan 0.000 0.236 168 P C 0.935 178.262 177.300 0.044 0.000 1.177 168 P CA 1.692 64.817 63.100 0.041 0.000 0.773 168 P CB 0.237 31.969 31.700 0.053 0.000 0.878 169 G N 0.938 109.764 108.800 0.043 0.000 2.756 169 G HA2 -0.206 3.758 3.960 0.007 0.000 0.678 169 G HA3 -0.206 3.758 3.960 0.007 0.000 0.678 169 G C -0.032 174.875 174.900 0.012 0.000 1.349 169 G CA -0.271 44.859 45.100 0.051 0.000 0.847 169 G HN 0.137 nan 8.290 nan 0.000 0.548 170 N N -2.307 116.398 118.700 0.008 0.000 2.678 170 N HA -0.294 4.450 4.740 0.007 0.000 0.250 170 N C 1.918 177.283 175.510 -0.241 0.000 1.136 170 N CA 2.384 55.365 53.050 -0.115 0.000 0.757 170 N CB -1.503 36.845 38.487 -0.233 0.000 1.135 170 N HN 1.914 nan 8.380 nan 0.000 0.565 171 V N -2.652 117.129 119.914 -0.221 0.000 2.759 171 V HA 0.011 4.136 4.120 0.007 0.000 0.256 171 V C 2.292 178.257 176.094 -0.216 0.000 1.080 171 V CA 2.210 64.419 62.300 -0.151 0.000 1.101 171 V CB -0.815 30.971 31.823 -0.061 0.000 0.698 171 V HN 0.263 nan 8.190 nan 0.000 0.477 172 G N 0.672 109.140 108.800 -0.555 0.000 2.418 172 G HA2 -0.163 3.801 3.960 0.007 0.000 0.217 172 G HA3 -0.163 3.801 3.960 0.007 0.000 0.217 172 G C 1.532 176.407 174.900 -0.041 0.000 1.158 172 G CA 1.231 46.112 45.100 -0.366 0.000 0.771 172 G HN 0.541 nan 8.290 nan 0.000 0.545 173 L N -0.107 121.034 121.223 -0.136 0.000 2.093 173 L HA 0.029 4.373 4.340 0.007 0.000 0.208 173 L C 2.861 179.745 176.870 0.024 0.000 1.085 173 L CA 0.460 55.188 54.840 -0.186 0.000 0.755 173 L CB -0.364 41.233 42.059 -0.772 0.000 0.904 173 L HN 0.179 nan 8.230 nan 0.000 0.435 174 L N -0.489 120.748 121.223 0.023 0.000 2.131 174 L HA -0.212 4.133 4.340 0.007 0.000 0.210 174 L C 2.208 179.201 176.870 0.206 0.000 1.092 174 L CA 0.848 55.799 54.840 0.185 0.000 0.759 174 L CB -0.660 41.487 42.059 0.148 0.000 0.903 174 L HN 0.293 nan 8.230 nan 0.000 0.435 175 D N 0.030 120.542 120.400 0.187 0.000 2.104 175 D HA -0.218 4.426 4.640 0.007 0.000 0.194 175 D C 2.267 178.753 176.300 0.310 0.000 0.994 175 D CA 1.265 55.464 54.000 0.332 0.000 0.830 175 D CB -0.230 40.778 40.800 0.347 0.000 0.959 175 D HN 0.415 nan 8.370 nan 0.000 0.452 176 Q N 0.016 119.912 119.800 0.160 0.000 2.084 176 Q HA -0.110 4.235 4.340 0.007 0.000 0.202 176 Q C 2.300 178.304 176.000 0.008 0.000 0.978 176 Q CA 0.911 56.721 55.803 0.011 0.000 0.844 176 Q CB -0.048 28.686 28.738 -0.007 0.000 0.898 176 Q HN 0.208 nan 8.270 nan 0.000 0.426 177 R N 0.638 121.252 120.500 0.190 0.000 2.096 177 R HA -0.158 4.186 4.340 0.007 0.000 0.235 177 R C 2.200 178.583 176.300 0.138 0.000 1.127 177 R CA 0.886 57.093 56.100 0.178 0.000 0.968 177 R CB -0.185 30.322 30.300 0.345 0.000 0.861 177 R HN 0.215 nan 8.270 nan 0.000 0.440 178 L N 0.785 122.127 121.223 0.199 0.000 2.046 178 L HA -0.060 4.284 4.340 0.007 0.000 0.208 178 L C 2.261 179.239 176.870 0.180 0.000 1.077 178 L CA 2.135 57.128 54.840 0.255 0.000 0.747 178 L CB -0.562 41.737 42.059 0.399 0.000 0.896 178 L HN 0.250 nan 8.230 nan 0.000 0.432 179 A N -0.845 121.897 122.820 -0.130 0.000 2.015 179 A HA -0.100 4.224 4.320 0.007 0.000 0.219 179 A C 2.189 179.743 177.584 -0.050 0.000 1.163 179 A CA 1.567 53.356 52.037 -0.415 0.000 0.646 179 A CB -0.709 17.708 19.000 -0.970 0.000 0.806 179 A HN 0.504 nan 8.150 nan 0.000 0.448 180 L N -1.213 119.994 121.223 -0.027 0.000 2.056 180 L HA -0.220 4.124 4.340 0.007 0.000 0.207 180 L C 2.794 179.729 176.870 0.108 0.000 1.078 180 L CA 1.511 56.368 54.840 0.029 0.000 0.749 180 L CB -0.860 41.178 42.059 -0.035 0.000 0.901 180 L HN 0.469 nan 8.230 nan 0.000 0.433 181 Q N -0.798 119.078 119.800 0.127 0.000 2.096 181 Q HA -0.273 4.071 4.340 0.007 0.000 0.204 181 Q C 2.021 178.125 176.000 0.173 0.000 0.982 181 Q CA 2.218 58.103 55.803 0.137 0.000 0.850 181 Q CB -0.323 28.502 28.738 0.144 0.000 0.901 181 Q HN 0.509 nan 8.270 nan 0.000 0.422 182 W N 0.341 121.673 121.300 0.054 0.000 2.335 182 W HA -0.254 4.410 4.660 0.007 0.000 0.311 182 W C 1.903 178.462 176.519 0.066 0.000 1.213 182 W CA 1.487 58.878 57.345 0.077 0.000 1.274 182 W CB -0.236 29.271 29.460 0.079 0.000 1.148 182 W HN -0.122 nan 8.180 nan 0.000 0.498 183 V N 0.911 121.060 119.914 0.390 0.000 2.343 183 V HA -0.356 3.769 4.120 0.007 0.000 0.247 183 V C 2.564 178.687 176.094 0.048 0.000 1.051 183 V CA 2.104 64.551 62.300 0.244 0.000 1.036 183 V CB -0.982 30.995 31.823 0.257 0.000 0.654 183 V HN 0.234 nan 8.190 nan 0.000 0.451 184 Q N -0.252 119.581 119.800 0.054 0.000 2.061 184 Q HA -0.275 4.070 4.340 0.007 0.000 0.204 184 Q C 2.263 178.236 176.000 -0.046 0.000 0.984 184 Q CA 2.236 58.053 55.803 0.023 0.000 0.846 184 Q CB -0.280 28.481 28.738 0.038 0.000 0.902 184 Q HN 0.801 nan 8.270 nan 0.000 0.421 185 E N -0.211 119.923 120.200 -0.109 0.000 2.112 185 E HA -0.078 4.276 4.350 0.007 0.000 0.190 185 E C 1.349 177.796 176.600 -0.255 0.000 0.979 185 E CA 0.692 56.996 56.400 -0.160 0.000 0.814 185 E CB 0.292 29.896 29.700 -0.159 0.000 0.762 185 E HN 0.286 nan 8.360 nan 0.000 0.460 186 N N 0.041 118.473 118.700 -0.448 0.000 2.348 186 N HA -0.025 4.720 4.740 0.007 0.000 0.183 186 N C 1.604 176.972 175.510 -0.238 0.000 1.094 186 N CA 0.105 52.826 53.050 -0.548 0.000 0.885 186 N CB 0.230 37.949 38.487 -1.280 0.000 1.065 186 N HN 0.135 nan 8.380 nan 0.000 0.472 187 I N 2.430 122.927 120.570 -0.121 0.000 2.423 187 I HA -0.160 4.015 4.170 0.007 0.000 0.254 187 I C 2.114 178.331 176.117 0.168 0.000 1.151 187 I CA 0.534 61.914 61.300 0.133 0.000 1.421 187 I CB -0.354 37.721 38.000 0.125 0.000 1.079 187 I HN 0.049 nan 8.210 nan 0.000 0.431 188 A N 0.079 122.924 122.820 0.040 0.000 2.019 188 A HA -0.064 4.261 4.320 0.007 0.000 0.219 188 A C 2.471 180.035 177.584 -0.034 0.000 1.164 188 A CA 1.401 53.446 52.037 0.013 0.000 0.644 188 A CB -1.002 17.983 19.000 -0.024 0.000 0.805 188 A HN 0.458 nan 8.150 nan 0.000 0.449 189 A N -1.378 121.372 122.820 -0.116 0.000 2.076 189 A HA 0.031 4.355 4.320 0.007 0.000 0.220 189 A C 1.545 178.866 177.584 -0.438 0.000 1.160 189 A CA 1.280 53.123 52.037 -0.322 0.000 0.653 189 A CB -0.639 18.061 19.000 -0.499 0.000 0.801 189 A HN 0.518 nan 8.150 nan 0.000 0.455 190 F N -1.605 118.291 119.950 -0.090 0.000 2.695 190 F HA 0.388 4.919 4.527 0.007 0.000 0.303 190 F C 1.758 177.560 175.800 0.004 0.000 1.091 190 F CA 0.526 58.490 58.000 -0.060 0.000 1.300 190 F CB 0.359 39.338 39.000 -0.034 0.000 1.071 190 F HN 0.318 nan 8.300 nan 0.000 0.578 191 G N 0.411 109.287 108.800 0.127 0.000 2.141 191 G HA2 -0.176 3.788 3.960 0.007 0.000 0.231 191 G HA3 -0.176 3.788 3.960 0.007 0.000 0.231 191 G C 0.609 175.572 174.900 0.106 0.000 0.984 191 G CA -0.277 44.878 45.100 0.091 0.000 0.660 191 G HN 0.707 nan 8.290 nan 0.000 0.525 192 G N -0.429 108.455 108.800 0.139 0.000 2.476 192 G HA2 0.468 4.433 3.960 0.007 0.000 0.269 192 G HA3 0.468 4.433 3.960 0.007 0.000 0.269 192 G C -0.577 174.370 174.900 0.078 0.000 1.195 192 G CA 0.314 45.485 45.100 0.118 0.000 0.843 192 G HN 0.253 nan 8.290 nan 0.000 0.545 193 D N 1.704 122.142 120.400 0.062 0.000 2.428 193 D HA 0.274 4.918 4.640 0.007 0.000 0.221 193 D C -1.061 175.270 176.300 0.052 0.000 1.123 193 D CA -2.420 51.602 54.000 0.035 0.000 0.869 193 D CB 1.768 42.572 40.800 0.007 0.000 1.032 193 D HN 0.051 nan 8.370 nan 0.000 0.506 194 P HA -0.107 nan 4.420 nan 0.000 0.225 194 P C 1.267 178.655 177.300 0.146 0.000 1.148 194 P CA 0.680 63.837 63.100 0.095 0.000 0.779 194 P CB 0.197 31.933 31.700 0.060 0.000 0.780 195 M N -1.026 118.600 119.600 0.043 0.000 2.618 195 M HA 0.059 4.543 4.480 0.007 0.000 0.240 195 M C 0.509 176.523 176.300 -0.475 0.000 1.123 195 M CA 0.469 55.713 55.300 -0.093 0.000 1.060 195 M CB 0.078 32.609 32.600 -0.115 0.000 1.535 195 M HN -0.189 nan 8.290 nan 0.000 0.507 196 S N 0.475 116.076 115.700 -0.166 0.000 2.496 196 S HA 0.480 4.954 4.470 0.007 0.000 0.221 196 S C -1.200 173.473 174.600 0.121 0.000 1.260 196 S CA -0.627 57.489 58.200 -0.140 0.000 1.181 196 S CB 0.569 63.694 63.200 -0.126 0.000 1.136 196 S HN -0.052 nan 8.310 nan 0.000 0.467 197 V N 4.330 124.471 119.914 0.378 0.000 2.483 197 V HA 0.549 4.673 4.120 0.007 0.000 0.297 197 V C -0.216 176.058 176.094 0.300 0.000 1.027 197 V CA -0.491 61.989 62.300 0.301 0.000 0.855 197 V CB 2.103 34.101 31.823 0.292 0.000 0.995 197 V HN 0.790 nan 8.190 nan 0.000 0.424 198 T N 6.412 121.092 114.554 0.209 0.000 2.770 198 T HA 0.605 4.959 4.350 0.007 0.000 0.283 198 T C -0.194 174.636 174.700 0.218 0.000 0.988 198 T CA -0.374 61.852 62.100 0.210 0.000 0.957 198 T CB 0.929 69.873 68.868 0.127 0.000 0.930 198 T HN 0.347 nan 8.240 nan 0.000 0.443 199 L N 4.762 126.081 121.223 0.161 0.000 2.371 199 L HA 0.646 4.990 4.340 0.007 0.000 0.272 199 L C -0.129 176.942 176.870 0.334 0.000 1.124 199 L CA -0.698 54.211 54.840 0.114 0.000 0.816 199 L CB 0.216 42.129 42.059 -0.244 0.000 1.129 199 L HN 0.708 nan 8.230 nan 0.000 0.448 200 F N -0.029 119.986 119.950 0.107 0.000 2.613 200 F HA 0.946 5.477 4.527 0.007 0.000 0.310 200 F C -0.200 175.595 175.800 -0.008 0.000 1.085 200 F CA -0.777 57.334 58.000 0.184 0.000 0.945 200 F CB 2.252 41.500 39.000 0.413 0.000 1.298 200 F HN 0.492 nan 8.300 nan 0.000 0.455 201 G N 1.327 109.995 108.800 -0.220 0.000 2.632 201 G HA2 0.439 4.403 3.960 0.007 0.000 0.292 201 G HA3 0.439 4.403 3.960 0.007 0.000 0.292 201 G C -2.672 172.020 174.900 -0.346 0.000 1.465 201 G CA -0.713 43.875 45.100 -0.855 0.000 0.824 201 G HN 0.836 nan 8.290 nan 0.000 0.509 202 E N 0.607 120.567 120.200 -0.400 0.000 2.244 202 E HA 0.665 5.020 4.350 0.007 0.000 0.266 202 E C 0.797 177.349 176.600 -0.081 0.000 0.914 202 E CA 0.277 56.669 56.400 -0.014 0.000 0.794 202 E CB 2.117 31.956 29.700 0.233 0.000 1.210 202 E HN 0.773 nan 8.360 nan 0.000 0.414 203 S N 2.077 117.793 115.700 0.027 0.000 4.054 203 S HA -0.395 4.079 4.470 0.007 0.000 0.618 203 S C 1.478 176.162 174.600 0.139 0.000 2.026 203 S CA 2.075 60.358 58.200 0.140 0.000 4.205 203 S CB -1.568 61.636 63.200 0.008 0.000 0.233 203 S HN 0.959 nan 8.310 nan 0.000 0.612 204 A N 0.867 123.647 122.820 -0.067 0.000 1.986 204 A HA 0.018 4.343 4.320 0.007 0.000 0.220 204 A C 2.477 179.809 177.584 -0.419 0.000 1.171 204 A CA 2.739 54.533 52.037 -0.405 0.000 0.640 204 A CB -1.659 16.677 19.000 -1.107 0.000 0.811 204 A HN 1.594 nan 8.150 nan 0.000 0.451 205 G N -0.643 107.948 108.800 -0.348 0.000 2.421 205 G HA2 0.005 3.969 3.960 0.007 0.000 0.216 205 G HA3 0.005 3.969 3.960 0.007 0.000 0.216 205 G C 1.775 176.496 174.900 -0.299 0.000 1.171 205 G CA 1.434 46.270 45.100 -0.439 0.000 0.775 205 G HN 0.820 nan 8.290 nan 0.000 0.543 206 A N 1.393 124.114 122.820 -0.165 0.000 1.865 206 A HA 0.166 4.490 4.320 0.007 0.000 0.217 206 A C 2.862 180.434 177.584 -0.020 0.000 1.191 206 A CA 2.611 54.619 52.037 -0.048 0.000 0.623 206 A CB -1.030 18.002 19.000 0.052 0.000 0.826 206 A HN 0.912 nan 8.150 nan 0.000 0.444 207 A N -0.597 122.240 122.820 0.029 0.000 1.940 207 A HA -0.117 4.208 4.320 0.007 0.000 0.219 207 A C 2.440 180.051 177.584 0.045 0.000 1.176 207 A CA 2.258 54.314 52.037 0.031 0.000 0.631 207 A CB -0.907 18.144 19.000 0.086 0.000 0.814 207 A HN 0.486 nan 8.150 nan 0.000 0.446 208 S N -0.546 115.174 115.700 0.034 0.000 2.368 208 S HA -0.125 4.349 4.470 0.007 0.000 0.225 208 S C 1.902 176.489 174.600 -0.021 0.000 1.030 208 S CA 1.341 59.530 58.200 -0.018 0.000 0.999 208 S CB -0.524 62.604 63.200 -0.120 0.000 0.844 208 S HN 0.357 nan 8.310 nan 0.000 0.459 209 V N 1.877 121.776 119.914 -0.025 0.000 2.255 209 V HA -0.199 3.925 4.120 0.007 0.000 0.247 209 V C 2.692 178.788 176.094 0.003 0.000 1.051 209 V CA 2.061 64.348 62.300 -0.021 0.000 1.018 209 V CB -1.600 30.178 31.823 -0.076 0.000 0.641 209 V HN 0.594 nan 8.190 nan 0.000 0.445 210 G N -0.906 107.890 108.800 -0.007 0.000 2.469 210 G HA2 -0.335 3.629 3.960 0.007 0.000 0.220 210 G HA3 -0.335 3.629 3.960 0.007 0.000 0.220 210 G C 1.613 176.529 174.900 0.027 0.000 1.136 210 G CA 1.401 46.500 45.100 -0.001 0.000 0.759 210 G HN 0.469 nan 8.290 nan 0.000 0.562 211 M N -0.389 119.210 119.600 -0.002 0.000 2.319 211 M HA 0.054 4.539 4.480 0.007 0.000 0.265 211 M C 2.250 178.592 176.300 0.070 0.000 1.068 211 M CA 0.739 56.058 55.300 0.032 0.000 1.118 211 M CB -0.133 32.467 32.600 -0.000 0.000 1.395 211 M HN 0.217 nan 8.290 nan 0.000 0.435 212 H N -0.165 119.004 119.070 0.165 0.000 2.423 212 H HA -0.002 4.558 4.556 0.007 0.000 0.297 212 H C 2.106 177.615 175.328 0.301 0.000 1.075 212 H CA 1.399 57.553 56.048 0.177 0.000 1.342 212 H CB -0.248 29.498 29.762 -0.026 0.000 1.395 212 H HN 0.407 nan 8.280 nan 0.000 0.530 213 I N 0.661 121.466 120.570 0.392 0.000 2.286 213 I HA -0.234 3.940 4.170 0.007 0.000 0.248 213 I C 1.810 178.092 176.117 0.274 0.000 1.115 213 I CA 1.097 