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 2xuk_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GESAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcPXX XXXGNDTELI 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 SA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.612 176.600 0.021 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 1.114 109.923 108.800 0.016 0.000 2.470 2 G HA2 -0.230 3.735 3.960 0.009 0.000 0.220 2 G HA3 -0.230 3.735 3.960 0.009 0.000 0.220 2 G C 1.658 176.566 174.900 0.013 0.000 1.121 2 G CA 0.963 46.071 45.100 0.013 0.000 0.766 2 G HN 0.067 nan 8.290 nan 0.000 0.553 3 R N 0.553 121.061 120.500 0.013 0.000 2.432 3 R HA 0.236 4.581 4.340 0.009 0.000 0.260 3 R C 0.645 176.953 176.300 0.013 0.000 0.935 3 R CA -0.086 56.021 56.100 0.011 0.000 1.080 3 R CB 0.116 30.421 30.300 0.008 0.000 1.155 3 R HN 0.629 nan 8.270 nan 0.000 0.531 4 E N -1.371 118.840 120.200 0.017 0.000 2.281 4 E HA 0.200 4.556 4.350 0.009 0.000 0.257 4 E C -0.992 175.626 176.600 0.031 0.000 0.971 4 E CA -1.022 55.390 56.400 0.020 0.000 0.839 4 E CB 0.578 30.289 29.700 0.019 0.000 1.238 4 E HN -0.169 nan 8.360 nan 0.000 0.412 5 D N 1.803 122.227 120.400 0.040 0.000 2.412 5 D HA 0.011 4.657 4.640 0.009 0.000 0.257 5 D C -1.244 175.091 176.300 0.059 0.000 1.217 5 D CA -2.018 52.021 54.000 0.064 0.000 0.897 5 D CB 0.970 41.830 40.800 0.101 0.000 1.132 5 D HN 0.197 nan 8.370 nan 0.000 0.493 6 P HA -0.167 nan 4.420 nan 0.000 0.225 6 P C 0.901 178.214 177.300 0.023 0.000 1.148 6 P CA 0.732 63.848 63.100 0.028 0.000 0.779 6 P CB 0.437 32.144 31.700 0.012 0.000 0.780 7 Q N -0.490 119.321 119.800 0.019 0.000 2.403 7 Q HA 0.140 4.485 4.340 0.009 0.000 0.203 7 Q C 1.450 177.501 176.000 0.085 0.000 0.932 7 Q CA 0.510 56.295 55.803 -0.029 0.000 0.945 7 Q CB -0.574 28.016 28.738 -0.246 0.000 1.045 7 Q HN 0.235 nan 8.270 nan 0.000 0.511 8 L N -0.456 120.841 121.223 0.125 0.000 2.858 8 L HA 0.334 4.680 4.340 0.009 0.000 0.251 8 L C -0.510 176.510 176.870 0.250 0.000 1.149 8 L CA -0.166 54.770 54.840 0.161 0.000 0.955 8 L CB 0.606 42.680 42.059 0.025 0.000 1.289 8 L HN 0.028 nan 8.230 nan 0.000 0.542 9 L N 1.022 122.353 121.223 0.179 0.000 2.257 9 L HA 0.481 4.827 4.340 0.009 0.000 0.290 9 L C -0.647 176.284 176.870 0.101 0.000 1.044 9 L CA -0.383 54.550 54.840 0.155 0.000 0.810 9 L CB 1.464 43.574 42.059 0.084 0.000 1.193 9 L HN -0.218 nan 8.230 nan 0.000 0.425 10 V N 3.580 123.542 119.914 0.081 0.000 2.789 10 V HA 0.482 4.607 4.120 0.009 0.000 0.311 10 V C -0.238 175.789 176.094 -0.111 0.000 1.073 10 V CA -0.765 61.434 62.300 -0.168 0.000 0.921 10 V CB 2.621 34.070 31.823 -0.624 0.000 1.009 10 V HN 0.713 nan 8.190 nan 0.000 0.426 11 R N 2.401 122.806 120.500 -0.158 0.000 2.474 11 R HA 0.803 5.148 4.340 0.009 0.000 0.295 11 R C -0.714 175.504 176.300 -0.137 0.000 0.980 11 R CA -0.304 55.738 56.100 -0.098 0.000 0.934 11 R CB 1.745 31.986 30.300 -0.097 0.000 1.101 11 R HN 0.695 nan 8.270 nan 0.000 0.469 12 V N 1.600 121.489 119.914 -0.043 0.000 3.181 12 V HA 0.500 4.626 4.120 0.009 0.000 0.314 12 V C 1.035 177.059 176.094 -0.117 0.000 1.173 12 V CA -0.986 61.287 62.300 -0.046 0.000 1.052 12 V CB 1.552 33.501 31.823 0.210 0.000 1.123 12 V HN 0.833 nan 8.190 nan 0.000 0.454 13 R N 1.203 121.621 120.500 -0.137 0.000 2.127 13 R HA 0.017 4.363 4.340 0.009 0.000 0.238 13 R C 1.750 177.934 176.300 -0.194 0.000 1.134 13 R CA 2.315 58.330 56.100 -0.142 0.000 0.975 13 R CB -1.139 29.090 30.300 -0.117 0.000 0.865 13 R HN 1.030 nan 8.270 nan 0.000 0.447 14 G N -1.896 106.754 108.800 -0.250 0.000 2.777 14 G HA2 0.398 4.363 3.960 0.009 0.000 0.211 14 G HA3 0.398 4.363 3.960 0.009 0.000 0.211 14 G C 0.343 174.374 174.900 -1.448 0.000 1.149 14 G CA 0.326 45.018 45.100 -0.681 0.000 0.785 14 G HN 0.724 nan 8.290 nan 0.000 0.536 15 G N -1.021 107.236 108.800 -0.905 0.000 2.302 15 G HA2 0.077 4.042 3.960 0.009 0.000 0.276 15 G HA3 0.077 4.042 3.960 0.009 0.000 0.276 15 G C -1.107 173.700 174.900 -0.154 0.000 1.316 15 G CA -0.955 43.717 45.100 -0.713 0.000 0.988 15 G HN 0.269 nan 8.290 nan 0.000 0.479 16 Q N -0.332 119.504 119.800 0.060 0.000 2.293 16 Q HA 0.639 4.985 4.340 0.009 0.000 0.251 16 Q C -0.376 175.878 176.000 0.424 0.000 0.930 16 Q CA 0.012 55.942 55.803 0.211 0.000 0.893 16 Q CB 1.389 30.213 28.738 0.143 0.000 1.215 16 Q HN 0.437 nan 8.270 nan 0.000 0.425 17 L N 1.834 123.258 121.223 0.335 0.000 2.381 17 L HA 0.596 4.941 4.340 0.009 0.000 0.268 17 L C -0.408 176.657 176.870 0.326 0.000 0.997 17 L CA -0.778 54.288 54.840 0.376 0.000 0.818 17 L CB 2.100 44.441 42.059 0.469 0.000 1.310 17 L HN 0.459 nan 8.230 nan 0.000 0.416 18 R N 1.002 121.654 120.500 0.253 0.000 2.310 18 R HA 0.617 4.963 4.340 0.009 0.000 0.324 18 R C -0.141 176.207 176.300 0.080 0.000 0.955 18 R CA -0.309 55.895 56.100 0.173 0.000 0.830 18 R CB 1.582 31.933 30.300 0.084 0.000 1.154 18 R HN 0.827 nan 8.270 nan 0.000 0.458 19 G N 3.296 112.038 108.800 -0.096 0.000 2.531 19 G HA2 0.432 4.397 3.960 0.009 0.000 0.281 19 G HA3 0.432 4.397 3.960 0.009 0.000 0.281 19 G C -0.917 173.737 174.900 -0.411 0.000 1.382 19 G CA -0.676 44.044 45.100 -0.633 0.000 1.045 19 G HN 0.594 nan 8.290 nan 0.000 0.533 20 I N -0.806 119.484 120.570 -0.468 0.000 2.619 20 I HA 0.434 4.609 4.170 0.009 0.000 0.292 20 I C -0.101 175.872 176.117 -0.238 0.000 1.100 20 I CA -1.046 60.087 61.300 -0.278 0.000 1.043 20 I CB 1.991 39.839 38.000 -0.252 0.000 1.239 20 I HN 0.383 nan 8.210 nan 0.000 0.420 21 R N 8.216 128.612 120.500 -0.174 0.000 2.242 21 R HA 0.433 4.778 4.340 0.009 0.000 0.334 21 R C -1.628 174.544 176.300 -0.213 0.000 1.071 21 R CA -0.260 55.705 56.100 -0.224 0.000 0.922 21 R CB 0.293 30.401 30.300 -0.319 0.000 1.023 21 R HN 0.663 nan 8.270 nan 0.000 0.458 22 L N 3.549 124.669 121.223 -0.171 0.000 2.352 22 L HA 0.427 4.773 4.340 0.009 0.000 0.269 22 L C 0.182 176.970 176.870 -0.137 0.000 1.034 22 L CA -0.803 53.961 54.840 -0.126 0.000 0.806 22 L CB 1.544 43.569 42.059 -0.058 0.000 1.244 22 L HN 0.461 nan 8.230 nan 0.000 0.447 23 K N 1.429 121.760 120.400 -0.115 0.000 2.227 23 K HA 0.662 4.987 4.320 0.009 0.000 0.280 23 K C -0.906 175.631 176.600 -0.105 0.000 1.041 23 K CA -0.252 55.973 56.287 -0.104 0.000 0.905 23 K CB 1.376 33.828 32.500 -0.080 0.000 1.068 23 K HN 0.687 nan 8.250 nan 0.000 0.470 24 A N 4.980 127.741 122.820 -0.097 0.000 2.384 24 A HA 0.523 4.848 4.320 0.009 0.000 0.312 24 A C -2.208 175.373 177.584 -0.005 0.000 1.113 24 A CA -1.726 50.250 52.037 -0.102 0.000 0.779 24 A CB 1.036 19.930 19.000 -0.177 0.000 1.307 24 A HN 0.637 nan 8.150 nan 0.000 0.436 25 P HA -0.110 nan 4.420 nan 0.000 0.216 25 P C 1.377 178.704 177.300 0.044 0.000 1.150 25 P CA 2.086 65.229 63.100 0.071 0.000 0.843 25 P CB 0.207 31.976 31.700 0.115 0.000 0.787 26 G N -2.135 106.694 108.800 0.049 0.000 2.880 26 G HA2 0.407 4.373 3.960 0.009 0.000 0.209 26 G HA3 0.407 4.373 3.960 0.009 0.000 0.209 26 G C 0.616 175.531 174.900 0.024 0.000 1.157 26 G CA 0.554 45.675 45.100 0.036 0.000 0.779 26 G HN 0.642 nan 8.290 nan 0.000 0.539 27 G N -0.716 108.090 108.800 0.010 0.000 2.362 27 G HA2 0.336 4.301 3.960 0.009 0.000 0.288 27 G HA3 0.336 4.301 3.960 0.009 0.000 0.288 27 G C -3.405 171.479 174.900 -0.026 0.000 1.305 27 G CA -0.611 44.489 45.100 -0.001 0.000 0.910 27 G HN 0.078 nan 8.290 nan 0.000 0.518 28 P HA 0.559 nan 4.420 nan 0.000 0.281 28 P C -0.126 177.162 177.300 -0.020 0.000 1.249 28 P CA -0.437 62.581 63.100 -0.138 0.000 0.810 28 P CB 1.643 33.116 31.700 -0.378 0.000 1.008 29 V N -1.344 118.553 119.914 -0.028 0.000 2.962 29 V HA 0.638 4.763 4.120 0.009 0.000 0.313 29 V C -0.356 175.828 176.094 0.149 0.000 1.099 29 V CA -0.838 61.539 62.300 0.129 0.000 0.971 29 V CB 1.835 33.741 31.823 0.139 0.000 1.028 29 V HN 0.398 nan 8.190 nan 0.000 0.430 30 S N 2.320 118.191 115.700 0.286 0.000 2.513 30 S HA 0.815 5.291 4.470 0.009 0.000 0.276 30 S C 0.133 174.785 174.600 0.086 0.000 1.254 30 S CA 0.097 58.424 58.200 0.212 0.000 1.053 30 S CB 1.090 64.527 63.200 0.395 0.000 0.958 30 S HN 1.555 nan 8.310 nan 0.000 0.491 31 A N 2.844 125.524 122.820 -0.233 0.000 2.355 31 A HA 0.827 5.152 4.320 0.009 0.000 0.317 31 A C -1.250 175.978 177.584 -0.593 0.000 1.094 31 A CA -0.638 51.160 52.037 -0.397 0.000 0.764 31 A CB 0.574 19.262 19.000 -0.520 0.000 1.230 31 A HN 0.668 nan 8.150 nan 0.000 0.448 32 F N 2.412 122.192 119.950 -0.283 0.000 2.532 32 F HA 0.451 4.983 4.527 0.008 0.000 0.365 32 F C -0.271 175.350 175.800 -0.298 0.000 1.112 32 F CA -0.329 57.580 58.000 -0.152 0.000 1.082 32 F CB 1.302 40.362 39.000 0.101 0.000 1.319 32 F HN 0.345 nan 8.300 nan 0.000 0.457 33 L N 2.195 123.273 121.223 -0.242 0.000 2.322 33 L HA 0.701 5.047 4.340 0.009 0.000 0.279 33 L C 0.960 177.735 176.870 -0.158 0.000 1.036 33 L CA -0.909 53.729 54.840 -0.337 0.000 0.807 33 L CB 1.576 43.236 42.059 -0.666 0.000 1.226 33 L HN 0.834 nan 8.230 nan 0.000 0.433 34 G N 3.199 111.966 108.800 -0.056 0.000 2.225 34 G HA2 -0.257 3.708 3.960 0.009 0.000 0.264 34 G HA3 -0.257 3.708 3.960 0.009 0.000 0.264 34 G C -0.182 174.760 174.900 0.070 0.000 1.060 34 G CA -0.366 44.714 45.100 -0.034 0.000 0.833 34 G HN 0.482 nan 8.290 nan 0.000 0.498 35 I N 2.199 122.828 120.570 0.099 0.000 2.396 35 I HA 0.231 4.406 4.170 0.009 0.000 0.289 35 I C -1.364 174.831 176.117 0.130 0.000 1.056 35 I CA -2.129 59.226 61.300 0.092 0.000 1.365 35 I CB 0.922 38.936 38.000 0.023 0.000 1.407 35 I HN -0.021 nan 8.210 nan 0.000 0.509 36 P HA -0.034 nan 4.420 nan 0.000 0.267 36 P C -0.121 177.125 177.300 -0.090 0.000 1.209 36 P CA 0.169 63.154 63.100 -0.193 0.000 0.763 36 P CB 0.360 31.948 31.700 -0.188 0.000 0.816 37 F N 1.550 121.357 119.950 -0.238 0.000 2.724 37 F HA 0.680 5.213 4.527 0.009 0.000 0.306 37 F C 0.158 175.959 175.800 0.001 0.000 1.100 37 F CA -0.701 57.223 58.000 -0.127 0.000 1.255 37 F CB 0.119 38.927 39.000 -0.320 0.000 1.072 37 F HN 0.309 nan 8.300 nan 0.000 0.589 38 A N 0.281 122.811 122.820 -0.484 0.000 2.515 38 A HA 0.575 4.900 4.320 0.009 0.000 0.296 38 A C -0.735 176.696 177.584 -0.254 0.000 1.094 38 A CA -0.772 51.099 52.037 -0.276 0.000 0.718 38 A CB 0.982 19.758 19.000 -0.373 0.000 1.307 38 A HN 0.085 nan 8.150 nan 0.000 0.408 39 E N 1.277 121.410 120.200 -0.112 0.000 2.414 39 E HA 0.195 4.550 4.350 0.009 0.000 0.263 39 E C -2.277 174.234 176.600 -0.149 0.000 1.000 39 E CA -1.228 55.116 56.400 -0.093 0.000 0.914 39 E CB 0.042 29.727 29.700 -0.025 0.000 0.948 39 E HN 0.227 nan 8.360 nan 0.000 0.444 40 P HA -0.029 nan 4.420 nan 0.000 0.256 40 P C -2.203 175.036 177.300 -0.102 0.000 1.173 40 P CA -0.600 62.415 63.100 -0.142 0.000 0.768 40 P CB -0.088 31.563 31.700 -0.082 0.000 0.758 41 P HA 0.000 nan 4.420 nan 0.000 0.228 41 P C -0.109 177.141 177.300 -0.083 0.000 1.748 41 P CA 0.124 63.176 63.100 -0.080 0.000 0.909 41 P CB -0.187 31.471 31.700 -0.071 0.000 1.882 42 V N -3.226 116.644 119.914 -0.074 0.000 3.096 42 V HA 0.888 5.014 4.120 0.009 0.000 0.319 42 V C 1.057 177.112 176.094 -0.065 0.000 1.082 42 V CA 0.207 62.463 62.300 -0.074 0.000 1.022 42 V CB 0.675 32.464 31.823 -0.057 0.000 1.103 42 V HN 0.516 nan 8.190 nan 0.000 0.455 43 G N 2.309 111.070 108.800 -0.065 0.000 2.596 43 G HA2 -0.361 3.604 3.960 0.009 0.000 0.304 43 G HA3 -0.361 3.604 3.960 0.009 0.000 0.304 43 G C 1.253 176.122 174.900 -0.052 0.000 1.189 43 G CA 1.761 46.832 45.100 -0.048 0.000 0.986 43 G HN 2.384 nan 8.290 nan 0.000 0.548 44 S N 0.449 116.133 115.700 -0.027 0.000 2.555 44 S HA 0.091 4.566 4.470 0.009 0.000 0.230 44 S C 1.920 176.511 174.600 -0.015 0.000 0.978 44 S CA 1.465 59.658 58.200 -0.012 0.000 0.934 44 S CB -0.015 63.187 63.200 0.004 0.000 0.766 44 S HN 0.672 nan 8.310 nan 0.000 0.533 45 R N 0.701 121.180 120.500 -0.034 0.000 2.317 45 R HA 0.247 4.593 4.340 0.009 0.000 0.208 45 R C 0.907 177.166 176.300 -0.067 0.000 0.914 45 R CA -0.227 55.855 56.100 -0.031 0.000 1.060 45 R CB 0.038 30.320 30.300 -0.030 0.000 1.015 45 R HN 0.381 nan 8.270 nan 0.000 0.498 46 R N 0.793 121.201 120.500 -0.153 0.000 2.570 46 R HA -0.107 4.239 4.340 0.009 0.000 0.277 46 R C -0.340 175.752 176.300 -0.347 0.000 1.039 46 R CA 0.515 56.394 56.100 -0.368 0.000 1.065 46 R CB 0.182 30.116 30.300 -0.611 0.000 0.964 46 R HN 0.092 nan 8.270 nan 0.000 0.428 47 F N -1.066 118.902 119.950 0.031 0.000 2.748 47 F HA -0.318 4.214 4.527 0.009 0.000 0.370 47 F C 0.193 175.990 175.800 -0.004 0.000 0.620 47 F CA 0.751 58.747 58.000 -0.007 0.000 1.233 47 F CB -1.848 37.136 39.000 -0.026 0.000 1.708 47 F HN 0.536 nan 8.300 nan 0.000 0.298 48 M N 0.957 120.632 119.600 0.124 0.000 2.478 48 M HA 0.484 4.970 4.480 0.009 0.000 0.327 48 M C -2.057 174.280 176.300 0.063 0.000 1.187 48 M CA -1.612 53.742 55.300 0.089 0.000 1.022 48 M CB 1.409 34.048 32.600 0.065 0.000 1.629 48 M HN -0.365 nan 8.290 nan 0.000 0.461 49 P HA 0.046 nan 4.420 nan 0.000 0.266 49 P C -2.583 174.755 177.300 0.063 0.000 1.193 49 P CA -0.470 62.671 63.100 0.069 0.000 0.770 49 P CB -0.419 31.330 31.700 0.081 0.000 0.836 50 P HA 0.180 nan 4.420 nan 0.000 0.275 50 P C -0.517 176.829 177.300 0.077 0.000 1.227 50 P CA 0.095 63.234 63.100 0.065 0.000 0.781 50 P CB 0.911 32.673 31.700 0.104 0.000 0.906 51 E N 2.834 123.066 120.200 0.052 0.000 2.204 51 E HA 0.345 4.700 4.350 0.009 0.000 0.276 51 E C -2.230 174.417 176.600 0.078 0.000 0.974 51 E CA -2.631 53.807 56.400 0.065 0.000 0.815 51 E CB 0.847 30.575 29.700 0.046 0.000 1.119 51 E HN 0.305 nan 8.360 nan 0.000 0.393 52 P HA -0.085 nan 4.420 nan 0.000 0.264 52 P C -0.882 176.499 177.300 0.134 0.000 1.183 52 P CA 0.081 63.273 63.100 0.153 0.000 0.763 52 P CB 0.339 32.127 31.700 0.147 0.000 0.807 53 K N 4.248 124.751 120.400 0.170 0.000 2.484 53 K HA -0.000 4.325 4.320 0.009 0.000 0.280 53 K C 0.133 176.855 176.600 0.204 0.000 1.013 53 K CA 0.508 56.898 56.287 0.173 0.000 1.029 53 K CB 0.129 32.776 32.500 0.246 0.000 0.902 53 K HN 0.284 nan 8.250 nan 0.000 0.481 54 R N 5.199 125.803 120.500 0.173 0.000 2.543 54 R HA 0.174 4.519 4.340 0.009 0.000 0.277 54 R C -2.003 174.421 176.300 0.208 0.000 1.074 54 R CA -1.713 54.477 56.100 0.149 0.000 1.076 54 R CB 0.039 30.407 30.300 0.113 0.000 0.993 54 R HN 0.577 nan 8.270 nan 0.000 0.459 55 P HA -0.084 nan 4.420 nan 0.000 0.267 55 P C -1.074 176.272 177.300 0.077 0.000 1.200 55 P CA 0.209 63.260 63.100 -0.081 0.000 0.772 55 P CB 0.295 31.909 31.700 -0.144 0.000 0.855 56 W N 1.156 122.493 121.300 0.061 0.000 2.719 56 W HA 0.695 5.360 4.660 0.008 0.000 0.352 56 W C -0.728 175.819 176.519 0.047 0.000 1.085 56 W CA -0.920 56.458 57.345 0.054 0.000 1.187 56 W CB 0.244 29.742 29.460 0.065 0.000 1.417 56 W HN 0.353 nan 8.180 nan 0.000 0.557 57 S N 1.519 117.361 115.700 0.237 0.000 2.651 57 S HA 0.880 5.355 4.470 0.009 0.000 0.291 57 S C 0.364 175.112 174.600 0.247 0.000 1.141 57 S CA -0.125 58.159 58.200 0.140 0.000 1.027 57 S CB 0.979 64.227 63.200 0.080 0.000 1.043 57 S HN 2.100 nan 8.310 nan 0.000 0.530 58 G N -0.272 108.629 108.800 0.170 0.000 2.782 58 G HA2 -0.112 3.854 3.960 0.009 0.000 0.228 58 G HA3 -0.112 3.854 3.960 0.009 0.000 0.228 58 G C -0.710 174.350 174.900 0.267 0.000 1.372 58 G CA -0.485 44.721 45.100 0.176 0.000 0.862 58 G HN 1.549 nan 8.290 nan 0.000 0.547 59 V N 0.967 121.001 119.914 0.200 0.000 2.408 59 V HA 0.455 4.581 4.120 0.009 0.000 0.267 59 V C 1.100 177.308 176.094 0.190 0.000 1.047 59 V CA -0.122 62.308 62.300 0.217 0.000 0.937 59 V CB 1.090 32.995 31.823 0.136 0.000 0.999 59 V HN 