62.644 61.300 0.410 0.000 1.392 213 I CB -0.056 38.104 38.000 0.267 0.000 1.065 213 I HN 0.107 nan 8.210 nan 0.000 0.418 214 L N -0.930 120.407 121.223 0.190 0.000 2.607 214 L HA 0.123 4.468 4.340 0.007 0.000 0.228 214 L C 0.892 177.799 176.870 0.062 0.000 1.123 214 L CA 0.025 54.957 54.840 0.153 0.000 0.890 214 L CB 0.139 42.272 42.059 0.124 0.000 1.103 214 L HN 0.001 nan 8.230 nan 0.000 0.468 215 S N -0.047 115.657 115.700 0.007 0.000 2.520 215 S HA 0.251 4.725 4.470 0.007 0.000 0.324 215 S C 0.766 175.290 174.600 -0.126 0.000 1.069 215 S CA -0.583 57.500 58.200 -0.194 0.000 1.121 215 S CB 1.212 64.020 63.200 -0.654 0.000 0.971 215 S HN 0.247 nan 8.310 nan 0.000 0.463 216 L N 6.657 127.818 121.223 -0.102 0.000 2.043 216 L HA 0.033 4.377 4.340 0.007 0.000 0.212 216 L C -0.996 175.838 176.870 -0.062 0.000 1.075 216 L CA 1.728 56.530 54.840 -0.063 0.000 0.752 216 L CB -0.638 41.385 42.059 -0.059 0.000 0.891 216 L HN 0.493 nan 8.230 nan 0.000 0.432 217 P HA -0.074 nan 4.420 nan 0.000 0.225 217 P C 1.366 178.669 177.300 0.004 0.000 1.148 217 P CA 1.104 64.175 63.100 -0.048 0.000 0.779 217 P CB 0.106 31.770 31.700 -0.060 0.000 0.780 218 S N -1.079 114.643 115.700 0.037 0.000 2.501 218 S HA 0.044 4.518 4.470 0.007 0.000 0.220 218 S C 1.782 176.497 174.600 0.192 0.000 0.997 218 S CA 0.255 58.570 58.200 0.192 0.000 0.919 218 S CB -0.252 63.187 63.200 0.398 0.000 0.778 218 S HN 0.052 nan 8.310 nan 0.000 0.523 219 R N 2.110 122.630 120.500 0.033 0.000 2.120 219 R HA 0.022 4.367 4.340 0.007 0.000 0.234 219 R C 2.197 178.310 176.300 -0.312 0.000 1.123 219 R CA 1.323 57.309 56.100 -0.191 0.000 0.975 219 R CB -1.236 28.985 30.300 -0.132 0.000 0.866 219 R HN 0.549 nan 8.270 nan 0.000 0.446 220 S N -0.152 115.453 115.700 -0.157 0.000 2.650 220 S HA 0.103 4.577 4.470 0.007 0.000 0.219 220 S C 1.628 176.136 174.600 -0.153 0.000 0.960 220 S CA 0.166 58.273 58.200 -0.155 0.000 0.925 220 S CB -0.169 62.988 63.200 -0.071 0.000 0.775 220 S HN 0.201 nan 8.310 nan 0.000 0.525 221 L N 0.187 121.346 121.223 -0.106 0.000 2.616 221 L HA 0.478 4.823 4.340 0.007 0.000 0.229 221 L C 0.077 176.978 176.870 0.051 0.000 1.110 221 L CA -0.236 54.613 54.840 0.015 0.000 0.884 221 L CB 0.033 42.162 42.059 0.116 0.000 1.115 221 L HN 0.530 nan 8.230 nan 0.000 0.481 222 F N -4.160 115.600 119.950 -0.317 0.000 2.741 222 F HA 0.458 4.989 4.527 0.006 0.000 0.313 222 F C 0.371 175.852 175.800 -0.530 0.000 1.153 222 F CA -0.984 56.815 58.000 -0.336 0.000 0.931 222 F CB 0.823 39.764 39.000 -0.097 0.000 1.335 222 F HN -0.154 nan 8.300 nan 0.000 0.460 223 H N -0.578 118.533 119.070 0.068 0.000 3.091 223 H HA 0.440 5.000 4.556 0.007 0.000 0.249 223 H C -0.125 175.220 175.328 0.028 0.000 0.985 223 H CA -0.037 55.971 56.048 -0.065 0.000 1.177 223 H CB 0.999 30.736 29.762 -0.043 0.000 1.456 223 H HN 0.418 nan 8.280 nan 0.000 0.467 224 R N 0.268 120.956 120.500 0.312 0.000 2.808 224 R HA 0.717 5.061 4.340 0.007 0.000 0.272 224 R C -1.395 175.164 176.300 0.432 0.000 0.995 224 R CA -0.651 55.608 56.100 0.265 0.000 0.917 224 R CB 2.955 33.225 30.300 -0.049 0.000 1.217 224 R HN 0.147 nan 8.270 nan 0.000 0.471 225 A N 1.216 124.301 122.820 0.441 0.000 2.486 225 A HA 0.657 4.981 4.320 0.007 0.000 0.300 225 A C -1.455 176.286 177.584 0.261 0.000 1.048 225 A CA -0.604 51.625 52.037 0.320 0.000 0.696 225 A CB 1.890 21.041 19.000 0.251 0.000 1.278 225 A HN 0.325 nan 8.150 nan 0.000 0.405 226 V N 2.386 122.415 119.914 0.192 0.000 2.407 226 V HA 0.454 4.578 4.120 0.007 0.000 0.291 226 V C -1.073 175.116 176.094 0.158 0.000 1.018 226 V CA -0.272 62.086 62.300 0.097 0.000 0.842 226 V CB 1.132 33.033 31.823 0.130 0.000 0.996 226 V HN 0.681 nan 8.190 nan 0.000 0.426 227 L N 5.306 126.590 121.223 0.101 0.000 2.295 227 L HA 0.503 4.847 4.340 0.007 0.000 0.281 227 L C 0.148 177.122 176.870 0.173 0.000 1.018 227 L CA 0.138 55.039 54.840 0.102 0.000 0.841 227 L CB 1.345 43.420 42.059 0.028 0.000 1.218 227 L HN 0.618 nan 8.230 nan 0.000 0.424 228 Q N 1.941 121.892 119.800 0.252 0.000 2.331 228 Q HA 0.375 4.719 4.340 0.007 0.000 0.257 228 Q C 0.332 176.469 176.000 0.228 0.000 0.957 228 Q CA -0.467 55.543 55.803 0.345 0.000 0.923 228 Q CB 1.205 30.231 28.738 0.481 0.000 1.212 228 Q HN 0.633 nan 8.270 nan 0.000 0.443 229 S N 1.132 116.954 115.700 0.204 0.000 3.549 229 S HA -0.188 4.286 4.470 0.007 0.000 0.366 229 S C 0.044 174.833 174.600 0.315 0.000 1.012 229 S CA 0.579 58.920 58.200 0.236 0.000 1.141 229 S CB -1.148 62.196 63.200 0.240 0.000 0.910 229 S HN 0.972 nan 8.310 nan 0.000 0.471 230 G N -0.616 108.326 108.800 0.238 0.000 2.579 230 G HA2 0.661 4.625 3.960 0.007 0.000 0.292 230 G HA3 0.661 4.625 3.960 0.007 0.000 0.292 230 G C -0.935 174.032 174.900 0.112 0.000 1.484 230 G CA 0.175 45.461 45.100 0.310 0.000 0.813 230 G HN 0.959 nan 8.290 nan 0.000 0.515 231 T N -1.683 112.877 114.554 0.010 0.000 2.853 231 T HA 0.737 5.091 4.350 0.007 0.000 0.311 231 T C -2.428 172.140 174.700 -0.220 0.000 1.307 231 T CA -1.187 60.848 62.100 -0.107 0.000 1.019 231 T CB 2.949 71.739 68.868 -0.131 0.000 1.264 231 T HN 0.302 nan 8.240 nan 0.000 0.497 232 P HA 0.006 nan 4.420 nan 0.000 0.219 232 P C 0.330 177.486 177.300 -0.239 0.000 1.154 232 P CA 0.606 63.596 63.100 -0.184 0.000 0.826 232 P CB -0.113 31.531 31.700 -0.094 0.000 0.795 233 N N 0.859 119.435 118.700 -0.206 0.000 2.317 233 N HA 0.264 5.008 4.740 0.007 0.000 0.245 233 N C 0.816 176.134 175.510 -0.321 0.000 1.294 233 N CA 0.794 53.718 53.050 -0.209 0.000 0.924 233 N CB -0.008 38.394 38.487 -0.141 0.000 1.186 233 N HN 0.236 nan 8.380 nan 0.000 0.495 234 G N -0.933 107.689 108.800 -0.296 0.000 2.462 234 G HA2 -0.100 3.865 3.960 0.007 0.000 0.685 234 G HA3 -0.100 3.865 3.960 0.007 0.000 0.685 234 G C -2.375 172.288 174.900 -0.395 0.000 1.295 234 G CA -0.212 44.660 45.100 -0.381 0.000 0.941 234 G HN 0.550 nan 8.290 nan 0.000 0.554 235 P HA 0.164 nan 4.420 nan 0.000 0.251 235 P C 1.344 178.578 177.300 -0.111 0.000 1.223 235 P CA 1.668 64.625 63.100 -0.238 0.000 0.796 235 P CB -0.024 31.499 31.700 -0.295 0.000 1.068 236 W N -1.605 119.617 121.300 -0.130 0.000 2.873 236 W HA 0.544 5.207 4.660 0.006 0.000 0.282 236 W C 1.037 177.645 176.519 0.149 0.000 1.118 236 W CA 0.448 57.804 57.345 0.018 0.000 1.480 236 W CB -0.740 28.789 29.460 0.115 0.000 0.954 236 W HN -0.179 nan 8.180 nan 0.000 0.591 237 A N 2.013 124.519 122.820 -0.523 0.000 2.119 237 A HA 0.129 4.454 4.320 0.007 0.000 0.216 237 A C 1.129 178.571 177.584 -0.237 0.000 1.152 237 A CA 1.815 53.622 52.037 -0.384 0.000 0.708 237 A CB -0.806 17.732 19.000 -0.771 0.000 0.805 237 A HN 0.258 nan 8.150 nan 0.000 0.460 238 T N -3.287 111.148 114.554 -0.198 0.000 2.865 238 T HA 0.626 4.980 4.350 0.007 0.000 0.294 238 T C -0.712 173.925 174.700 -0.106 0.000 1.119 238 T CA -0.131 61.868 62.100 -0.169 0.000 1.007 238 T CB 1.501 70.278 68.868 -0.152 0.000 1.225 238 T HN 0.871 nan 8.240 nan 0.000 0.515 239 V N -1.265 118.596 119.914 -0.088 0.000 3.007 239 V HA 0.874 4.998 4.120 0.007 0.000 0.311 239 V C 0.317 176.381 176.094 -0.049 0.000 1.120 239 V CA -0.867 61.394 62.300 -0.064 0.000 0.980 239 V CB 1.281 33.067 31.823 -0.062 0.000 1.033 239 V HN 1.393 nan 8.190 nan 0.000 0.429 240 S N 2.310 117.984 115.700 -0.044 0.000 2.580 240 S HA 0.499 4.973 4.470 0.007 0.000 0.266 240 S C 1.473 176.060 174.600 -0.022 0.000 1.354 240 S CA 0.212 58.393 58.200 -0.031 0.000 1.008 240 S CB 1.154 64.335 63.200 -0.032 0.000 0.898 240 S HN 2.029 nan 8.310 nan 0.000 0.555 241 A N 2.591 125.403 122.820 -0.012 0.000 1.908 241 A HA 0.092 4.416 4.320 0.007 0.000 0.218 241 A C 2.262 179.841 177.584 -0.009 0.000 1.181 241 A CA 1.868 53.903 52.037 -0.004 0.000 0.627 241 A CB -1.922 17.078 19.000 0.001 0.000 0.818 241 A HN 1.206 nan 8.150 nan 0.000 0.445 242 G N -0.350 108.440 108.800 -0.015 0.000 2.491 242 G HA2 -0.313 3.651 3.960 0.007 0.000 0.218 242 G HA3 -0.313 3.651 3.960 0.007 0.000 0.218 242 G C 1.471 176.355 174.900 -0.025 0.000 1.180 242 G CA 1.497 46.586 45.100 -0.019 0.000 0.774 242 G HN 0.578 nan 8.290 nan 0.000 0.562 243 E N 1.010 121.189 120.200 -0.034 0.000 2.077 243 E HA -0.005 4.349 4.350 0.007 0.000 0.193 243 E C 2.678 179.248 176.600 -0.051 0.000 0.989 243 E CA 1.612 57.982 56.400 -0.050 0.000 0.800 243 E CB -0.656 29.007 29.700 -0.062 0.000 0.746 243 E HN 0.307 nan 8.360 nan 0.000 0.452 244 A N 0.695 123.497 122.820 -0.031 0.000 1.933 244 A HA -0.173 4.152 4.320 0.007 0.000 0.218 244 A C 2.280 179.876 177.584 0.021 0.000 1.175 244 A CA 1.713 53.749 52.037 -0.001 0.000 0.628 244 A CB -0.611 18.408 19.000 0.032 0.000 0.814 244 A HN 0.277 nan 8.150 nan 0.000 0.444 245 R N -0.469 120.034 120.500 0.005 0.000 2.081 245 R HA -0.133 4.211 4.340 0.007 0.000 0.235 245 R C 2.435 178.734 176.300 -0.001 0.000 1.131 245 R CA 1.630 57.732 56.100 0.003 0.000 0.960 245 R CB -0.311 29.986 30.300 -0.006 0.000 0.856 245 R HN 0.530 nan 8.270 nan 0.000 0.436 246 R N 0.328 120.819 120.500 -0.015 0.000 2.073 246 R HA -0.132 4.212 4.340 0.007 0.000 0.234 246 R C 2.263 178.553 176.300 -0.015 0.000 1.134 246 R CA 1.772 57.859 56.100 -0.022 0.000 0.952 246 R CB -0.078 30.200 30.300 -0.037 0.000 0.850 246 R HN 0.257 nan 8.270 nan 0.000 0.433 247 R N -0.203 120.279 120.500 -0.030 0.000 2.066 247 R HA -0.069 4.275 4.340 0.007 0.000 0.232 247 R C 2.392 178.779 176.300 0.145 0.000 1.131 247 R CA 1.374 57.452 56.100 -0.035 0.000 0.955 247 R CB -0.397 29.759 30.300 -0.240 0.000 0.851 247 R HN 0.247 nan 8.270 nan 0.000 0.432 248 A N 0.632 123.568 122.820 0.194 0.000 1.883 248 A HA -0.181 4.143 4.320 0.007 0.000 0.217 248 A C 2.199 179.814 177.584 0.051 0.000 1.186 248 A CA 2.124 54.258 52.037 0.162 0.000 0.624 248 A CB -0.929 18.100 19.000 0.048 0.000 0.822 248 A HN 0.318 nan 8.150 nan 0.000 0.444 249 T N 0.070 114.638 114.554 0.023 0.000 2.708 249 T HA -0.134 4.221 4.350 0.007 0.000 0.266 249 T C 1.844 176.548 174.700 0.007 0.000 1.037 249 T CA 1.464 63.563 62.100 -0.002 0.000 1.146 249 T CB -0.415 68.448 68.868 -0.009 0.000 0.865 249 T HN 0.296 nan 8.240 nan 0.000 0.435 250 L N 1.169 122.405 121.223 0.021 0.000 2.012 250 L HA 0.037 4.382 4.340 0.007 0.000 0.210 250 L C 2.250 179.146 176.870 0.042 0.000 1.073 250 L CA 1.518 56.372 54.840 0.023 0.000 0.748 250 L CB -1.099 40.971 42.059 0.018 0.000 0.891 250 L HN 0.219 nan 8.230 nan 0.000 0.431 251 L N -0.296 120.987 121.223 0.101 0.000 2.012 251 L HA -0.168 4.176 4.340 0.007 0.000 0.210 251 L C 2.544 179.421 176.870 0.011 0.000 1.073 251 L CA 2.096 57.003 54.840 0.112 0.000 0.748 251 L CB -0.850 41.339 42.059 0.217 0.000 0.891 251 L HN 0.322 nan 8.230 nan 0.000 0.431 252 A N -0.209 122.605 122.820 -0.010 0.000 1.869 252 A HA -0.317 4.008 4.320 0.007 0.000 0.218 252 A C 2.413 179.971 177.584 -0.044 0.000 1.203 252 A CA 2.351 54.364 52.037 -0.040 0.000 0.638 252 A CB -0.794 18.178 19.000 -0.048 0.000 0.831 252 A HN 0.525 nan 8.150 nan 0.000 0.450 253 R N -0.841 119.638 120.500 -0.036 0.000 2.096 253 R HA -0.143 4.201 4.340 0.007 0.000 0.240 253 R C 2.155 178.410 176.300 -0.075 0.000 1.139 253 R CA 1.716 57.791 56.100 -0.043 0.000 0.952 253 R CB -0.684 29.598 30.300 -0.030 0.000 0.854 253 R HN 0.579 nan 8.270 nan 0.000 0.436 254 L N 0.723 121.887 121.223 -0.099 0.000 2.187 254 L HA -0.139 4.206 4.340 0.007 0.000 0.213 254 L C 2.048 178.693 176.870 -0.374 0.000 1.100 254 L CA 0.940 55.652 54.840 -0.213 0.000 0.765 254 L CB -0.281 41.660 42.059 -0.197 0.000 0.904 254 L HN 0.183 nan 8.230 nan 0.000 0.437 255 V N -4.046 115.720 119.914 -0.247 0.000 3.444 255 V HA 0.508 4.632 4.120 0.007 0.000 0.308 255 V C 1.143 177.192 176.094 -0.075 0.000 1.371 255 V CA 0.232 62.424 62.300 -0.179 0.000 1.141 255 V CB -0.183 31.592 31.823 -0.080 0.000 1.037 255 V HN 0.435 nan 8.190 nan 0.000 0.433 256 G N -0.270 108.487 108.800 -0.071 0.000 2.132 256 G HA2 -0.232 3.732 3.960 0.007 0.000 0.228 256 G HA3 -0.232 3.732 3.960 0.007 0.000 0.228 256 G C 0.018 174.904 174.900 -0.023 0.000 1.000 256 G CA -0.039 45.039 45.100 -0.036 0.000 0.693 256 G HN 0.681 nan 8.290 nan 0.000 0.515 257 c N 2.358 120.941 118.600 -0.028 0.000 2.170 257 c HA 0.541 5.115 4.570 0.007 0.000 0.339 257 c C -1.495 172.581 174.090 -0.023 0.000 1.056 257 c CA -1.620 54.697 56.329 -0.020 0.000 1.535 257 c CB 0.191 42.689 42.510 -0.020 0.000 1.785 257 c HN 0.437 nan 8.230 nan 0.000 0.440 258 P HA 0.350 nan 4.420 nan 0.000 0.277 258 P C -2.142 175.148 177.300 -0.017 0.000 1.240 258 P CA -1.016 62.073 63.100 -0.018 0.000 0.798 258 P CB -0.118 31.574 31.700 -0.014 0.000 0.979 266 D N 1.353 121.744 120.400 -0.014 0.000 2.117 266 D HA -0.072 4.573 4.640 0.007 0.000 0.197 266 D C 1.333 177.621 176.300 -0.020 0.000 0.987 266 D CA 1.724 55.711 