0.800 nan 8.190 nan 0.000 0.472 60 L N 4.914 126.285 121.223 0.247 0.000 2.367 60 L HA 0.310 4.655 4.340 0.009 0.000 0.275 60 L C 0.593 177.479 176.870 0.026 0.000 1.129 60 L CA 0.066 54.900 54.840 -0.009 0.000 0.839 60 L CB 0.679 42.541 42.059 -0.328 0.000 1.133 60 L HN 0.703 nan 8.230 nan 0.000 0.453 61 D N 4.778 125.156 120.400 -0.036 0.000 2.317 61 D HA 0.187 4.832 4.640 0.009 0.000 0.252 61 D C -0.371 175.897 176.300 -0.054 0.000 1.174 61 D CA 0.003 53.984 54.000 -0.031 0.000 0.866 61 D CB 1.600 42.368 40.800 -0.053 0.000 1.127 61 D HN 0.681 nan 8.370 nan 0.000 0.467 62 A N 3.145 125.952 122.820 -0.022 0.000 2.855 62 A HA 0.179 4.504 4.320 0.009 0.000 0.301 62 A C 1.062 178.562 177.584 -0.140 0.000 1.076 62 A CA -0.391 51.625 52.037 -0.035 0.000 1.004 62 A CB -0.118 18.962 19.000 0.133 0.000 1.152 62 A HN 0.578 nan 8.150 nan 0.000 0.531 63 T N -2.986 111.468 114.554 -0.167 0.000 3.044 63 T HA 0.227 4.582 4.350 0.009 0.000 0.250 63 T C 0.785 175.323 174.700 -0.270 0.000 1.081 63 T CA 0.871 62.840 62.100 -0.218 0.000 1.040 63 T CB -0.243 68.528 68.868 -0.163 0.000 0.962 63 T HN 0.732 nan 8.240 nan 0.000 0.506 64 T N -0.517 113.879 114.554 -0.264 0.000 2.909 64 T HA 0.670 5.026 4.350 0.009 0.000 0.299 64 T C -0.758 173.779 174.700 -0.270 0.000 1.073 64 T CA -0.971 60.959 62.100 -0.283 0.000 0.999 64 T CB 1.041 69.811 68.868 -0.164 0.000 1.098 64 T HN -0.010 nan 8.240 nan 0.000 0.477 65 F N 1.931 121.810 119.950 -0.119 0.000 2.595 65 F HA 0.430 4.962 4.527 0.009 0.000 0.359 65 F C 1.062 176.758 175.800 -0.173 0.000 1.147 65 F CA 0.031 57.961 58.000 -0.116 0.000 1.341 65 F CB 0.516 39.477 39.000 -0.065 0.000 1.104 65 F HN 0.690 nan 8.300 nan 0.000 0.603 66 Q N 1.751 121.554 119.800 0.005 0.000 2.199 66 Q HA 0.334 4.679 4.340 0.009 0.000 0.205 66 Q C -0.451 175.463 176.000 -0.144 0.000 1.001 66 Q CA -0.699 54.947 55.803 -0.261 0.000 1.019 66 Q CB 0.637 28.917 28.738 -0.763 0.000 1.132 66 Q HN 0.502 nan 8.270 nan 0.000 0.530 67 N N -0.464 118.126 118.700 -0.183 0.000 2.374 67 N HA 0.027 4.772 4.740 0.009 0.000 0.241 67 N C -0.885 174.603 175.510 -0.036 0.000 1.262 67 N CA 0.128 53.125 53.050 -0.087 0.000 0.880 67 N CB 0.330 38.780 38.487 -0.060 0.000 1.105 67 N HN 0.298 nan 8.380 nan 0.000 0.438 68 V N 1.560 121.424 119.914 -0.084 0.000 2.607 68 V HA 0.097 4.222 4.120 0.009 0.000 0.289 68 V C 0.640 176.677 176.094 -0.095 0.000 1.053 68 V CA -0.821 61.419 62.300 -0.100 0.000 0.996 68 V CB 1.180 32.905 31.823 -0.164 0.000 0.995 68 V HN 0.717 nan 8.190 nan 0.000 0.476 69 c N 3.941 122.507 118.600 -0.057 0.000 2.662 69 c HA 0.148 4.724 4.570 0.009 0.000 0.420 69 c C 0.505 174.547 174.090 -0.079 0.000 1.314 69 c CA -0.662 55.641 56.329 -0.044 0.000 1.963 69 c CB -0.940 41.581 42.510 0.019 0.000 2.686 69 c HN 0.749 nan 8.230 nan 0.000 0.609 70 Y N 3.452 123.617 120.300 -0.226 0.000 2.810 70 Y HA 0.162 4.717 4.550 0.009 0.000 0.332 70 Y C 0.919 176.829 175.900 0.016 0.000 1.243 70 Y CA 1.152 59.115 58.100 -0.230 0.000 1.537 70 Y CB 0.165 38.240 38.460 -0.641 0.000 1.265 70 Y HN 0.741 nan 8.280 nan 0.000 0.572 71 Q N 3.608 123.503 119.800 0.159 0.000 2.633 71 Q HA 0.207 4.552 4.340 0.009 0.000 0.289 71 Q C -1.925 174.260 176.000 0.308 0.000 0.940 71 Q CA -1.222 54.767 55.803 0.311 0.000 0.785 71 Q CB 1.224 30.065 28.738 0.172 0.000 1.467 71 Q HN 0.664 nan 8.270 nan 0.000 0.401 72 Y N 1.463 121.955 120.300 0.319 0.000 2.537 72 Y HA 0.331 4.886 4.550 0.008 0.000 0.339 72 Y C -0.708 175.309 175.900 0.195 0.000 1.066 72 Y CA -0.245 58.007 58.100 0.253 0.000 1.357 72 Y CB 0.805 39.422 38.460 0.262 0.000 1.175 72 Y HN 0.447 nan 8.280 nan 0.000 0.525 73 V N 7.137 126.759 119.914 -0.486 0.000 2.455 73 V HA -0.012 4.114 4.120 0.009 0.000 0.273 73 V C 0.096 175.798 176.094 -0.653 0.000 1.045 73 V CA -0.540 61.508 62.300 -0.419 0.000 0.976 73 V CB 0.747 32.400 31.823 -0.283 0.000 0.993 73 V HN 0.717 nan 8.190 nan 0.000 0.475 74 D N 4.268 124.518 120.400 -0.251 0.000 2.401 74 D HA 0.062 4.707 4.640 0.009 0.000 0.254 74 D C 0.942 177.231 176.300 -0.018 0.000 1.192 74 D CA 0.239 54.225 54.000 -0.023 0.000 0.885 74 D CB 1.304 42.240 40.800 0.226 0.000 1.147 74 D HN 0.726 nan 8.370 nan 0.000 0.478 75 T N 1.522 116.079 114.554 0.006 0.000 3.252 75 T HA 0.050 4.406 4.350 0.009 0.000 0.286 75 T C 1.597 176.295 174.700 -0.004 0.000 1.013 75 T CA -0.512 61.590 62.100 0.004 0.000 0.914 75 T CB -0.017 68.830 68.868 -0.035 0.000 1.131 75 T HN 0.215 nan 8.240 nan 0.000 0.529 76 L N 0.947 122.169 121.223 -0.001 0.000 2.013 76 L HA 0.092 4.438 4.340 0.009 0.000 0.212 76 L C -0.207 176.395 176.870 -0.448 0.000 1.073 76 L CA 1.718 56.398 54.840 -0.267 0.000 0.753 76 L CB -0.458 41.372 42.059 -0.383 0.000 0.890 76 L HN 0.491 nan 8.230 nan 0.000 0.432 77 Y N 0.135 120.471 120.300 0.060 0.000 2.705 77 Y HA 0.388 4.943 4.550 0.009 0.000 0.355 77 Y C -2.182 173.762 175.900 0.072 0.000 1.039 77 Y CA -3.104 55.016 58.100 0.033 0.000 1.233 77 Y CB -0.007 38.449 38.460 -0.007 0.000 1.103 77 Y HN 0.086 nan 8.280 nan 0.000 0.624 78 P HA 0.107 nan 4.420 nan 0.000 0.265 78 P C 1.034 178.389 177.300 0.092 0.000 1.193 78 P CA 1.422 64.572 63.100 0.084 0.000 0.765 78 P CB 1.329 33.049 31.700 0.033 0.000 0.823 79 G N 2.477 111.315 108.800 0.063 0.000 2.241 79 G HA2 -0.286 3.679 3.960 0.009 0.000 0.244 79 G HA3 -0.286 3.679 3.960 0.009 0.000 0.244 79 G C -0.116 174.823 174.900 0.065 0.000 0.998 79 G CA -0.231 44.892 45.100 0.039 0.000 0.621 79 G HN 0.547 nan 8.290 nan 0.000 0.519 80 F N 2.782 122.686 119.950 -0.077 0.000 2.471 80 F HA 0.594 5.126 4.527 0.008 0.000 0.365 80 F C 1.407 177.096 175.800 -0.184 0.000 1.095 80 F CA -0.470 57.432 58.000 -0.163 0.000 1.174 80 F CB 1.184 40.063 39.000 -0.202 0.000 1.105 80 F HN 0.199 nan 8.300 nan 0.000 0.535 81 E N 4.164 123.996 120.200 -0.614 0.000 2.108 81 E HA -0.198 4.157 4.350 0.009 0.000 0.203 81 E C 2.295 178.369 176.600 -0.878 0.000 1.022 81 E CA 2.242 58.249 56.400 -0.655 0.000 0.823 81 E CB -0.624 28.745 29.700 -0.552 0.000 0.744 81 E HN 0.896 nan 8.360 nan 0.000 0.456 82 G N -1.425 106.298 108.800 -1.795 0.000 2.499 82 G HA2 -0.296 3.669 3.960 0.009 0.000 0.221 82 G HA3 -0.296 3.669 3.960 0.009 0.000 0.221 82 G C 1.595 176.402 174.900 -0.154 0.000 1.109 82 G CA 1.834 46.141 45.100 -1.322 0.000 0.749 82 G HN 0.508 nan 8.290 nan 0.000 0.568 83 T N -2.758 111.705 114.554 -0.152 0.000 3.038 83 T HA 0.155 4.511 4.350 0.009 0.000 0.244 83 T C 1.872 176.675 174.700 0.172 0.000 1.016 83 T CA 0.565 62.880 62.100 0.359 0.000 1.098 83 T CB 0.094 69.251 68.868 0.482 0.000 0.954 83 T HN 0.084 nan 8.240 nan 0.000 0.469 84 E N 2.514 122.691 120.200 -0.038 0.000 2.153 84 E HA -0.107 4.248 4.350 0.009 0.000 0.194 84 E C 2.234 178.722 176.600 -0.187 0.000 0.988 84 E CA 1.427 57.773 56.400 -0.090 0.000 0.811 84 E CB -0.552 29.071 29.700 -0.129 0.000 0.746 84 E HN 0.800 nan 8.360 nan 0.000 0.466 85 M N -2.278 117.117 119.600 -0.342 0.000 2.446 85 M HA -0.072 4.413 4.480 0.009 0.000 0.263 85 M C 1.252 177.174 176.300 -0.630 0.000 1.066 85 M CA 1.395 56.362 55.300 -0.554 0.000 1.087 85 M CB -0.510 31.636 32.600 -0.757 0.000 1.406 85 M HN 0.007 nan 8.290 nan 0.000 0.459 86 W N 0.851 122.054 121.300 -0.162 0.000 3.114 86 W HA 0.281 4.946 4.660 0.008 0.000 0.279 86 W C 0.474 176.884 176.519 -0.181 0.000 1.277 86 W CA -0.930 56.305 57.345 -0.183 0.000 1.630 86 W CB -0.111 29.279 29.460 -0.116 0.000 1.087 86 W HN 0.104 nan 8.180 nan 0.000 0.637 87 N N 1.520 120.225 118.700 0.008 0.000 2.444 87 N HA 0.132 4.877 4.740 0.009 0.000 0.255 87 N C -2.401 173.032 175.510 -0.128 0.000 1.255 87 N CA -1.358 51.661 53.050 -0.053 0.000 0.933 87 N CB -0.077 38.377 38.487 -0.055 0.000 1.143 87 N HN -0.323 nan 8.380 nan 0.000 0.453 88 P HA 0.084 nan 4.420 nan 0.000 0.268 88 P C 0.238 177.435 177.300 -0.171 0.000 1.205 88 P CA -0.027 62.967 63.100 -0.177 0.000 0.771 88 P CB 0.384 31.976 31.700 -0.181 0.000 0.858 89 N N 1.692 120.280 118.700 -0.187 0.000 2.187 89 N HA 0.083 4.828 4.740 0.009 0.000 0.212 89 N C 0.076 175.507 175.510 -0.132 0.000 1.152 89 N CA 0.022 52.974 53.050 -0.164 0.000 0.872 89 N CB 0.391 38.763 38.487 -0.192 0.000 1.025 89 N HN 0.138 nan 8.380 nan 0.000 0.514 90 R N 0.424 120.842 120.500 -0.137 0.000 2.888 90 R HA 0.381 4.726 4.340 0.009 0.000 0.264 90 R C -0.376 175.848 176.300 -0.126 0.000 1.045 90 R CA -0.651 55.384 56.100 -0.108 0.000 0.962 90 R CB 1.033 31.280 30.300 -0.089 0.000 1.210 90 R HN 0.191 nan 8.270 nan 0.000 0.479 91 E N 0.974 121.106 120.200 -0.114 0.000 2.418 91 E HA 0.103 4.459 4.350 0.009 0.000 0.261 91 E C -0.219 176.281 176.600 -0.167 0.000 1.070 91 E CA 0.013 56.335 56.400 -0.130 0.000 0.931 91 E CB 0.560 30.200 29.700 -0.100 0.000 0.954 91 E HN 0.193 nan 8.360 nan 0.000 0.439 92 L N 2.184 123.262 121.223 -0.243 0.000 2.319 92 L HA 0.286 4.631 4.340 0.009 0.000 0.280 92 L C 0.235 176.955 176.870 -0.250 0.000 1.099 92 L CA -0.080 54.534 54.840 -0.376 0.000 0.828 92 L CB 0.975 42.566 42.059 -0.779 0.000 1.150 92 L HN 0.370 nan 8.230 nan 0.000 0.442 93 S N 1.231 116.855 115.700 -0.127 0.000 2.556 93 S HA 0.245 4.720 4.470 0.009 0.000 0.271 93 S C 0.375 174.980 174.600 0.008 0.000 1.135 93 S CA -0.641 57.569 58.200 0.015 0.000 0.858 93 S CB 1.819 65.019 63.200 -0.001 0.000 1.114 93 S HN 0.745 nan 8.310 nan 0.000 0.468 94 E N 0.886 121.078 120.200 -0.014 0.000 2.274 94 E HA -0.068 4.288 4.350 0.009 0.000 0.194 94 E C -0.320 176.238 176.600 -0.071 0.000 0.996 94 E CA 0.510 56.833 56.400 -0.129 0.000 0.840 94 E CB 0.123 29.709 29.700 -0.191 0.000 0.772 94 E HN 0.536 nan 8.360 nan 0.000 0.491 95 D N 0.188 120.577 120.400 -0.018 0.000 2.435 95 D HA -0.015 4.630 4.640 0.009 0.000 0.230 95 D C -0.010 176.373 176.300 0.137 0.000 1.215 95 D CA -0.153 53.863 54.000 0.027 0.000 0.947 95 D CB 0.064 40.898 40.800 0.057 0.000 1.048 95 D HN 0.152 nan 8.370 nan 0.000 0.512 96 c N 2.526 121.172 118.600 0.075 0.000 3.935 96 c HA 0.346 4.921 4.570 0.009 0.000 0.301 96 c C 0.637 174.780 174.090 0.088 0.000 1.874 96 c CA -0.650 55.787 56.329 0.179 0.000 1.723 96 c CB -1.171 41.380 42.510 0.068 0.000 3.192 96 c HN 0.434 nan 8.230 nan 0.000 0.577 97 L N 2.567 123.575 121.223 -0.359 0.000 2.384 97 L HA 0.392 4.738 4.340 0.009 0.000 0.258 97 L C -0.948 175.291 176.870 -1.053 0.000 1.266 97 L CA 0.528 54.956 54.840 -0.687 0.000 1.162 97 L CB -0.712 40.810 42.059 -0.895 0.000 1.375 97 L HN 0.407 nan 8.230 nan 0.000 0.420 98 Y N 1.664 121.898 120.300 -0.110 0.000 2.536 98 Y HA 0.623 5.178 4.550 0.009 0.000 0.347 98 Y C -0.004 176.078 175.900 0.303 0.000 1.000 98 Y CA -1.257 56.864 58.100 0.036 0.000 1.051 98 Y CB 1.976 40.428 38.460 -0.013 0.000 1.259 98 Y HN 0.200 nan 8.280 nan 0.000 0.468 99 L N -0.141 121.291 121.223 0.348 0.000 2.279 99 L HA 0.775 5.120 4.340 0.009 0.000 0.262 99 L C -1.142 175.755 176.870 0.044 0.000 1.019 99 L CA -1.077 53.853 54.840 0.150 0.000 0.823 99 L CB 1.586 43.560 42.059 -0.141 0.000 1.358 99 L HN 0.475 nan 8.230 nan 0.000 0.432 100 N N 0.073 118.800 118.700 0.045 0.000 2.238 100 N HA 0.691 5.437 4.740 0.009 0.000 0.302 100 N C -1.529 173.899 175.510 -0.137 0.000 1.072 100 N CA -0.453 52.539 53.050 -0.097 0.000 0.792 100 N CB 2.878 41.319 38.487 -0.077 0.000 1.425 100 N HN 0.477 nan 8.380 nan 0.000 0.478 101 V N 1.516 121.258 119.914 -0.286 0.000 2.531 101 V HA 0.446 4.571 4.120 0.009 0.000 0.301 101 V C -0.776 175.245 176.094 -0.121 0.000 1.034 101 V CA -0.779 61.437 62.300 -0.140 0.000 0.865 101 V CB 2.073 33.664 31.823 -0.386 0.000 0.995 101 V HN 0.556 nan 8.190 nan 0.000 0.424 102 W N 2.936 124.324 121.300 0.147 0.000 2.573 102 W HA 0.689 5.355 4.660 0.010 0.000 0.326 102 W C 0.189 176.809 176.519 0.169 0.000 1.049 102 W CA -0.452 56.989 57.345 0.160 0.000 1.220 102 W CB 2.396 31.929 29.460 0.122 0.000 1.373 102 W HN 0.634 nan 8.180 nan 0.000 0.507 103 T N 0.329 115.132 114.554 0.414 0.000 2.883 103 T HA 0.503 4.858 4.350 0.009 0.000 0.301 103 T C -2.828 172.046 174.700 0.290 0.000 1.158 103 T CA -2.374 59.923 62.100 0.328 0.000 1.007 103 T CB 2.320 71.399 68.868 0.351 0.000 1.186 103 T HN -0.088 nan 8.240 nan 0.000 0.499 104 P HA 0.172 nan 4.420 nan 0.000 0.269 104 P C -1.555 175.890 177.300 0.242 0.000 1.211 104 P CA -0.058 63.160 63.100 0.198 0.000 0.781 104 P CB 0.071 31.855 31.700 0.140 0.000 0.877 105 Y N 2.559 122.913 120.300 0.091 0.000 2.338 105 Y HA 0.408 4.963 4.550 0.008 0.000 0.333 105 Y C -2.119 173.814 175.900 0.056 0.000 0.968 105 Y CA -2.435 55.711 58.100 0.077 0.000 1.123 105 Y CB 1.154 39.648 38.460 0.057 0.000 1.165 105 Y HN 0.335 nan 8.280 nan 0.000 0.452 106 P HA 0.195 nan 4.420 nan 0.000 0.272 106 P C -0.901 176.347 177.300 -0.086 0.000 1.240 106 P CA -0.328 62.557 63.100 -0.359 0.000 0.791 106 P CB 1.040 32.582 31.700 -0.264 0.000 0.978 107 R N 1.171 121.639 120.500 -0.053 0.000 2.640 107 R HA 0.146 4.491 4.340 0.009 0.000 0.270 107 R C -1.652 174.669 176.300 0.035 0.000 1.024 107 R CA -1.033 55.100 56.100 0.054 0.000 1.085 107 R CB -0.743 29.608 30.300 0.084 0.000 0.963 107 R HN 0.473 nan 8.270 nan 0.000 0.426 108 P HA -0.038 nan 4.420 nan 0.000 0.268 108 P C -0.199 177.117 177.300 0.027 0.000 1.204 108 P CA 0.191 63.318 63.100 0.045 0.000 0.768 108 P CB 0.958 32.694 31.700 0.060 0.000 0.842 109 A N 3.238 126.067 122.820 0.015 0.000 1.969 109 A HA -0.021 4.304 4.320 0.009 0.000 0.218 109 A C 1.158 178.746 177.584 0.007 0.000 1.169 109 A CA 1.405 53.446 52.037 0.006 0.000 0.635 109 A CB -0.700 18.302 19.000 0.002 0.000 0.810 109 A HN 0.701 nan 8.150 nan 0.000 0.445 110 S N -0.887 114.821 115.700 0.013 0.000 2.532 110 S HA 0.614 5.089 4.470 0.009 0.000 0.301 110 S C -3.170 171.442 174.600 0.018 0.000 1.083 110 S CA -1.884 56.322 58.200 0.011 0.000 1.025 110 S CB 1.267 64.472 63.200 0.008 0.000 1.056 110 S HN -0.002 nan 8.310 nan 0.000 0.494 111 P HA 0.135 nan 4.420 nan 0.000 0.256 111 P C -0.567 176.748 177.300 0.025 0.000 1.173 111 P CA 0.420 63.533 63.100 0.022 0.000 0.768 111 P CB -0.131 31.577 31.700 0.013 0.000 0.758 112 T N 6.207 120.785 114.554 0.040 0.000 2.837 112 T HA 0.365 4.720 4.350 0.009 0.000 0.285 112 T C -2.313 172.411 174.700 0.040 0.000 0.984 112 T CA -1.759 60.366 62.100 0.041 0.000 1.049 112 T CB 0.581 69.486 68.868 0.061 0.000 0.947 112 T HN 0.144 nan 8.240 nan 0.000 0.472 113 P HA 0.128 nan 4.420 nan 0.000 0.264 113 P C -0.900 176.424 177.300 0.039 0.000 1.183 113 P CA -0.147 62.959 63.100 0.010 0.000 0.763 113 P CB 0.352 32.039 31.700 -0.022 0.000 0.807 114 V N 5.229 125.176 119.914 0.055 0.000 2.435 114 V HA 0.328 4.453 4.120 0.009 0.000 0.290 114 V C 0.344 176.495 176.094 0.095 0.000 1.030 114 V CA -0.523 61.833 62.300 0.093 0.000 0.881 114 V CB 1.255 33.148 31.823 0.117 0.000 0.983 114 V HN 0.345 nan 8.190 nan 0.000 0.445 115 L N 5.768 127.059 121.223 0.112 0.000 2.307 115 L HA 0.609 4.955 4.340 0.009 0.000 0.284 115 L C -0.594 176.474 176.870 0.331 0.000 1.023 115 L CA -0.288 54.630 54.840 0.130 0.000 0.810 115 L CB 1.668 43.682 42.059 -0.075 0.000 1.231 115 L HN 0.489 nan 8.230 nan 0.000 0.423 116 I N 2.765 123.586 120.570 0.419 0.000 2.382 116 I HA 0.226 4.401 4.170 0.009 0.000 0.286 116 I C -0.762 175.675 176.117 0.534 0.000 1.002 116 I CA -0.417 61.130 61.300 0.413 0.000 1.135 116 I CB 1.467 39.584 38.000 0.196 0.000 1.288 116 I HN 0.626 nan 8.210 nan 0.000 0.448 117 W N 8.538 129.996 121.300 0.263 0.000 2.351 117 W HA 0.596 5.260 4.660 0.007 0.000 0.311 117 W C -1.571 174.876 176.519 -0.120 0.000 1.168 117 W