54.000 -0.022 0.000 0.829 266 D CB 0.101 40.889 40.800 -0.020 0.000 0.961 266 D HN 0.607 nan 8.370 nan 0.000 0.460 267 T N 0.783 115.332 114.554 -0.008 0.000 2.652 267 T HA -0.199 4.155 4.350 0.007 0.000 0.267 267 T C 1.774 176.475 174.700 0.001 0.000 1.039 267 T CA 1.468 63.568 62.100 0.000 0.000 1.153 267 T CB -0.258 68.614 68.868 0.006 0.000 0.863 267 T HN 0.278 nan 8.240 nan 0.000 0.428 268 E N 0.430 120.630 120.200 -0.001 0.000 2.097 268 E HA -0.156 4.198 4.350 0.007 0.000 0.196 268 E C 2.235 178.833 176.600 -0.004 0.000 1.000 268 E CA 1.028 57.428 56.400 0.000 0.000 0.804 268 E CB -0.225 29.474 29.700 -0.001 0.000 0.740 268 E HN 0.439 nan 8.360 nan 0.000 0.454 269 L N 0.421 121.634 121.223 -0.017 0.000 2.027 269 L HA -0.149 4.195 4.340 0.007 0.000 0.206 269 L C 2.344 179.190 176.870 -0.040 0.000 1.074 269 L CA 1.128 55.950 54.840 -0.031 0.000 0.745 269 L CB -0.111 41.922 42.059 -0.044 0.000 0.898 269 L HN 0.175 nan 8.230 nan 0.000 0.433 270 I N -0.123 120.419 120.570 -0.047 0.000 2.315 270 I HA -0.229 3.946 4.170 0.007 0.000 0.248 270 I C 2.711 178.857 176.117 0.048 0.000 1.117 270 I CA 0.991 62.261 61.300 -0.050 0.000 1.404 270 I CB -0.563 37.407 38.000 -0.051 0.000 1.071 270 I HN 0.299 nan 8.210 nan 0.000 0.419 271 A N -0.225 122.619 122.820 0.039 0.000 1.908 271 A HA -0.293 4.032 4.320 0.007 0.000 0.218 271 A C 2.523 180.139 177.584 0.055 0.000 1.181 271 A CA 2.015 54.084 52.037 0.053 0.000 0.627 271 A CB -1.305 17.715 19.000 0.034 0.000 0.818 271 A HN 0.627 nan 8.150 nan 0.000 0.445 272 c N -0.744 117.877 118.600 0.035 0.000 2.466 272 c HA 0.094 4.668 4.570 0.007 0.000 0.278 272 c C 2.553 176.674 174.090 0.051 0.000 1.288 272 c CA 0.886 57.234 56.329 0.032 0.000 1.722 272 c CB -1.557 40.960 42.510 0.013 0.000 2.017 272 c HN 0.582 nan 8.230 nan 0.000 0.488 273 L N 0.531 121.788 121.223 0.056 0.000 2.081 273 L HA -0.164 4.180 4.340 0.007 0.000 0.212 273 L C 2.929 179.931 176.870 0.220 0.000 1.080 273 L CA 1.631 56.540 54.840 0.114 0.000 0.754 273 L CB -0.600 41.486 42.059 0.045 0.000 0.893 273 L HN 0.376 nan 8.230 nan 0.000 0.433 274 R N -0.784 119.847 120.500 0.219 0.000 2.280 274 R HA -0.086 4.259 4.340 0.007 0.000 0.207 274 R C 2.059 178.403 176.300 0.073 0.000 1.043 274 R CA 1.502 57.695 56.100 0.155 0.000 1.006 274 R CB -0.204 30.176 30.300 0.133 0.000 0.885 274 R HN 0.527 nan 8.270 nan 0.000 0.467 275 T N -1.923 112.671 114.554 0.067 0.000 3.057 275 T HA 0.138 4.492 4.350 0.007 0.000 0.254 275 T C 0.963 175.686 174.700 0.039 0.000 1.094 275 T CA -0.237 61.888 62.100 0.042 0.000 1.088 275 T CB 0.195 69.083 68.868 0.035 0.000 0.934 275 T HN -0.134 nan 8.240 nan 0.000 0.497 276 R N 3.013 123.544 120.500 0.051 0.000 2.590 276 R HA 0.324 4.668 4.340 0.007 0.000 0.274 276 R C -2.694 173.629 176.300 0.038 0.000 1.061 276 R CA -2.226 53.903 56.100 0.048 0.000 1.081 276 R CB -0.453 29.882 30.300 0.058 0.000 0.984 276 R HN 0.280 nan 8.270 nan 0.000 0.448 277 P HA 0.108 nan 4.420 nan 0.000 0.276 277 P C 0.258 177.551 177.300 -0.011 0.000 1.230 277 P CA -0.092 63.012 63.100 0.006 0.000 0.776 277 P CB 0.740 32.451 31.700 0.019 0.000 0.888 278 A N 3.045 125.804 122.820 -0.102 0.000 1.929 278 A HA -0.330 3.994 4.320 0.007 0.000 0.221 278 A C 2.172 179.659 177.584 -0.161 0.000 1.211 278 A CA 2.386 54.302 52.037 -0.200 0.000 0.657 278 A CB -1.491 16.921 19.000 -0.981 0.000 0.827 278 A HN 0.559 nan 8.150 nan 0.000 0.462 279 Q N -0.500 119.204 119.800 -0.161 0.000 2.224 279 Q HA -0.134 4.210 4.340 0.007 0.000 0.203 279 Q C 1.198 177.278 176.000 0.133 0.000 0.970 279 Q CA 1.830 57.681 55.803 0.081 0.000 0.865 279 Q CB -0.253 28.578 28.738 0.156 0.000 0.922 279 Q HN 0.675 nan 8.270 nan 0.000 0.445 280 D N -0.690 119.779 120.400 0.115 0.000 2.183 280 D HA -0.072 4.572 4.640 0.007 0.000 0.203 280 D C 1.650 178.090 176.300 0.233 0.000 0.969 280 D CA 0.643 54.753 54.000 0.183 0.000 0.842 280 D CB 0.029 40.931 40.800 0.168 0.000 0.957 280 D HN 0.315 nan 8.370 nan 0.000 0.484 281 L N 0.171 121.478 121.223 0.141 0.000 2.027 281 L HA -0.118 4.226 4.340 0.007 0.000 0.206 281 L C 2.488 179.448 176.870 0.149 0.000 1.074 281 L CA 0.639 55.527 54.840 0.080 0.000 0.745 281 L CB -0.445 41.527 42.059 -0.145 0.000 0.898 281 L HN -0.063 nan 8.230 nan 0.000 0.433 282 V N -0.207 119.842 119.914 0.224 0.000 2.295 282 V HA -0.273 3.851 4.120 0.007 0.000 0.246 282 V C 2.006 178.229 176.094 0.214 0.000 1.049 282 V CA 1.824 64.300 62.300 0.294 0.000 1.024 282 V CB -0.561 31.519 31.823 0.429 0.000 0.648 282 V HN 0.422 nan 8.190 nan 0.000 0.447 283 D N -0.819 119.678 120.400 0.161 0.000 2.315 283 D HA -0.164 4.480 4.640 0.007 0.000 0.211 283 D C 1.681 177.910 176.300 -0.118 0.000 0.977 283 D CA 1.484 55.495 54.000 0.019 0.000 0.894 283 D CB -0.194 40.575 40.800 -0.052 0.000 0.910 283 D HN 0.651 nan 8.370 nan 0.000 0.490 284 H N -1.151 118.019 119.070 0.166 0.000 2.893 284 H HA 0.103 4.664 4.556 0.007 0.000 0.270 284 H C 1.652 177.084 175.328 0.175 0.000 1.095 284 H CA 0.067 56.248 56.048 0.222 0.000 1.186 284 H CB 0.573 30.482 29.762 0.245 0.000 1.562 284 H HN 0.215 nan 8.280 nan 0.000 0.536 285 E N 0.578 120.946 120.200 0.280 0.000 2.204 285 E HA -0.216 4.138 4.350 0.007 0.000 0.194 285 E C 1.493 178.338 176.600 0.408 0.000 0.989 285 E CA 0.756 57.415 56.400 0.432 0.000 0.824 285 E CB -0.270 29.722 29.700 0.486 0.000 0.756 285 E HN 0.623 nan 8.360 nan 0.000 0.477 286 W N 1.135 122.318 121.300 -0.194 0.000 2.584 286 W HA -0.055 4.609 4.660 0.007 0.000 0.264 286 W C 1.175 177.578 176.519 -0.194 0.000 1.264 286 W CA 0.364 57.544 57.345 -0.274 0.000 1.306 286 W CB 0.211 29.422 29.460 -0.416 0.000 1.110 286 W HN 0.265 nan 8.180 nan 0.000 0.606 287 H N -0.218 118.943 119.070 0.152 0.000 2.563 287 H HA -0.057 4.503 4.556 0.007 0.000 0.272 287 H C 1.911 177.224 175.328 -0.026 0.000 1.005 287 H CA 1.199 57.281 56.048 0.056 0.000 1.171 287 H CB -0.629 29.219 29.762 0.143 0.000 1.351 287 H HN 0.199 nan 8.280 nan 0.000 0.602 288 V N -2.142 117.776 119.914 0.007 0.000 3.621 288 V HA 0.222 4.346 4.120 0.007 0.000 0.285 288 V C 0.718 176.689 176.094 -0.206 0.000 1.346 288 V CA -0.150 62.108 62.300 -0.069 0.000 1.104 288 V CB -0.388 31.409 31.823 -0.044 0.000 0.913 288 V HN -0.008 nan 8.190 nan 0.000 0.432 289 L N 2.630 123.665 121.223 -0.313 0.000 2.410 289 L HA 0.310 4.654 4.340 0.007 0.000 0.273 289 L C -0.441 176.287 176.870 -0.236 0.000 1.152 289 L CA -1.181 53.439 54.840 -0.367 0.000 0.855 289 L CB 1.064 42.768 42.059 -0.591 0.000 1.129 289 L HN 0.135 nan 8.230 nan 0.000 0.463 290 P HA -0.093 nan 4.420 nan 0.000 0.223 290 P C -0.218 177.012 177.300 -0.116 0.000 1.151 290 P CA 1.085 64.106 63.100 -0.131 0.000 0.787 290 P CB 0.451 32.083 31.700 -0.113 0.000 0.788 291 Q N -1.247 118.469 119.800 -0.139 0.000 2.544 291 Q HA 0.361 4.705 4.340 0.007 0.000 0.291 291 Q C -0.597 175.324 176.000 -0.131 0.000 1.068 291 Q CA -0.810 54.927 55.803 -0.110 0.000 0.785 291 Q CB 1.157 29.843 28.738 -0.087 0.000 1.481 291 Q HN -0.066 nan 8.270 nan 0.000 0.430 292 E N 0.846 120.992 120.200 -0.089 0.000 2.415 292 E HA 0.333 4.687 4.350 0.007 0.000 0.263 292 E C -1.016 175.538 176.600 -0.076 0.000 0.995 292 E CA 0.153 56.509 56.400 -0.074 0.000 0.915 292 E CB 0.361 30.043 29.700 -0.030 0.000 0.951 292 E HN 0.590 nan 8.360 nan 0.000 0.449 293 S N 3.151 118.801 115.700 -0.083 0.000 2.578 293 S HA 0.539 5.013 4.470 0.007 0.000 0.272 293 S C -0.689 173.887 174.600 -0.039 0.000 1.145 293 S CA -1.044 57.111 58.200 -0.075 0.000 0.835 293 S CB 0.479 63.602 63.200 -0.129 0.000 1.104 293 S HN 0.518 nan 8.310 nan 0.000 0.458 294 I N -2.284 118.274 120.570 -0.021 0.000 2.846 294 I HA 0.856 5.030 4.170 0.007 0.000 0.307 294 I C -0.115 175.964 176.117 -0.064 0.000 1.053 294 I CA -1.146 60.160 61.300 0.008 0.000 1.050 294 I CB 0.942 39.000 38.000 0.097 0.000 1.239 294 I HN 0.794 nan 8.210 nan 0.000 0.439 295 F N 1.816 121.534 119.950 -0.387 0.000 3.080 295 F HA -0.179 4.352 4.527 0.007 0.000 0.292 295 F C -0.335 174.922 175.800 -0.905 0.000 0.891 295 F CA 0.575 58.089 58.000 -0.811 0.000 1.086 295 F CB -0.599 37.870 39.000 -0.885 0.000 1.095 295 F HN 0.586 nan 8.300 nan 0.000 0.633 296 R N 0.575 120.615 120.500 -0.767 0.000 2.628 296 R HA 0.646 4.990 4.340 0.007 0.000 0.288 296 R C -0.966 174.902 176.300 -0.719 0.000 0.980 296 R CA -0.554 55.164 56.100 -0.637 0.000 0.891 296 R CB 1.408 31.512 30.300 -0.327 0.000 1.188 296 R HN 0.030 nan 8.270 nan 0.000 0.450 297 F N -0.739 119.324 119.950 0.189 0.000 2.563 297 F HA 0.366 4.897 4.527 0.006 0.000 0.316 297 F C 1.480 177.336 175.800 0.093 0.000 1.076 297 F CA -0.806 57.393 58.000 0.332 0.000 0.921 297 F CB 1.901 41.187 39.000 0.476 0.000 1.209 297 F HN 0.340 nan 8.300 nan 0.000 0.462 298 S N 0.642 116.500 115.700 0.263 0.000 2.357 298 S HA 0.037 4.511 4.470 0.007 0.000 0.221 298 S C 0.019 174.324 174.600 -0.492 0.000 1.031 298 S CA 1.054 59.115 58.200 -0.232 0.000 0.982 298 S CB -0.170 62.921 63.200 -0.181 0.000 0.853 298 S HN 0.367 nan 8.310 nan 0.000 0.458 299 F N 1.847 121.967 119.950 0.283 0.000 2.366 299 F HA 0.519 5.050 4.527 0.007 0.000 0.366 299 F C -0.005 175.889 175.800 0.157 0.000 1.096 299 F CA -0.959 57.187 58.000 0.243 0.000 1.060 299 F CB 1.050 40.232 39.000 0.303 0.000 1.282 299 F HN -0.103 nan 8.300 nan 0.000 0.450 300 V N 0.519 120.463 119.914 0.050 0.000 3.155 300 V HA 0.758 4.882 4.120 0.007 0.000 0.313 300 V C -2.806 173.007 176.094 -0.468 0.000 1.162 300 V CA -3.446 58.583 62.300 -0.452 0.000 1.048 300 V CB 1.851 33.563 31.823 -0.185 0.000 1.092 300 V HN 0.225 nan 8.190 nan 0.000 0.447 301 P HA 0.105 nan 4.420 nan 0.000 0.261 301 P C -0.510 176.694 177.300 -0.160 0.000 1.173 301 P CA 0.549 63.443 63.100 -0.344 0.000 0.760 301 P CB 0.504 31.920 31.700 -0.474 0.000 0.783 302 V N 5.359 125.250 119.914 -0.039 0.000 2.617 302 V HA 0.188 4.312 4.120 0.007 0.000 0.298 302 V C -0.156 175.934 176.094 -0.008 0.000 1.048 302 V CA -0.734 61.557 62.300 -0.016 0.000 0.964 302 V CB 1.800 33.640 31.823 0.027 0.000 1.004 302 V HN 0.137 nan 8.190 nan 0.000 0.466 303 V N 7.290 127.198 119.914 -0.010 0.000 2.364 303 V HA 0.177 4.302 4.120 0.007 0.000 0.252 303 V C 0.722 176.830 176.094 0.023 0.000 1.075 303 V CA 0.261 62.566 62.300 0.008 0.000 1.033 303 V CB 0.250 32.068 31.823 -0.008 0.000 1.116 303 V HN 1.064 nan 8.190 nan 0.000 0.488 304 D N 2.742 123.171 120.400 0.048 0.000 2.349 304 D HA 0.121 4.765 4.640 0.007 0.000 0.214 304 D C 1.525 177.853 176.300 0.047 0.000 1.063 304 D CA 0.588 54.618 54.000 0.051 0.000 0.847 304 D CB 0.399 41.241 40.800 0.071 0.000 0.933 304 D HN 0.665 nan 8.370 nan 0.000 0.513 305 G N 0.704 109.530 108.800 0.044 0.000 2.168 305 G HA2 -0.335 3.630 3.960 0.007 0.000 0.257 305 G HA3 -0.335 3.630 3.960 0.007 0.000 0.257 305 G C 0.348 175.272 174.900 0.041 0.000 0.997 305 G CA 0.881 46.002 45.100 0.034 0.000 0.708 305 G HN 0.560 nan 8.290 nan 0.000 0.520 306 D N -1.932 118.508 120.400 0.068 0.000 3.000 306 D HA 0.221 4.865 4.640 0.007 0.000 0.190 306 D C 1.644 177.996 176.300 0.087 0.000 1.503 306 D CA 0.409 54.452 54.000 0.072 0.000 1.496 306 D CB -0.688 40.166 40.800 0.090 0.000 1.163 306 D HN 0.057 nan 8.370 nan 0.000 0.231 307 F N 1.277 121.239 119.950 0.020 0.000 2.069 307 F HA 0.185 4.716 4.527 0.007 0.000 0.298 307 F C 0.604 176.409 175.800 0.007 0.000 1.113 307 F CA 1.241 59.252 58.000 0.018 0.000 1.214 307 F CB 0.120 39.130 39.000 0.017 0.000 0.978 307 F HN -0.008 nan 8.300 nan 0.000 0.474 308 L N 0.830 122.223 121.223 0.283 0.000 2.276 308 L HA 0.186 4.530 4.340 0.007 0.000 0.286 308 L C 1.322 178.235 176.870 0.072 0.000 1.024 308 L CA -0.209 54.722 54.840 0.152 0.000 0.826 308 L CB 1.333 43.475 42.059 0.139 0.000 1.211 308 L HN 0.092 nan 8.230 nan 0.000 0.422 309 S N 0.452 116.172 115.700 0.034 0.000 2.515 309 S HA 0.023 4.497 4.470 0.007 0.000 0.231 309 S C 0.378 174.988 174.600 0.016 0.000 0.987 309 S CA 0.242 58.452 58.200 0.018 0.000 0.936 309 S CB 0.054 63.254 63.200 -0.001 0.000 0.766 309 S HN 0.743 nan 8.310 nan 0.000 0.528 310 D N 0.077 120.489 120.400 0.020 0.000 2.755 310 D HA 0.172 4.816 4.640 0.007 0.000 0.277 310 D C -1.005 175.300 176.300 0.009 0.000 1.261 310 D CA 0.091 54.097 54.000 0.011 0.000 0.759 310 D CB 1.117 41.921 40.800 0.006 0.000 1.279 310 D HN 0.204 nan 8.370 nan 0.000 0.420 311 T N -0.209 114.343 114.554 -0.003 0.000 2.946 311 T HA 0.155 4.509 4.350 0.007 0.000 0.312 311 T C -1.745 172.949 174.700 -0.011 0.000 1.066 311 T CA -0.485 61.605 62.100 -0.016 0.000 1.138 311 T CB 0.778 69.629 68.868 -0.027 0.000 1.014 311 T HN 0.129 nan 8.240 nan 0.000 0.544 312 P HA -0.115 nan 4.420 nan 0.000 0.218 312 P C 1.475 178.766 177.300 -0.015 0.000 1.146 312 P CA 0.968 64.056 63.100 -0.020 0.000 0.813 312 P CB 0.105 31.766 31.700 -0.065 0.000 0.778 313 E N -0.528 119.655 120.200 -0.029 0.000 2.047 313 E HA -0.173 4.181 4.350 0.007 0.000 0.191 313 E C 1.948 178.552 176.600 0.006 0.000 0.987 313 E CA 1.196 57.584 56.400 -0.020 0.000 0.799 313 E CB -0.378 29.303 29.700 -0.032 0.000 0.752 313 E HN 0.069 nan 8.360 nan 0.000 0.449 314 A N 1.206 124.029 122.820 0.005 0.000 1.877 314 A HA -0.167 4.157 4.320 0.007 0.000 0.216 314 A C 2.242 179.846 177.584 0.035 0.000 1.186 314 A CA 1.208 53.254 52.037 0.014 0.000 0.620 314 A CB -0.719 18.284 19.000 0.005 0.000 0.822 314 A HN 0.266 nan 8.150 nan 0.000 0.443 315 L N -0.171 121.080 121.223 0.047 0.000 2.141 315 L HA -0.126 4.218 4.340 0.007 0.000 0.209 315 L C 2.525 179.498 176.870 0.172 0.000 1.094 315 L CA 1.428 56.317 54.840 0.082 0.000 0.763 315 L CB -0.584 41.526 42.059 0.084 0.000 0.908 315 L HN 0.687 nan 8.230 nan 0.000 0.437 316 I N -3.336 117.333 120.570 0.166 0.000 2.761 316 I HA -0.085 4.090 4.170 0.007 0.000 0.261 316 I C 1.899 178.148 176.117 0.220 0.000 1.198 316 I CA 1.090 62.536 61.300 0.244 0.000 1.482 316 I CB -0.345 37.702 38.000 0.078 0.000 1.100 316 I HN 0.135 nan 8.210 nan 0.000 0.445 317 N N 1.403 120.174 118.700 0.118 0.000 2.300 317 N HA -0.077 4.667 4.740 0.007 0.000 0.179 317 N C 1.610 177.159 175.510 0.065 0.000 1.016 317 N CA 1.922 55.021 53.050 0.083 0.000 0.876 317 N CB -0.181 38.333 38.487 0.045 0.000 0.979 317 N HN 0.660 nan 8.380 nan 0.000 0.432 318 T N -3.301 111.279 114.554 0.044 0.000 3.182 318 T HA 0.404 4.758 4.350 0.007 0.000 0.277 318 T C 0.655 175.300 174.700 -0.091 0.000 1.013 318 T CA -0.682 61.410 62.100 -0.013 0.000 0.900 318 T CB 0.074 68.931 68.868 -0.018 0.000 1.098 318 T HN 0.026 nan 8.240 nan 0.000 0.543 319 G N 0.567 109.282 108.800 -0.141 0.000 2.400 319 G HA2 0.471 4.435 3.960 0.007 0.000 0.301 319 G HA3 0.471 4.435 3.960 0.007 0.000 0.301 319 G C -1.189 173.231 174.900 -0.799 0.000 1.154 319 G CA -0.528 44.223 45.100 -0.581 0.000 0.852 319 G HN 0.286 nan 8.290 nan 0.000 0.511 320 D N 0.717 120.661 120.400 -0.760 0.000 2.359 320 D HA 0.329 4.973 4.640 0.007 0.000 0.230 320 D C -0.425 175.489 176.300 -0.643 0.000 1.118 320 D CA -0.642 53.052 54.000 -0.510 0.000 0.844 320 D CB 0.554 41.194 40.800 -0.266 0.000 1.059 320 D HN 0.100 nan 8.370 nan 0.000 0.493 321 F N 2.128 122.084 119.950 0.010 0.000 2.855 321 F HA 0.250 4.781 4.527 0.007 0.000 0.317 321 F C 1.933 177.742 175.800 0.015 0.000 1.169 321 F CA -0.423 57.587 58.000 0.016 0.000 1.299 321 F CB 0.132 39.150 39.000 0.030 0.000 0.962 321 F HN 0.349 nan 8.300 nan 0.000 0.506 322 Q N 0.261 120.118 119.800 0.095 0.000 2.030 322 Q HA -0.178 4.167 4.340 0.007 0.000 0.204 322 Q C 0.314 176.356 176.000 0.070 0.000 0.986 322 Q CA 1.615 57.459 55.803 0.069 0.000 0.843 322 Q CB -0.087 28.665 28.738 0.023 0.000 0.904 322 Q HN 0.236 nan 8.270 nan 0.000 0.420 323 D N 0.162 120.594 120.400 0.054 0.000 3.085 323 D HA 0.234 4.878 4.640 0.007 0.000 0.243 323 D C -1.142 175.191 176.300 0.055 0.000 1.232 323 D CA 0.211 54.235 54.000 0.039 0.000 0.913 323 D CB 0.001 40.808 40.800 0.012 0.000 1.108 323 D HN -0.033 nan 8.370 nan 0.000 0.468 324 L N 0.614 121.891 121.223 0.090 0.000 2.516 324 L HA 0.345 4.689 4.340 0.007 0.000 0.267 324 L C -1.431 175.517 176.870 0.130 0.000 0.957 324 L CA -0.508 54.400 54.840 0.114 0.000 0.860 324 L CB 1.876 44.035 42.059 0.166 0.000 1.265 324 L HN -0.205 nan 8.230 nan 0.000 0.403 325 Q N 3.142 123.031 119.800 0.148 0.000 2.293 325 Q HA 0.811 5.155 4.340 0.007 0.000 0.261 325 Q C -1.390 174.869 176.000 0.433 0.000 0.960 325 Q CA -0.461 55.490 55.803 0.247 0.000 0.882 325 Q CB 2.640 31.465 28.738 0.146 0.000 1.275 325 Q HN 0.504 nan 8.270 nan 0.000 0.445 326 V N 3.057 123.210 119.914 0.398 0.000 2.623 326 V HA 0.390 4.514 4.120 0.007 0.000 0.304 326 V C -1.452 174.603 176.094 -0.065 0.000 1.054 326 V CA -0.872 61.563 62.300 0.224 0.000 0.882 326 V CB 1.840 33.705 31.823 0.069 0.000 1.002 326 V HN 0.592 nan 8.190 nan 0.000 0.424 327 L N 7.727 128.655 121.223 -0.491 0.000 2.282 327 L HA 0.915 5.260 4.340 0.007 0.000 0.288 327 L C -0.383 176.349 176.870 -0.229 0.000 1.033 327 L CA -0.026 54.446 54.840 -0.612 0.000 0.807 327 L CB 1.574 42.806 42.059 -1.378 0.000 1.209 327 L HN 0.604 nan 8.230 nan 0.000 0.423 328 V N 2.035 121.898 119.914 -0.085 0.000 3.078 328 V HA 1.131 5.255 4.120 0.007 0.000 0.311 328 V C -0.206 175.710 176.094 -0.298 0.000 1.138 328 V CA 0.176 62.423 62.300 -0.088 0.000 1.007 328 V CB 1.200 32.938 31.823 -0.142 0.000 1.045 328 V HN 1.179 nan 8.190 nan 0.000 0.432 329 G N 0.471 108.944 108.800 -0.545 0.000 2.349 329 G HA2 0.737 4.701 3.960 0.007 0.000 0.294 329 G HA3 0.737 4.701 3.960 0.007 0.000 0.294 329 G C -1.267 173.281 174.900 -0.587 0.000 1.380 329 G CA 0.124 44.462 45.100 -1.270 0.000 0.811 329 G HN 2.128 nan 8.290 nan 0.000 0.519 330 V N -2.208 117.490 119.914 -0.361 0.000 3.078 330 V HA 0.917 5.041 4.120 0.007 0.000 0.311 330 V C 0.362 176.648 176.094 0.320 0.000 1.138 330 V CA -0.397 61.946 62.300 0.072 0.000 1.007 330 V CB 1.142 32.987 31.823 0.035 0.000 1.045 330 V HN 1.929 nan 8.190 nan 0.000 0.432 331 V N 0.193 120.317 119.914 0.349 0.000 3.134 331 V HA 0.544 4.669 4.120 0.007 0.000 0.313 331 V C 1.413 177.704 176.094 0.328 0.000 1.069 331 V CA 0.025 62.581 62.300 0.425 0.000 1.048 331 V CB 1.140 33.199 31.823 0.393 0.000 1.119 331 V HN 1.080 nan 8.190 nan 0.000 0.461 332 K N -0.258 120.333 120.400 0.318 0.000 2.097 332 K HA -0.057 4.268 4.320 0.007 0.000 0.206 332 K C 0.319 177.042 176.600 0.205 0.000 1.049 332 K CA 1.762 58.188 56.287 0.231 0.000 0.933 332 K CB 0.082 32.696 32.500 0.190 0.000 0.717 332 K HN 0.899 nan 8.250 nan 0.000 0.442 333 D N 1.093 121.621 120.400 0.212 0.000 2.607 333 D HA 0.032 4.676 4.640 0.007 0.000 0.318 333 D C 0.199 176.625 176.300 0.210 0.000 1.212 333 D CA -0.074 54.038 54.000 0.187 0.000 0.861 333 D CB 1.323 42.212 40.800 0.148 0.000 1.064 333 D HN 0.113 nan 8.370 nan 0.000 0.500 334 E N 0.704 121.043 120.200 0.230 0.000 2.097 334 E HA -0.155 4.199 4.350 0.007 0.000 0.196 334 E C 1.956 178.724 176.600 0.279 0.000 1.000 334 E CA 1.014 57.583 56.400 0.283 0.000 0.804 334 E CB 0.038 29.871 29.700 0.222 0.000 0.740 334 E HN 0.448 nan 8.360 nan 0.000 0.454 335 G N 0.825 109.747 108.800 0.203 0.000 2.623 335 G HA2 -0.154 3.810 3.960 0.007 0.000 0.214 335 G HA3 -0.154 3.810 3.960 0.007 0.000 0.214 335 G C 1.709 176.753 174.900 0.240 0.000 1.138 335 G CA 0.870 46.101 45.100 0.218 0.000 0.794 335 G HN 0.367 nan 8.290 nan 0.000 0.535 336 S N 1.661 117.463 115.700 0.171 0.000 2.353 336 S HA -0.038 4.436 4.470 0.007 0.000 0.222 336 S C 2.619 177.223 174.600 0.006 0.000 1.035 336 S CA 1.598 59.874 58.200 0.127 0.000 1.025 336 S CB -0.722 62.505 63.200 0.045 0.000 0.902 336 S HN 0.542 nan 8.310 nan 0.000 0.440 337 A N 0.600 123.329 122.820 -0.152 0.000 2.024 337 A HA 0.106 4.430 4.320 0.007 0.000 0.220 337 A C 1.867 179.339 177.584 -0.188 0.000 1.164 337 A CA 1.272 53.080 52.037 -0.381 0.000 0.643 337 A CB -1.071 17.570 19.000 -0.598 0.000 0.806 337 A HN 0.581 nan 8.150 nan 0.000 0.451 338 F N -0.099 119.825 119.950 -0.043 0.000 2.407 338 F HA 0.003 4.534 4.527 0.007 0.000 0.299 338 F C 1.910 177.756 175.800 0.076 0.000 1.097 338 F CA 0.774 58.778 58.000 0.006 0.000 1.422 338 F CB -0.233 38.711 39.000 -0.094 0.000 1.067 338 F HN 0.114 nan 8.300 nan 0.000 0.539 339 L N -0.145 121.163 121.223 0.143 0.000 2.201 339 L HA -0.137 4.208 4.340 0.007 0.000 0.212 339 L C 2.238 179.159 176.870 0.086 0.000 1.105 339 L CA 0.901 55.696 54.840 -0.075 0.000 0.775 339 L CB -0.872 40.888 42.059 -0.499 0.000 0.913 339 L HN 0.158 nan 8.230 nan 0.000 0.440 340 V N -5.095 114.935 119.914 0.193 0.000 3.573 340 V HA -0.105 4.019 4.120 0.007 0.000 0.270 340 V C 0.829 176.893 176.094 -0.050 0.000 1.221 340 V CA 0.402 62.803 62.300 0.167 0.000 1.163 340 V CB -1.131 30.838 31.823 0.243 0.000 0.847 340 V HN 0.261 nan 8.190 nan 0.000 0.468 341 Y N 2.177 122.547 120.300 0.116 0.000 2.883 341 Y HA 0.676 5.230 4.550 0.007 0.000 0.385 341 Y C 1.466 177.427 175.900 0.103 0.000 1.067 341 Y CA 0.117 58.272 58.100 0.091 0.000 1.682 341 Y CB 0.343 38.842 38.460 0.066 0.000 1.606 341 Y HN 0.384 nan 8.280 nan 0.000 0.508 342 G N -0.461 108.448 108.800 0.181 0.000 2.148 342 G HA2 -0.190 3.775 3.960 0.007 0.000 0.157 342 G HA3 -0.190 3.775 3.960 0.007 0.000 0.157 342 G C -0.667 174.315 174.900 0.138 0.000 1.012 342 G CA -0.395 44.797 45.100 0.154 0.000 0.677 342 G HN 0.151 nan 8.290 nan 0.000 0.506 343 V N 1.730 121.736 119.914 0.152 0.000 2.348 343 V HA 0.410 4.534 4.120 0.007 0.000 0.270 343 V C -1.632 174.631 176.094 0.281 0.000 1.037 343 V CA -1.766 60.639 62.300 0.175 0.000 0.872 343 V CB 1.175 33.046 31.823 0.080 0.000 1.002 343 V HN 0.143 nan 8.190 nan 0.000 0.464 344 P HA 0.240 nan 4.420 nan 0.000 0.261 344 P C 1.037 178.449 177.300 0.188 0.000 1.183 344 P CA 1.277 64.474 63.100 0.162 0.000 0.761 344 P CB 0.586 32.347 31.700 0.103 0.000 0.785 345 G N 1.415 110.271 108.800 0.093 0.000 2.253 345 G HA2 -0.188 3.776 3.960 0.007 0.000 0.209 345 G HA3 -0.188 3.776 3.960 0.007 0.000 0.209 345 G C -0.219 174.506 174.900 -0.291 0.000 0.997 345 G CA -0.619 44.411 45.100 -0.116 0.000 0.640 345 G HN 0.398 nan 8.290 nan 0.000 0.496 346 F N 1.376 121.337 119.950 0.019 0.000 2.458 346 F HA 0.837 5.368 4.527 0.007 0.000 0.330 346 F C 0.591 176.474 175.800 0.138 0.000 1.082 346 F CA -0.111 57.916 58.000 0.044 0.000 0.995 346 F CB 2.323 41.390 39.000 0.112 0.000 1.170 346 F HN 0.232 nan 8.300 nan 0.000 0.478 347 S N 0.917 116.854 115.700 0.396 0.000 2.567 347 S HA 0.260 4.734 4.470 0.007 0.000 0.270 347 S C -0.003 174.895 174.600 0.496 0.000 1.152 347 S CA -0.814 57.617 58.200 0.384 0.000 0.835 347 S CB 1.362 64.694 63.200 0.219 0.000 1.115 347 S HN 0.770 nan 8.310 nan 0.000 0.459 348 K N 0.859 121.454 120.400 0.324 0.000 2.418 348 K HA 0.179 4.503 4.320 0.007 0.000 0.195 348 K C -0.002 176.625 176.600 0.044 0.000 1.035 348 K CA 0.888 57.271 56.287 0.160 0.000 1.003 348 K CB -0.070 32.281 32.500 -0.248 0.000 0.793 348 K HN 0.431 nan 8.250 nan 0.000 0.494 349 D N 0.960 121.373 120.400 0.022 0.000 2.349 349 D HA 0.019 4.663 4.640 0.007 0.000 0.214 349 D C -0.267 176.060 176.300 0.045 0.000 1.063 349 D CA 0.249 54.233 54.000 -0.027 0.000 0.847 349 D CB 0.175 40.935 40.800 -0.066 0.000 0.933 349 D HN 0.492 nan 8.370 nan 0.000 0.513 350 N N -1.031 117.734 118.700 0.109 0.000 3.102 350 N HA 0.115 4.859 4.740 0.007 0.000 0.299 350 N C 0.368 175.939 175.510 0.103 0.000 1.482 350 N CA -0.511 52.583 53.050 0.073 0.000 0.785 350 N CB 0.925 39.414 38.487 0.003 0.000 1.680 350 N HN -0.437 nan 8.380 nan 0.000 0.594 351 E N -0.436 119.752 120.200 -0.021 0.000 2.511 351 E HA 0.038 4.392 4.350 0.007 0.000 0.196 351 E C -0.422 175.853 176.600 -0.542 0.000 1.066 351 E CA 0.207 56.529 56.400 -0.131 0.000 0.871 351 E CB -0.617 29.041 29.700 -0.070 0.000 0.863 351 E HN 0.590 nan 8.360 nan 0.000 0.520 352 S N 0.273 115.668 115.700 -0.509 0.000 3.631 352 S HA -0.192 4.282 4.470 0.007 0.000 0.366 352 S C 0.236 174.396 174.600 -0.733 0.000 0.993 352 S CA 0.206 57.957 58.200 -0.748 0.000 1.167 352 S CB -1.612 60.891 63.200 -1.162 0.000 0.909 352 S HN 0.290 nan 8.310 nan 0.000 0.478 353 L N 1.904 122.852 121.223 -0.457 0.000 2.283 353 L HA 0.502 4.847 4.340 0.007 0.000 0.287 353 L C 0.682 177.354 176.870 -0.331 0.000 1.073 353 L CA -0.322 54.310 54.840 -0.346 0.000 0.822 353 L CB 0.280 42.211 42.059 -0.215 0.000 1.186 353 L HN 0.449 nan 8.230 nan 0.000 0.436 354 I N 0.372 120.736 120.570 -0.343 0.000 2.947 354 I HA 0.691 4.865 4.170 0.007 0.000 0.314 354 I C 0.484 176.519 176.117 -0.137 0.000 1.028 354 I CA -0.571 60.564 61.300 -0.274 0.000 1.077 354 I CB 1.950 39.747 38.000 -0.339 0.000 1.274 354 I HN 0.522 nan 8.210 nan 0.000 0.485 355 S N 1.723 117.381 115.700 -0.070 0.000 2.730 355 S HA 0.453 4.927 4.470 0.007 0.000 0.284 355 S C 0.845 175.468 174.600 0.039 0.000 1.153 355 S CA -0.664 57.522 58.200 -0.022 0.000 0.995 355 S CB 1.673 64.866 63.200 -0.012 0.000 1.058 355 S HN 0.848 nan 8.310 nan 0.000 0.552 356 R N 0.027 120.556 120.500 0.049 0.000 2.096 356 R HA -0.043 4.302 4.340 0.007 0.000 0.235 356 R C 2.312 178.699 176.300 0.144 0.000 1.127 356 R CA 1.407 57.576 56.100 0.114 0.000 0.968 356 R CB -1.061 29.285 30.300 0.076 0.000 0.861 356 R HN 0.822 nan 8.270 nan 0.000 0.440 357 A N 0.798 123.669 122.820 0.084 0.000 1.865 357 A HA -0.240 4.084 4.320 0.007 0.000 0.217 357 A C 2.035 179.667 177.584 0.081 0.000 1.191 357 A CA 1.617 53.694 52.037 0.068 0.000 0.623 357 A CB -0.577 18.448 19.000 0.042 0.000 0.826 357 A HN 0.495 nan 8.150 nan 