CA -0.616 56.657 57.345 -0.120 0.000 1.200 117 W CB 1.250 30.657 29.460 -0.089 0.000 1.221 117 W HN 0.344 nan 8.180 nan 0.000 0.519 118 I N 8.791 128.735 120.570 -1.042 0.000 2.410 118 I HA 0.092 4.267 4.170 0.009 0.000 0.286 118 I C -0.292 175.081 176.117 -1.241 0.000 1.009 118 I CA -1.150 59.627 61.300 -0.871 0.000 1.111 118 I CB 0.893 38.547 38.000 -0.576 0.000 1.262 118 I HN 0.296 nan 8.210 nan 0.000 0.443 119 Y N 4.577 124.490 120.300 -0.646 0.000 2.357 119 Y HA 0.710 5.265 4.550 0.008 0.000 0.340 119 Y C 0.701 176.458 175.900 -0.239 0.000 1.260 119 Y CA -0.857 56.966 58.100 -0.462 0.000 1.425 119 Y CB 0.002 38.377 38.460 -0.141 0.000 1.326 119 Y HN 0.535 nan 8.280 nan 0.000 0.580 120 G N -0.791 108.035 108.800 0.043 0.000 2.583 120 G HA2 0.495 4.461 3.960 0.009 0.000 0.280 120 G HA3 0.495 4.461 3.960 0.009 0.000 0.280 120 G C 0.237 175.083 174.900 -0.089 0.000 1.376 120 G CA -0.937 44.106 45.100 -0.096 0.000 1.043 120 G HN 1.726 nan 8.290 nan 0.000 0.538 121 G N -2.797 105.799 108.800 -0.341 0.000 2.223 121 G HA2 0.407 4.373 3.960 0.009 0.000 0.200 121 G HA3 0.407 4.373 3.960 0.009 0.000 0.200 121 G C 1.021 175.449 174.900 -0.786 0.000 1.061 121 G CA 0.704 45.492 45.100 -0.520 0.000 0.790 121 G HN 2.334 nan 8.290 nan 0.000 0.498 122 G N -0.538 107.739 108.800 -0.871 0.000 2.187 122 G HA2 -0.132 3.833 3.960 0.009 0.000 0.261 122 G HA3 -0.132 3.833 3.960 0.009 0.000 0.261 122 G C 0.930 175.511 174.900 -0.532 0.000 1.000 122 G CA 0.837 45.099 45.100 -1.396 0.000 0.718 122 G HN 1.777 nan 8.290 nan 0.000 0.519 123 F N -3.510 116.323 119.950 -0.195 0.000 2.825 123 F HA -0.322 4.210 4.527 0.008 0.000 0.358 123 F C 1.469 177.423 175.800 0.256 0.000 0.639 123 F CA 2.266 60.288 58.000 0.036 0.000 1.153 123 F CB -2.033 36.817 39.000 -0.250 0.000 1.610 123 F HN 0.912 nan 8.300 nan 0.000 0.305 124 Y N -0.864 119.555 120.300 0.198 0.000 2.453 124 Y HA 0.641 5.196 4.550 0.009 0.000 0.247 124 Y C 0.650 176.678 175.900 0.214 0.000 1.124 124 Y CA 0.327 58.595 58.100 0.279 0.000 1.243 124 Y CB 0.055 38.682 38.460 0.278 0.000 1.213 124 Y HN 0.084 nan 8.280 nan 0.000 0.523 125 S N -0.596 114.842 115.700 -0.437 0.000 2.705 125 S HA 0.898 5.373 4.470 0.009 0.000 0.280 125 S C -0.109 174.323 174.600 -0.281 0.000 1.174 125 S CA -0.470 57.515 58.200 -0.358 0.000 0.823 125 S CB 1.503 64.350 63.200 -0.587 0.000 1.162 125 S HN 1.378 nan 8.310 nan 0.000 0.487 126 G N -0.646 107.955 108.800 -0.333 0.000 2.497 126 G HA2 0.528 4.493 3.960 0.009 0.000 0.686 126 G HA3 0.528 4.493 3.960 0.009 0.000 0.686 126 G C -0.599 173.644 174.900 -1.094 0.000 1.288 126 G CA -0.273 44.483 45.100 -0.573 0.000 0.899 126 G HN 2.227 nan 8.290 nan 0.000 0.608 127 A N -1.114 120.907 122.820 -1.333 0.000 2.605 127 A HA 1.000 5.325 4.320 0.009 0.000 0.294 127 A C 0.520 177.875 177.584 -0.381 0.000 1.062 127 A CA 0.646 52.163 52.037 -0.867 0.000 0.682 127 A CB 0.901 19.658 19.000 -0.404 0.000 1.278 127 A HN 2.595 nan 8.150 nan 0.000 0.410 128 A N 0.367 123.212 122.820 0.042 0.000 2.238 128 A HA 0.312 4.637 4.320 0.009 0.000 0.208 128 A C 1.535 179.170 177.584 0.085 0.000 1.177 128 A CA 1.581 53.823 52.037 0.342 0.000 0.804 128 A CB -0.519 18.768 19.000 0.478 0.000 0.823 128 A HN 1.769 nan 8.150 nan 0.000 0.482 129 S N -0.555 114.954 115.700 -0.318 0.000 2.556 129 S HA 0.356 4.831 4.470 0.009 0.000 0.216 129 S C 0.411 174.566 174.600 -0.743 0.000 0.970 129 S CA -0.465 57.079 58.200 -1.094 0.000 0.912 129 S CB -0.480 61.977 63.200 -1.240 0.000 0.790 129 S HN 0.359 nan 8.310 nan 0.000 0.504 130 L N 2.317 123.279 121.223 -0.434 0.000 2.456 130 L HA 0.170 4.515 4.340 0.009 0.000 0.272 130 L C 1.115 177.669 176.870 -0.526 0.000 1.189 130 L CA -0.412 54.121 54.840 -0.511 0.000 0.846 130 L CB 0.219 41.860 42.059 -0.697 0.000 1.111 130 L HN 0.084 nan 8.230 nan 0.000 0.475 131 D N 1.322 121.453 120.400 -0.449 0.000 2.158 131 D HA -0.155 4.491 4.640 0.009 0.000 0.197 131 D C 1.937 177.969 176.300 -0.447 0.000 0.995 131 D CA 1.361 55.157 54.000 -0.339 0.000 0.846 131 D CB 0.022 40.654 40.800 -0.280 0.000 0.941 131 D HN 0.539 nan 8.370 nan 0.000 0.456 132 V N -1.618 117.871 119.914 -0.707 0.000 3.305 132 V HA -0.117 4.008 4.120 0.009 0.000 0.269 132 V C 0.927 176.408 176.094 -1.021 0.000 1.157 132 V CA 0.922 62.756 62.300 -0.777 0.000 1.157 132 V CB -1.101 30.225 31.823 -0.829 0.000 0.772 132 V HN 0.062 nan 8.190 nan 0.000 0.498 133 Y N 0.049 119.794 120.300 -0.925 0.000 2.555 133 Y HA 0.459 5.014 4.550 0.008 0.000 0.259 133 Y C 0.807 176.133 175.900 -0.958 0.000 1.179 133 Y CA -1.998 55.200 58.100 -1.503 0.000 1.230 133 Y CB -0.663 37.239 38.460 -0.929 0.000 1.146 133 Y HN 0.247 nan 8.280 nan 0.000 0.526 134 D N 0.785 120.906 120.400 -0.465 0.000 2.412 134 D HA 0.051 4.697 4.640 0.009 0.000 0.257 134 D C 1.443 177.441 176.300 -0.502 0.000 1.217 134 D CA 0.495 54.282 54.000 -0.355 0.000 0.897 134 D CB 1.310 42.059 40.800 -0.085 0.000 1.132 134 D HN 0.454 nan 8.370 nan 0.000 0.493 135 G N 3.998 111.873 108.800 -1.542 0.000 2.848 135 G HA2 -0.187 3.778 3.960 0.009 0.000 0.208 135 G HA3 -0.187 3.778 3.960 0.009 0.000 0.208 135 G C 1.474 175.843 174.900 -0.884 0.000 1.152 135 G CA 0.383 44.762 45.100 -1.201 0.000 0.789 135 G HN 0.639 nan 8.290 nan 0.000 0.531 136 R N -0.617 119.303 120.500 -0.967 0.000 2.120 136 R HA -0.031 4.315 4.340 0.009 0.000 0.234 136 R C 1.730 177.751 176.300 -0.464 0.000 1.123 136 R CA 1.372 57.135 56.100 -0.561 0.000 0.975 136 R CB -0.669 29.308 30.300 -0.538 0.000 0.866 136 R HN 0.328 nan 8.270 nan 0.000 0.446 137 F N 1.386 121.257 119.950 -0.132 0.000 2.128 137 F HA 0.062 4.595 4.527 0.009 0.000 0.295 137 F C 2.284 178.031 175.800 -0.089 0.000 1.100 137 F CA 0.746 58.690 58.000 -0.094 0.000 1.260 137 F CB -0.583 38.352 39.000 -0.109 0.000 1.009 137 F HN -0.140 nan 8.300 nan 0.000 0.476 138 L N -0.006 121.252 121.223 0.058 0.000 2.046 138 L HA -0.212 4.133 4.340 0.009 0.000 0.208 138 L C 2.749 179.625 176.870 0.009 0.000 1.077 138 L CA 1.189 56.018 54.840 -0.018 0.000 0.747 138 L CB -1.043 40.951 42.059 -0.109 0.000 0.896 138 L HN 0.182 nan 8.230 nan 0.000 0.432 139 A N -0.806 122.026 122.820 0.019 0.000 1.865 139 A HA -0.279 4.046 4.320 0.009 0.000 0.217 139 A C 2.310 179.938 177.584 0.074 0.000 1.191 139 A CA 1.881 53.969 52.037 0.085 0.000 0.623 139 A CB -0.621 18.475 19.000 0.160 0.000 0.826 139 A HN 0.413 nan 8.150 nan 0.000 0.444 140 Q N -0.374 119.453 119.800 0.045 0.000 2.049 140 Q HA -0.080 4.265 4.340 0.009 0.000 0.198 140 Q C 2.208 178.238 176.000 0.051 0.000 0.971 140 Q CA 2.010 57.842 55.803 0.049 0.000 0.833 140 Q CB -0.230 28.519 28.738 0.018 0.000 0.896 140 Q HN 0.431 nan 8.270 nan 0.000 0.434 141 V N 0.936 120.879 119.914 0.049 0.000 2.446 141 V HA -0.083 4.042 4.120 0.009 0.000 0.244 141 V C 1.720 177.829 176.094 0.024 0.000 1.039 141 V CA 1.323 63.647 62.300 0.039 0.000 1.045 141 V CB -0.086 31.762 31.823 0.042 0.000 0.681 141 V HN 0.198 nan 8.190 nan 0.000 0.459 142 E N -0.045 120.167 120.200 0.019 0.000 2.474 142 E HA 0.192 4.547 4.350 0.009 0.000 0.195 142 E C 1.673 178.287 176.600 0.023 0.000 1.039 142 E CA 0.686 57.092 56.400 0.010 0.000 0.881 142 E CB 0.418 30.113 29.700 -0.007 0.000 0.970 142 E HN 0.576 nan 8.360 nan 0.000 0.486 143 G N 1.629 110.453 108.800 0.041 0.000 2.198 143 G HA2 -0.292 3.673 3.960 0.009 0.000 0.260 143 G HA3 -0.292 3.673 3.960 0.009 0.000 0.260 143 G C 0.421 175.359 174.900 0.063 0.000 1.025 143 G CA 0.470 45.604 45.100 0.056 0.000 0.769 143 G HN 0.469 nan 8.290 nan 0.000 0.507 144 A N -0.990 121.867 122.820 0.062 0.000 2.279 144 A HA 0.818 5.144 4.320 0.009 0.000 0.303 144 A C 0.333 177.985 177.584 0.115 0.000 1.108 144 A CA -0.188 51.888 52.037 0.065 0.000 0.830 144 A CB 1.558 20.575 19.000 0.028 0.000 1.106 144 A HN 1.106 nan 8.150 nan 0.000 0.493 145 V N 2.028 122.016 119.914 0.123 0.000 2.383 145 V HA 0.371 4.496 4.120 0.009 0.000 0.275 145 V C -0.186 176.025 176.094 0.195 0.000 1.036 145 V CA -0.122 62.282 62.300 0.172 0.000 0.889 145 V CB 0.802 32.719 31.823 0.156 0.000 0.985 145 V HN 0.708 nan 8.190 nan 0.000 0.459 146 L N 6.119 127.513 121.223 0.285 0.000 2.333 146 L HA 0.717 5.062 4.340 0.009 0.000 0.280 146 L C -0.843 176.309 176.870 0.470 0.000 1.004 146 L CA -0.330 54.727 54.840 0.362 0.000 0.820 146 L CB 1.819 44.084 42.059 0.344 0.000 1.247 146 L HN 0.441 nan 8.230 nan 0.000 0.416 147 V N 3.246 123.409 119.914 0.415 0.000 2.555 147 V HA 0.665 4.791 4.120 0.009 0.000 0.302 147 V C -0.345 176.012 176.094 0.438 0.000 1.038 147 V CA -0.433 62.079 62.300 0.354 0.000 0.887 147 V CB 1.948 33.905 31.823 0.223 0.000 0.991 147 V HN 0.846 nan 8.190 nan 0.000 0.434 148 S N 5.490 121.456 115.700 0.444 0.000 2.536 148 S HA 0.863 5.338 4.470 0.009 0.000 0.287 148 S C -0.812 173.974 174.600 0.310 0.000 1.101 148 S CA -0.822 57.647 58.200 0.449 0.000 0.950 148 S CB 2.199 65.785 63.200 0.644 0.000 1.056 148 S HN 0.838 nan 8.310 nan 0.000 0.481 149 M N 1.572 121.319 119.600 0.246 0.000 2.535 149 M HA 0.635 5.120 4.480 0.009 0.000 0.314 149 M C -1.594 174.942 176.300 0.392 0.000 1.153 149 M CA -0.512 54.926 55.300 0.229 0.000 0.924 149 M CB 1.162 33.739 32.600 -0.038 0.000 1.710 149 M HN 0.552 nan 8.290 nan 0.000 0.451 150 N N 2.888 121.876 118.700 0.480 0.000 2.525 150 N HA 0.547 5.292 4.740 0.009 0.000 0.271 150 N C -1.354 174.432 175.510 0.461 0.000 1.194 150 N CA 0.174 53.515 53.050 0.485 0.000 0.964 150 N CB 0.440 39.140 38.487 0.354 0.000 1.126 150 N HN 0.720 nan 8.380 nan 0.000 0.452 151 Y N -2.038 118.439 120.300 0.295 0.000 2.562 151 Y HA 0.556 5.111 4.550 0.009 0.000 0.345 151 Y C -0.153 175.887 175.900 0.233 0.000 1.045 151 Y CA -1.340 56.885 58.100 0.208 0.000 1.028 151 Y CB 0.936 39.451 38.460 0.091 0.000 1.297 151 Y HN 0.203 nan 8.280 nan 0.000 0.463 152 R N 1.910 122.567 120.500 0.261 0.000 2.537 152 R HA 0.476 4.821 4.340 0.009 0.000 0.280 152 R C -0.215 176.266 176.300 0.302 0.000 1.058 152 R CA -0.114 56.100 56.100 0.190 0.000 1.057 152 R CB 0.831 31.205 30.300 0.124 0.000 0.973 152 R HN 0.718 nan 8.270 nan 0.000 0.438 153 V N -0.107 120.025 119.914 0.364 0.000 3.181 153 V HA 0.862 4.987 4.120 0.009 0.000 0.314 153 V C 0.818 177.291 176.094 0.631 0.000 1.173 153 V CA -0.182 62.464 62.300 0.577 0.000 1.052 153 V CB 1.079 33.137 31.823 0.392 0.000 1.123 153 V HN 0.960 nan 8.190 nan 0.000 0.454 154 G N 1.543 110.766 108.800 0.705 0.000 2.581 154 G HA2 -0.319 3.647 3.960 0.009 0.000 0.291 154 G HA3 -0.319 3.647 3.960 0.009 0.000 0.291 154 G C 1.077 176.183 174.900 0.343 0.000 1.277 154 G CA 1.817 47.268 45.100 0.586 0.000 0.959 154 G HN 2.372 nan 8.290 nan 0.000 0.554 155 T N -1.806 112.660 114.554 -0.147 0.000 2.665 155 T HA -0.172 4.184 4.350 0.009 0.000 0.268 155 T C 2.141 176.757 174.700 -0.140 0.000 1.035 155 T CA 2.758 64.522 62.100 -0.560 0.000 1.151 155 T CB -0.516 67.861 68.868 -0.817 0.000 0.862 155 T HN 0.634 nan 8.240 nan 0.000 0.438 156 F N 2.200 122.244 119.950 0.158 0.000 2.202 156 F HA 0.186 4.719 4.527 0.008 0.000 0.301 156 F C 2.772 178.607 175.800 0.059 0.000 1.082 156 F CA 0.860 58.919 58.000 0.098 0.000 1.313 156 F CB -0.910 38.104 39.000 0.023 0.000 1.024 156 F HN 0.401 nan 8.300 nan 0.000 0.495 157 G N -2.110 106.796 108.800 0.177 0.000 2.719 157 G HA2 0.036 4.002 3.960 0.009 0.000 0.211 157 G HA3 0.036 4.002 3.960 0.009 0.000 0.211 157 G C 0.900 175.359 174.900 -0.736 0.000 1.140 157 G CA 0.224 45.156 45.100 -0.279 0.000 0.790 157 G HN 0.352 nan 8.290 nan 0.000 0.529 158 F N -0.665 119.405 119.950 0.200 0.000 2.915 158 F HA 0.427 4.960 4.527 0.009 0.000 0.347 158 F C 0.482 176.391 175.800 0.182 0.000 1.104 158 F CA -0.983 57.116 58.000 0.166 0.000 1.126 158 F CB 0.329 39.443 39.000 0.191 0.000 1.145 158 F HN -0.087 nan 8.300 nan 0.000 0.541 159 L N 2.155 123.459 121.223 0.134 0.000 2.499 159 L HA 0.528 4.874 4.340 0.009 0.000 0.273 159 L C -0.078 176.774 176.870 -0.030 0.000 1.195 159 L CA 0.028 54.853 54.840 -0.026 0.000 0.882 159 L CB 0.460 42.182 42.059 -0.562 0.000 1.133 159 L HN 0.123 nan 8.230 nan 0.000 0.483 160 A N 6.001 128.845 122.820 0.041 0.000 2.455 160 A HA 0.674 4.999 4.320 0.009 0.000 0.300 160 A C -1.249 176.322 177.584 -0.021 0.000 1.040 160 A CA -0.589 51.448 52.037 0.000 0.000 0.697 160 A CB 1.366 20.398 19.000 0.054 0.000 1.265 160 A HN 0.679 nan 8.150 nan 0.000 0.407 161 L N 3.329 124.525 121.223 -0.045 0.000 2.371 161 L HA 0.349 4.695 4.340 0.009 0.000 0.262 161 L C -2.427 174.437 176.870 -0.009 0.000 1.054 161 L CA -1.557 53.264 54.840 -0.031 0.000 0.924 161 L CB 1.415 43.445 42.059 -0.049 0.000 1.295 161 L HN 0.390 nan 8.230 nan 0.000 0.441 162 P HA 0.133 nan 4.420 nan 0.000 0.264 162 P C 0.967 178.272 177.300 0.009 0.000 1.193 162 P CA 0.627 63.733 63.100 0.010 0.000 0.763 162 P CB 1.013 32.719 31.700 0.010 0.000 0.810 163 G N 1.890 110.699 108.800 0.015 0.000 2.234 163 G HA2 -0.230 3.735 3.960 0.009 0.000 0.235 163 G HA3 -0.230 3.735 3.960 0.009 0.000 0.235 163 G C 0.382 175.291 174.900 0.015 0.000 0.997 163 G CA 0.212 45.321 45.100 0.014 0.000 0.623 163 G HN 0.787 nan 8.290 nan 0.000 0.514 164 S N -0.315 115.393 115.700 0.013 0.000 2.617 164 S HA 0.633 5.109 4.470 0.009 0.000 0.269 164 S C 1.105 175.719 174.600 0.024 0.000 1.292 164 S CA 0.452 58.660 58.200 0.014 0.000 1.010 164 S CB 2.132 65.335 63.200 0.006 0.000 0.944 164 S HN 0.494 nan 8.310 nan 0.000 0.536 165 R N 0.291 120.807 120.500 0.027 0.000 2.127 165 R HA 0.047 4.393 4.340 0.009 0.000 0.217 165 R C 1.275 177.602 176.300 0.045 0.000 1.074 165 R CA 1.099 57.220 56.100 0.035 0.000 0.991 165 R CB -0.130 30.189 30.300 0.032 0.000 0.895 165 R HN 0.815 nan 8.270 nan 0.000 0.450 166 E N -0.823 119.405 120.200 0.046 0.000 2.442 166 E HA 0.122 4.477 4.350 0.009 0.000 0.195 166 E C -0.320 176.335 176.600 0.093 0.000 1.030 166 E CA 0.605 57.046 56.400 0.069 0.000 0.869 166 E CB 1.266 31.007 29.700 0.068 0.000 0.857 166 E HN 0.268 nan 8.360 nan 0.000 0.505 167 A N 0.938 123.791 122.820 0.055 0.000 3.422 167 A HA 0.248 4.573 4.320 0.009 0.000 0.271 167 A C -2.192 175.404 177.584 0.019 0.000 1.104 167 A CA -0.836 51.222 52.037 0.035 0.000 0.899 167 A CB 0.397 19.351 19.000 -0.078 0.000 1.309 167 A HN -0.083 nan 8.150 nan 0.000 0.580 168 P HA 0.116 nan 4.420 nan 0.000 0.230 168 P C 0.967 178.292 177.300 0.041 0.000 1.158 168 P CA 1.858 64.984 63.100 0.042 0.000 0.769 168 P CB 0.109 31.843 31.700 0.057 0.000 0.807 169 G N 0.812 109.635 108.800 0.039 0.000 2.781 169 G HA2 -0.206 3.759 3.960 0.009 0.000 0.683 169 G HA3 -0.206 3.759 3.960 0.009 0.000 0.683 169 G C -0.016 174.896 174.900 0.021 0.000 1.390 169 G CA -0.248 44.880 45.100 0.047 0.000 0.850 169 G HN 0.154 nan 8.290 nan 0.000 0.557 170 N N -2.532 116.181 118.700 0.022 0.000 2.778 170 N HA -0.287 4.458 4.740 0.009 0.000 0.249 170 N C 1.888 177.278 175.510 -0.199 0.000 1.069 170 N CA 2.483 55.485 53.050 -0.080 0.000 0.831 170 N CB -1.660 36.718 38.487 -0.182 0.000 1.142 170 N HN 1.920 nan 8.380 nan 0.000 0.573 171 V N -2.579 117.220 119.914 -0.191 0.000 2.594 171 V HA -0.005 4.121 4.120 0.009 0.000 0.253 171 V C 2.323 178.301 176.094 -0.192 0.000 1.069 171 V CA 2.324 64.546 62.300 -0.131 0.000 1.082 171 V CB -0.934 30.863 31.823 -0.044 0.000 0.680 171 V HN 0.273 nan 8.190 nan 0.000 0.469 172 G N 0.526 109.012 108.800 -0.523 0.000 2.422 172 G HA2 -0.153 3.812 3.960 0.009 0.000 0.218 172 G HA3 -0.153 3.812 3.960 0.009 0.000 0.218 172 G C 1.554 176.425 174.900 -0.048 0.000 1.146 172 G CA 1.177 46.070 45.100 -0.344 0.000 0.769 172 G HN 0.539 nan 8.290 nan 0.000 0.547 173 L N -0.076 121.081 121.223 -0.110 0.000 2.093 173 L HA 0.035 4.380 4.340 0.009 0.000 0.208 173 L C 2.847 179.735 176.870 0.029 0.000 1.085 173 L CA 0.409 55.147 54.840 -0.170 0.000 0.755 173 L CB -0.319 41.307 42.059 -0.721 0.000 0.904 173 L HN 0.190 nan 8.230 nan 0.000 0.435 174 L N -0.565 120.677 121.223 0.031 0.000 2.093 174 L HA -0.204 4.142 4.340 0.009 0.000 0.208 174 L C 2.201 179.195 176.870 0.206 0.000 1.085 174 L CA 0.909 55.862 54.840 0.189 0.000 0.755 174 L CB -0.660 41.491 42.059 0.154 0.000 0.904 174 L HN 0.291 nan 8.230 nan 0.000 0.435 175 D N 0.016 120.529 120.400 0.188 0.000 2.123 175 D HA -0.211 4.434 4.640 0.009 0.000 0.196 175 D C 2.273 178.733 176.300 0.267 0.000 0.992 175 D CA 1.225 55.416 54.000 0.317 0.000 0.833 175 D CB -0.162 40.844 40.800 0.342 0.000 0.954 175 D HN 0.432 nan 8.370 nan 0.000 0.455 176 Q N 0.081 119.975 119.800 0.158 0.000 2.079 176 Q HA -0.082 4.264 4.340 0.009 0.000 0.200 176 Q C 2.302 178.306 176.000 0.007 0.000 0.974 176 Q CA 0.818 56.642 55.803 0.035 0.000 0.840 176 Q CB -0.031 28.734 28.738 0.046 0.000 0.898 176 Q HN 0.176 nan 8.270 nan 0.000 0.430 177 R N 0.574 121.183 120.500 0.181 0.000 2.091 177 R HA -0.184 4.161 4.340 0.009 0.000 0.238 177 R C 2.196 178.560 176.300 0.106 0.000 1.136 177 R CA 1.103 57.302 56.100 0.165 0.000 0.959 177 R CB -0.228 30.274 30.300 0.338 0.000 0.856 177 R HN 0.207 nan 8.270 nan 0.000 0.437 178 L N 0.492 121.802 121.223 0.144 0.000 2.093 178 L HA -0.025 4.320 4.340 0.009 0.000 0.208 178 L C 2.186 179.090 176.870 0.057 0.000 1.085 178 L CA 2.051 56.998 54.840 0.178 0.000 0.755 178 L CB -0.579 41.673 42.059 0.322 0.000 0.904 178 L HN 0.236 nan 8.230 nan 0.000 0.435 179 A N -0.704 121.937 122.820 -0.298 0.000 1.972 179 A HA -0.124 4.201 4.320 0.009 0.000 0.219 179 A C 2.203 179.728 177.584 -0.098 0.000 1.169 179 A CA 1.712 53.406 52.037 -0.571 0.000 0.635 179 A CB -0.720 17.703 19.000 -0.962 0.000 0.810 179 A HN 0.502 nan 8.150 nan 0.000 0.446 180 L N -1.166 120.027 121.223 -0.050 0.000 2.072 180 L HA -0.208 4.137 4.340 0.009 0.000 0.205 180 L C 2.807 179.738 176.870 0.101 0.000 1.079 180 L CA 1.425 56.281 54.840 0.027 0.000 0.752 180 L CB -0.805 41.240 42.059 -0.024 0.000 0.906 180 L HN 0.494 nan 8.230 nan 0.000 0.436 181 Q N -0.898 118.970 119.800 0.113 0.000 2.084 181 Q HA -0.259 4.086 4.340 0.009 0.000 0.202 181 Q C 2.034 178.123 176.000 0.148 0.000 0.978 181 Q CA 1.942 57.817 55.803 0.119 0.000 0.844 181 Q CB -0.296 28.515 28.738 0.122 0.000 0.898 181 Q HN 0.501 nan 8.270 nan 0.000 0.426 182 W N 0.644 121.961 121.300 0.029 0.000 2.321 182 W HA -0.269 4.396 4.660 0.008 0.000 0.306 182 W C 1.905 178.454 176.519 0.050 0.000 1.217 182 W CA 1.511 58.889 57.345 0.054 0.000 1.257 182 W CB -0.129 29.360 29.460 0.050 0.000 1.145 182 W HN -0.123 nan 8.180 nan 0.000 0.509 183 V N 0.595 120.728 119.914 0.365 0.000 2.358 183 V HA -0.331 3.794 4.120 0.009 0.000 0.246 183 V C 2.530 178.646 176.094 0.038 0.000 1.047 183 V CA 1.985 64.421 62.300 0.228 0.000 1.035 183 V CB -0.950 31.016 31.823 0.238 0.000 0.658 183 V HN 0.197 nan 8.190 nan 0.000 0.452 184 Q N -0.126 119.698 119.800 0.040 0.000 2.061 184 Q HA -0.273 4.072 4.340 0.009 0.000 0.204 184 Q C 2.259 178.225 176.000 -0.057 0.000 0.984 184 Q CA 2.261 58.068 55.803 0.007 0.000 0.846 184 Q CB -0.294 28.457 28.738 0.021 0.000 0.902 184 Q HN 0.804 nan 8.270 nan 0.000 0.421 185 E N -0.311 119.819 120.200 -0.116 0.000 2.112 185 E HA -0.075 4.280 4.350 0.009 0.000 0.190 185 E C 1.315 177.757 176.600 -0.262 0.000 0.979 185 E CA 0.729 57.026 56.400 -0.171 0.000 0.814 185 E CB 0.291 29.884 29.700 -0.177 0.000 0.762 185 E HN 0.289 nan 8.360 nan 0.000 0.460 186 N N -0.058 118.379 118.700 -0.438 0.000 2.397 186 N HA -0.017 4.729 4.740 0.009 0.000 0.190 186 N C 1.573 176.959 175.510 -0.207 0.000 1.099 186 N CA 0.096 52.831 53.050 -0.525 0.000 0.876 186 N CB 0.244 37.974 38.487 -1.261 0.000 1.143 186 N HN 0.126 nan 8.380 nan 0.000 0.468 187 I N 2.473 122.985 120.570 -0.096 0.000 2.530 187 I HA -0.145 4.030 4.170 0.009 0.000 0.257 187 I C 2.128 178.339 176.117 0.157 0.000 1.179 187 I CA 0.459 61.846 61.300 0.146 0.000 1.440 187 I CB -0.279 37.793 38.000 0.121 0.000 1.087 187 I HN 0.049 nan 8.210 nan 0.000 0.440 188 A N 0.143 122.984 122.820 0.037 0.000 2.019 188 A HA -0.119 4.206 4.320 0.009 0.000 0.219 188 A C 2.477 180.049 177.584 -0.019 0.000 1.164 188 A CA 1.565 53.608 52.037 0.011 0.000 0.644 188 A CB -1.000 17.983 19.000 -0.028 0.000 0.805 188 A HN 0.466 nan 8.150 nan 0.000 0.449 189 A N -1.490 121.281 122.820 -0.082 0.000 2.067 189 A HA 0.100 4.425 4.320 0.009 0.000 0.219 189 A C 1.557 178.916 177.584 -0.375 0.000 1.158 189 A CA 1.150 53.026 52.037 -0.268 0.000 0.661 189 A CB -0.584 18.157 19.000 -0.432 0.000 0.801 189 A HN 0.496 nan 8.150 nan 0.000 0.452 190 F N -1.181 118.712 119.950 -0.095 0.000 2.727 190 F HA 0.380 4.912 4.527 0.009 0.000 0.302 190 F C 1.718 177.514 175.800 -0.008 0.000 1.097 190 F CA 0.512 58.465 58.000 -0.078 0.000 1.330 190 F CB 0.274 39.229 39.000 -0.076 0.000 1.084 190 F HN 0.317 nan 8.300 nan 0.000 0.578 191 G N 0.471 109.348 108.800 0.128 0.000 2.131 191 G HA2 -0.145 3.820 3.960 0.009 0.000 0.223 191 G HA3 -0.145 3.820 3.960 0.009 0.000 0.223 191 G C 0.512 175.475 174.900 0.105 0.000 0.990 191 G CA -0.284 44.870 45.100 0.090 0.000 0.671 191 G HN 0.714 nan 8.290 nan 0.000 0.521 192 G N -0.643 108.236 108.800 0.131 0.000 2.448 192 G HA2 0.497 4.463 3.960 0.009 0.000 0.285 192 G HA3 0.497 4.463 3.960 0.009 0.000 0.285 192 G C -0.726 174.218 174.900 0.073 0.000 1.176 192 G CA 0.120 45.285 45.100 0.109 0.000 0.852 192 G HN 0.217 nan 8.290 nan 0.000 0.530 193 D N 1.393 121.828 120.400 0.059 0.000 2.428 193 D HA 0.278 4.924 4.640 0.009 0.000 0.221 193 D C -1.263 175.068 176.300 0.052 0.000 1.123 193 D CA -2.363 51.662 54.000 0.042 0.000 0.869 193 D CB 1.896 42.712 40.800 0.026 0.000 1.032 193 D HN 0.055 nan 8.370 nan 0.000 0.506 194 P HA -0.036 nan 4.420 nan 0.000 0.234 194 P C 1.052 178.392 177.300 0.067 0.000 1.167 194 P CA 0.537 63.671 63.100 0.056 0.000 0.763 194 P CB 0.137 31.856 31.700 0.031 0.000 0.835 195 M N -1.489 118.149 119.600 0.063 0.000 2.428 195 M HA 0.113 4.598 4.480 0.009 0.000 0.239 195 M C 0.634 177.007 176.300 0.123 0.000 1.121 195 M CA 0.424 55.779 55.300 0.092 0.000 1.019 195 M CB 0.248 32.886 32.600 0.064 0.000 1.485 195 M HN -0.185 nan 8.290 nan 0.000 0.484 196 S N 1.138 116.883 115.700 0.074 0.000 2.216 196 S HA 0.422 4.898 4.470 0.009 0.000 0.156 196 S C -0.983 173.651 174.600 0.056 0.000 1.665 196 S CA -0.440 57.769 58.200 0.015 0.000 1.262 196 S CB 0.469 63.635 63.200 -0.055 0.000 1.207 196 S HN 0.020 nan 8.310 nan 0.000 0.427 197 V N 3.621 123.614 119.914 0.131 0.000 2.409 197 V HA 0.523 4.648 4.120 0.009 0.000 0.291 197 V C 0.062 176.279 176.094 0.206 0.000 1.020 197 V CA -0.423 61.974 62.300 0.161 0.000 0.848 197 V CB 1.902 33.842 31.823 0.194 0.000 0.990 197 V HN 0.663 nan 8.190 nan 0.000 0.430 198 T N 6.695 121.339 114.554 0.150 0.000 2.771 198 T HA 0.572 4.928 4.350 0.009 0.000 0.281 198 T C -0.149 174.663 174.700 0.187 0.000 0.982 198 T CA -0.308 61.892 62.100 0.167 0.000 0.978 198 T CB 0.748 69.664 68.868 0.080 0.000 0.930 198 T HN 0.344 nan 8.240 nan 0.000 0.447 199 L N 5.135 126.434 121.223 0.126 0.000 2.371 199 L HA 0.652 4.997 4.340 0.009 0.000 0.272 199 L C -0.147 176.909 176.870 0.311 0.000 1.124 199 L CA -0.658 54.232 54.840 0.083 0.000 0.816 199 L CB 0.245 42.124 42.059 -0.301 0.000 1.129 199 L HN 0.701 nan 8.230 nan 0.000 0.448 200 F N -0.038 119.951 119.950 0.065 0.000 2.613 200 F HA 0.937 5.469 4.527 0.008 0.000 0.310 200 F C -0.247 175.495 175.800 -0.097 0.000 1.085 200 F CA -0.750 57.328 58.000 0.130 0.000 0.945 200 F CB 2.251 41.474 39.000 0.372 0.000 1.298 200 F HN 0.505 nan 8.300 nan 0.000 0.455 201 G N 1.217 109.819 108.800 -0.330 0.000 2.632 201 G HA2 0.451 4.416 3.960 0.009 0.000 0.292 201 G HA3 0.451 4.416 3.960 0.009 0.000 0.292 201 G C -2.711 171.929 174.900 -0.433 0.000 1.465 201 G CA -0.717 43.823 45.100 -0.932 0.000 0.824 201 G HN 0.837 nan 8.290 nan 0.000 0.509 202 E N 0.487 120.390 120.200 -0.495 0.000 2.256 202 E HA 0.660 5.015 4.350 0.009 0.000 0.267 202 E C 0.666 177.203 176.600 -0.105 0.000 0.892 202 E CA 0.298 56.649 56.400 -0.080 0.000 0.775 202 E CB 2.204 32.005 29.700 0.169 0.000 1.207 202 E HN 0.890 nan 8.360 nan 0.000 0.420 203 S N 2.454 118.164 115.700 0.016 0.000 4.059 203 S HA -0.387 4.088 4.470 0.009 0.000 0.624 203 S C 1.437 176.141 174.600 0.173 0.000 2.019 203 S CA 1.939 60.230 58.200 0.152 0.000 4.197 203 S CB -1.600 61.624 63.200 0.042 0.000 0.215 203 S HN 0.960 nan 8.310 nan 0.000 0.609 204 A N 1.051 123.845 122.820 -0.043 0.000 2.024 204 A HA 0.131 4.456 4.320 0.009 0.000 0.220 204 A C 2.445 179.782 177.584 -0.411 0.000 1.164 204 A CA 2.504 54.312 52.037 -0.383 0.000 0.643 204 A CB -1.585 16.725 19.000 -1.150 0.000 0.806 204 A HN 1.569 nan 8.150 nan 0.000 0.451 205 G N -0.457 108.152 108.800 -0.318 0.000 2.414 205 G HA2 0.014 3.980 3.960 0.009 0.000 0.215 205 G HA3 0.014 3.980 3.960 0.009 0.000 0.215 205 G C 1.789 176.520 174.900 -0.282 0.000 1.188 205 G CA 1.367 46.230 45.100 -0.395 0.000 0.783 205 G HN 0.778 nan 8.290 nan 0.000 0.537 206 A N 1.339 124.057 122.820 -0.169 0.000 1.883 206 A HA 0.161 4.486 4.320 0.009 0.000 0.217 206 A C 2.848 180.417 177.584 -0.025 0.000 1.186 206 A CA 2.582 54.583 52.037 -0.060 0.000 0.624 206 A CB -0.977 18.045 19.000 0.038 0.000 0.822 206 A HN 0.903 nan 8.150 nan 0.000 0.444 207 A N -0.628 122.209 122.820 0.027 0.000 1.908 207 A HA -0.115 4.210 4.320 0.009 0.000 0.218 207 A C 2.455 180.050 177.584 0.020 0.000 1.181 207 A CA 2.239 54.285 52.037 0.016 0.000 0.627 207 A CB -0.923 18.114 19.000 0.062 0.000 0.818 207 A HN 0.476 nan 8.150 nan 0.000 0.445 208 S N -0.502 115.207 115.700 0.014 0.000 2.348 208 S HA -0.146 4.329 4.470 0.009 0.000 0.221 208 S C 1.916 176.490 174.600 -0.044 0.000 1.033 208 S CA 1.418 59.585 58.200 -0.054 0.000 1.010 208 S CB -0.609 62.501 63.200 -0.150 0.000 0.891 208 S HN 0.354 nan 8.310 nan 0.000 0.442 209 V N 1.786 121.680 119.914 -0.034 0.000 2.317 209 V HA -0.242 3.884 4.120 0.009 0.000 0.251 209 V C 2.599 178.702 176.094 0.015 0.000 1.065 209 V CA 2.089 64.377 62.300 -0.020 0.000 1.049 209 V CB -1.544 30.231 31.823 -0.079 0.000 0.651 209 V HN 0.615 nan 8.190 nan 0.000 0.450 210 G N -1.205 107.594 108.800 -0.001 0.000 2.418 210 G HA2 -0.287 3.679 3.960 0.009 0.000 0.217 210 G HA3 -0.287 3.679 3.960 0.009 0.000 0.217 210 G C 1.619 176.545 174.900 0.044 0.000 1.158 210 G CA 1.134 46.241 45.100 0.011 0.000 0.771 210 G HN 0.453 nan 8.290 nan 0.000 0.545 211 M N -0.151 119.453 119.600 0.006 0.000 2.229 211 M HA 0.017 4.503 4.480 0.009 0.000 0.264 211 M C 2.326 178.697 176.300 0.119 0.000 1.063 211 M CA 0.870 56.200 55.300 0.050 0.000 1.114 211 M CB -0.213 32.388 32.600 0.001 0.000 1.387 211 M HN 0.216 nan 8.290 nan 0.000 0.420 212 H N -0.091 119.113 119.070 0.223 0.000 2.387 212 H HA -0.066 4.495 4.556 0.008 0.000 0.299 212 H C 2.135 177.684 175.328 0.368 0.000 1.090 212 H CA 1.549 57.749 56.048 0.254 0.000 1.332 212 H CB -0.457 29.369 29.762 0.107 0.000 1.386 212 H HN 0.419 nan 8.280 nan 0.000 0.516 213 I N 0.646 121.496 120.570 0.467 0.000 2.264 213 I HA -0.247 3.928 4.170 0.009 0.000 0.248 213 I C 1.853 178.154 176.117 0.306 0.000 1.111 213 I CA 1.139 62.715 61.300 0.460 0.000 1.382 213 I CB -0.115 38.074 38.000 0.314 0.000 1.060 213 I HN 0.110 nan 8.210 nan 0.000 0.418 214 L N -0.752 120.603 121.223 0.220 0.000 2.592 214 L HA 0.115 4.460 4.340 0.009 0.000 0.227 214 L C 0.815 177.725 176.870 0.066 0.000 1.127 214 L CA -0.005 54.935 54.840 0.168 0.000 0.884 214 L CB 0.077 42.219 42.059 0.138 0.000 1.065 214 L HN 0.016 nan 8.230 nan 0.000 0.457 215 S N -0.328 115.382 115.700 0.016 0.000 2.530 215 S HA 0.368 4.843 4.470 0.009 0.000 0.322 215 S C 1.071 175.592 174.600 -0.132 0.000 1.085 215 S CA -0.647 57.446 58.200 -0.178 0.000 1.096 215 S CB 1.167 64.006 63.200 -0.601 0.000 0.988 215 S HN 0.159 nan 8.310 nan 0.000 0.466 216 L N 5.338 126.484 121.223 -0.128 0.000 1.978 216 L HA -0.089 4.256 4.340 0.009 0.000 0.218 216 L C -0.726 176.092 176.870 -0.086 0.000 1.075 216 L CA 1.835 56.619 54.840 -0.093 0.000 0.767 216 L CB -1.504 40.503 42.059 -0.086 0.000 0.890 216 L HN 0.519 nan 8.230 nan 0.000 0.434 217 P HA -0.126 nan 4.420 nan 0.000 0.217 217 P C 1.687 178.981 177.300 -0.011 0.000 1.148 217 P CA 1.303 64.368 63.100 -0.058 0.000 0.828 217 P CB 0.096 31.758 31.700 -0.064 0.000 0.783 218 S N -1.088 114.623 115.700 0.018 0.000 2.395 218 S HA -0.047 4.428 4.470 0.009 0.000 0.225 218 S C 1.897 176.590 174.600 0.156 0.000 1.027 218 S CA 0.600 58.909 58.200 0.181 0.000 0.965 218 S CB -0.465 62.979 63.200 0.408 0.000 0.812 218 S HN 0.049 nan 8.310 nan 0.000 0.482 219 R N 1.975 122.477 120.500 0.003 0.000 2.170 219 R HA -0.059 4.287 4.340 0.009 0.000 0.242 219 R C 2.177 178.257 176.300 -0.367 0.000 1.145 219 R CA 1.477 57.412 56.100 -0.276 0.000 0.984 219 R CB -1.143 29.050 30.300 -0.178 0.000 0.869 219 R HN 0.578 nan 8.270 nan 0.000 0.455 220 S N -0.512 115.081 115.700 -0.177 0.000 2.603 220 S HA 0.101 4.577 4.470 0.009 0.000 0.220 220 S C 1.600 176.143 174.600 -0.096 0.000 0.967 220 S CA 0.087 58.197 58.200 -0.150 0.000 0.920 220 S CB -0.040 63.107 63.200 -0.088 0.000 0.773 220 S HN 0.221 nan 8.310 nan 0.000 0.529 221 L N 0.262 121.460 121.223 -0.042 0.000 2.766 221 L HA 0.509 4.854 4.340 0.009 0.000 0.242 221 L C -0.050 176.953 176.870 0.221 0.000 1.136 221 L CA -0.363 54.534 54.840 0.096 0.000 0.933 221 L CB 0.113 42.261 42.059 0.149 0.000 1.241 221 L HN 0.503 nan 8.230 nan 0.000 0.522 222 F N -4.496 115.460 119.950 0.010 0.000 2.741 222 F HA 0.417 4.949 4.527 0.008 0.000 0.313 222 F C 0.450 176.280 175.800 0.050 0.000 1.153 222 F CA -1.005 57.024 58.000 0.048 0.000 0.931 222 F CB 1.192 40.225 39.000 0.055 0.000 1.335 222 F HN -0.216 nan 8.300 nan 0.000 0.460 223 H N -0.913 118.240 119.070 0.138 0.000 2.657 223 H HA 0.547 5.108 4.556 0.008 0.000 0.262 223 H C -0.114 175.273 175.328 0.099 0.000 0.965 223 H CA 0.003 56.054 56.048 0.006 0.000 1.184 223 H CB 0.675 30.437 29.762 0.001 0.000 1.443 223 H HN 0.526 nan 8.280 nan 0.000 0.462 224 R N -0.356 120.403 120.500 0.432 0.000 2.799 224 R HA 0.736 5.082 4.340 0.009 0.000 0.270 224 R C -1.722 174.846 176.300 0.445 0.000 1.010 224 R CA -0.595 55.704 56.100 0.332 0.000 0.916 224 R CB 2.500 32.785 30.300 -0.025 0.000 1.228 224 R HN 0.147 nan 8.270 nan 0.000 0.469 225 A N 0.951 124.035 122.820 0.440 0.000 2.549 225 A HA 0.683 5.008 4.320 0.009 0.000 0.297 225 A C -1.511 176.227 177.584 0.257 0.000 1.061 225 A CA -0.595 51.618 52.037 0.294 0.000 0.690 225 A CB 1.955 21.080 19.000 0.209 0.000 1.287 225 A HN 0.311 nan 8.150 nan 0.000 0.402 226 V N 1.937 121.957 119.914 0.178 0.000 2.487 226 V HA 0.486 4.611 4.120 0.009 0.000 0.298 226 V C -1.125 175.048 176.094 0.132 0.000 1.028 226 V CA -0.275 62.072 62.300 0.079 0.000 0.860 226 V CB 1.290 33.177 31.823 0.107 0.000 0.991 226 V HN 0.686 nan 8.190 nan 0.000 0.427 227 L N 5.368 126.641 121.223 0.083 0.000 2.295 227 L HA 0.515 4.861 4.340 0.009 0.000 0.281 227 L C 0.040 177.001 176.870 0.152 0.000 1.018 227 L CA 0.057 54.947 54.840 0.083 0.000 0.841 227 L CB 1.447 43.516 42.059 0.018 0.000 1.218 227 L HN 0.613 nan 8.230 nan 0.000 0.424 228 