0.000 0.444 358 Q N -1.888 117.965 119.800 0.088 0.000 2.170 358 Q HA -0.138 4.206 4.340 0.007 0.000 0.203 358 Q C 1.888 178.002 176.000 0.191 0.000 0.976 358 Q CA 1.479 57.346 55.803 0.107 0.000 0.858 358 Q CB -0.291 28.484 28.738 0.062 0.000 0.907 358 Q HN 0.810 nan 8.270 nan 0.000 0.433 359 F N 1.079 121.056 119.950 0.046 0.000 2.113 359 F HA -0.196 4.335 4.527 0.007 0.000 0.297 359 F C 1.783 177.615 175.800 0.053 0.000 1.103 359 F CA 0.979 59.014 58.000 0.059 0.000 1.248 359 F CB 0.077 39.093 39.000 0.027 0.000 0.999 359 F HN -0.041 nan 8.300 nan 0.000 0.475 360 L N 0.262 121.416 121.223 -0.114 0.000 2.046 360 L HA -0.219 4.125 4.340 0.007 0.000 0.208 360 L C 2.857 179.646 176.870 -0.134 0.000 1.077 360 L CA 1.179 55.901 54.840 -0.198 0.000 0.747 360 L CB -1.450 40.580 42.059 -0.049 0.000 0.896 360 L HN 0.272 nan 8.230 nan 0.000 0.432 361 A N 0.538 123.333 122.820 -0.042 0.000 1.933 361 A HA -0.093 4.231 4.320 0.007 0.000 0.218 361 A C 2.422 179.995 177.584 -0.017 0.000 1.175 361 A CA 1.666 53.695 52.037 -0.013 0.000 0.628 361 A CB -1.115 17.901 19.000 0.028 0.000 0.814 361 A HN 0.440 nan 8.150 nan 0.000 0.444 362 G N -0.470 108.326 108.800 -0.005 0.000 2.421 362 G HA2 -0.122 3.843 3.960 0.007 0.000 0.216 362 G HA3 -0.122 3.843 3.960 0.007 0.000 0.216 362 G C 1.510 176.362 174.900 -0.080 0.000 1.171 362 G CA 1.183 46.288 45.100 0.008 0.000 0.775 362 G HN 0.302 nan 8.290 nan 0.000 0.543 363 V N 1.106 120.893 119.914 -0.213 0.000 2.380 363 V HA -0.198 3.927 4.120 0.007 0.000 0.251 363 V C 3.051 179.081 176.094 -0.106 0.000 1.063 363 V CA 1.889 64.061 62.300 -0.214 0.000 1.055 363 V CB -0.433 31.166 31.823 -0.373 0.000 0.657 363 V HN 0.223 nan 8.190 nan 0.000 0.455 364 R N -0.327 120.119 120.500 -0.088 0.000 2.081 364 R HA -0.024 4.321 4.340 0.007 0.000 0.235 364 R C 2.077 178.353 176.300 -0.040 0.000 1.131 364 R CA 1.511 57.579 56.100 -0.052 0.000 0.960 364 R CB -0.875 29.401 30.300 -0.040 0.000 0.856 364 R HN 0.476 nan 8.270 nan 0.000 0.436 365 I N -0.305 120.245 120.570 -0.033 0.000 2.233 365 I HA -0.106 4.068 4.170 0.007 0.000 0.243 365 I C 2.364 178.467 176.117 -0.024 0.000 1.093 365 I CA 1.455 62.742 61.300 -0.022 0.000 1.380 365 I CB -0.567 37.433 38.000 -0.000 0.000 1.067 365 I HN 0.223 nan 8.210 nan 0.000 0.413 366 G N 0.232 109.015 108.800 -0.028 0.000 2.432 366 G HA2 -0.105 3.860 3.960 0.007 0.000 0.219 366 G HA3 -0.105 3.860 3.960 0.007 0.000 0.219 366 G C 0.852 175.747 174.900 -0.009 0.000 1.135 366 G CA 0.533 45.620 45.100 -0.022 0.000 0.767 366 G HN 0.262 nan 8.290 nan 0.000 0.550 367 V N 2.019 121.913 119.914 -0.034 0.000 2.326 367 V HA 0.214 4.339 4.120 0.007 0.000 0.254 367 V C -1.423 174.653 176.094 -0.029 0.000 1.022 367 V CA -1.096 61.167 62.300 -0.062 0.000 1.074 367 V CB 1.470 33.240 31.823 -0.089 0.000 1.305 367 V HN 0.087 nan 8.190 nan 0.000 0.506 368 P HA -0.177 nan 4.420 nan 0.000 0.220 368 P C 1.377 178.659 177.300 -0.029 0.000 1.148 368 P CA 1.106 64.188 63.100 -0.031 0.000 0.803 368 P CB 0.358 32.030 31.700 -0.048 0.000 0.782 369 Q N 0.100 119.891 119.800 -0.015 0.000 2.444 369 Q HA 0.108 4.452 4.340 0.007 0.000 0.206 369 Q C 0.490 176.476 176.000 -0.023 0.000 0.948 369 Q CA 0.248 56.040 55.803 -0.018 0.000 0.946 369 Q CB -0.614 28.122 28.738 -0.004 0.000 1.027 369 Q HN 0.053 nan 8.270 nan 0.000 0.513 370 A N 2.040 124.845 122.820 -0.025 0.000 2.320 370 A HA 0.453 4.777 4.320 0.007 0.000 0.287 370 A C 0.392 177.960 177.584 -0.026 0.000 1.181 370 A CA -0.102 51.917 52.037 -0.029 0.000 0.831 370 A CB 0.419 19.404 19.000 -0.024 0.000 1.102 370 A HN 0.477 nan 8.150 nan 0.000 0.513 371 S N 2.266 117.948 115.700 -0.029 0.000 2.572 371 S HA 0.013 4.488 4.470 0.007 0.000 0.267 371 S C 0.483 175.076 174.600 -0.011 0.000 1.361 371 S CA 0.443 58.629 58.200 -0.022 0.000 1.009 371 S CB 0.302 63.486 63.200 -0.027 0.000 0.888 371 S HN 0.634 nan 8.310 nan 0.000 0.553 372 D N 0.332 120.729 120.400 -0.005 0.000 2.116 372 D HA -0.119 4.525 4.640 0.007 0.000 0.193 372 D C 1.708 178.020 176.300 0.019 0.000 0.998 372 D CA 1.377 55.380 54.000 0.005 0.000 0.836 372 D CB -0.435 40.370 40.800 0.007 0.000 0.951 372 D HN 0.481 nan 8.370 nan 0.000 0.449 373 L N 0.411 121.645 121.223 0.019 0.000 2.046 373 L HA -0.065 4.280 4.340 0.007 0.000 0.208 373 L C 2.022 178.926 176.870 0.057 0.000 1.077 373 L CA 1.902 56.765 54.840 0.039 0.000 0.747 373 L CB -0.736 41.340 42.059 0.029 0.000 0.896 373 L HN 0.010 nan 8.230 nan 0.000 0.432 374 A N -0.628 122.207 122.820 0.025 0.000 1.930 374 A HA -0.019 4.306 4.320 0.007 0.000 0.217 374 A C 2.435 180.057 177.584 0.063 0.000 1.175 374 A CA 1.540 53.593 52.037 0.028 0.000 0.627 374 A CB -1.071 17.905 19.000 -0.040 0.000 0.815 374 A HN 0.565 nan 8.150 nan 0.000 0.443 375 A N -0.336 122.505 122.820 0.035 0.000 1.902 375 A HA -0.166 4.159 4.320 0.007 0.000 0.217 375 A C 1.967 179.580 177.584 0.049 0.000 1.181 375 A CA 1.830 53.882 52.037 0.025 0.000 0.623 375 A CB -0.521 18.474 19.000 -0.009 0.000 0.818 375 A HN 0.619 nan 8.150 nan 0.000 0.443 376 E N -0.256 119.984 120.200 0.066 0.000 2.058 376 E HA -0.133 4.222 4.350 0.007 0.000 0.194 376 E C 2.190 178.875 176.600 0.141 0.000 0.997 376 E CA 1.177 57.634 56.400 0.095 0.000 0.801 376 E CB -0.281 29.474 29.700 0.090 0.000 0.746 376 E HN 0.560 nan 8.360 nan 0.000 0.450 377 A N 0.204 123.129 122.820 0.174 0.000 1.883 377 A HA -0.199 4.125 4.320 0.007 0.000 0.217 377 A C 2.423 180.121 177.584 0.190 0.000 1.186 377 A CA 1.700 53.887 52.037 0.250 0.000 0.624 377 A CB -0.825 18.428 19.000 0.421 0.000 0.822 377 A HN 0.222 nan 8.150 nan 0.000 0.444 378 V N -0.547 119.493 119.914 0.210 0.000 2.295 378 V HA -0.241 3.883 4.120 0.007 0.000 0.246 378 V C 2.573 178.806 176.094 0.232 0.000 1.049 378 V CA 2.042 64.436 62.300 0.157 0.000 1.024 378 V CB -0.796 31.123 31.823 0.159 0.000 0.648 378 V HN 0.377 nan 8.190 nan 0.000 0.447 379 V N -0.311 119.703 119.914 0.166 0.000 2.343 379 V HA -0.243 3.882 4.120 0.007 0.000 0.247 379 V C 2.290 178.578 176.094 0.323 0.000 1.051 379 V CA 1.886 64.324 62.300 0.230 0.000 1.036 379 V CB -0.467 31.415 31.823 0.099 0.000 0.654 379 V HN 0.437 nan 8.190 nan 0.000 0.451 380 L N -0.667 120.726 121.223 0.284 0.000 2.046 380 L HA -0.218 4.126 4.340 0.007 0.000 0.208 380 L C 2.564 179.625 176.870 0.319 0.000 1.077 380 L CA 2.203 57.281 54.840 0.396 0.000 0.747 380 L CB -0.860 41.381 42.059 0.303 0.000 0.896 380 L HN 0.447 nan 8.230 nan 0.000 0.432 381 H N -0.958 118.104 119.070 -0.014 0.000 2.387 381 H HA -0.219 4.341 4.556 0.006 0.000 0.299 381 H C 1.828 177.047 175.328 -0.182 0.000 1.099 381 H CA 1.950 57.846 56.048 -0.253 0.000 1.315 381 H CB 0.068 29.323 29.762 -0.845 0.000 1.380 381 H HN 0.264 nan 8.280 nan 0.000 0.513 382 Y N -0.340 120.038 120.300 0.130 0.000 2.510 382 Y HA 0.119 4.674 4.550 0.008 0.000 0.273 382 Y C 0.821 176.765 175.900 0.074 0.000 1.119 382 Y CA 0.352 58.552 58.100 0.167 0.000 1.286 382 Y CB 0.347 39.014 38.460 0.346 0.000 1.061 382 Y HN 0.015 nan 8.280 nan 0.000 0.542 383 T N 1.563 116.154 114.554 0.061 0.000 2.902 383 T HA -0.062 4.293 4.350 0.007 0.000 0.301 383 T C -0.301 174.123 174.700 -0.460 0.000 1.012 383 T CA -0.146 61.748 62.100 -0.344 0.000 1.151 383 T CB 0.242 68.532 68.868 -0.963 0.000 0.946 383 T HN 0.087 nan 8.240 nan 0.000 0.542 384 D N 1.896 122.070 120.400 -0.377 0.000 2.336 384 D HA 0.113 4.757 4.640 0.007 0.000 0.249 384 D C -0.026 176.072 176.300 -0.337 0.000 1.213 384 D CA -0.666 53.088 54.000 -0.410 0.000 0.870 384 D CB 0.345 40.681 40.800 -0.774 0.000 1.076 384 D HN 0.600 nan 8.370 nan 0.000 0.483 385 W N 3.129 124.398 121.300 -0.052 0.000 2.937 385 W HA 0.118 4.782 4.660 0.005 0.000 0.245 385 W C 1.747 178.236 176.519 -0.049 0.000 1.306 385 W CA -0.206 57.117 57.345 -0.035 0.000 1.470 385 W CB -0.003 29.433 29.460 -0.041 0.000 1.132 385 W HN 0.429 nan 8.180 nan 0.000 0.675 386 L N -0.916 120.370 121.223 0.104 0.000 2.240 386 L HA -0.055 4.289 4.340 0.007 0.000 0.211 386 L C 0.194 176.887 176.870 -0.294 0.000 1.106 386 L CA 1.013 55.820 54.840 -0.056 0.000 0.793 386 L CB -0.408 41.642 42.059 -0.014 0.000 0.927 386 L HN 0.030 nan 8.230 nan 0.000 0.446 387 H N -1.652 117.361 119.070 -0.094 0.000 2.616 387 H HA 0.161 4.721 4.556 0.007 0.000 0.229 387 H C -1.908 173.335 175.328 -0.143 0.000 1.418 387 H CA -1.635 54.353 56.048 -0.101 0.000 1.248 387 H CB -0.069 29.630 29.762 -0.106 0.000 1.822 387 H HN -0.054 nan 8.280 nan 0.000 0.522 388 P HA -0.103 nan 4.420 nan 0.000 0.236 388 P C 0.387 177.617 177.300 -0.118 0.000 1.172 388 P CA 1.030 64.001 63.100 -0.214 0.000 0.759 388 P CB 0.541 32.096 31.700 -0.242 0.000 0.843 389 E N -1.298 118.877 120.200 -0.042 0.000 2.743 389 E HA 0.054 4.408 4.350 0.007 0.000 0.222 389 E C -0.012 176.580 176.600 -0.014 0.000 0.959 389 E CA -0.296 56.088 56.400 -0.027 0.000 1.198 389 E CB 0.141 29.834 29.700 -0.011 0.000 1.100 389 E HN 0.035 nan 8.360 nan 0.000 0.518 390 D N 1.355 121.762 120.400 0.010 0.000 2.412 390 D HA -0.018 4.626 4.640 0.007 0.000 0.257 390 D C -1.660 174.617 176.300 -0.038 0.000 1.217 390 D CA -1.595 52.409 54.000 0.007 0.000 0.897 390 D CB 1.300 42.113 40.800 0.020 0.000 1.132 390 D HN -0.026 nan 8.370 nan 0.000 0.493 391 P HA -0.159 nan 4.420 nan 0.000 0.215 391 P C 1.372 178.596 177.300 -0.126 0.000 1.163 391 P CA 1.519 64.555 63.100 -0.106 0.000 0.894 391 P CB 0.137 31.774 31.700 -0.104 0.000 0.791 392 T N -1.844 112.657 114.554 -0.089 0.000 2.665 392 T HA -0.246 4.108 4.350 0.007 0.000 0.268 392 T C 1.752 176.415 174.700 -0.061 0.000 1.035 392 T CA 2.034 64.089 62.100 -0.074 0.000 1.151 392 T CB -1.165 67.681 68.868 -0.037 0.000 0.862 392 T HN 0.293 nan 8.240 nan 0.000 0.438 393 H N 0.717 119.713 119.070 -0.122 0.000 2.387 393 H HA 0.105 4.665 4.556 0.006 0.000 0.299 393 H C 1.990 177.208 175.328 -0.184 0.000 1.090 393 H CA 1.168 57.136 56.048 -0.132 0.000 1.332 393 H CB -0.481 29.189 29.762 -0.153 0.000 1.386 393 H HN 0.267 nan 8.280 nan 0.000 0.516 394 L N -0.051 120.952 121.223 -0.368 0.000 2.056 394 L HA -0.138 4.206 4.340 0.007 0.000 0.207 394 L C 2.885 179.540 176.870 -0.357 0.000 1.078 394 L CA 1.359 55.869 54.840 -0.550 0.000 0.749 394 L CB -0.480 41.353 42.059 -0.376 0.000 0.901 394 L HN 0.260 nan 8.230 nan 0.000 0.433 395 R N 0.589 120.976 120.500 -0.187 0.000 2.096 395 R HA -0.217 4.127 4.340 0.007 0.000 0.240 395 R C 1.564 177.897 176.300 0.056 0.000 1.139 395 R CA 2.309 58.397 56.100 -0.021 0.000 0.952 395 R CB -0.449 29.734 30.300 -0.195 0.000 0.854 395 R HN 0.366 nan 8.270 nan 0.000 0.436 396 D N -0.074 120.288 120.400 -0.063 0.000 2.224 396 D HA -0.025 4.620 4.640 0.007 0.000 0.205 396 D C 1.639 177.918 176.300 -0.034 0.000 0.965 396 D CA 1.193 55.200 54.000 0.012 0.000 0.852 396 D CB -0.077 40.733 40.800 0.017 0.000 0.947 396 D HN 0.377 nan 8.370 nan 0.000 0.494 397 A N 0.556 123.229 122.820 -0.244 0.000 1.929 397 A HA -0.087 4.237 4.320 0.007 0.000 0.216 397 A C 2.092 179.695 177.584 0.031 0.000 1.176 397 A CA 1.023 52.974 52.037 -0.144 0.000 0.628 397 A CB -0.359 18.379 19.000 -0.437 0.000 0.816 397 A HN 0.112 nan 8.150 nan 0.000 0.444 398 M N 0.063 119.735 119.600 0.120 0.000 2.080 398 M HA -0.103 4.381 4.480 0.007 0.000 0.260 398 M C 2.287 178.634 176.300 0.079 0.000 1.068 398 M CA 2.164 57.619 55.300 0.258 0.000 1.109 398 M CB -0.678 32.136 32.600 0.357 0.000 1.342 398 M HN 0.383 nan 8.290 nan 0.000 0.405 399 S N -0.393 115.365 115.700 0.096 0.000 2.359 399 S HA -0.117 4.357 4.470 0.007 0.000 0.224 399 S C 2.025 176.680 174.600 0.093 0.000 1.035 399 S CA 1.646 59.914 58.200 0.114 0.000 1.018 399 S CB -0.595 62.732 63.200 0.212 0.000 0.876 399 S HN 0.638 nan 8.310 nan 0.000 0.448 400 A N 0.657 123.540 122.820 0.105 0.000 1.930 400 A HA 0.041 4.365 4.320 0.007 0.000 0.217 400 A C 2.340 179.944 177.584 0.033 0.000 1.175 400 A CA 1.571 53.701 52.037 0.154 0.000 0.627 400 A CB -0.992 18.209 19.000 0.335 0.000 0.815 400 A HN 0.442 nan 8.150 nan 0.000 0.443 401 V N -0.289 119.507 119.914 -0.197 0.000 2.255 401 V HA -0.270 3.855 4.120 0.007 0.000 0.247 401 V C 2.604 178.607 176.094 -0.151 0.000 1.051 401 V CA 2.235 64.383 62.300 -0.253 0.000 1.018 401 V CB -0.805 30.890 31.823 -0.212 0.000 0.641 401 V HN 0.386 nan 8.190 nan 0.000 0.445 402 V N 0.618 120.471 119.914 -0.103 0.000 2.261 402 V HA -0.177 3.947 4.120 0.007 0.000 0.246 402 V C 2.647 178.620 176.094 -0.201 0.000 1.047 402 V CA 2.193 64.414 62.300 -0.132 0.000 1.015 402 V CB -1.541 30.253 31.823 -0.048 0.000 0.642 402 V HN 0.616 nan 8.190 nan 0.000 0.446 403 G N 0.099 108.851 108.800 -0.079 0.000 2.491 403 G HA2 -0.307 3.657 3.960 0.007 0.000 0.218 403 G HA3 -0.307 3.657 3.960 0.007 0.000 0.218 403 G C 1.220 176.038 174.900 -0.137 0.000 1.180 403 G CA 1.357 46.426 45.100 -0.052 0.000 0.774 403 G HN 0.529 nan 8.290 nan 0.000 0.562 404 D N -0.525 119.806 120.400 -0.115 0.000 2.117 404 D HA -0.054 4.590 4.640 0.007 0.000 0.198 404 D C 2.103 178.078 176.300 -0.543 0.000 0.982 404 D CA 1.306 55.205 54.000 -0.170 0.000 0.828 404 D CB -0.487 40.381 40.800 0.113 0.000 0.967 404 D HN 0.468 nan 8.370 nan 0.000 0.464 405 H N 0.760 119.234 119.070 -0.994 0.000 2.395 405 H HA 0.062 4.622 4.556 0.006 0.000 0.299 405 H C 1.445 176.368 175.328 -0.674 0.000 1.070 405 H CA 1.524 56.818 56.048 -1.257 0.000 1.356 405 H CB 0.089 28.978 29.762 -1.454 0.000 1.401 405 H HN -0.020 nan 8.280 nan 0.000 0.524 406 N N -0.735 117.503 118.700 -0.771 0.000 2.402 406 N HA 0.003 4.748 4.740 0.007 0.000 0.174 406 N C 1.227 176.482 175.510 -0.424 0.000 1.027 406 N CA 1.128 53.685 53.050 -0.822 0.000 0.891 406 N CB 1.013 38.482 38.487 -1.698 0.000 1.016 406 N HN 0.275 nan 8.380 nan 0.000 0.439 407 V N -0.364 119.360 119.914 -0.317 0.000 3.278 407 V HA 0.063 4.187 4.120 0.007 0.000 0.215 407 V C 2.196 178.244 176.094 -0.077 0.000 1.287 407 V CA 0.172 62.423 62.300 -0.083 0.000 1.302 407 V CB -0.204 31.649 31.823 0.051 0.000 1.228 407 V HN -0.181 nan 8.190 nan 0.000 0.523 408 V N 0.201 120.072 119.914 -0.071 0.000 2.332 408 V HA -0.316 3.808 4.120 0.007 0.000 0.248 408 V C 2.472 178.528 176.094 -0.063 0.000 1.055 408 V CA 2.675 64.947 62.300 -0.047 0.000 1.038 408 V CB -0.719 31.105 31.823 0.002 0.000 0.651 408 V HN 0.691 nan 8.190 nan 0.000 0.450 409 c N -0.930 117.620 118.600 -0.084 0.000 2.475 409 c HA 0.049 4.623 4.570 0.007 0.000 0.279 409 c C 0.496 174.553 174.090 -0.056 0.000 1.322 409 c CA 0.612 56.924 56.329 -0.029 0.000 1.734 409 c CB -1.599 40.939 42.510 0.046 0.000 2.005 409 c HN 0.461 nan 8.230 nan 0.000 0.495 410 P HA -0.079 nan 4.420 nan 0.000 0.215 410 P C 1.808 179.044 177.300 -0.107 0.000 1.153 410 P CA 1.386 64.413 63.100 -0.122 0.000 0.853 410 P CB -0.157 31.435 31.700 -0.180 0.000 0.788 411 V N 0.357 120.209 119.914 -0.104 0.000 2.252 411 V HA -0.323 3.802 4.120 0.007 0.000 0.249 411 V C 2.461 178.461 176.094 -0.157 0.000 1.056 411 V CA 2.434 64.659 62.300 -0.125 0.000 1.022 411 V CB -1.777 29.969 31.823 -0.128 0.000 0.641 411 V HN 0.115 nan 8.190 nan 0.000 0.445 412 A N -0.503 122.238 122.820 -0.133 0.000 1.859 412 A HA -0.377 3.947 4.320 0.007 0.000 0.217 412 A C 2.208 179.754 177.584 -0.064 0.000 1.198 412 A CA 2.596 54.564 52.037 -0.116 0.000 0.629 412 A CB -0.761 18.221 19.000 -0.031 0.000 0.830 412 A HN 0.592 nan 8.150 nan 0.000 0.446 413 Q N -0.843 118.938 119.800 -0.031 0.000 2.062 413 Q HA -0.219 4.125 4.340 0.007 0.000 0.209 413 Q C 1.888 177.867 176.000 -0.034 0.000 0.996 413 Q CA 2.181 57.977 55.803 -0.011 0.000 0.859 413 Q CB -0.497 28.229 28.738 -0.020 0.000 0.920 413 Q HN 0.526 nan 8.270 nan 0.000 0.415 414 L N -0.025 121.150 121.223 -0.080 0.000 2.017 414 L HA -0.079 4.266 4.340 0.007 0.000 0.208 414 L C 2.163 178.967 176.870 -0.111 0.000 1.073 414 L CA 2.317 57.095 54.840 -0.103 0.000 0.745 414 L CB -1.085 40.898 42.059 -0.127 0.000 0.894 414 L HN 0.324 nan 8.230 nan 0.000 0.432 415 A N -0.757 121.965 122.820 -0.162 0.000 1.898 415 A HA -0.040 4.284 4.320 0.007 0.000 0.216 415 A C 2.336 179.941 177.584 0.034 0.000 1.181 415 A CA 1.478 53.385 52.037 -0.217 0.000 0.620 415 A CB -1.573 17.041 19.000 -0.644 0.000 0.819 415 A HN 0.520 nan 8.150 nan 0.000 0.442 416 G N -0.165 108.702 108.800 0.112 0.000 2.545 416 G HA2 -0.276 3.688 3.960 0.007 0.000 0.217 416 G HA3 -0.276 3.688 3.960 0.007 0.000 0.217 416 G C 1.680 176.662 174.900 0.136 0.000 1.218 416 G CA 0.976 46.206 45.100 0.217 0.000 0.787 416 G HN 0.422 nan 8.290 nan 0.000 0.571 417 R N 0.234 120.782 120.500 0.080 0.000 2.081 417 R HA 0.081 4.425 4.340 0.007 0.000 0.235 417 R C 2.729 179.098 176.300 0.115 0.000 1.131 417 R CA 0.637 56.792 56.100 0.092 0.000 0.960 417 R CB -1.144 29.205 30.300 0.081 0.000 0.856 417 R HN 0.423 nan 8.270 nan 0.000 0.436 418 L N 0.312 121.552 121.223 0.029 0.000 2.017 418 L HA -0.137 4.208 4.340 0.007 0.000 0.208 418 L C 2.680 179.613 176.870 0.106 0.000 1.073 418 L CA 1.490 56.327 54.840 -0.006 0.000 0.745 418 L CB -0.726 41.229 42.059 -0.174 0.000 0.894 418 L HN 0.150 nan 8.230 nan 0.000 0.432 419 A N 0.072 122.961 122.820 0.116 0.000 1.902 419 A HA -0.156 4.168 4.320 0.007 0.000 0.217 419 A C 2.488 180.133 177.584 0.101 0.000 1.181 419 A CA 1.676 53.788 52.037 0.125 0.000 0.623 419 A CB -0.752 18.365 19.000 0.194 0.000 0.818 419 A HN 0.401 nan 8.150 nan 0.000 0.443 420 A N -1.213 121.670 122.820 0.106 0.000 2.070 420 A HA -0.107 4.217 4.320 0.007 0.000 0.220 420 A C 1.729 179.369 177.584 0.092 0.000 1.159 420 A CA 1.517 53.604 52.037 0.084 0.000 0.656 420 A CB -0.297 18.753 19.000 0.082 0.000 0.800 420 A HN 0.644 nan 8.150 nan 0.000 0.453 421 Q N -1.959 117.925 119.800 0.140 0.000 2.165 421 Q HA 0.404 4.748 4.340 0.007 0.000 0.245 421 Q C 0.743 176.837 176.000 0.157 0.000 0.841 421 Q CA 0.327 56.218 55.803 0.147 0.000 1.078 421 Q CB 0.708 29.564 28.738 0.198 0.000 1.169 421 Q HN 0.726 nan 8.270 nan 0.000 0.475 422 G N -0.068 108.807 108.800 0.126 0.000 2.218 422 G HA2 -0.225 3.740 3.960 0.007 0.000 0.216 422 G HA3 -0.225 3.740 3.960 0.007 0.000 0.216 422 G C 0.274 175.238 174.900 0.108 0.000 0.994 422 G CA -0.272 44.887 45.100 0.098 0.000 0.637 422 G HN 0.500 nan 8.290 nan 0.000 0.505 423 A N 0.226 123.130 122.820 0.140 0.000 2.388 423 A HA 0.724 5.048 4.320 0.007 0.000 0.257 423 A C 0.611 178.231 177.584 0.060 0.000 1.095 423 A CA 0.438 52.543 52.037 0.114 0.000 0.791 423 A CB 0.318 19.376 19.000 0.097 0.000 1.029 423 A HN 0.774 nan 8.150 nan 0.000 0.489 424 R N 2.045 122.577 120.500 0.052 0.000 2.242 424 R HA 0.446 4.790 4.340 0.007 0.000 0.334 424 R C -1.380 174.899 176.300 -0.034 0.000 1.071 424 R CA 0.003 56.095 56.100 -0.015 0.000 0.922 424 R CB 0.173 30.492 30.300 0.031 0.000 1.023 424 R HN 0.439 nan 8.270 nan 0.000 0.458 425 V N 6.293 126.123 119.914 -0.140 0.000 2.409 425 V HA 0.348 4.472 4.120 0.007 0.000 0.291 425 V C -0.933 175.011 176.094 -0.250 0.000 1.020 425 V CA -0.778 61.467 62.300 -0.092 0.000 0.848 425 V CB 1.168 33.003 31.823 0.021 0.000 0.990 425 V HN 0.642 nan 8.190 nan 0.000 0.430 426 Y N 2.433 122.671 120.300 -0.104 0.000 2.387 426 Y HA 0.800 5.353 4.550 0.005 0.000 0.336 426 Y C 0.419 176.355 175.900 0.059 0.000 1.067 426 Y CA -0.510 57.498 58.100 -0.153 0.000 1.114 426 Y CB 2.107 40.107 38.460 -0.766 0.000 1.208 426 Y HN 0.746 nan 8.280 nan 0.000 0.458 427 A N 2.900 126.089 122.820 0.615 0.000 2.449 427 A HA 0.825 5.149 4.320 0.007 0.000 0.302 427 A C -1.884 176.100 177.584 0.667 0.000 1.048 427 A CA -0.683 51.608 52.037 0.424 0.000 0.708 427 A CB 1.028 20.098 19.000 0.116 0.000 1.274 427 A HN 0.755 nan 8.150 nan 0.000 0.410 428 Y N -0.503 120.035 120.300 0.396 0.000 2.644 428 Y HA 0.825 5.378 4.550 0.005 0.000 0.338 428 Y C -1.177 174.888 175.900 0.275 0.000 1.119 428 Y CA -1.664 56.627 58.100 0.318 0.000 1.060 428 Y CB 1.381 40.018 38.460 0.295 0.000 1.294 428 Y HN 0.727 nan 8.280 nan 0.000 0.472 429 I N 2.630 123.517 120.570 0.528 0.000 2.499 429 I HA 0.454 4.628 4.170 0.007 0.000 0.288 429 I C -1.943 174.513 176.117 0.566 0.000 1.048 429 I CA -0.990 60.576 61.300 0.444 0.000 1.062 429 I CB 1.199 39.386 38.000 0.312 0.000 1.238 429 I HN 0.724 nan 8.210 nan 0.000 0.426 430 F N 7.302 127.544 119.950 0.486 0.000 2.411 430 F HA 0.407 4.939 4.527 0.008 0.000 0.355 430 F C 0.636 176.596 175.800 0.266 0.000 1.117 430 F CA 0.151 58.375 58.000 0.374 0.000 1.139 430 F CB 0.973 40.209 39.000 0.394 0.000 1.120 430 F HN 0.556 nan 8.300 nan 0.000 0.493 431 E N 2.903 122.987 120.200 -0.194 0.000 2.562 431 E HA -0.024 4.330 4.350 0.007 0.000 0.214 431 E C -0.750 175.749 176.600 -0.169 0.000 0.979 431 E CA -0.156 56.202 56.400 -0.070 0.000 1.002 431 E CB 0.265 29.950 29.700 -0.026 0.000 1.048 431 E HN 0.528 nan 8.360 nan 0.000 0.488 432 H N 1.427 120.135 119.070 -0.604 0.000 2.562 432 H HA 0.212 4.772 4.556 0.006 0.000 0.314 432 H C -0.408 174.913 175.328 -0.012 0.000 1.079 432 H CA -0.321 55.473 56.048 -0.424 0.000 1.349 432 H CB 0.508 29.818 29.762 -0.753 0.000 1.432 432 H HN -0.159 nan 8.280 nan 0.000 0.479 433 R N 4.245 124.422 120.500 -0.538 0.000 2.196 433 R HA 0.445 4.790 4.340 0.007 0.000 0.340 433 R C -0.498 175.557 176.300 -0.409 0.000 1.043 433 R CA -0.618 55.316 56.100 -0.276 0.000 0.883 433 R CB 0.184 30.394 30.300 -0.149 0.000 1.078 433 R HN 0.836 nan 8.270 nan 0.000 0.462 434 A N 3.019 125.905 122.820 0.110 0.000 2.587 434 A HA -0.069 4.255 4.320 0.007 0.000 0.235 434 A C 1.338 179.016 177.584 0.156 0.000 1.044 434 A CA 0.772 53.062 52.037 0.422 0.000 0.754 434 A CB 0.242 19.588 19.000 0.577 0.000 0.968 434 A HN 0.996 nan 8.150 nan 0.000 0.509 435 S N 1.135 116.960 115.700 0.208 0.000 2.481 435 S HA -0.121 4.353 4.470 0.007 0.000 0.231 435 S C 1.335 175.924 174.600 -0.020 0.000 0.996 435 S CA 1.422 59.669 58.200 0.078 0.000 0.942 435 S CB -0.655 62.614 63.200 0.116 0.000 0.768 435 S HN 1.287 nan 8.310 nan 0.000 0.520 436 T N -0.992 113.517 114.554 -0.076 0.000 3.107 436 T HA 0.358 4.712 4.350 0.007 0.000 0.249 436 T C 0.411 175.034 174.700 -0.129 0.000 1.096 436 T CA -0.518 61.469 62.100 -0.188 0.000 1.012 436 T CB -0.481 68.132 68.868 -0.425 0.000 0.977 436 T HN 0.227 nan 8.240 nan 0.000 0.527 437 L N 3.716 124.904 121.223 -0.058 0.000 2.514 437 L HA 0.220 4.564 4.340 0.007 0.000 0.280 437 L C 1.556 178.365 176.870 -0.100 0.000 1.223 437 L CA 0.944 55.741 54.840 -0.071 0.000 0.864 437 L CB 0.855 42.880 42.059 -0.057 0.000 1.118 437 L HN 0.432 nan 8.230 nan 0.000 0.494 438 T N -1.531 112.921 114.554 -0.169 0.000 3.054 438 T HA 0.151 4.505 4.350 0.007 0.000 0.255 438 T C 0.121 174.798 174.700 -0.038 0.000 1.035 438 T CA -0.471 61.530 62.100 -0.166 0.000 0.941 438 T CB -0.297 68.357 68.868 -0.356 0.000 1.026 438 T HN 0.353 nan 8.240 nan 0.000 0.533 439 W N 3.464 124.759 121.300 -0.008 0.000 2.251 439 W HA 0.439 5.104 4.660 0.008 0.000 0.329 439 W C -2.064 174.360 176.519 -0.158 0.000 1.234 439 W CA -2.338 54.988 57.345 -0.032 0.000 1.228 439 W CB 0.322 29.683 29.460 -0.164 0.000 1.135 439 W HN -0.061 nan 8.180 nan 0.000 0.576 440 P HA -0.035 nan 4.420 nan 0.000 0.270 440 P C 0.545 177.764 177.300 -0.135 0.000 1.223 440 P CA 0.205 63.262 63.100 -0.072 0.000 0.785 440 P CB 0.840 32.492 31.700 -0.079 0.000 0.923 441 L N 0.447 121.661 121.223 -0.014 0.000 2.187 441 L HA -0.138 4.206 4.340 0.007 0.000 0.213 441 L C 2.618 179.520 176.870 0.054 0.000 1.100 441 L CA 1.359 56.210 54.840 0.018 0.000 0.765 441 L CB -1.061 41.035 42.059 0.062 0.000 0.904 441 L HN 0.599 nan 8.230 nan 0.000 0.437 442 W N -0.280 121.064 121.300 0.073 0.000 2.392 442 W HA -0.144 4.520 4.660 0.006 0.000 0.279 442 W C 1.752 178.325 176.519 0.090 0.000 1.225 442 W CA 0.539 57.930 57.345 0.077 0.000 1.233 442 W CB -0.787 28.721 29.460 0.080 0.000 1.122 442 W HN 0.175 nan 8.180 nan 0.000 0.561 443 M N 1.459 120.757 119.600 -0.505 0.000 2.630 443 M HA 0.106 4.591 4.480 0.007 0.000 0.254 443 M C 1.738 177.950 176.300 -0.146 0.000 1.092 443 M CA 1.458 56.450 55.300 -0.514 0.000 1.087 443 M CB -0.746 31.399 32.600 -0.757 0.000 1.453 443 M HN 0.207 nan 8.290 nan 0.000 0.509 444 G N 0.626 109.400 108.800 -0.045 0.000 2.583 444 G HA2 -0.291 3.674 3.960 0.007 0.000 0.292 444 G HA3 -0.291 3.674 3.960 0.007 0.000 0.292 444 G C -0.182 174.729 174.900 0.019 0.000 1.203 444 G CA -0.202 44.914 45.100 0.026 0.000 0.987 444 G HN 0.230 nan 8.290 nan 0.000 0.554 445 V N 3.732 123.701 119.914 0.091 0.000 2.288 445 V HA 0.470 4.594 4.120 0.007 0.000 0.266 445 V C -1.772 174.438 176.094 0.193 0.000 1.048 445 V CA -0.749 61.651 62.300 0.166 0.000 0.842 445 V CB 1.138 33.129 31.823 0.281 0.000 1.064 445 V HN 0.554 nan 8.190 nan 0.000 0.472 446 P HA 0.222 nan 4.420 nan 0.000 0.278 446 P C -0.262 177.246 177.300 0.347 0.000 1.258 446 P CA -0.683 62.504 63.100 0.145 0.000 0.811 446 P CB 0.384 32.011 31.700 -0.122 0.000 1.063 447 H N 0.789 119.961 119.070 0.169 0.000 3.231 447 H HA 0.163 4.723 4.556 0.006 0.000 0.280 447 H C 1.577 176.934 175.328 0.047 0.000 0.901 447 H CA 2.520 58.652 56.048 0.141 0.000 1.414 447 H CB -0.907 28.943 29.762 0.146 0.000 1.433 447 H HN 0.756 nan 8.280 nan 0.000 0.549 448 G N 3.532 112.215 108.800 -0.195 0.000 2.232 448 G HA2 -0.299 3.665 3.960 0.007 0.000 0.226 448 G HA3 -0.299 3.665 3.960 0.007 0.000 0.226 448 G C 0.611 175.461 174.900 -0.083 0.000 0.996 448 G CA 0.238 45.182 45.100 -0.259 0.000 0.626 448 G HN 0.614 nan 8.290 nan 0.000 0.509 449 Y N 1.852 122.268 120.300 0.194 0.000 2.462 449 Y HA 0.235 4.789 4.550 0.006 0.000 0.293 449 Y C 2.340 178.349 175.900 0.182 0.000 1.195 449 Y CA 0.984 59.243 58.100 0.264 0.000 1.276 449 Y CB 0.386 39.034 38.460 0.314 0.000 1.082 449 Y HN 0.499 nan 8.280 nan 0.000 0.514 450 E N 0.161 120.317 120.200 -0.073 0.000 2.340 450 E HA -0.061 4.294 4.350 0.007 0.000 0.194 450 E C 1.651 178.160 176.600 -0.152 0.000 0.996 450 E CA 0.630 56.686 56.400 -0.573 0.000 0.869 450 E CB -0.493 28.471 29.700 -1.227 0.000 0.835 450 E HN 0.529 nan 8.360 nan 0.000 0.493 451 I N 3.026 123.589 120.570 -0.011 0.000 2.118 451 I HA -0.329 3.845 4.170 0.007 0.000 0.241 451 I C 2.777 178.901 176.117 0.011 0.000 1.070 451 I CA 2.281 63.617 61.300 0.061 0.000 1.327 451 I CB -0.604 37.492 38.000 0.160 0.000 1.034 451 I HN 0.226 nan 8.210 nan 0.000 0.405 452 E N 1.228 121.370 120.200 -0.095 0.000 2.209 452 E HA -0.243 4.111 4.350 0.007 0.000 0.196 452 E C 2.048 178.400 176.600 -0.414 0.000 0.993 452 E CA 1.558 57.797 56.400 -0.269 0.000 0.819 452 E CB -0.514 29.000 29.700 -0.312 0.000 0.745 452 E HN 0.475 nan 8.360 nan 0.000 0.477 453 F N 1.194 121.036 119.950 -0.180 0.000 2.149 453 F HA 0.081 4.614 4.527 0.010 0.000 0.294 453 F C 2.396 177.971 175.800 -0.374 0.000 1.095 453 F CA 0.722 58.559 58.000 -0.271 0.000 1.276 453 F CB -0.262 38.646 39.000 -0.153 0.000 1.023 453 F HN -0.093 nan 8.300 nan 0.000 0.480 454 I N -1.108 119.309 120.570 -0.255 0.000 2.335 454 I HA -0.305 3.869 4.170 0.007 0.000 0.251 454 I C 1.791 177.670 176.117 -0.397 0.000 1.129 454 I CA 1.432 62.424 61.300 -0.513 0.000 1.402 454 I CB -0.427 37.096 38.000 -0.795 0.000 1.069 454 I HN 0.030 nan 8.210 nan 0.000 0.424 455 F N 0.454 120.222 119.950 -0.303 0.000 2.743 455 F HA 0.200 4.731 4.527 0.007 0.000 0.297 455 F C 1.854 177.513 175.800 -0.234 0.000 1.131 455 F CA 0.734 58.595 58.000 -0.232 0.000 1.426 455 F CB -0.048 38.798 39.000 -0.258 0.000 1.116 455 F HN 0.152 nan 8.300 nan 0.000 0.583 456 G N 0.259 108.910 108.800 -0.249 0.000 2.160 456 G HA2 -0.299 3.665 3.960 0.007 0.000 0.244 456 G HA3 -0.299 3.665 3.960 0.007 0.000 0.244 456 G C 0.976 175.303 174.900 -0.955 0.000 1.022 456 G CA 0.307 45.132 45.100 -0.460 0.000 0.741 456 G HN 0.304 nan 8.290 nan 0.000 0.508 457 L N 0.331 121.055 121.223 -0.831 0.000 2.079 457 L HA 0.017 4.361 4.340 0.007 0.000 0.210 457 L C 0.487 176.809 176.870 -0.914 0.000 1.081 457 L CA 2.779 57.078 54.840 -0.902 0.000 0.752 457 L CB -0.869 40.899 42.059 -0.484 0.000 0.896 457 L HN 0.217 nan 8.230 nan 0.000 0.433 458 P HA -0.163 nan 4.420 nan 0.000 0.223 458 P C 1.695 178.716 177.300 -0.465 0.000 1.144 458 P CA 1.157 63.617 63.100 -1.066 0.000 0.783 458 P CB -0.055 31.057 31.700 -0.979 0.000 0.771 459 L N -1.571 119.331 121.223 -0.535 0.000 2.465 459 L HA -0.013 4.331 4.340 0.007 0.000 0.224 459 L C 0.983 177.743 176.870 -0.183 0.000 1.145 459 L CA 0.622 55.273 54.840 -0.315 0.000 0.834 459 L CB -0.764 41.121 42.059 -0.289 0.000 0.944 459 L HN -0.010 nan 8.230 nan 0.000 0.451 460 D N 1.719 121.975 120.400 -0.239 0.000 2.374 460 D HA 0.072 4.716 4.640 0.007 0.000 0.240 460 D C -1.298 175.013 176.300 0.018 0.000 1.229 460 D CA -2.028 51.971 54.000 -0.003 0.000 0.895 460 D CB 1.382 42.218 40.800 0.059 0.000 1.046 460 D HN -0.010 nan 8.370 nan 0.000 0.498 461 P HA -0.164 nan 4.420 nan 0.000 0.218 461 P C 1.097 178.412 177.300 0.026 0.000 1.148 461 P CA 0.848 63.964 63.100 0.027 0.000 0.822 461 P CB 0.019 31.732 31.700 0.021 0.000 0.784 462 S N -1.190 114.523 115.700 0.022 0.000 2.660 462 S HA 0.020 4.495 4.470 0.007 0.000 0.228 462 S C 1.548 176.142 174.600 -0.009 0.000 0.966 462 S CA 0.203 58.406 58.200 0.004 0.000 0.940 462 S CB -1.347 61.854 63.200 0.003 0.000 0.773 462 S HN 0.117 nan 8.310 nan 0.000 0.535 463 L N 0.679 121.911 121.223 0.014 0.000 2.667 463 L HA 0.280 4.624 4.340 0.007 0.000 0.232 463 L C 0.102 176.898 176.870 -0.124 0.000 1.138 463 L CA -0.284 54.543 54.840 -0.022 0.000 0.921 463 L CB -0.498 41.617 42.059 0.093 0.000 1.180 463 L HN 0.217 nan 8.230 nan 0.000 0.487 464 N N -1.151 117.512 118.700 -0.063 0.000 2.741 464 N HA -0.245 4.499 4.740 0.007 0.000 0.250 464 N C -0.465 174.972 175.510 -0.122 0.000 1.115 464 N CA 0.926 53.921 53.050 -0.092 0.000 0.724 464 N CB -1.809 36.601 38.487 -0.128 0.000 1.090 464 N HN 0.290 nan 8.380 nan 0.000 0.558 465 Y N 0.963 121.243 120.300 -0.034 0.000 2.326 465 Y HA 0.169 4.723 4.550 0.007 0.000 0.333 465 Y C 1.850 177.767 175.900 0.028 0.000 1.240 465 Y CA 0.053 58.155 58.100 0.003 0.000 1.365 465 Y CB 0.564 39.007 38.460 -0.027 0.000 1.289 465 Y HN 0.079 nan 8.280 nan 0.000 0.548 466 T N -2.092 112.608 114.554 0.243 0.000 2.900 466 T HA 0.016 4.370 4.350 0.007 0.000 0.307 466 T C 1.183 175.962 174.700 0.133 0.000 1.065 466 T CA -0.301 61.891 62.100 0.152 0.000 1.105 466 T CB 0.879 69.830 68.868 0.138 0.000 0.979 466 T HN 0.756 nan 8.240 nan 0.000 0.544 467 T N 1.790 116.392 114.554 0.080 0.000 2.759 467 T HA -0.115 4.240 4.350 0.007 0.000 0.269 467 T C 1.776 176.509 174.700 0.055 0.000 1.042 467 T CA 1.966 64.099 62.100 0.055 0.000 1.140 467 T CB -0.408 68.481 68.868 0.034 0.000 0.864 467 T HN 0.783 nan 8.240 nan 0.000 0.455 468 E N 1.002 121.234 120.200 0.052 0.000 2.077 468 E HA -0.099 4.255 4.350 0.007 0.000 0.193 468 E C 2.262 178.900 176.600 0.062 0.000 0.989 468 E CA 1.024 57.440 56.400 0.027 0.000 0.800 468 E CB -0.145 29.546 29.700 -0.015 0.000 0.746 468 E HN 0.564 nan 8.360 nan 0.000 0.452 469 E N 0.211 120.492 120.200 0.134 0.000 2.077 469 E HA -0.181 4.174 4.350 0.007 0.000 0.193 469 E C 2.106 178.834 176.600 0.213 0.000 0.989 469 E CA 0.565 57.135 56.400 0.284 0.000 0.800 469 E CB 0.003 29.995 29.700 0.487 0.000 0.746 469 E HN 0.029 nan 8.360 nan 0.000 0.452 470 R N 1.071 121.625 120.500 0.089 0.000 2.083 470 R HA -0.178 4.166 4.340 0.007 0.000 0.237 470 R C 2.167 178.469 176.300 0.004 0.000 1.137 470 R CA 1.407 57.502 56.100 -0.008 0.000 0.951 470 R CB -0.523 29.770 30.300 -0.012 0.000 0.851 470 R HN 0.229 nan 8.270 nan 0.000 0.434 471 I N 0.272 120.867 120.570 0.041 0.000 2.179 471 I HA -0.289 3.885 4.170 0.007 0.000 0.242 471 I C 2.346 178.507 176.117 0.073 0.000 1.088 471 I CA 1.100 62.421 61.300 0.035 0.000 1.357 471 I CB -0.451 37.570 38.000 0.035 0.000 1.051 471 I HN 0.098 nan 8.210 nan 0.000 0.409 472 F N 1.992 121.903 119.950 -0.066 0.000 2.120 472 F HA -0.296 4.235 4.527 0.006 0.000 0.300 472 F C 2.407 178.191 175.800 -0.027 0.000 1.095 472 F CA 1.439 59.391 58.000 -0.080 0.000 1.249 472 F CB -0.638 38.264 39.000 -0.162 0.000 0.995 472 F HN 0.034 nan 8.300 nan 0.000 0.480 473 A N 0.048 122.818 122.820 -0.083 0.000 1.930 473 A HA -0.184 4.140 4.320 0.007 0.000 0.217 473 A C 2.143 179.597 177.584 -0.217 0.000 1.175 473 A CA 1.474 53.389 52.037 -0.205 0.000 0.627 473 A CB -0.757 18.136 19.000 -0.178 0.000 0.815 473 A HN 0.592 nan 8.150 nan 0.000 0.443 474 Q N -0.506 119.205 119.800 -0.149 0.000 2.061 474 Q HA -0.224 4.120 4.340 0.007 0.000 0.204 474 Q C 2.333 178.228 176.000 -0.175 0.000 0.984 474 Q CA 1.637 57.361 55.803 -0.132 0.000 0.846 474 Q CB -0.283 28.404 28.738 -0.084 0.000 0.902 474 Q HN 0.622 nan 8.270 nan 0.000 0.421 475 R N 0.429 120.809 120.500 -0.199 0.000 2.083 475 R HA -0.126 4.219 4.340 0.007 0.000 0.237 475 R C 2.409 178.410 176.300 -0.498 0.000 1.137 475 R CA 1.271 57.168 56.100 -0.337 0.000 0.951 475 R CB -0.286 29.887 30.300 -0.212 0.000 0.851 475 R HN 0.238 nan 8.270 nan 0.000 0.434 476 L N -0.149 120.880 121.223 -0.323 0.000 2.056 476 L HA -0.156 4.189 4.340 0.007 0.000 0.207 476 L C 2.539 179.368 176.870 -0.068 0.000 1.078 476 L CA 1.180 55.936 54.840 -0.139 0.000 0.749 476 L CB -0.316 41.520 42.059 -0.372 0.000 0.901 476 L HN 0.241 nan 8.230 nan 0.000 0.433 477 M N -0.521 118.974 119.600 -0.174 0.000 2.144 477 M HA -0.248 4.237 4.480 0.007 0.000 0.260 477 M C 2.301 178.595 176.300 -0.009 0.000 1.067 477 M CA 1.771 57.005 55.300 -0.110 0.000 1.095 477 M CB -0.341 32.178 32.600 -0.135 0.000 1.365 477 M HN 0.128 nan 8.290 nan 0.000 0.406 478 K N -0.515 119.841 120.400 -0.073 0.000 2.025 478 K HA -0.146 4.179 4.320 0.007 0.000 0.207 478 K C 1.917 178.575 176.600 0.096 0.000 1.049 478 K CA 1.446 57.707 56.287 -0.044 0.000 0.933 478 K CB -0.243 32.176 32.500 -0.135 0.000 0.714 478 K HN 0.251 nan 8.250 nan 0.000 0.438 479 Y N 0.162 120.586 120.300 0.207 0.000 2.081 479 Y HA -0.270 4.285 4.550 0.010 0.000 0.280 479 Y C 2.309 178.357 175.900 0.246 0.000 1.163 479 Y CA 0.898 59.160 58.100 0.270 0.000 1.135 479 Y CB -0.939 37.823 38.460 0.503 0.000 0.970 479 Y HN 0.246 nan 8.280 nan 0.000 0.498 480 W N 0.645 122.032 121.300 0.145 0.000 2.355 480 W HA -0.240 4.423 4.660 0.006 0.000 0.309 480 W C 2.516 179.041 176.519 0.011 0.000 1.206 480 W CA 2.312 59.677 57.345 0.033 0.000 1.284 480 W CB -0.632 28.777 29.460 -0.084 0.000 1.145 480 W HN 0.247 nan 8.180 nan 0.000 0.502 481 T N -2.001 112.665 114.554 0.187 0.000 2.857 481 T HA -0.144 4.211 4.350 0.007 0.000 0.266 481 T C 1.437 176.167 174.700 0.051 0.000 1.048 481 T CA 1.178 63.317 62.100 0.065 0.000 1.139 481 T CB -0.679 68.205 68.868 0.026 0.000 0.874 481 T HN -0.073 nan 8.240 nan 0.000 0.455 482 N N 1.018 119.766 118.700 0.080 0.000 2.104 482 N HA -0.039 4.705 4.740 0.007 0.000 0.190 482 N C 1.364 176.879 175.510 0.008 0.000 1.024 482 N CA 1.049 54.127 53.050 0.046 0.000 0.853 482 N CB -0.677 37.857 38.487 0.078 0.000 1.008 482 N HN 0.478 nan 8.380 nan 0.000 0.424 483 F N 1.463 121.337 119.950 -0.128 0.000 2.134 483 F HA -0.055 4.477 4.527 0.007 0.000 0.299 483 F C 2.156 177.879 175.800 -0.129 0.000 1.097 483 F CA 1.218 59.094 58.000 -0.206 0.000 1.264 483 F CB -0.385 38.405 39.000 -0.351 0.000 1.001 483 F HN 0.031 nan 8.300 nan 0.000 0.479 484 A N 0.481 123.242 122.820 -0.098 0.000 1.877 484 A HA -0.202 4.122 4.320 0.007 0.000 0.216 484 A C 2.405 179.889 177.584 -0.166 0.000 1.186 484 A CA 1.754 53.706 52.037 -0.142 0.000 0.620 484 A CB -0.880 18.092 19.000 -0.047 0.000 0.822 484 A HN 0.427 nan 8.150 nan 0.000 0.443 485 R N -1.015 119.420 120.500 -0.109 0.000 2.081 485 R HA -0.130 4.214 4.340 0.007 0.000 0.235 485 R C 2.090 178.316 176.300 -0.124 0.000 1.131 485 R CA 2.154 58.200 56.100 -0.090 0.000 0.960 485 R CB -0.132 30.140 30.300 -0.047 0.000 0.856 485 R HN 0.719 nan 8.270 nan 0.000 0.436 486 T N -6.212 108.244 114.554 -0.163 0.000 2.954 486 T HA 0.242 4.596 4.350 0.007 0.000 0.252 486 T C 1.114 175.687 174.700 -0.212 0.000 0.983 486 T CA 0.495 62.508 62.100 -0.145 0.000 0.941 486 T CB 1.171 69.990 68.868 -0.081 0.000 1.141 486 T HN 0.332 nan 8.240 nan 0.000 0.500 487 G N 1.264 109.818 108.800 -0.411 0.000 2.141 487 G HA2 -0.151 3.813 3.960 0.007 0.000 0.242 487 G HA3 -0.151 3.813 3.960 0.007 0.000 0.242 487 G C -0.392 174.416 174.900 -0.152 0.000 0.982 487 G CA 0.165 44.931 45.100 -0.556 0.000 0.662 487 G HN 0.785 nan 8.290 nan 0.000 0.527 488 D N -0.516 119.808 120.400 -0.128 0.000 2.696 488 D HA 0.494 5.138 4.640 0.007 0.000 0.251 488 D C -1.227 174.943 176.300 -0.217 0.000 1.188 488 D CA -1.838 52.060 54.000 -0.170 0.000 0.876 488 D CB 2.227 43.002 40.800 -0.042 0.000 1.334 488 D HN -0.004 nan 8.370 nan 0.000 0.540 489 P HA -0.044 nan 4.420 nan 0.000 0.229 489 P C 0.109 177.436 177.300 0.045 0.000 1.160 489 P CA 0.172 63.116 63.100 -0.260 0.000 0.777 489 P CB 0.427 31.677 31.700 -0.750 0.000 0.814 490 N N 1.461 120.155 118.700 -0.010 0.000 2.508 490 N HA 0.007 4.751 4.740 0.007 0.000 0.264 490 N C 0.107 175.688 175.510 0.118 0.000 1.216 490 N CA 0.431 53.565 53.050 0.140 0.000 0.943 490 N CB 0.501 39.062 38.487 0.123 0.000 1.113 490 N HN 0.066 nan 8.380 nan 0.000 0.447 491 D N 1.400 121.884 120.400 0.140 0.000 2.312 491 D HA 0.123 4.768 4.640 0.007 0.000 0.252 491 D C -1.460 174.882 176.300 0.071 0.000 1.150 491 D CA -1.557 52.496 54.000 0.089 0.000 0.870 491 D CB 1.559 42.406 40.800 0.078 0.000 1.153 491 D HN 0.243 nan 8.370 nan 0.000 0.457 492 P HA -0.076 nan 4.420 nan 0.000 0.213 492 P C 1.223 178.548 177.300 0.042 0.000 1.170 492 P CA 1.037 64.163 63.100 0.043 0.000 0.893 492 P CB 0.320 32.038 31.700 0.029 0.000 0.784 493 R N -0.610 119.912 120.500 0.036 0.000 2.105 493 R HA -0.090 4.254 4.340 0.007 0.000 0.239 493 R C 1.137 177.460 176.300 0.038 0.000 1.135 493 R CA 0.910 57.030 56.100 0.032 0.000 0.967 493 R CB -0.981 29.334 30.300 0.026 0.000 0.861 493 R HN 0.301 nan 8.270 nan 0.000 0.442 494 D N -0.416 120.012 120.400 0.046 0.000 2.361 494 D HA 0.072 4.716 4.640 0.007 0.000 0.239 494 D C -0.854 175.482 176.300 0.060 0.000 1.200 494 D CA 0.545 54.577 54.000 0.053 0.000 0.915 494 D CB 0.969 41.808 40.800 0.065 0.000 1.170 494 D HN -0.135 nan 8.370 nan 0.000 0.444 495 S N 0.212 115.948 115.700 0.059 0.000 2.446 495 S HA 0.426 4.900 4.470 0.007 0.000 0.230 495 S C -1.212 173.422 