Q N 2.106 122.042 119.800 0.227 0.000 2.368 228 Q HA 0.416 4.761 4.340 0.009 0.000 0.256 228 Q C 0.195 176.327 176.000 0.219 0.000 0.980 228 Q CA -0.509 55.494 55.803 0.333 0.000 0.887 228 Q CB 1.275 30.304 28.738 0.484 0.000 1.221 228 Q HN 0.624 nan 8.270 nan 0.000 0.458 229 S N 1.063 116.882 115.700 0.197 0.000 3.682 229 S HA -0.158 4.317 4.470 0.009 0.000 0.354 229 S C 0.005 174.798 174.600 0.321 0.000 1.034 229 S CA 0.562 58.906 58.200 0.240 0.000 1.084 229 S CB -1.141 62.203 63.200 0.241 0.000 0.903 229 S HN 0.998 nan 8.310 nan 0.000 0.470 230 G N -0.418 108.524 108.800 0.238 0.000 2.556 230 G HA2 0.624 4.590 3.960 0.009 0.000 0.294 230 G HA3 0.624 4.590 3.960 0.009 0.000 0.294 230 G C -0.933 174.031 174.900 0.107 0.000 1.516 230 G CA 0.190 45.478 45.100 0.313 0.000 0.824 230 G HN 0.904 nan 8.290 nan 0.000 0.535 231 T N -1.119 113.432 114.554 -0.005 0.000 2.868 231 T HA 0.753 5.108 4.350 0.009 0.000 0.306 231 T C -2.302 172.254 174.700 -0.241 0.000 1.224 231 T CA -1.401 60.625 62.100 -0.124 0.000 1.012 231 T CB 3.058 71.837 68.868 -0.149 0.000 1.221 231 T HN 0.278 nan 8.240 nan 0.000 0.499 232 P HA -0.013 nan 4.420 nan 0.000 0.218 232 P C 0.234 177.383 177.300 -0.253 0.000 1.152 232 P CA 0.676 63.658 63.100 -0.195 0.000 0.826 232 P CB -0.110 31.529 31.700 -0.101 0.000 0.790 233 N N 0.802 119.371 118.700 -0.218 0.000 2.424 233 N HA 0.330 5.075 4.740 0.009 0.000 0.257 233 N C 0.700 176.018 175.510 -0.320 0.000 1.250 233 N CA 0.533 53.453 53.050 -0.217 0.000 0.946 233 N CB 0.602 38.998 38.487 -0.150 0.000 1.175 233 N HN 0.221 nan 8.380 nan 0.000 0.477 234 G N -0.286 108.331 108.800 -0.305 0.000 2.381 234 G HA2 -0.061 3.904 3.960 0.009 0.000 0.672 234 G HA3 -0.061 3.904 3.960 0.009 0.000 0.672 234 G C -2.442 172.223 174.900 -0.391 0.000 1.324 234 G CA -0.368 44.499 45.100 -0.388 0.000 0.975 234 G HN 0.483 nan 8.290 nan 0.000 0.593 235 P HA 0.119 nan 4.420 nan 0.000 0.236 235 P C 1.358 178.597 177.300 -0.101 0.000 1.177 235 P CA 1.790 64.759 63.100 -0.219 0.000 0.773 235 P CB -0.015 31.532 31.700 -0.254 0.000 0.878 236 W N -1.564 119.651 121.300 -0.142 0.000 2.873 236 W HA 0.545 5.210 4.660 0.007 0.000 0.282 236 W C 1.144 177.735 176.519 0.120 0.000 1.118 236 W CA 0.456 57.801 57.345 0.000 0.000 1.480 236 W CB -0.819 28.696 29.460 0.093 0.000 0.954 236 W HN -0.173 nan 8.180 nan 0.000 0.591 237 A N 1.943 124.433 122.820 -0.550 0.000 2.119 237 A HA 0.137 4.463 4.320 0.009 0.000 0.216 237 A C 1.148 178.565 177.584 -0.278 0.000 1.152 237 A CA 1.818 53.591 52.037 -0.439 0.000 0.708 237 A CB -0.791 17.697 19.000 -0.853 0.000 0.805 237 A HN 0.273 nan 8.150 nan 0.000 0.460 238 T N -3.617 110.800 114.554 -0.228 0.000 2.812 238 T HA 0.628 4.983 4.350 0.009 0.000 0.294 238 T C -0.746 173.879 174.700 -0.126 0.000 1.159 238 T CA -0.115 61.866 62.100 -0.198 0.000 1.008 238 T CB 1.452 70.213 68.868 -0.179 0.000 1.289 238 T HN 0.938 nan 8.240 nan 0.000 0.514 239 V N -1.350 118.500 119.914 -0.108 0.000 2.971 239 V HA 0.851 4.976 4.120 0.009 0.000 0.309 239 V C 0.240 176.297 176.094 -0.062 0.000 1.130 239 V CA -0.840 61.413 62.300 -0.079 0.000 0.964 239 V CB 1.249 33.026 31.823 -0.077 0.000 1.029 239 V HN 1.420 nan 8.190 nan 0.000 0.427 240 S N 2.373 118.041 115.700 -0.053 0.000 2.580 240 S HA 0.490 4.965 4.470 0.009 0.000 0.266 240 S C 1.509 176.091 174.600 -0.030 0.000 1.354 240 S CA 0.201 58.378 58.200 -0.039 0.000 1.008 240 S CB 1.092 64.270 63.200 -0.037 0.000 0.898 240 S HN 2.058 nan 8.310 nan 0.000 0.555 241 A N 2.433 125.242 122.820 -0.019 0.000 1.883 241 A HA 0.061 4.387 4.320 0.009 0.000 0.217 241 A C 2.304 179.878 177.584 -0.016 0.000 1.186 241 A CA 1.932 53.963 52.037 -0.011 0.000 0.624 241 A CB -1.953 17.045 19.000 -0.004 0.000 0.822 241 A HN 1.221 nan 8.150 nan 0.000 0.444 242 G N -0.433 108.354 108.800 -0.021 0.000 2.476 242 G HA2 -0.306 3.659 3.960 0.009 0.000 0.218 242 G HA3 -0.306 3.659 3.960 0.009 0.000 0.218 242 G C 1.488 176.370 174.900 -0.031 0.000 1.164 242 G CA 1.564 46.650 45.100 -0.024 0.000 0.768 242 G HN 0.627 nan 8.290 nan 0.000 0.560 243 E N 0.900 121.076 120.200 -0.040 0.000 2.072 243 E HA 0.139 4.494 4.350 0.009 0.000 0.190 243 E C 2.641 179.204 176.600 -0.060 0.000 0.982 243 E CA 1.373 57.740 56.400 -0.055 0.000 0.803 243 E CB -0.589 29.072 29.700 -0.065 0.000 0.755 243 E HN 0.272 nan 8.360 nan 0.000 0.453 244 A N 1.025 123.819 122.820 -0.045 0.000 1.940 244 A HA -0.203 4.122 4.320 0.009 0.000 0.219 244 A C 2.289 179.874 177.584 0.002 0.000 1.176 244 A CA 1.779 53.803 52.037 -0.022 0.000 0.631 244 A CB -0.645 18.360 19.000 0.010 0.000 0.814 244 A HN 0.292 nan 8.150 nan 0.000 0.446 245 R N -0.592 119.903 120.500 -0.008 0.000 2.075 245 R HA -0.107 4.238 4.340 0.009 0.000 0.232 245 R C 2.430 178.724 176.300 -0.011 0.000 1.126 245 R CA 1.498 57.593 56.100 -0.007 0.000 0.963 245 R CB -0.317 29.976 30.300 -0.012 0.000 0.858 245 R HN 0.519 nan 8.270 nan 0.000 0.435 246 R N 0.323 120.808 120.500 -0.025 0.000 2.083 246 R HA -0.140 4.205 4.340 0.009 0.000 0.237 246 R C 2.296 178.580 176.300 -0.027 0.000 1.137 246 R CA 1.900 57.982 56.100 -0.030 0.000 0.951 246 R CB -0.070 30.204 30.300 -0.044 0.000 0.851 246 R HN 0.254 nan 8.270 nan 0.000 0.434 247 R N -0.292 120.180 120.500 -0.047 0.000 2.066 247 R HA -0.051 4.294 4.340 0.009 0.000 0.232 247 R C 2.390 178.757 176.300 0.111 0.000 1.131 247 R CA 1.318 57.385 56.100 -0.055 0.000 0.955 247 R CB -0.395 29.738 30.300 -0.280 0.000 0.851 247 R HN 0.240 nan 8.270 nan 0.000 0.432 248 A N 0.643 123.560 122.820 0.161 0.000 1.892 248 A HA -0.203 4.122 4.320 0.009 0.000 0.218 248 A C 2.187 179.796 177.584 0.042 0.000 1.188 248 A CA 2.220 54.341 52.037 0.141 0.000 0.631 248 A CB -1.016 18.005 19.000 0.035 0.000 0.822 248 A HN 0.331 nan 8.150 nan 0.000 0.447 249 T N -0.028 114.536 114.554 0.016 0.000 2.708 249 T HA -0.136 4.219 4.350 0.009 0.000 0.266 249 T C 1.838 176.541 174.700 0.004 0.000 1.037 249 T CA 1.476 63.574 62.100 -0.004 0.000 1.146 249 T CB -0.399 68.462 68.868 -0.011 0.000 0.865 249 T HN 0.302 nan 8.240 nan 0.000 0.435 250 L N 1.098 122.331 121.223 0.016 0.000 2.017 250 L HA 0.055 4.400 4.340 0.009 0.000 0.208 250 L C 2.252 179.145 176.870 0.038 0.000 1.073 250 L CA 1.502 56.352 54.840 0.018 0.000 0.745 250 L CB -1.016 41.049 42.059 0.010 0.000 0.894 250 L HN 0.223 nan 8.230 nan 0.000 0.432 251 L N -0.286 120.990 121.223 0.089 0.000 1.989 251 L HA -0.171 4.174 4.340 0.009 0.000 0.211 251 L C 2.554 179.428 176.870 0.008 0.000 1.071 251 L CA 2.117 57.015 54.840 0.097 0.000 0.749 251 L CB -0.840 41.331 42.059 0.187 0.000 0.890 251 L HN 0.314 nan 8.230 nan 0.000 0.431 252 A N -0.246 122.568 122.820 -0.010 0.000 1.915 252 A HA -0.356 3.969 4.320 0.009 0.000 0.220 252 A C 2.507 180.070 177.584 -0.035 0.000 1.198 252 A CA 2.437 54.454 52.037 -0.034 0.000 0.647 252 A CB -0.857 18.120 19.000 -0.037 0.000 0.825 252 A HN 0.558 nan 8.150 nan 0.000 0.456 253 R N -0.670 119.814 120.500 -0.027 0.000 2.073 253 R HA -0.054 4.291 4.340 0.009 0.000 0.234 253 R C 2.062 178.330 176.300 -0.053 0.000 1.134 253 R CA 1.583 57.665 56.100 -0.030 0.000 0.952 253 R CB -0.407 29.881 30.300 -0.020 0.000 0.850 253 R HN 0.568 nan 8.270 nan 0.000 0.433 254 L N 0.646 121.830 121.223 -0.066 0.000 2.265 254 L HA -0.105 4.240 4.340 0.009 0.000 0.215 254 L C 1.910 178.590 176.870 -0.317 0.000 1.117 254 L CA 0.718 55.474 54.840 -0.141 0.000 0.782 254 L CB -0.091 41.924 42.059 -0.074 0.000 0.914 254 L HN 0.218 nan 8.230 nan 0.000 0.441 255 V N -3.931 115.843 119.914 -0.234 0.000 3.542 255 V HA 0.500 4.625 4.120 0.009 0.000 0.296 255 V C 1.061 177.102 176.094 -0.089 0.000 1.364 255 V CA 0.215 62.390 62.300 -0.209 0.000 1.118 255 V CB -0.225 31.521 31.823 -0.128 0.000 0.972 255 V HN 0.408 nan 8.190 nan 0.000 0.430 256 G N -0.188 108.570 108.800 -0.070 0.000 2.203 256 G HA2 -0.206 3.760 3.960 0.009 0.000 0.231 256 G HA3 -0.206 3.760 3.960 0.009 0.000 0.231 256 G C -0.128 174.760 174.900 -0.020 0.000 1.058 256 G CA -0.090 44.990 45.100 -0.033 0.000 0.781 256 G HN 0.733 nan 8.290 nan 0.000 0.496 257 c N 1.711 120.297 118.600 -0.024 0.000 2.321 257 c HA 0.583 5.158 4.570 0.009 0.000 0.323 257 c C -0.936 173.145 174.090 -0.015 0.000 1.191 257 c CA -1.464 54.857 56.329 -0.014 0.000 1.455 257 c CB 1.052 43.555 42.510 -0.011 0.000 2.083 257 c HN 0.510 nan 8.230 nan 0.000 0.442 265 N N 0.711 119.410 118.700 -0.003 0.000 2.202 265 N HA 0.084 4.830 4.740 0.009 0.000 0.218 265 N C 0.612 176.119 175.510 -0.004 0.000 1.328 265 N CA 0.819 53.868 53.050 -0.003 0.000 0.884 265 N CB 0.548 39.035 38.487 0.000 0.000 1.106 265 N HN -0.124 nan 8.380 nan 0.000 0.439 266 D N -1.136 119.261 120.400 -0.005 0.000 2.183 266 D HA -0.081 4.564 4.640 0.009 0.000 0.203 266 D C 1.498 177.797 176.300 -0.002 0.000 0.969 266 D CA 1.347 55.342 54.000 -0.009 0.000 0.842 266 D CB -0.689 40.105 40.800 -0.010 0.000 0.957 266 D HN 0.654 nan 8.370 nan 0.000 0.484 267 T N 1.112 115.670 114.554 0.007 0.000 2.622 267 T HA -0.146 4.209 4.350 0.009 0.000 0.266 267 T C 1.801 176.512 174.700 0.018 0.000 1.047 267 T CA 1.142 63.252 62.100 0.016 0.000 1.159 267 T CB -0.242 68.636 68.868 0.017 0.000 0.863 267 T HN 0.261 nan 8.240 nan 0.000 0.422 268 E N 0.593 120.800 120.200 0.012 0.000 2.058 268 E HA -0.125 4.230 4.350 0.009 0.000 0.194 268 E C 2.259 178.866 176.600 0.012 0.000 0.997 268 E CA 0.949 57.356 56.400 0.012 0.000 0.801 268 E CB -0.335 29.369 29.700 0.008 0.000 0.746 268 E HN 0.340 nan 8.360 nan 0.000 0.450 269 L N 0.776 122.000 121.223 0.002 0.000 2.012 269 L HA -0.213 4.132 4.340 0.009 0.000 0.210 269 L C 2.257 179.126 176.870 -0.001 0.000 1.073 269 L CA 1.289 56.124 54.840 -0.007 0.000 0.748 269 L CB -0.074 41.971 42.059 -0.023 0.000 0.891 269 L HN 0.110 nan 8.230 nan 0.000 0.431 270 I N -0.608 119.965 120.570 0.006 0.000 2.286 270 I HA -0.209 3.966 4.170 0.009 0.000 0.245 270 I C 2.692 178.874 176.117 0.108 0.000 1.104 270 I CA 0.959 62.282 61.300 0.039 0.000 1.397 270 I CB -0.512 37.513 38.000 0.041 0.000 1.072 270 I HN 0.289 nan 8.210 nan 0.000 0.417 271 A N -0.184 122.679 122.820 0.072 0.000 1.908 271 A HA -0.318 4.007 4.320 0.009 0.000 0.218 271 A C 2.532 180.154 177.584 0.065 0.000 1.181 271 A CA 2.118 54.195 52.037 0.067 0.000 0.627 271 A CB -1.431 17.594 19.000 0.043 0.000 0.818 271 A HN 0.621 nan 8.150 nan 0.000 0.445 272 c N -0.461 118.169 118.600 0.051 0.000 2.432 272 c HA -0.017 4.558 4.570 0.009 0.000 0.277 272 c C 2.457 176.585 174.090 0.064 0.000 1.249 272 c CA 1.065 57.420 56.329 0.043 0.000 1.725 272 c CB -1.577 40.947 42.510 0.023 0.000 2.028 272 c HN 0.593 nan 8.230 nan 0.000 0.477 273 L N 0.146 121.424 121.223 0.091 0.000 2.556 273 L HA -0.145 4.201 4.340 0.009 0.000 0.230 273 L C 2.726 179.708 176.870 0.188 0.000 1.163 273 L CA 1.239 56.171 54.840 0.152 0.000 0.819 273 L CB -0.591 41.586 42.059 0.196 0.000 0.939 273 L HN 0.461 nan 8.230 nan 0.000 0.452 274 R N -1.858 118.716 120.500 0.125 0.000 2.287 274 R HA 0.032 4.377 4.340 0.009 0.000 0.197 274 R C 1.222 177.527 176.300 0.008 0.000 0.900 274 R CA 0.914 57.056 56.100 0.070 0.000 1.052 274 R CB 0.543 30.899 30.300 0.093 0.000 1.117 274 R HN 0.174 nan 8.270 nan 0.000 0.568 275 T N -0.036 114.528 114.554 0.016 0.000 13.157 275 T HA -0.254 4.101 4.350 0.009 0.000 0.419 275 T C 0.070 174.785 174.700 0.026 0.000 1.441 275 T CA 1.823 63.938 62.100 0.026 0.000 2.364 275 T CB -0.704 68.184 68.868 0.034 0.000 2.813 275 T HN 0.203 nan 8.240 nan 0.000 0.644 276 R N 3.017 123.540 120.500 0.038 0.000 2.490 276 R HA 0.413 4.758 4.340 0.009 0.000 0.280 276 R C -2.585 173.731 176.300 0.028 0.000 1.077 276 R CA -1.826 54.296 56.100 0.038 0.000 1.065 276 R CB -0.231 30.098 30.300 0.048 0.000 1.003 276 R HN 0.397 nan 8.270 nan 0.000 0.470 277 P HA 0.054 nan 4.420 nan 0.000 0.271 277 P C 0.237 177.530 177.300 -0.012 0.000 1.216 277 P CA 0.085 63.185 63.100 0.000 0.000 0.771 277 P CB 0.676 32.386 31.700 0.018 0.000 0.864 278 A N 2.961 125.712 122.820 -0.114 0.000 1.927 278 A HA -0.307 4.019 4.320 0.009 0.000 0.220 278 A C 2.171 179.659 177.584 -0.160 0.000 1.185 278 A CA 2.063 53.984 52.037 -0.192 0.000 0.639 278 A CB -1.262 17.158 19.000 -0.968 0.000 0.820 278 A HN 0.535 nan 8.150 nan 0.000 0.451 279 Q N -0.155 119.543 119.800 -0.170 0.000 2.124 279 Q HA -0.153 4.193 4.340 0.009 0.000 0.202 279 Q C 1.430 177.524 176.000 0.157 0.000 0.977 279 Q CA 1.922 57.783 55.803 0.097 0.000 0.850 279 Q CB -0.346 28.495 28.738 0.172 0.000 0.901 279 Q HN 0.640 nan 8.270 nan 0.000 0.429 280 D N -0.452 120.027 120.400 0.132 0.000 2.149 280 D HA -0.150 4.495 4.640 0.009 0.000 0.198 280 D C 1.804 178.251 176.300 0.245 0.000 0.990 280 D CA 1.013 55.134 54.000 0.202 0.000 0.839 280 D CB -0.115 40.780 40.800 0.159 0.000 0.948 280 D HN 0.307 nan 8.370 nan 0.000 0.460 281 L N 0.134 121.443 121.223 0.143 0.000 2.017 281 L HA -0.152 4.193 4.340 0.009 0.000 0.208 281 L C 2.599 179.550 176.870 0.135 0.000 1.073 281 L CA 0.678 55.558 54.840 0.065 0.000 0.745 281 L CB -0.588 41.366 42.059 -0.174 0.000 0.894 281 L HN -0.057 nan 8.230 nan 0.000 0.432 282 V N -0.092 119.959 119.914 0.230 0.000 2.287 282 V HA -0.308 3.817 4.120 0.009 0.000 0.248 282 V C 2.039 178.267 176.094 0.223 0.000 1.053 282 V CA 2.007 64.494 62.300 0.313 0.000 1.027 282 V CB -0.599 31.510 31.823 0.478 0.000 0.646 282 V HN 0.430 nan 8.190 nan 0.000 0.447 283 D N -0.990 119.516 120.400 0.175 0.000 2.265 283 D HA -0.152 4.494 4.640 0.009 0.000 0.208 283 D C 1.726 177.913 176.300 -0.188 0.000 0.977 283 D CA 1.402 55.406 54.000 0.006 0.000 0.871 283 D CB -0.208 40.569 40.800 -0.040 0.000 0.925 283 D HN 0.660 nan 8.370 nan 0.000 0.485 284 H N -1.296 117.831 119.070 0.095 0.000 2.893 284 H HA 0.120 4.681 4.556 0.009 0.000 0.270 284 H C 1.595 176.996 175.328 0.121 0.000 1.095 284 H CA 0.105 56.219 56.048 0.110 0.000 1.186 284 H CB 0.516 30.381 29.762 0.171 0.000 1.562 284 H HN 0.227 nan 8.280 nan 0.000 0.536 285 E N 0.202 120.536 120.200 0.224 0.000 2.153 285 E HA -0.236 4.120 4.350 0.009 0.000 0.194 285 E C 1.545 178.293 176.600 0.246 0.000 0.988 285 E CA 0.929 57.520 56.400 0.319 0.000 0.811 285 E CB -0.333 29.575 29.700 0.346 0.000 0.746 285 E HN 0.573 nan 8.360 nan 0.000 0.466 286 W N 1.806 123.038 121.300 -0.113 0.000 2.425 286 W HA -0.077 4.587 4.660 0.008 0.000 0.277 286 W C 1.452 177.942 176.519 -0.047 0.000 1.231 286 W CA 1.675 58.916 57.345 -0.173 0.000 1.248 286 W CB -0.174 29.084 29.460 -0.337 0.000 1.117 286 W HN 0.168 nan 8.180 nan 0.000 0.568 287 H N -1.067 118.042 119.070 0.066 0.000 2.546 287 H HA -0.074 4.487 4.556 0.009 0.000 0.277 287 H C 2.074 177.316 175.328 -0.144 0.000 1.004 287 H CA 1.123 57.123 56.048 -0.079 0.000 1.231 287 H CB 0.085 29.917 29.762 0.116 0.000 1.382 287 H HN 0.157 nan 8.280 nan 0.000 0.580 288 V N -1.165 118.750 119.914 0.002 0.000 3.623 288 V HA 0.125 4.251 4.120 0.009 0.000 0.271 288 V C 0.586 176.577 176.094 -0.172 0.000 1.248 288 V CA 0.056 62.317 62.300 -0.065 0.000 1.156 288 V CB -0.626 31.173 31.823 -0.040 0.000 0.870 288 V HN 0.125 nan 8.190 nan 0.000 0.453 289 L N 2.426 123.501 121.223 -0.247 0.000 2.410 289 L HA 0.266 4.611 4.340 0.009 0.000 0.273 289 L C -0.342 176.397 176.870 -0.219 0.000 1.152 289 L CA -1.141 53.542 54.840 -0.261 0.000 0.855 289 L CB 1.067 42.920 42.059 -0.343 0.000 1.129 289 L HN 0.144 nan 8.230 nan 0.000 0.463 290 P HA -0.108 nan 4.420 nan 0.000 0.217 290 P C -0.338 176.888 177.300 -0.124 0.000 1.150 290 P CA 1.168 64.192 63.100 -0.128 0.000 0.832 290 P CB 0.374 32.013 31.700 -0.102 0.000 0.787 291 Q N -0.938 118.783 119.800 -0.131 0.000 2.423 291 Q HA 0.341 4.686 4.340 0.009 0.000 0.278 291 Q C -0.531 175.389 176.000 -0.133 0.000 1.097 291 Q CA -0.766 54.971 55.803 -0.110 0.000 0.809 291 Q CB 1.418 30.112 28.738 -0.074 0.000 1.391 291 Q HN -0.008 nan 8.270 nan 0.000 0.428 292 E N 1.223 121.361 120.200 -0.103 0.000 2.558 292 E HA 0.212 4.568 4.350 0.009 0.000 0.255 292 E C -0.978 175.599 176.600 -0.037 0.000 0.968 292 E CA 0.273 56.633 56.400 -0.065 0.000 0.939 292 E CB 0.289 29.986 29.700 -0.005 0.000 0.921 292 E HN 0.625 nan 8.360 nan 0.000 0.477 293 S N 3.505 119.193 115.700 -0.021 0.000 2.552 293 S HA 0.545 5.021 4.470 0.009 0.000 0.272 293 S C -0.461 174.143 174.600 0.006 0.000 1.150 293 S CA -1.060 57.127 58.200 -0.022 0.000 0.849 293 S CB 0.608 63.767 63.200 -0.070 0.000 1.113 293 S HN 0.515 nan 8.310 nan 0.000 0.458 294 I N -1.929 118.642 120.570 0.000 0.000 2.863 294 I HA 0.781 4.956 4.170 0.009 0.000 0.311 294 I C 0.038 176.109 176.117 -0.077 0.000 1.026 294 I CA -1.203 60.101 61.300 0.007 0.000 1.077 294 I CB 0.454 38.504 38.000 0.085 0.000 1.262 294 I HN 0.743 nan 8.210 nan 0.000 0.461 295 F N 1.595 121.315 119.950 -0.383 0.000 3.067 295 F HA -0.199 4.334 4.527 0.009 0.000 0.279 295 F C -0.175 175.090 175.800 -0.891 0.000 0.945 295 F CA 0.692 58.212 58.000 -0.799 0.000 0.948 295 F CB -0.667 37.776 39.000 -0.927 0.000 0.898 295 F HN 0.539 nan 8.300 nan 0.000 0.746 296 R N 0.330 120.356 120.500 -0.791 0.000 2.686 296 R HA 0.668 5.013 4.340 0.009 0.000 0.283 296 R C -0.990 174.839 176.300 -0.786 0.000 0.978 296 R CA -0.603 55.135 56.100 -0.604 0.000 0.897 296 R CB 1.501 31.660 30.300 -0.235 0.000 1.192 296 R HN 0.011 nan 8.270 nan 0.000 0.457 297 F N -0.923 119.111 119.950 0.141 0.000 2.576 297 F HA 0.350 4.882 4.527 0.008 0.000 0.313 297 F C 1.470 177.290 175.800 0.033 0.000 1.078 297 F CA -0.774 57.303 58.000 0.128 0.000 0.921 297 F CB 1.924 41.099 39.000 0.292 0.000 1.232 297 F HN 0.348 nan 8.300 nan 0.000 0.459 298 S N 0.581 116.376 115.700 0.158 0.000 2.355 298 S HA 0.002 4.477 4.470 0.009 0.000 0.222 298 S C -0.030 174.287 174.600 -0.471 0.000 1.031 298 S CA 1.177 59.255 58.200 -0.203 0.000 0.993 298 S CB -0.186 62.923 63.200 -0.151 0.000 0.859 298 S HN 0.358 nan 8.310 nan 0.000 0.453 299 F N 1.559 121.639 119.950 0.215 0.000 2.434 299 F HA 0.534 5.067 4.527 0.009 0.000 0.355 299 F C -0.103 175.778 175.800 0.135 0.000 1.115 299 F CA -0.948 57.173 58.000 0.203 0.000 1.010 299 F CB 1.344 40.499 39.000 0.258 0.000 1.234 299 F HN -0.109 nan 8.300 nan 0.000 0.439 300 V N 0.827 120.753 119.914 0.020 0.000 3.141 300 V HA 0.757 4.882 4.120 0.009 0.000 0.312 300 V C -2.873 172.894 176.094 -0.546 0.000 1.157 300 V CA -3.378 58.623 62.300 -0.499 0.000 1.041 300 V CB 1.979 33.671 31.823 -0.219 0.000 1.071 300 V HN 0.257 nan 8.190 nan 0.000 0.441 301 P HA 0.122 nan 4.420 nan 0.000 0.264 301 P C -0.707 176.470 177.300 -0.205 0.000 1.179 301 P CA 0.463 63.304 63.100 -0.432 0.000 0.763 301 P CB 0.563 31.921 31.700 -0.571 0.000 0.806 302 V N 5.008 124.878 119.914 -0.074 0.000 2.513 302 V HA 0.198 4.324 4.120 0.009 0.000 0.299 302 V C -0.218 175.863 176.094 -0.022 0.000 1.035 302 V CA -0.855 61.423 62.300 -0.038 0.000 0.889 302 V CB 1.971 33.801 31.823 0.012 0.000 0.988 302 V HN 0.139 nan 8.190 nan 0.000 0.440 303 V N 7.623 127.523 119.914 -0.025 0.000 2.324 303 V HA 0.117 4.242 4.120 0.009 0.000 0.244 303 V C 0.893 176.995 176.094 0.014 0.000 1.144 303 V CA 0.494 62.793 62.300 -0.003 0.000 1.158 303 V CB -0.109 31.703 31.823 -0.018 0.000 1.254 303 V HN 1.065 nan 8.190 nan 0.000 0.492 304 D N 2.498 122.922 120.400 0.040 0.000 2.367 304 D HA 0.119 4.764 4.640 0.009 0.000 0.207 304 D C 1.563 177.888 176.300 0.042 0.000 1.034 304 D CA 0.707 54.733 54.000 0.044 0.000 0.861 304 D CB 0.326 41.165 40.800 0.065 0.000 0.943 304 D HN 0.651 nan 8.370 nan 0.000 0.515 305 G N 0.617 109.442 108.800 0.042 0.000 2.148 305 G HA2 -0.318 3.648 3.960 0.009 0.000 0.254 305 G HA3 -0.318 3.648 3.960 0.009 0.000 0.254 305 G C 0.372 175.296 174.900 0.040 0.000 0.981 305 G CA 0.746 45.865 45.100 0.032 0.000 0.670 305 G HN 0.547 nan 8.290 nan 0.000 0.528 306 D N -1.702 118.739 120.400 0.068 0.000 3.054 306 D HA 0.243 4.888 4.640 0.009 0.000 0.209 306 D C 1.690 178.050 176.300 0.099 0.000 1.527 306 D CA 0.430 54.476 54.000 0.076 0.000 1.427 306 D CB -0.615 40.242 40.800 0.094 0.000 1.059 306 D HN 0.080 nan 8.370 nan 0.000 0.243 307 F N 1.326 121.288 119.950 0.020 0.000 2.102 307 F HA 0.201 4.733 4.527 0.008 0.000 0.298 307 F C 0.550 176.355 175.800 0.008 0.000 1.105 307 F CA 1.179 59.191 58.000 0.021 0.000 1.239 307 F CB 0.110 39.123 39.000 0.022 0.000 0.991 307 F HN -0.021 nan 8.300 nan 0.000 0.474 308 L N 0.959 122.360 121.223 0.298 0.000 2.276 308 L HA 0.200 4.545 4.340 0.009 0.000 0.286 308 L C 1.362 178.277 176.870 0.074 0.000 1.024 308 L CA -0.164 54.769 54.840 0.156 0.000 0.826 308 L CB 1.363 43.501 42.059 0.132 0.000 1.211 308 L HN 0.097 nan 8.230 nan 0.000 0.422 309 S N 0.357 116.078 115.700 0.035 0.000 2.453 309 S HA 0.011 4.486 4.470 0.009 0.000 0.231 309 S C 0.425 175.033 174.600 0.013 0.000 1.005 309 S CA 0.335 58.545 58.200 0.017 0.000 0.949 309 S CB 0.163 63.361 63.200 -0.003 0.000 0.774 309 S HN 0.718 nan 8.310 nan 0.000 0.510 310 D N 0.356 120.765 120.400 0.016 0.000 2.692 310 D HA 0.281 4.926 4.640 0.009 0.000 0.303 310 D C -0.953 175.350 176.300 0.006 0.000 1.278 310 D CA -0.045 53.959 54.000 0.007 0.000 0.852 310 D CB 1.433 42.235 40.800 0.003 0.000 1.375 310 D HN 0.194 nan 8.370 nan 0.000 0.453 311 T N -0.535 114.015 114.554 -0.007 0.000 2.940 311 T HA 0.201 4.556 4.350 0.009 0.000 0.309 311 T C -1.781 172.910 174.700 -0.015 0.000 1.056 311 T CA -0.652 61.435 62.100 -0.021 0.000 1.137 311 T CB 0.955 69.804 68.868 -0.031 0.000 0.976 311 T HN 0.112 nan 8.240 nan 0.000 0.547 312 P HA -0.132 nan 4.420 nan 0.000 0.217 312 P C 1.325 178.614 177.300 -0.019 0.000 1.148 312 P CA 1.158 64.243 63.100 -0.026 0.000 0.834 312 P CB 0.095 31.751 31.700 -0.074 0.000 0.783 313 E N -0.587 119.593 120.200 -0.035 0.000 2.031 313 E HA -0.145 4.210 4.350 0.009 0.000 0.193 313 E C 2.185 178.786 176.600 0.003 0.000 0.994 313 E CA 1.638 58.023 56.400 -0.024 0.000 0.800 313 E CB -1.141 28.537 29.700 -0.036 0.000 0.752 313 E HN 0.118 nan 8.360 nan 0.000 0.447 314 A N 0.406 123.227 122.820 0.003 0.000 1.933 314 A HA -0.155 4.171 4.320 0.009 0.000 0.218 314 A C 2.185 179.790 177.584 0.035 0.000 1.175 314 A CA 1.209 53.253 52.037 0.013 0.000 0.628 314 A CB -0.640 18.362 19.000 0.003 0.000 0.814 314 A HN 0.193 nan 8.150 nan 0.000 0.444 315 L N -0.183 121.069 121.223 0.048 0.000 2.109 315 L HA -0.103 4.242 4.340 0.009 0.000 0.207 315 L C 2.575 179.555 176.870 0.184 0.000 1.086 315 L CA 1.382 56.274 54.840 0.086 0.000 0.760 315 L CB -0.601 41.510 42.059 0.086 0.000 0.910 315 L HN 0.664 nan 8.230 nan 0.000 0.437 316 I N -2.652 118.018 120.570 0.168 0.000 2.439 316 I HA -0.150 4.025 4.170 0.009 0.000 0.251 316 I C 1.882 178.125 176.117 0.210 0.000 1.139 316 I CA 1.374 62.807 61.300 0.221 0.000 1.438 316 I CB -0.421 37.600 38.000 0.034 0.000 1.085 316 I HN 0.159 nan 8.210 nan 0.000 0.427 317 N N 1.202 119.970 118.700 0.114 0.000 2.331 317 N HA -0.103 4.643 4.740 0.009 0.000 0.180 317 N C 1.746 177.304 175.510 0.081 0.000 1.019 317 N CA 2.002 55.103 53.050 0.084 0.000 0.881 317 N CB -0.232 38.282 38.487 0.044 0.000 0.972 317 N HN 0.704 nan 8.380 nan 0.000 0.435 318 T N -4.183 110.413 114.554 0.070 0.000 3.040 318 T HA 0.327 4.683 4.350 0.009 0.000 0.266 318 T C 0.916 175.590 174.700 -0.043 0.000 1.005 318 T CA -0.379 61.731 62.100 0.017 0.000 0.906 318 T CB 0.023 68.890 68.868 -0.001 0.000 1.082 318 T HN 0.039 nan 8.240 nan 0.000 0.531 319 G N 0.795 109.563 108.800 -0.054 0.000 2.569 319 G HA2 0.406 4.371 3.960 0.009 0.000 0.249 319 G HA3 0.406 4.371 3.960 0.009 0.000 0.249 319 G C -1.028 173.514 174.900 -0.597 0.000 1.216 319 G CA -0.369 44.478 45.100 -0.422 0.000 0.845 319 G HN 0.273 nan 8.290 nan 0.000 0.568 320 D N 0.401 120.395 120.400 -0.677 0.000 2.317 320 D HA 0.312 4.958 4.640 0.009 0.000 0.234 320 D C -0.506 175.396 176.300 -0.663 0.000 1.112 320 D CA -0.564 53.151 54.000 -0.475 0.000 0.840 320 D CB 0.808 41.456 40.800 -0.253 0.000 1.078 320 D HN 0.106 nan 8.370 nan 0.000 0.486 321 F N 2.172 122.124 119.950 0.003 0.000 2.855 321 F HA 0.223 4.755 4.527 0.009 0.000 0.317 321 F C 2.011 177.818 175.800 0.011 0.000 1.169 321 F CA -0.421 57.585 58.000 0.010 0.000 1.299 321 F CB 0.250 39.266 39.000 0.026 0.000 0.962 321 F HN 0.357 nan 8.300 nan 0.000 0.506 322 Q N 1.008 120.858 119.800 0.084 0.000 2.061 322 Q HA -0.229 4.116 4.340 0.009 0.000 0.204 322 Q C 1.100 177.139 176.000 0.064 0.000 0.984 322 Q CA 2.214 58.053 55.803 0.060 0.000 0.846 322 Q CB 0.029 28.774 28.738 0.012 0.000 0.902 322 Q HN 0.512 nan 8.270 nan 0.000 0.421 323 D N -0.894 119.533 120.400 0.046 0.000 2.336 323 D HA 0.067 4.712 4.640 0.009 0.000 0.228 323 D C -0.323 176.015 176.300 0.064 0.000 1.120 323 D CA -0.109 53.911 54.000 0.033 0.000 0.839 323 D CB 0.042 40.828 40.800 -0.024 0.000 0.932 323 D HN 0.053 nan 8.370 nan 0.000 0.509 324 L N 1.504 122.800 121.223 0.121 0.000 2.322 324 L HA 0.383 4.728 4.340 0.009 0.000 0.279 324 L C -0.860 176.110 176.870 0.166 0.000 1.036 324 L CA -0.422 54.512 54.840 0.158 0.000 0.807 324 L CB 1.476 43.670 42.059 0.224 0.000 1.226 324 L HN 0.100 nan 8.230 nan 0.000 0.433 325 Q N 4.936 124.857 119.800 0.202 0.000 2.304 325 Q HA 0.695 5.040 4.340 0.009 0.000 0.270 325 Q C -1.384 174.891 176.000 0.459 0.000 1.035 325 Q CA -0.947 55.020 55.803 0.274 0.000 0.781 325 Q CB 2.258 31.133 28.738 0.228 0.000 1.261 325 Q HN 0.481 nan 8.270 nan 0.000 0.444 326 V N 0.050 120.190 119.914 0.376 0.000 2.823 326 V HA 0.710 4.835 4.120 0.009 0.000 0.312 326 V C -1.108 174.927 176.094 -0.097 0.000 1.072 326 V CA -1.072 61.359 62.300 0.219 0.000 0.937 326 V CB 1.905 33.769 31.823 0.068 0.000 1.013 326 V HN 0.727 nan 8.190 nan 0.000 0.430 327 L N 5.623 126.555 121.223 -0.486 0.000 2.313 327 L HA 0.903 5.249 4.340 0.009 0.000 0.283 327 L C -0.307 176.432 176.870 -0.219 0.000 1.013 327 L CA -0.400 54.080 54.840 -0.599 0.000 0.816 327 L CB 1.373 42.616 42.059 -1.360 0.000 1.236 327 L HN 1.061 nan 8.230 nan 0.000 0.419 328 V N 2.219 122.081 119.914 -0.088 0.000 2.962 328 V HA 1.135 5.260 4.120 0.009 0.000 0.313 328 V C -0.260 175.647 176.094 -0.311 0.000 1.099 328 V CA 0.206 62.446 62.300 -0.101 0.000 0.971 328 V CB 1.329 33.063 31.823 -0.147 0.000 1.028 328 V HN 1.123 nan 8.190 nan 0.000 0.430 329 G N 0.815 109.278 108.800 -0.562 0.000 2.430 329 G HA2 0.770 4.735 3.960 0.009 0.000 0.300 329 G HA3 0.770 4.735 3.960 0.009 0.000 0.300 329 G C -1.199 173.368 174.900 -0.555 0.000 1.330 329 G CA 0.079 44.445 45.100 -1.224 0.000 0.813 329 G HN 2.117 nan 8.290 nan 0.000 0.487 330 V N -2.327 117.391 119.914 -0.328 0.000 3.159 330 V HA 0.918 5.043 4.120 0.009 0.000 0.308 330 V C 0.215 176.507 176.094 0.329 0.000 1.190 330 V CA -0.404 61.944 62.300 0.081 0.000 1.037 330 V CB 1.160 33.012 31.823 0.047 0.000 1.060 330 V HN 1.873 nan 8.190 nan 0.000 0.437 331 V N -0.078 120.057 119.914 0.369 0.000 3.109 331 V HA 0.576 4.701 4.120 0.009 0.000 0.317 331 V C 1.385 177.683 176.094 0.339 0.000 1.074 331 V CA -0.023 62.548 62.300 0.451 0.000 1.033 331 V CB 1.256 33.357 31.823 0.463 0.000 1.111 331 V HN 1.078 nan 8.190 nan 0.000 0.458 332 K N -0.234 120.359 120.400 0.322 0.000 2.097 332 K HA -0.071 4.255 4.320 0.009 0.000 0.206 332 K C 0.420 177.150 176.600 0.216 0.000 1.049 332 K CA 1.879 58.306 56.287 0.234 0.000 0.933 332 K CB 0.071 32.682 32.500 0.185 0.000 0.717 332 K HN 0.896 nan 8.250 nan 0.000 0.442 333 D N 0.996 121.534 120.400 0.229 0.000 2.634 333 D HA 0.029 4.675 4.640 0.009 0.000 0.318 333 D C 0.135 176.573 176.300 0.231 0.000 1.226 333 D CA -0.055 54.069 54.000 0.207 0.000 0.899 333 D CB 1.290 42.189 40.800 0.166 0.000 1.025 333 D HN 0.135 nan 8.370 nan 0.000 0.501 334 E N 0.506 120.852 120.200 0.245 0.000 2.118 334 E HA -0.124 4.232 4.350 0.009 0.000 0.195 334 E C 1.952 178.721 176.600 0.282 0.000 0.992 334 E CA 0.749 57.323 56.400 0.291 0.000 0.804 334 E CB 0.145 29.979 29.700 0.223 0.000 0.741 334 E HN 0.437 nan 8.360 nan 0.000 0.458 335 G N 0.936 109.863 108.800 0.212 0.000 2.539 335 G HA2 -0.169 3.796 3.960 0.009 0.000 0.215 335 G HA3 -0.169 3.796 3.960 0.009 0.000 0.215 335 G C 1.710 176.774 174.900 0.274 0.000 1.141 335 G CA 0.833 46.063 45.100 0.217 0.000 0.806 335 G HN 0.370 nan 8.290 nan 0.000 0.533 336 S N 1.588 117.413 115.700 0.207 0.000 2.374 336 S HA -0.053 4.422 4.470 0.009 0.000 0.227 336 S C 2.592 177.214 174.600 0.036 0.000 1.037 336 S CA 1.692 59.987 58.200 0.158 0.000 1.024 336 S CB -0.595 62.636 63.200 0.052 0.000 0.861 336 S HN 0.551 nan 8.310 nan 0.000 0.456 337 A N 0.771 123.546 122.820 -0.076 0.000 1.972 337 A HA 0.131 4.456 4.320 0.009 0.000 0.219 337 A C 1.878 179.387 177.584 -0.126 0.000 1.169 337 A CA 1.310 53.172 52.037 -0.293 0.000 0.635 337 A CB -1.054 17.660 19.000 -0.478 0.000 0.810 337 A HN 0.583 nan 8.150 nan 0.000 0.446 338 F N 0.108 120.037 119.950 -0.036 0.000 2.365 338 F HA -0.026 4.506 4.527 0.008 0.000 0.300 338 F C 1.950 177.793 175.800 0.071 0.000 1.090 338 F CA 0.798 58.788 58.000 -0.016 0.000 1.408 338 F CB -0.364 38.557 39.000 -0.130 0.000 1.060 338 F HN 0.112 nan 8.300 nan 0.000 0.534 339 L N -0.166 121.145 121.223 0.147 0.000 2.093 339 L HA -0.145 4.200 4.340 0.009 0.000 0.208 339 L C 2.456 179.394 176.870 0.114 0.000 1.085 339 L CA 1.086 55.873 54.840 -0.090 0.000 0.755 339 L CB -0.978 40.764 42.059 -0.527 0.000 0.904 339 L HN 0.166 nan 8.230 nan 0.000 0.435 340 V N -4.213 115.853 119.914 0.253 0.000 3.141 340 V HA -0.177 3.948 4.120 0.009 0.000 0.265 340 V C 0.762 176.902 176.094 0.077 0.000 1.126 340 V CA 0.692 63.148 62.300 0.260 0.000 1.141 340 V CB -1.219 30.798 31.823 0.324 0.000 0.743 340 V HN 0.249 nan 8.190 nan 0.000 0.492 341 Y N 2.367 122.740 120.300 0.122 0.000 2.817 341 Y HA 0.652 5.207 4.550 0.008 0.000 0.339 341 Y C 1.464 177.418 175.900 0.090 0.000 1.281 341 Y CA -0.044 58.105 58.100 0.083 0.000 1.564 341 Y CB 0.179 38.669 38.460 0.050 0.000 1.628 341 Y HN 0.369 nan 8.280 nan 0.000 0.489 342 G N 0.658 109.567 108.800 0.182 0.000 2.149 342 G HA2 -0.224 3.741 3.960 0.009 0.000 0.235 342 G HA3 -0.224 3.741 3.960 0.009 0.000 0.235 342 G C -0.553 174.451 174.900 0.175 0.000 1.018 342 G CA -0.075 45.127 45.100 0.171 0.000 0.728 342 G HN 0.338 nan 8.290 nan 0.000 0.508 343 V N 1.390 121.415 119.914 0.186 0.000 2.348 343 V HA 0.394 4.519 4.120 0.009 0.000 0.270 343 V C -1.509 174.795 176.094 0.350 0.000 1.037 343 V CA -1.725 60.705 62.300 0.216 0.000 0.872 343 V CB 1.427 33.295 31.823 0.076 0.000 1.002 343 V HN 0.147 nan 8.190 nan 0.000 0.464 344 P HA 0.284 nan 4.420 nan 0.000 0.265 344 P C 1.012 178.435 177.300 0.205 0.000 1.193 344 P CA 1.200 64.417 63.100 0.195 0.000 0.765 344 P CB 0.775 32.551 31.700 0.126 0.000 0.823 345 G N 1.549 110.403 108.800 0.090 0.000 2.391 345 G HA2 -0.184 3.782 3.960 0.009 0.000 0.204 345 G HA3 -0.184 3.782 3.960 0.009 0.000 0.204 345 G C -0.235 174.500 174.900 -0.276 0.000 1.012 345 G CA -0.599 44.410 45.100 -0.151 0.000 0.651 345 G HN 0.391 nan 8.290 nan 0.000 0.494 346 F N 1.784 121.757 119.950 0.040 0.000 2.399 346 F HA 0.813 5.345 4.527 0.008 0.000 0.334 346 F C 