174.600 0.057 0.000 1.051 495 S CA -0.014 58.220 58.200 0.057 0.000 1.113 495 S CB -0.093 63.134 63.200 0.045 0.000 1.184 495 S HN 0.731 nan 8.310 nan 0.000 0.435 496 K N 1.790 122.231 120.400 0.068 0.000 5.029 496 K HA -0.114 4.210 4.320 0.007 0.000 0.303 496 K C 0.281 176.913 176.600 0.053 0.000 0.753 496 K CA 1.252 57.578 56.287 0.065 0.000 0.889 496 K CB -2.520 30.014 32.500 0.057 0.000 1.950 496 K HN 1.991 nan 8.250 nan 0.000 0.390 497 S N 1.206 116.941 115.700 0.057 0.000 3.509 497 S HA -0.090 4.385 4.470 0.007 0.000 0.314 497 S C -0.999 173.660 174.600 0.099 0.000 0.844 497 S CA 0.120 58.367 58.200 0.078 0.000 1.361 497 S CB -0.608 62.641 63.200 0.081 0.000 1.359 497 S HN 1.002 nan 8.310 nan 0.000 0.501 498 P HA 0.088 nan 4.420 nan 0.000 0.267 498 P C -0.113 177.266 177.300 0.133 0.000 1.200 498 P CA -0.037 63.118 63.100 0.091 0.000 0.772 498 P CB 0.462 32.199 31.700 0.062 0.000 0.855 499 Q N 0.772 120.655 119.800 0.137 0.000 2.260 499 Q HA 0.170 4.515 4.340 0.007 0.000 0.242 499 Q C -0.559 175.591 176.000 0.251 0.000 0.932 499 Q CA 0.089 56.008 55.803 0.193 0.000 0.891 499 Q CB 0.926 29.766 28.738 0.170 0.000 1.222 499 Q HN 0.583 nan 8.270 nan 0.000 0.453 500 W N 5.744 127.095 121.300 0.085 0.000 2.283 500 W HA 0.340 5.003 4.660 0.006 0.000 0.317 500 W C -2.460 174.201 176.519 0.237 0.000 1.042 500 W CA -2.575 54.833 57.345 0.105 0.000 1.348 500 W CB 0.562 30.017 29.460 -0.007 0.000 1.216 500 W HN 0.369 nan 8.180 nan 0.000 0.404 501 P HA 0.279 nan 4.420 nan 0.000 0.281 501 P C -2.589 174.905 177.300 0.323 0.000 1.249 501 P CA -1.712 61.609 63.100 0.369 0.000 0.810 501 P CB 0.917 32.754 31.700 0.227 0.000 1.008 502 P HA 0.008 nan 4.420 nan 0.000 0.267 502 P C -0.626 176.672 177.300 -0.004 0.000 1.200 502 P CA 0.311 63.219 63.100 -0.321 0.000 0.772 502 P CB 0.019 31.517 31.700 -0.335 0.000 0.855 503 Y N 2.846 123.094 120.300 -0.088 0.000 2.359 503 Y HA 0.352 4.908 4.550 0.011 0.000 0.334 503 Y C 0.327 176.221 175.900 -0.010 0.000 1.058 503 Y CA 0.291 58.408 58.100 0.028 0.000 1.244 503 Y CB 0.217 38.720 38.460 0.072 0.000 1.187 503 Y HN 0.374 nan 8.280 nan 0.000 0.510 504 T N 0.212 114.473 114.554 -0.488 0.000 2.930 504 T HA 0.264 4.618 4.350 0.007 0.000 0.290 504 T C 0.988 175.377 174.700 -0.519 0.000 1.052 504 T CA -0.183 61.713 62.100 -0.340 0.000 1.017 504 T CB 1.317 70.080 68.868 -0.175 0.000 1.137 504 T HN 0.636 nan 8.240 nan 0.000 0.511 505 T N -0.926 113.492 114.554 -0.227 0.000 2.867 505 T HA 0.023 4.377 4.350 0.007 0.000 0.268 505 T C 2.285 176.912 174.700 -0.122 0.000 1.057 505 T CA 0.865 62.880 62.100 -0.140 0.000 1.136 505 T CB -0.844 68.010 68.868 -0.025 0.000 0.874 505 T HN 0.831 nan 8.240 nan 0.000 0.466 506 A N 1.893 124.649 122.820 -0.106 0.000 1.858 506 A HA 0.392 4.716 4.320 0.007 0.000 0.216 506 A C 2.670 180.208 177.584 -0.077 0.000 1.190 506 A CA 1.877 53.874 52.037 -0.067 0.000 0.617 506 A CB -1.180 17.792 19.000 -0.048 0.000 0.827 506 A HN 0.744 nan 8.150 nan 0.000 0.443 507 A N -2.723 120.025 122.820 -0.120 0.000 2.085 507 A HA 0.309 4.634 4.320 0.007 0.000 0.208 507 A C 0.968 178.491 177.584 -0.101 0.000 1.191 507 A CA 0.868 52.855 52.037 -0.083 0.000 0.799 507 A CB -0.123 18.844 19.000 -0.056 0.000 0.877 507 A HN 0.522 nan 8.150 nan 0.000 0.473 508 Q N -0.015 119.606 119.800 -0.297 0.000 2.457 508 Q HA -0.210 4.134 4.340 0.007 0.000 0.283 508 Q C -0.752 175.340 176.000 0.153 0.000 1.234 508 Q CA 0.701 56.312 55.803 -0.319 0.000 0.877 508 Q CB -1.690 27.055 28.738 0.012 0.000 1.250 508 Q HN 0.832 nan 8.270 nan 0.000 0.481 509 Q N 0.350 120.213 119.800 0.105 0.000 2.327 509 Q HA 0.453 4.797 4.340 0.007 0.000 0.254 509 Q C -0.334 175.981 176.000 0.526 0.000 0.952 509 Q CA 0.169 56.117 55.803 0.241 0.000 0.884 509 Q CB 0.579 29.395 28.738 0.131 0.000 1.224 509 Q HN 0.343 nan 8.270 nan 0.000 0.422 510 Y N -2.233 118.221 120.300 0.255 0.000 2.592 510 Y HA 0.589 5.152 4.550 0.021 0.000 0.334 510 Y C -1.075 174.858 175.900 0.055 0.000 1.136 510 Y CA -1.539 56.709 58.100 0.247 0.000 1.042 510 Y CB 0.415 39.013 38.460 0.230 0.000 1.325 510 Y HN 0.373 nan 8.280 nan 0.000 0.457 511 V N 0.275 120.127 119.914 -0.104 0.000 2.713 511 V HA 0.826 4.951 4.120 0.007 0.000 0.307 511 V C 0.108 176.127 176.094 -0.125 0.000 1.052 511 V CA -0.313 61.769 62.300 -0.364 0.000 0.967 511 V CB 1.207 32.514 31.823 -0.859 0.000 1.019 511 V HN 1.181 nan 8.190 nan 0.000 0.459 512 S N 3.917 119.540 115.700 -0.128 0.000 2.537 512 S HA 0.679 5.154 4.470 0.007 0.000 0.275 512 S C -0.537 174.035 174.600 -0.047 0.000 1.272 512 S CA -0.687 57.510 58.200 -0.004 0.000 1.050 512 S CB 0.617 63.803 63.200 -0.024 0.000 0.961 512 S HN 0.749 nan 8.310 nan 0.000 0.496 513 L N 4.046 125.288 121.223 0.031 0.000 2.295 513 L HA 0.528 4.872 4.340 0.007 0.000 0.281 513 L C -0.343 176.452 176.870 -0.125 0.000 1.018 513 L CA -0.445 54.427 54.840 0.053 0.000 0.841 513 L CB 0.342 42.515 42.059 0.191 0.000 1.218 513 L HN 0.958 nan 8.230 nan 0.000 0.424 514 N N 1.945 120.513 118.700 -0.219 0.000 3.344 514 N HA 0.359 5.104 4.740 0.007 0.000 0.296 514 N C 0.221 175.204 175.510 -0.879 0.000 1.571 514 N CA -0.994 51.658 53.050 -0.664 0.000 0.844 514 N CB 0.680 38.942 38.487 -0.375 0.000 1.718 514 N HN 0.181 nan 8.380 nan 0.000 0.589 515 L N -0.829 119.861 121.223 -0.888 0.000 2.275 515 L HA 0.044 4.389 4.340 0.007 0.000 0.215 515 L C 0.554 177.245 176.870 -0.299 0.000 1.119 515 L CA 1.023 55.463 54.840 -0.667 0.000 0.790 515 L CB -0.495 41.253 42.059 -0.517 0.000 0.919 515 L HN 0.378 nan 8.230 nan 0.000 0.443 516 K N 0.218 120.484 120.400 -0.223 0.000 2.126 516 K HA 0.269 4.593 4.320 0.007 0.000 0.257 516 K C -2.150 174.413 176.600 -0.062 0.000 1.007 516 K CA -1.894 54.325 56.287 -0.112 0.000 0.928 516 K CB 0.116 32.561 32.500 -0.091 0.000 1.013 516 K HN -0.205 nan 8.250 nan 0.000 0.473 517 P HA -0.007 nan 4.420 nan 0.000 0.271 517 P C -0.356 176.950 177.300 0.010 0.000 1.233 517 P CA -0.200 62.914 63.100 0.024 0.000 0.789 517 P CB 0.383 32.099 31.700 0.026 0.000 0.951 518 L N 1.183 122.427 121.223 0.035 0.000 2.615 518 L HA -0.052 4.292 4.340 0.007 0.000 0.284 518 L C 1.066 177.902 176.870 -0.057 0.000 1.237 518 L CA 0.875 55.694 54.840 -0.035 0.000 0.905 518 L CB -0.312 41.718 42.059 -0.049 0.000 1.149 518 L HN 0.493 nan 8.230 nan 0.000 0.499 519 E N 3.169 123.310 120.200 -0.098 0.000 2.165 519 E HA 0.356 4.711 4.350 0.007 0.000 0.266 519 E C -1.241 175.267 176.600 -0.153 0.000 0.889 519 E CA -0.779 55.563 56.400 -0.096 0.000 0.756 519 E CB 1.822 31.474 29.700 -0.081 0.000 1.131 519 E HN 0.312 nan 8.360 nan 0.000 0.411 520 V N 5.313 125.150 119.914 -0.129 0.000 2.488 520 V HA 0.312 4.436 4.120 0.007 0.000 0.277 520 V C 0.456 176.412 176.094 -0.230 0.000 1.046 520 V CA -0.001 62.199 62.300 -0.166 0.000 0.986 520 V CB 0.751 32.533 31.823 -0.068 0.000 0.989 520 V HN 0.686 nan 8.190 nan 0.000 0.475 521 R N 3.902 124.129 120.500 -0.455 0.000 2.919 521 R HA 0.777 5.121 4.340 0.007 0.000 0.260 521 R C -0.809 175.254 176.300 -0.396 0.000 1.067 521 R CA -1.095 54.706 56.100 -0.499 0.000 1.003 521 R CB 2.247 32.116 30.300 -0.719 0.000 1.192 521 R HN 0.553 nan 8.270 nan 0.000 0.488 522 R N -0.260 120.193 120.500 -0.078 0.000 2.502 522 R HA 0.437 4.781 4.340 0.007 0.000 0.300 522 R C -1.060 175.412 176.300 0.286 0.000 0.984 522 R CA -0.189 55.984 56.100 0.122 0.000 0.882 522 R CB 2.242 32.580 30.300 0.063 0.000 1.180 522 R HN 0.911 nan 8.270 nan 0.000 0.444 523 G N 3.092 112.139 108.800 0.412 0.000 3.269 523 G HA2 -0.201 3.763 3.960 0.007 0.000 0.668 523 G HA3 -0.201 3.763 3.960 0.007 0.000 0.668 523 G C -0.740 174.370 174.900 0.350 0.000 1.100 523 G CA -0.904 44.398 45.100 0.337 0.000 0.940 523 G HN 0.563 nan 8.290 nan 0.000 0.438 524 L N 3.461 124.782 121.223 0.164 0.000 2.454 524 L HA 0.383 4.727 4.340 0.007 0.000 0.284 524 L C 1.592 178.469 176.870 0.012 0.000 1.139 524 L CA -0.398 54.343 54.840 -0.165 0.000 0.911 524 L CB 0.017 41.883 42.059 -0.322 0.000 1.262 524 L HN 0.826 nan 8.230 nan 0.000 0.453 525 R N 3.038 123.580 120.500 0.071 0.000 3.301 525 R HA -0.303 4.041 4.340 0.007 0.000 0.249 525 R C 1.305 177.697 176.300 0.153 0.000 0.964 525 R CA 0.472 56.650 56.100 0.129 0.000 0.653 525 R CB -0.837 29.542 30.300 0.132 0.000 1.043 525 R HN 0.864 nan 8.270 nan 0.000 0.454 526 A N 0.395 123.307 122.820 0.153 0.000 1.873 526 A HA -0.278 4.046 4.320 0.007 0.000 0.218 526 A C 1.836 179.512 177.584 0.153 0.000 1.193 526 A CA 1.551 53.678 52.037 0.150 0.000 0.629 526 A CB -0.251 18.834 19.000 0.142 0.000 0.826 526 A HN 0.578 nan 8.150 nan 0.000 0.447 527 Q N -0.696 119.193 119.800 0.149 0.000 2.020 527 Q HA -0.127 4.218 4.340 0.007 0.000 0.202 527 Q C 2.300 178.418 176.000 0.197 0.000 0.982 527 Q CA 2.158 58.053 55.803 0.154 0.000 0.838 527 Q CB -1.338 27.480 28.738 0.133 0.000 0.899 527 Q HN 0.664 nan 8.270 nan 0.000 0.423 528 T N 0.808 115.499 114.554 0.229 0.000 2.759 528 T HA -0.142 4.212 4.350 0.007 0.000 0.269 528 T C 2.057 176.953 174.700 0.326 0.000 1.042 528 T CA 1.299 63.543 62.100 0.240 0.000 1.140 528 T CB -0.324 68.738 68.868 0.323 0.000 0.864 528 T HN 0.320 nan 8.240 nan 0.000 0.455 529 c N 1.453 120.240 118.600 0.312 0.000 2.446 529 c HA 0.235 4.810 4.570 0.007 0.000 0.279 529 c C 3.147 177.390 174.090 0.256 0.000 1.366 529 c CA -0.016 56.510 56.329 0.329 0.000 1.763 529 c CB -1.392 41.249 42.510 0.219 0.000 1.929 529 c HN 0.648 nan 8.230 nan 0.000 0.509 530 A N 0.176 123.116 122.820 0.199 0.000 1.978 530 A HA -0.202 4.122 4.320 0.007 0.000 0.220 530 A C 1.854 179.534 177.584 0.160 0.000 1.170 530 A CA 1.636 53.768 52.037 0.159 0.000 0.636 530 A CB -0.759 18.323 19.000 0.137 0.000 0.810 530 A HN 0.571 nan 8.150 nan 0.000 0.448 531 F N -0.737 119.203 119.950 -0.016 0.000 2.075 531 F HA -0.170 4.360 4.527 0.006 0.000 0.297 531 F C 1.936 177.680 175.800 -0.093 0.000 1.113 531 F CA 1.817 59.724 58.000 -0.154 0.000 1.218 531 F CB -0.605 38.041 39.000 -0.590 0.000 0.984 531 F HN 0.369 nan 8.300 nan 0.000 0.472 532 W N 0.495 121.739 121.300 -0.094 0.000 2.436 532 W HA -0.098 4.564 4.660 0.004 0.000 0.284 532 W C 2.056 178.502 176.519 -0.123 0.000 1.225 532 W CA 0.878 58.121 57.345 -0.171 0.000 1.271 532 W CB -0.509 28.990 29.460 0.065 0.000 1.114 532 W HN -0.006 nan 8.180 nan 0.000 0.559 533 N N -0.450 118.347 118.700 0.162 0.000 2.409 533 N HA 0.056 4.801 4.740 0.007 0.000 0.174 533 N C 1.406 176.942 175.510 0.042 0.000 1.037 533 N CA 0.793 53.899 53.050 0.094 0.000 0.898 533 N CB -0.057 38.491 38.487 0.102 0.000 1.010 533 N HN 0.207 nan 8.380 nan 0.000 0.445 534 R N -1.594 118.933 120.500 0.044 0.000 2.310 534 R HA 0.264 4.609 4.340 0.007 0.000 0.199 534 R C 1.212 177.544 176.300 0.054 0.000 0.891 534 R CA -0.076 56.054 56.100 0.050 0.000 1.060 534 R CB -0.007 30.344 30.300 0.084 0.000 1.188 534 R HN 0.003 nan 8.270 nan 0.000 0.607 535 F N 1.288 121.148 119.950 -0.149 0.000 2.148 535 F HA 0.117 4.648 4.527 0.007 0.000 0.285 535 F C 1.831 177.462 175.800 -0.283 0.000 1.092 535 F CA 0.985 58.864 58.000 -0.201 0.000 1.218 535 F CB -0.339 38.556 39.000 -0.176 0.000 1.059 535 F HN -0.178 nan 8.300 nan 0.000 0.490 536 L N 0.649 121.500 121.223 -0.620 0.000 2.051 536 L HA -0.223 4.121 4.340 0.007 0.000 0.214 536 L C -0.461 176.170 176.870 -0.399 0.000 1.076 536 L CA 2.095 56.567 54.840 -0.613 0.000 0.758 536 L CB -2.082 39.663 42.059 -0.524 0.000 0.890 536 L HN 0.161 nan 8.230 nan 0.000 0.433 537 P HA -0.208 nan 4.420 nan 0.000 0.215 537 P C 1.310 178.482 177.300 -0.214 0.000 1.157 537 P CA 1.522 64.519 63.100 -0.172 0.000 0.874 537 P CB -0.073 31.564 31.700 -0.105 0.000 0.790 538 K N -1.250 118.985 120.400 -0.275 0.000 2.283 538 K HA -0.085 4.240 4.320 0.007 0.000 0.202 538 K C 1.853 178.258 176.600 -0.326 0.000 1.048 538 K CA 0.798 56.929 56.287 -0.260 0.000 0.948 538 K CB -0.617 31.754 32.500 -0.216 0.000 0.742 538 K HN 0.120 nan 8.250 nan 0.000 0.458 539 L N 0.563 121.493 121.223 -0.489 0.000 2.270 539 L HA 0.022 4.367 4.340 0.007 0.000 0.210 539 L C 1.195 177.931 176.870 -0.224 0.000 1.104 539 L CA 1.198 55.797 54.840 -0.402 0.000 0.804 539 L CB 0.135 41.863 42.059 -0.552 0.000 0.937 539 L HN 0.027 nan 8.230 nan 0.000 0.450 540 L N -0.862 120.241 121.223 -0.201 0.000 2.928 540 L HA 0.221 4.565 4.340 0.007 0.000 0.236 540 L C 0.699 177.510 176.870 -0.100 0.000 1.290 540 L CA -0.226 54.539 54.840 -0.124 0.000 1.099 540 L CB -0.363 41.634 42.059 -0.103 0.000 1.437 540 L HN 0.011 nan 8.230 nan 0.000 0.493 541 S N 0.000 115.638 115.700 -0.103 0.000 2.498 541 S HA 0.000 4.474 4.470 0.007 0.000 0.327 541 S CA 0.000 58.154 58.200 -0.077 0.000 1.107 541 S CB 0.000 63.153 63.200 -0.079 0.000 0.593 541 S HN 0.000 nan 8.310 nan 0.000 0.517