0.663 176.564 175.800 0.169 0.000 1.097 346 F CA -0.059 57.985 58.000 0.073 0.000 1.076 346 F CB 2.171 41.265 39.000 0.158 0.000 1.162 346 F HN 0.164 nan 8.300 nan 0.000 0.495 347 S N 1.159 117.106 115.700 0.413 0.000 2.550 347 S HA 0.261 4.736 4.470 0.009 0.000 0.270 347 S C 0.314 175.232 174.600 0.530 0.000 1.145 347 S CA -0.886 57.560 58.200 0.411 0.000 0.852 347 S CB 1.388 64.729 63.200 0.236 0.000 1.119 347 S HN 0.771 nan 8.310 nan 0.000 0.465 348 K N 1.101 121.729 120.400 0.379 0.000 2.365 348 K HA 0.074 4.399 4.320 0.009 0.000 0.199 348 K C -0.064 176.572 176.600 0.060 0.000 1.045 348 K CA 1.306 57.697 56.287 0.173 0.000 0.962 348 K CB -0.088 32.235 32.500 -0.295 0.000 0.759 348 K HN 0.455 nan 8.250 nan 0.000 0.469 349 D N 0.833 121.267 120.400 0.056 0.000 2.369 349 D HA 0.027 4.672 4.640 0.009 0.000 0.211 349 D C -0.350 175.984 176.300 0.057 0.000 1.077 349 D CA 0.135 54.132 54.000 -0.006 0.000 0.842 349 D CB 0.190 40.961 40.800 -0.048 0.000 0.947 349 D HN 0.467 nan 8.370 nan 0.000 0.509 350 N N -0.872 117.903 118.700 0.125 0.000 2.831 350 N HA 0.094 4.839 4.740 0.009 0.000 0.276 350 N C 0.472 176.040 175.510 0.097 0.000 1.416 350 N CA -0.497 52.597 53.050 0.075 0.000 0.799 350 N CB 0.961 39.451 38.487 0.005 0.000 1.554 350 N HN -0.447 nan 8.380 nan 0.000 0.541 351 E N -0.328 119.856 120.200 -0.027 0.000 2.472 351 E HA -0.016 4.339 4.350 0.009 0.000 0.200 351 E C -0.346 175.886 176.600 -0.613 0.000 1.046 351 E CA 0.552 56.854 56.400 -0.164 0.000 0.871 351 E CB -0.727 28.907 29.700 -0.112 0.000 0.806 351 E HN 0.609 nan 8.360 nan 0.000 0.533 352 S N -0.117 115.271 115.700 -0.520 0.000 3.614 352 S HA -0.202 4.273 4.470 0.009 0.000 0.360 352 S C 0.287 174.479 174.600 -0.680 0.000 1.023 352 S CA 0.156 57.924 58.200 -0.720 0.000 1.114 352 S CB -1.911 60.606 63.200 -1.139 0.000 0.907 352 S HN 0.293 nan 8.310 nan 0.000 0.470 353 L N 1.857 122.822 121.223 -0.430 0.000 2.515 353 L HA 0.326 4.671 4.340 0.009 0.000 0.281 353 L C 0.884 177.565 176.870 -0.315 0.000 1.131 353 L CA -0.074 54.570 54.840 -0.327 0.000 0.905 353 L CB -0.188 41.741 42.059 -0.217 0.000 1.246 353 L HN 0.448 nan 8.230 nan 0.000 0.463 354 I N 0.198 120.563 120.570 -0.342 0.000 3.062 354 I HA 0.627 4.802 4.170 0.009 0.000 0.318 354 I C 0.626 176.660 176.117 -0.138 0.000 1.026 354 I CA -0.593 60.541 61.300 -0.276 0.000 1.096 354 I CB 1.589 39.386 38.000 -0.338 0.000 1.348 354 I HN 0.497 nan 8.210 nan 0.000 0.543 355 S N 1.292 116.948 115.700 -0.074 0.000 2.690 355 S HA 0.441 4.916 4.470 0.009 0.000 0.291 355 S C 0.823 175.445 174.600 0.037 0.000 1.138 355 S CA -0.716 57.468 58.200 -0.026 0.000 1.013 355 S CB 1.830 65.021 63.200 -0.015 0.000 1.053 355 S HN 0.819 nan 8.310 nan 0.000 0.539 356 R N 0.488 121.010 120.500 0.036 0.000 2.091 356 R HA -0.128 4.217 4.340 0.009 0.000 0.238 356 R C 2.369 178.763 176.300 0.158 0.000 1.136 356 R CA 1.755 57.913 56.100 0.097 0.000 0.959 356 R CB -1.105 29.227 30.300 0.054 0.000 0.856 356 R HN 0.858 nan 8.270 nan 0.000 0.437 357 A N 0.428 123.305 122.820 0.096 0.000 1.908 357 A HA -0.239 4.086 4.320 0.009 0.000 0.218 357 A C 2.036 179.680 177.584 0.101 0.000 1.181 357 A CA 1.621 53.710 52.037 0.086 0.000 0.627 357 A CB -0.516 18.517 19.000 0.054 0.000 0.818 357 A HN 0.502 nan 8.150 nan 0.000 0.445 358 Q N -2.040 117.822 119.800 0.102 0.000 2.167 358 Q HA -0.115 4.231 4.340 0.009 0.000 0.202 358 Q C 1.837 177.962 176.000 0.209 0.000 0.970 358 Q CA 1.458 57.332 55.803 0.118 0.000 0.855 358 Q CB -0.240 28.529 28.738 0.053 0.000 0.911 358 Q HN 0.813 nan 8.270 nan 0.000 0.438 359 F N 0.808 120.799 119.950 0.069 0.000 2.098 359 F HA -0.158 4.374 4.527 0.008 0.000 0.294 359 F C 1.699 177.548 175.800 0.081 0.000 1.107 359 F CA 1.008 59.065 58.000 0.094 0.000 1.234 359 F CB 0.062 39.099 39.000 0.062 0.000 1.002 359 F HN -0.058 nan 8.300 nan 0.000 0.472 360 L N 0.342 121.567 121.223 0.003 0.000 2.046 360 L HA -0.201 4.145 4.340 0.009 0.000 0.208 360 L C 2.846 179.661 176.870 -0.092 0.000 1.077 360 L CA 1.125 55.900 54.840 -0.109 0.000 0.747 360 L CB -1.488 40.587 42.059 0.026 0.000 0.896 360 L HN 0.257 nan 8.230 nan 0.000 0.432 361 A N 0.736 123.550 122.820 -0.010 0.000 1.902 361 A HA -0.130 4.195 4.320 0.009 0.000 0.217 361 A C 2.448 180.032 177.584 -0.001 0.000 1.181 361 A CA 1.831 53.875 52.037 0.011 0.000 0.623 361 A CB -1.308 17.723 19.000 0.051 0.000 0.818 361 A HN 0.442 nan 8.150 nan 0.000 0.443 362 G N -0.767 108.038 108.800 0.008 0.000 2.422 362 G HA2 -0.082 3.884 3.960 0.009 0.000 0.218 362 G HA3 -0.082 3.884 3.960 0.009 0.000 0.218 362 G C 1.491 176.329 174.900 -0.103 0.000 1.146 362 G CA 1.153 46.259 45.100 0.009 0.000 0.769 362 G HN 0.315 nan 8.290 nan 0.000 0.547 363 V N 0.977 120.743 119.914 -0.247 0.000 2.343 363 V HA -0.138 3.987 4.120 0.009 0.000 0.247 363 V C 3.001 179.024 176.094 -0.120 0.000 1.051 363 V CA 1.646 63.794 62.300 -0.253 0.000 1.036 363 V CB -0.368 31.219 31.823 -0.393 0.000 0.654 363 V HN 0.217 nan 8.190 nan 0.000 0.451 364 R N -0.051 120.396 120.500 -0.088 0.000 2.105 364 R HA -0.045 4.300 4.340 0.009 0.000 0.239 364 R C 2.048 178.328 176.300 -0.033 0.000 1.135 364 R CA 1.512 57.585 56.100 -0.046 0.000 0.967 364 R CB -0.942 29.341 30.300 -0.028 0.000 0.861 364 R HN 0.473 nan 8.270 nan 0.000 0.442 365 I N -0.389 120.166 120.570 -0.025 0.000 2.353 365 I HA -0.091 4.085 4.170 0.009 0.000 0.248 365 I C 2.211 178.318 176.117 -0.017 0.000 1.119 365 I CA 1.382 62.677 61.300 -0.008 0.000 1.417 365 I CB -0.439 37.573 38.000 0.021 0.000 1.078 365 I HN 0.211 nan 8.210 nan 0.000 0.421 366 G N 0.272 109.052 108.800 -0.034 0.000 2.511 366 G HA2 0.019 3.984 3.960 0.009 0.000 0.217 366 G HA3 0.019 3.984 3.960 0.009 0.000 0.217 366 G C 0.696 175.578 174.900 -0.031 0.000 1.133 366 G CA 0.299 45.377 45.100 -0.036 0.000 0.792 366 G HN 0.216 nan 8.290 nan 0.000 0.539 367 V N 1.261 121.147 119.914 -0.047 0.000 2.383 367 V HA 0.234 4.359 4.120 0.009 0.000 0.264 367 V C -1.871 174.206 176.094 -0.029 0.000 1.001 367 V CA -1.123 61.136 62.300 -0.069 0.000 0.828 367 V CB 1.818 33.596 31.823 -0.074 0.000 1.069 367 V HN -0.022 nan 8.190 nan 0.000 0.451 368 P HA -0.082 nan 4.420 nan 0.000 0.213 368 P C 1.333 178.618 177.300 -0.024 0.000 1.169 368 P CA 1.225 64.313 63.100 -0.020 0.000 0.885 368 P CB 0.385 32.069 31.700 -0.026 0.000 0.779 369 Q N -2.897 116.890 119.800 -0.021 0.000 3.303 369 Q HA -0.264 4.082 4.340 0.009 0.000 0.206 369 Q C -0.132 175.857 176.000 -0.019 0.000 2.771 369 Q CA 1.179 56.976 55.803 -0.010 0.000 0.261 369 Q CB -2.082 26.669 28.738 0.021 0.000 0.203 369 Q HN 0.247 nan 8.270 nan 0.000 0.468 370 A N 1.591 124.398 122.820 -0.021 0.000 2.290 370 A HA 0.605 4.931 4.320 0.009 0.000 0.310 370 A C 0.338 177.908 177.584 -0.023 0.000 1.202 370 A CA 0.239 52.261 52.037 -0.025 0.000 0.837 370 A CB 1.000 19.988 19.000 -0.019 0.000 1.139 370 A HN 0.673 nan 8.150 nan 0.000 0.509 371 S N 1.937 117.621 115.700 -0.028 0.000 2.592 371 S HA 0.003 4.479 4.470 0.009 0.000 0.256 371 S C 0.437 175.032 174.600 -0.009 0.000 1.369 371 S CA 0.601 58.789 58.200 -0.021 0.000 0.984 371 S CB 0.203 63.386 63.200 -0.028 0.000 0.919 371 S HN 0.627 nan 8.310 nan 0.000 0.576 372 D N -0.037 120.362 120.400 -0.002 0.000 2.144 372 D HA -0.047 4.599 4.640 0.009 0.000 0.199 372 D C 1.714 178.027 176.300 0.022 0.000 0.984 372 D CA 0.823 54.829 54.000 0.009 0.000 0.834 372 D CB -0.414 40.392 40.800 0.011 0.000 0.955 372 D HN 0.404 nan 8.370 nan 0.000 0.465 373 L N 0.573 121.807 121.223 0.018 0.000 2.017 373 L HA -0.050 4.295 4.340 0.009 0.000 0.208 373 L C 2.102 179.004 176.870 0.053 0.000 1.073 373 L CA 1.649 56.510 54.840 0.036 0.000 0.745 373 L CB -0.771 41.302 42.059 0.022 0.000 0.894 373 L HN -0.004 nan 8.230 nan 0.000 0.432 374 A N -0.877 121.957 122.820 0.024 0.000 1.930 374 A HA -0.085 4.241 4.320 0.009 0.000 0.217 374 A C 2.423 180.051 177.584 0.072 0.000 1.175 374 A CA 1.614 53.671 52.037 0.033 0.000 0.627 374 A CB -1.031 17.950 19.000 -0.033 0.000 0.815 374 A HN 0.516 nan 8.150 nan 0.000 0.443 375 A N -0.222 122.624 122.820 0.042 0.000 1.902 375 A HA -0.149 4.176 4.320 0.009 0.000 0.217 375 A C 1.963 179.585 177.584 0.064 0.000 1.181 375 A CA 2.119 54.177 52.037 0.035 0.000 0.623 375 A CB -0.463 18.542 19.000 0.008 0.000 0.818 375 A HN 0.535 nan 8.150 nan 0.000 0.443 376 E N 0.346 120.594 120.200 0.079 0.000 2.077 376 E HA -0.077 4.278 4.350 0.009 0.000 0.193 376 E C 2.012 178.696 176.600 0.140 0.000 0.989 376 E CA 1.602 58.067 56.400 0.108 0.000 0.800 376 E CB -0.486 29.272 29.700 0.096 0.000 0.746 376 E HN 0.468 nan 8.360 nan 0.000 0.452 377 A N 0.080 122.993 122.820 0.155 0.000 1.883 377 A HA -0.176 4.149 4.320 0.009 0.000 0.217 377 A C 2.512 180.127 177.584 0.051 0.000 1.186 377 A CA 1.870 54.015 52.037 0.181 0.000 0.624 377 A CB -0.942 18.292 19.000 0.389 0.000 0.822 377 A HN 0.197 nan 8.150 nan 0.000 0.444 378 V N -0.400 119.568 119.914 0.089 0.000 2.255 378 V HA -0.261 3.864 4.120 0.009 0.000 0.247 378 V C 2.568 178.807 176.094 0.242 0.000 1.051 378 V CA 2.062 64.396 62.300 0.056 0.000 1.018 378 V CB -1.036 30.849 31.823 0.103 0.000 0.641 378 V HN 0.365 nan 8.190 nan 0.000 0.445 379 V N -0.144 119.890 119.914 0.199 0.000 2.282 379 V HA -0.301 3.824 4.120 0.009 0.000 0.249 379 V C 2.336 178.659 176.094 0.381 0.000 1.057 379 V CA 2.210 64.698 62.300 0.315 0.000 1.032 379 V CB -0.568 31.387 31.823 0.219 0.000 0.645 379 V HN 0.444 nan 8.190 nan 0.000 0.447 380 L N -0.892 120.538 121.223 0.344 0.000 2.056 380 L HA -0.199 4.146 4.340 0.009 0.000 0.207 380 L C 2.538 179.650 176.870 0.403 0.000 1.078 380 L CA 2.177 57.310 54.840 0.488 0.000 0.749 380 L CB -0.844 41.400 42.059 0.307 0.000 0.901 380 L HN 0.454 nan 8.230 nan 0.000 0.433 381 H N -0.957 118.143 119.070 0.050 0.000 2.423 381 H HA -0.174 4.387 4.556 0.008 0.000 0.297 381 H C 1.628 176.849 175.328 -0.178 0.000 1.075 381 H CA 1.732 57.674 56.048 -0.178 0.000 1.342 381 H CB 0.135 29.531 29.762 -0.609 0.000 1.395 381 H HN 0.238 nan 8.280 nan 0.000 0.530 382 Y N -0.427 119.957 120.300 0.141 0.000 2.462 382 Y HA 0.161 4.718 4.550 0.010 0.000 0.261 382 Y C 0.659 176.529 175.900 -0.050 0.000 1.146 382 Y CA 0.119 58.300 58.100 0.135 0.000 1.283 382 Y CB 0.439 39.114 38.460 0.357 0.000 1.090 382 Y HN 0.013 nan 8.280 nan 0.000 0.526 383 T N 1.158 115.672 114.554 -0.067 0.000 2.907 383 T HA 0.016 4.371 4.350 0.009 0.000 0.298 383 T C -0.412 173.899 174.700 -0.649 0.000 1.017 383 T CA -0.401 61.373 62.100 -0.543 0.000 1.118 383 T CB 0.534 68.735 68.868 -1.112 0.000 0.948 383 T HN 0.050 nan 8.240 nan 0.000 0.531 384 D N 1.566 121.611 120.400 -0.592 0.000 2.347 384 D HA 0.124 4.769 4.640 0.009 0.000 0.235 384 D C -0.092 175.917 176.300 -0.486 0.000 1.149 384 D CA -0.817 52.914 54.000 -0.449 0.000 0.850 384 D CB 0.483 41.008 40.800 -0.458 0.000 1.061 384 D HN 0.583 nan 8.370 nan 0.000 0.487 385 W N 3.136 124.359 121.300 -0.128 0.000 2.937 385 W HA 0.139 4.803 4.660 0.007 0.000 0.245 385 W C 1.835 178.268 176.519 -0.144 0.000 1.306 385 W CA -0.249 57.030 57.345 -0.109 0.000 1.470 385 W CB -0.008 29.397 29.460 -0.092 0.000 1.132 385 W HN 0.413 nan 8.180 nan 0.000 0.675 386 L N -1.188 119.980 121.223 -0.091 0.000 2.179 386 L HA -0.041 4.305 4.340 0.009 0.000 0.208 386 L C 0.219 176.760 176.870 -0.549 0.000 1.096 386 L CA 1.098 55.746 54.840 -0.320 0.000 0.779 386 L CB -0.245 41.562 42.059 -0.420 0.000 0.922 386 L HN 0.011 nan 8.230 nan 0.000 0.443 387 H N -1.502 117.524 119.070 -0.073 0.000 2.439 387 H HA 0.152 4.713 4.556 0.008 0.000 0.228 387 H C -1.878 173.374 175.328 -0.127 0.000 1.423 387 H CA -1.196 54.823 56.048 -0.048 0.000 1.386 387 H CB 0.394 30.185 29.762 0.048 0.000 1.641 387 H HN -0.041 nan 8.280 nan 0.000 0.508 388 P HA -0.088 nan 4.420 nan 0.000 0.237 388 P C 0.642 177.837 177.300 -0.174 0.000 1.178 388 P CA 0.950 63.893 63.100 -0.262 0.000 0.766 388 P CB 0.716 32.249 31.700 -0.278 0.000 0.876 389 E N -0.325 119.835 120.200 -0.068 0.000 2.526 389 E HA 0.046 4.401 4.350 0.009 0.000 0.208 389 E C -0.126 176.448 176.600 -0.043 0.000 0.997 389 E CA -0.057 56.313 56.400 -0.049 0.000 0.961 389 E CB 0.111 29.803 29.700 -0.014 0.000 1.030 389 E HN 0.299 nan 8.360 nan 0.000 0.483 390 D N 2.022 122.414 120.400 -0.014 0.000 2.358 390 D HA 0.017 4.663 4.640 0.009 0.000 0.258 390 D C -1.687 174.570 176.300 -0.072 0.000 1.223 390 D CA -1.700 52.291 54.000 -0.016 0.000 0.886 390 D CB 1.485 42.325 40.800 0.067 0.000 1.120 390 D HN -0.196 nan 8.370 nan 0.000 0.482 391 P HA -0.117 nan 4.420 nan 0.000 0.217 391 P C 1.106 178.312 177.300 -0.156 0.000 1.150 391 P CA 0.981 64.000 63.100 -0.135 0.000 0.832 391 P CB 0.227 31.843 31.700 -0.140 0.000 0.787 392 T N -1.674 112.774 114.554 -0.176 0.000 2.674 392 T HA -0.178 4.178 4.350 0.009 0.000 0.265 392 T C 1.538 176.154 174.700 -0.141 0.000 1.039 392 T CA 1.528 63.513 62.100 -0.192 0.000 1.150 392 T CB -1.150 67.564 68.868 -0.256 0.000 0.864 392 T HN 0.310 nan 8.240 nan 0.000 0.427 393 H N 0.544 119.557 119.070 -0.095 0.000 2.352 393 H HA 0.039 4.600 4.556 0.008 0.000 0.299 393 H C 2.244 177.488 175.328 -0.140 0.000 1.097 393 H CA 1.102 57.094 56.048 -0.093 0.000 1.311 393 H CB -0.242 29.453 29.762 -0.112 0.000 1.377 393 H HN 0.176 nan 8.280 nan 0.000 0.504 394 L N 0.249 121.414 121.223 -0.096 0.000 2.046 394 L HA -0.193 4.152 4.340 0.009 0.000 0.208 394 L C 2.772 179.628 176.870 -0.024 0.000 1.077 394 L CA 1.051 55.730 54.840 -0.268 0.000 0.747 394 L CB -0.358 41.536 42.059 -0.275 0.000 0.896 394 L HN 0.279 nan 8.230 nan 0.000 0.432 395 R N 0.545 121.046 120.500 0.002 0.000 2.081 395 R HA -0.180 4.165 4.340 0.009 0.000 0.235 395 R C 1.584 178.035 176.300 0.252 0.000 1.131 395 R CA 2.055 58.221 56.100 0.110 0.000 0.960 395 R CB -0.351 29.863 30.300 -0.144 0.000 0.856 395 R HN 0.358 nan 8.270 nan 0.000 0.436 396 D N 0.307 120.818 120.400 0.185 0.000 2.183 396 D HA -0.045 4.600 4.640 0.009 0.000 0.203 396 D C 1.702 178.161 176.300 0.265 0.000 0.969 396 D CA 1.240 55.387 54.000 0.244 0.000 0.842 396 D CB -0.128 40.798 40.800 0.210 0.000 0.957 396 D HN 0.354 nan 8.370 nan 0.000 0.484 397 A N 0.766 123.726 122.820 0.233 0.000 1.898 397 A HA -0.136 4.189 4.320 0.009 0.000 0.216 397 A C 2.123 179.931 177.584 0.374 0.000 1.181 397 A CA 1.290 53.518 52.037 0.318 0.000 0.620 397 A CB -0.463 18.640 19.000 0.171 0.000 0.819 397 A HN 0.095 nan 8.150 nan 0.000 0.442 398 M N 0.275 120.156 119.600 0.469 0.000 2.082 398 M HA -0.148 4.338 4.480 0.009 0.000 0.258 398 M C 2.338 178.745 176.300 0.177 0.000 1.069 398 M CA 2.215 57.747 55.300 0.387 0.000 1.102 398 M CB -0.801 32.101 32.600 0.503 0.000 1.336 398 M HN 0.442 nan 8.290 nan 0.000 0.404 399 S N -0.485 115.351 115.700 0.226 0.000 2.353 399 S HA -0.140 4.336 4.470 0.009 0.000 0.222 399 S C 2.059 176.754 174.600 0.157 0.000 1.035 399 S CA 1.888 60.209 58.200 0.202 0.000 1.025 399 S CB -0.719 62.667 63.200 0.310 0.000 0.902 399 S HN 0.633 nan 8.310 nan 0.000 0.440 400 A N 0.828 123.769 122.820 0.203 0.000 1.908 400 A HA -0.024 4.301 4.320 0.009 0.000 0.218 400 A C 2.371 180.009 177.584 0.090 0.000 1.181 400 A CA 1.864 54.036 52.037 0.226 0.000 0.627 400 A CB -1.163 18.076 19.000 0.399 0.000 0.818 400 A HN 0.470 nan 8.150 nan 0.000 0.445 401 V N -0.396 119.442 119.914 -0.126 0.000 2.233 401 V HA -0.280 3.846 4.120 0.009 0.000 0.247 401 V C 2.598 178.568 176.094 -0.207 0.000 1.050 401 V CA 2.241 64.345 62.300 -0.327 0.000 1.010 401 V CB -0.895 30.740 31.823 -0.313 0.000 0.637 401 V HN 0.390 nan 8.190 nan 0.000 0.444 402 V N 0.705 120.541 119.914 -0.129 0.000 2.295 402 V HA -0.206 3.919 4.120 0.009 0.000 0.246 402 V C 2.623 178.579 176.094 -0.230 0.000 1.049 402 V CA 2.293 64.498 62.300 -0.158 0.000 1.024 402 V CB -1.487 30.294 31.823 -0.070 0.000 0.648 402 V HN 0.632 nan 8.190 nan 0.000 0.447 403 G N -0.345 108.396 108.800 -0.099 0.000 2.418 403 G HA2 -0.250 3.715 3.960 0.009 0.000 0.217 403 G HA3 -0.250 3.715 3.960 0.009 0.000 0.217 403 G C 1.215 176.030 174.900 -0.142 0.000 1.158 403 G CA 1.086 46.143 45.100 -0.071 0.000 0.771 403 G HN 0.516 nan 8.290 nan 0.000 0.545 404 D N -0.429 119.899 120.400 -0.120 0.000 2.117 404 D HA -0.073 4.572 4.640 0.009 0.000 0.197 404 D C 2.089 178.069 176.300 -0.533 0.000 0.987 404 D CA 1.276 55.175 54.000 -0.168 0.000 0.829 404 D CB -0.372 40.493 40.800 0.108 0.000 0.961 404 D HN 0.466 nan 8.370 nan 0.000 0.460 405 H N 0.396 118.887 119.070 -0.965 0.000 2.403 405 H HA 0.110 4.671 4.556 0.008 0.000 0.298 405 H C 1.408 176.329 175.328 -0.678 0.000 1.059 405 H CA 1.390 56.682 56.048 -1.261 0.000 1.363 405 H CB 0.109 28.961 29.762 -1.517 0.000 1.410 405 H HN -0.028 nan 8.280 nan 0.000 0.528 406 N N -0.683 117.545 118.700 -0.787 0.000 2.409 406 N HA 0.018 4.763 4.740 0.009 0.000 0.174 406 N C 0.977 176.216 175.510 -0.453 0.000 1.037 406 N CA 1.025 53.559 53.050 -0.860 0.000 0.898 406 N CB 1.257 38.689 38.487 -1.758 0.000 1.010 406 N HN 0.269 nan 8.380 nan 0.000 0.445 407 V N -0.578 119.133 119.914 -0.338 0.000 3.442 407 V HA 0.049 4.174 4.120 0.009 0.000 0.205 407 V C 2.132 178.174 176.094 -0.086 0.000 1.320 407 V CA 0.148 62.387 62.300 -0.101 0.000 1.306 407 V CB -0.097 31.739 31.823 0.021 0.000 1.267 407 V HN -0.195 nan 8.190 nan 0.000 0.538 408 V N 0.242 120.108 119.914 -0.081 0.000 2.287 408 V HA -0.319 3.806 4.120 0.009 0.000 0.248 408 V C 2.482 178.536 176.094 -0.067 0.000 1.053 408 V CA 2.744 65.015 62.300 -0.050 0.000 1.027 408 V CB -0.740 31.085 31.823 0.002 0.000 0.646 408 V HN 0.691 nan 8.190 nan 0.000 0.447 409 c N -0.638 117.913 118.600 -0.082 0.000 2.475 409 c HA 0.034 4.609 4.570 0.009 0.000 0.279 409 c C 0.492 174.546 174.090 -0.060 0.000 1.322 409 c CA 0.750 57.063 56.329 -0.028 0.000 1.734 409 c CB -1.729 40.810 42.510 0.048 0.000 2.005 409 c HN 0.471 nan 8.230 nan 0.000 0.495 410 P HA -0.052 nan 4.420 nan 0.000 0.218 410 P C 1.703 178.932 177.300 -0.118 0.000 1.149 410 P CA 1.261 64.282 63.100 -0.132 0.000 0.817 410 P CB -0.145 31.440 31.700 -0.192 0.000 0.785 411 V N 0.140 119.987 119.914 -0.113 0.000 2.427 411 V HA -0.224 3.901 4.120 0.009 0.000 0.248 411 V C 2.458 178.448 176.094 -0.173 0.000 1.051 411 V CA 2.096 64.314 62.300 -0.136 0.000 1.048 411 V CB -1.660 30.085 31.823 -0.131 0.000 0.666 411 V HN 0.093 nan 8.190 nan 0.000 0.456 412 A N 0.714 123.452 122.820 -0.137 0.000 1.908 412 A HA -0.319 4.006 4.320 0.009 0.000 0.218 412 A C 2.232 179.768 177.584 -0.081 0.000 1.181 412 A CA 2.272 54.236 52.037 -0.122 0.000 0.627 412 A CB -0.452 18.530 19.000 -0.030 0.000 0.818 412 A HN 0.775 nan 8.150 nan 0.000 0.445 413 Q N -1.185 118.584 119.800 -0.052 0.000 2.096 413 Q HA -0.005 4.340 4.340 0.009 0.000 0.197 413 Q C 1.964 177.924 176.000 -0.067 0.000 0.964 413 Q CA 1.117 56.901 55.803 -0.030 0.000 0.838 413 Q CB -0.656 28.076 28.738 -0.009 0.000 0.906 413 Q HN 0.365 nan 8.270 nan 0.000 0.444 414 L N 1.862 123.021 121.223 -0.107 0.000 2.011 414 L HA -0.313 4.032 4.340 0.009 0.000 0.225 414 L C 2.497 179.279 176.870 -0.145 0.000 1.084 414 L CA 2.560 57.318 54.840 -0.136 0.000 0.791 414 L CB -1.085 40.885 42.059 -0.149 0.000 0.898 414 L HN 0.371 nan 8.230 nan 0.000 0.440 415 A N -0.828 121.874 122.820 -0.197 0.000 1.841 415 A HA -0.163 4.162 4.320 0.009 0.000 0.216 415 A C 2.339 179.917 177.584 -0.010 0.000 1.199 415 A CA 2.009 53.889 52.037 -0.262 0.000 0.621 415 A CB -1.745 16.823 19.000 -0.719 0.000 0.835 415 A HN 0.574 nan 8.150 nan 0.000 0.445 416 G N -1.377 107.487 108.800 0.106 0.000 2.501 416 G HA2 -0.187 3.778 3.960 0.009 0.000 0.220 416 G HA3 -0.187 3.778 3.960 0.009 0.000 0.220 416 G C 1.641 176.631 174.900 0.149 0.000 1.114 416 G CA 1.484 46.770 45.100 0.311 0.000 0.757 416 G HN 0.534 nan 8.290 nan 0.000 0.559 417 R N -0.181 120.358 120.500 0.064 0.000 2.140 417 R HA 0.314 4.659 4.340 0.009 0.000 0.200 417 R C 2.426 178.747 176.300 0.034 0.000 1.069 417 R CA 0.370 56.497 56.100 0.045 0.000 1.088 417 R CB -0.810 29.497 30.300 0.011 0.000 1.012 417 R HN 0.276 nan 8.270 nan 0.000 0.500 418 L N 0.667 121.847 121.223 -0.071 0.000 2.043 418 L HA -0.117 4.228 4.340 0.009 0.000 0.212 418 L C 2.451 179.347 176.870 0.042 0.000 1.075 418 L CA 1.669 56.432 54.840 -0.128 0.000 0.752 418 L CB -0.745 41.146 42.059 -0.280 0.000 0.891 418 L HN 0.307 nan 8.230 nan 0.000 0.432 419 A N 0.083 122.947 122.820 0.074 0.000 1.933 419 A HA -0.104 4.221 4.320 0.009 0.000 0.218 419 A C 2.478 180.113 177.584 0.085 0.000 1.175 419 A CA 1.598 53.696 52.037 0.101 0.000 0.628 419 A CB -0.646 18.456 19.000 0.169 0.000 0.814 419 A HN 0.399 nan 8.150 nan 0.000 0.444 420 A N -1.519 121.355 122.820 0.090 0.000 2.168 420 A HA -0.007 4.318 4.320 0.009 0.000 0.215 420 A C 1.686 179.324 177.584 0.090 0.000 1.152 420 A CA 1.362 53.445 52.037 0.076 0.000 0.716 420 A CB -0.215 18.828 19.000 0.072 0.000 0.794 420 A HN 0.586 nan 8.150 nan 0.000 0.465 421 Q N -1.928 117.954 119.800 0.136 0.000 2.165 421 Q HA 0.390 4.735 4.340 0.009 0.000 0.245 421 Q C 0.714 176.820 176.000 0.177 0.000 0.841 421 Q CA 0.443 56.347 55.803 0.168 0.000 1.078 421 Q CB 0.793 29.691 28.738 0.267 0.000 1.169 421 Q HN 0.730 nan 8.270 nan 0.000 0.475 422 G N -0.456 108.423 108.800 0.131 0.000 2.184 422 G HA2 -0.216 3.749 3.960 0.009 0.000 0.206 422 G HA3 -0.216 3.749 3.960 0.009 0.000 0.206 422 G C 0.258 175.227 174.900 0.114 0.000 0.995 422 G CA -0.220 44.943 45.100 0.104 0.000 0.651 422 G HN 0.497 nan 8.290 nan 0.000 0.511 423 A N -0.032 122.870 122.820 0.137 0.000 2.351 423 A HA 0.758 5.083 4.320 0.009 0.000 0.257 423 A C 0.597 178.219 177.584 0.063 0.000 1.087 423 A CA 0.249 52.355 52.037 0.114 0.000 0.798 423 A CB 0.389 19.441 19.000 0.086 0.000 1.033 423 A HN 0.598 nan 8.150 nan 0.000 0.488 424 R N 0.981 121.519 120.500 0.063 0.000 2.221 424 R HA 0.521 4.867 4.340 0.009 0.000 0.327 424 R C -1.383 174.909 176.300 -0.013 0.000 1.033 424 R CA -0.082 56.019 56.100 0.001 0.000 0.887 424 R CB 0.632 30.969 30.300 0.063 0.000 1.057 424 R HN 0.493 nan 8.270 nan 0.000 0.455 425 V N 5.230 125.058 119.914 -0.145 0.000 2.735 425 V HA 0.431 4.556 4.120 0.009 0.000 0.310 425 V C -1.196 174.721 176.094 -0.295 0.000 1.061 425 V CA -0.828 61.412 62.300 -0.099 0.000 0.913 425 V CB 1.806 33.637 31.823 0.012 0.000 1.005 425 V HN 0.654 nan 8.190 nan 0.000 0.428 426 Y N 1.901 122.155 120.300 -0.076 0.000 2.391 426 Y HA 0.786 5.340 4.550 0.007 0.000 0.341 426 Y C 0.289 176.287 175.900 0.164 0.000 0.965 426 Y CA -0.533 57.525 58.100 -0.069 0.000 1.067 426 Y CB 2.233 40.267 38.460 -0.709 0.000 1.199 426 Y HN 0.772 nan 8.280 nan 0.000 0.450 427 A N 3.250 126.466 122.820 0.660 0.000 2.355 427 A HA 0.872 5.198 4.320 0.009 0.000 0.324 427 A C -1.809 176.175 177.584 0.666 0.000 1.117 427 A CA -0.688 51.607 52.037 0.431 0.000 0.785 427 A CB 0.918 20.007 19.000 0.148 0.000 1.254 427 A HN 0.746 nan 8.150 nan 0.000 0.453 428 Y N -0.514 120.036 120.300 0.418 0.000 2.562 428 Y HA 0.763 5.316 4.550 0.006 0.000 0.345 428 Y C -1.167 174.925 175.900 0.319 0.000 1.045 428 Y CA -1.564 56.742 58.100 0.343 0.000 1.028 428 Y CB 1.278 39.944 38.460 0.344 0.000 1.297 428 Y HN 0.671 nan 8.280 nan 0.000 0.463 429 I N 3.927 124.819 120.570 0.536 0.000 2.389 429 I HA 0.441 4.617 4.170 0.009 0.000 0.288 429 I C -1.642 174.819 176.117 0.574 0.000 0.999 429 I CA -1.007 60.571 61.300 0.464 0.000 1.129 429 I CB 0.798 39.014 38.000 0.360 0.000 1.288 429 I HN 0.744 nan 8.210 nan 0.000 0.444 430 F N 7.544 127.801 119.950 0.512 0.000 2.404 430 F HA 0.365 4.898 4.527 0.010 0.000 0.358 430 F C 0.652 176.617 175.800 0.276 0.000 1.120 430 F CA 0.083 58.315 58.000 0.387 0.000 1.144 430 F CB 0.798 40.040 39.000 0.402 0.000 1.133 430 F HN 0.556 nan 8.300 nan 0.000 0.495 431 E N 3.118 123.168 120.200 -0.251 0.000 2.562 431 E HA -0.025 4.330 4.350 0.009 0.000 0.214 431 E C -0.701 175.756 176.600 -0.238 0.000 0.979 431 E CA -0.143 56.183 56.400 -0.124 0.000 1.002 431 E CB 0.293 29.963 29.700 -0.050 0.000 1.048 431 E HN 0.570 nan 8.360 nan 0.000 0.488 432 H N 1.232 119.890 119.070 -0.685 0.000 2.517 432 H HA 0.258 4.818 4.556 0.008 0.000 0.317 432 H C -0.416 174.836 175.328 -0.128 0.000 1.080 432 H CA -0.494 55.244 56.048 -0.517 0.000 1.301 432 H CB 0.645 29.883 29.762 -0.874 0.000 1.425 432 H HN -0.162 nan 8.280 nan 0.000 0.471 433 R N 3.997 124.118 120.500 -0.632 0.000 2.254 433 R HA 0.521 4.866 4.340 0.009 0.000 0.318 433 R C -0.698 175.334 176.300 -0.447 0.000 1.031 433 R CA -0.664 55.252 56.100 -0.308 0.000 0.905 433 R CB 0.532 30.725 30.300 -0.179 0.000 1.050 433 R HN 0.796 nan 8.270 nan 0.000 0.456 434 A N 2.974 125.873 122.820 0.133 0.000 2.520 434 A HA 0.035 4.360 4.320 0.009 0.000 0.245 434 A C 1.321 179.021 177.584 0.192 0.000 1.072 434 A CA 0.419 52.740 52.037 0.473 0.000 0.761 434 A CB 0.420 19.783 19.000 0.605 0.000 1.004 434 A HN 1.024 nan 8.150 nan 0.000 0.499 435 S N 1.607 117.457 115.700 0.251 0.000 2.442 435 S HA -0.161 4.314 4.470 0.009 0.000 0.236 435 S C 1.369 175.959 174.600 -0.016 0.000 1.007 435 S CA 1.777 60.033 58.200 0.094 0.000 0.965 435 S CB -0.758 62.521 63.200 0.131 0.000 0.773 435 S HN 1.305 nan 8.310 nan 0.000 0.504 436 T N -0.990 113.515 114.554 -0.081 0.000 3.144 436 T HA 0.369 4.724 4.350 0.009 0.000 0.249 436 T C 0.288 174.897 174.700 -0.151 0.000 1.089 436 T CA -0.557 61.415 62.100 -0.214 0.000 0.989 436 T CB -0.389 68.177 68.868 -0.505 0.000 0.992 436 T HN 0.255 nan 8.240 nan 0.000 0.540 437 L N 3.720 124.896 121.223 -0.077 0.000 2.416 437 L HA 0.374 4.719 4.340 0.009 0.000 0.272 437 L C 1.414 178.216 176.870 -0.113 0.000 1.161 437 L CA 0.632 55.414 54.840 -0.097 0.000 0.845 437 L CB 1.142 43.159 42.059 -0.070 0.000 1.119 437 L HN 0.396 nan 8.230 nan 0.000 0.464 438 T N -0.826 113.617 114.554 -0.184 0.000 3.040 438 T HA 0.145 4.500 4.350 0.009 0.000 0.250 438 T C 0.336 175.000 174.700 -0.061 0.000 1.058 438 T CA -0.453 61.551 62.100 -0.160 0.000 0.988 438 T CB -0.348 68.355 68.868 -0.276 0.000 0.993 438 T HN 0.407 nan 8.240 nan 0.000 0.519 439 W N 3.321 124.616 121.300 -0.010 0.000 2.126 439 W HA 0.430 5.095 4.660 0.010 0.000 0.346 439 W C -1.962 174.474 176.519 -0.137 0.000 1.279 439 W CA -2.043 55.285 57.345 -0.028 0.000 1.259 439 W CB 0.126 29.497 29.460 -0.148 0.000 1.133 439 W HN -0.031 nan 8.180 nan 0.000 0.592 440 P HA 0.048 nan 4.420 nan 0.000 0.274 440 P C 0.552 177.796 177.300 -0.094 0.000 1.246 440 P CA -0.075 63.002 63.100 -0.038 0.000 0.795 440 P CB 0.807 32.496 31.700 -0.019 0.000 1.006 441 L N 0.010 121.232 121.223 -0.000 0.000 2.043 441 L HA -0.170 4.175 4.340 0.009 0.000 0.212 441 L C 2.669 179.568 176.870 0.048 0.000 1.075 441 L CA 1.731 56.586 54.840 0.025 0.000 0.752 441 L CB -1.052 41.047 42.059 0.067 0.000 0.891 441 L HN 0.606 nan 8.230 nan 0.000 0.432 442 W N -0.325 121.021 121.300 0.077 0.000 2.364 442 W HA -0.202 4.463 4.660 0.007 0.000 0.281 442 W C 1.781 178.365 176.519 0.109 0.000 1.219 442 W CA 0.730 58.126 57.345 0.086 0.000 1.220 442 W CB -0.826 28.686 29.460 0.087 0.000 1.127 442 W HN 0.198 nan 8.180 nan 0.000 0.556 443 M N 1.404 120.674 119.600 -0.551 0.000 2.630 443 M HA 0.091 4.577 4.480 0.009 0.000 0.254 443 M C 1.843 178.059 176.300 -0.141 0.000 1.092 443 M CA 1.476 56.448 55.300 -0.547 0.000 1.087 443 M CB -0.743 31.393 32.600 -0.773 0.000 1.453 443 M HN 0.228 nan 8.290 nan 0.000 0.509 444 G N 0.693 109.469 108.800 -0.040 0.000 2.591 444 G HA2 -0.301 3.664 3.960 0.009 0.000 0.298 444 G HA3 -0.301 3.664 3.960 0.009 0.000 0.298 444 G C -0.082 174.837 174.900 0.032 0.000 1.195 444 G CA -0.060 45.060 45.100 0.033 0.000 0.989 444 G HN 0.250 nan 8.290 nan 0.000 0.551 445 V N 3.754 123.730 119.914 0.102 0.000 2.259 445 V HA 0.470 4.596 4.120 0.009 0.000 0.267 445 V C -1.900 174.337 176.094 0.238 0.000 1.051 445 V CA -0.806 61.606 62.300 0.188 0.000 0.830 445 V CB 1.220 33.201 31.823 0.264 0.000 1.080 445 V HN 0.508 nan 8.190 nan 0.000 0.467 446 P HA 0.203 nan 4.420 nan 0.000 0.276 446 P C -0.193 177.342 177.300 0.393 0.000 1.244 446 P CA -0.583 62.647 63.100 0.215 0.000 0.801 446 P CB 0.368 32.060 31.700 -0.014 0.000 1.006 447 H N 1.211 120.390 119.070 0.181 0.000 3.232 447 H HA 0.140 4.700 4.556 0.008 0.000 0.276 447 H C 1.599 176.914 175.328 -0.022 0.000 0.882 447 H CA 2.482 58.602 56.048 0.122 0.000 1.415 447 H CB -0.914 28.913 29.762 0.108 0.000 1.405 447 H HN 0.758 nan 8.280 nan 0.000 0.543 448 G N 3.556 112.207 108.800 -0.248 0.000 2.213 448 G HA2 -0.300 3.666 3.960 0.009 0.000 0.226 448 G HA3 -0.300 3.666 3.960 0.009 0.000 0.226 448 G C 0.612 175.443 174.900 -0.115 0.000 0.992 448 G CA 0.243 45.157 45.100 -0.310 0.000 0.632 448 G HN 0.635 nan 8.290 nan 0.000 0.511 449 Y N 1.574 122.010 120.300 0.226 0.000 2.495 449 Y HA 0.256 4.810 4.550 0.008 0.000 0.293 449 Y C 2.277 178.337 175.900 0.267 0.000 1.186 449 Y CA 0.929 59.214 58.100 0.308 0.000 1.266 449 Y CB 0.436 39.103 38.460 0.346 0.000 1.101 449 Y HN 0.521 nan 8.280 nan 0.000 0.517 450 E N -0.104 120.110 120.200 0.023 0.000 2.340 450 E HA -0.037 4.319 4.350 0.009 0.000 0.198 450 E C 1.648 178.153 176.600 -0.158 0.000 0.961 450 E CA 0.497 56.578 56.400 -0.531 0.000 0.905 450 E CB -0.430 28.508 29.700 -1.270 0.000 0.884 450 E HN 0.528 nan 8.360 nan 0.000 0.491 451 I N 2.662 123.233 120.570 0.001 0.000 2.145 451 I HA -0.354 3.821 4.170 0.009 0.000 0.244 451 I C 2.471 178.606 176.117 0.030 0.000 1.075 451 I CA 2.396 63.745 61.300 0.081 0.000 1.332 451 I CB -0.542 37.565 38.000 0.178 0.000 1.033 451 I HN 0.194 nan 8.210 nan 0.000 0.410 452 E N 0.681 120.845 120.200 -0.061 0.000 2.209 452 E HA -0.228 4.127 4.350 0.009 0.000 0.196 452 E C 1.991 178.381 176.600 -0.349 0.000 0.993 452 E CA 1.455 57.718 56.400 -0.227 0.000 0.819 452 E CB -0.477 29.067 29.700 -0.259 0.000 0.745 452 E HN 0.464 nan 8.360 nan 0.000 0.477 453 F N 1.122 120.980 119.950 -0.154 0.000 2.187 453 F HA -0.025 4.509 4.527 0.012 0.000 0.295 453 F C 2.261 177.842 175.800 -0.366 0.000 1.091 453 F CA 0.483 58.336 58.000 -0.246 0.000 1.308 453 F CB -0.121 38.815 39.000 -0.107 0.000 1.030 453 F HN -0.046 nan 8.300 nan 0.000 0.487 454 I N -0.677 119.747 120.570 -0.244 0.000 2.208 454 I HA -0.298 3.877 4.170 0.009 0.000 0.245 454 I C 2.056 177.942 176.117 -0.385 0.000 1.097 454 I CA 1.782 62.775 61.300 -0.512 0.000 1.363 454 I CB -1.460 36.139 38.000 -0.668 0.000 1.051 454 I HN 0.092 nan 8.210 nan 0.000 0.413 455 F N 1.036 120.808 119.950 -0.297 0.000 2.802 455 F HA 0.208 4.741 4.527 0.009 0.000 0.300 455 F C 1.831 177.484 175.800 -0.245 0.000 1.168 455 F CA 0.761 58.627 58.000 -0.224 0.000 1.433 455 F CB -0.400 38.456 39.000 -0.240 0.000 1.115 455 F HN 0.298 nan 8.300 nan 0.000 0.582 456 G N 0.311 108.960 108.800 -0.251 0.000 2.198 456 G HA2 -0.308 3.657 3.960 0.009 0.000 0.257 456 G HA3 -0.308 3.657 3.960 0.009 0.000 0.257 456 G C 0.959 175.286 174.900 -0.954 0.000 1.042 456 G CA 0.307 45.137 45.100 -0.449 0.000 0.791 456 G HN 0.332 nan 8.290 nan 0.000 0.502 457 L N 0.245 120.948 121.223 -0.866 0.000 2.083 457 L HA 0.053 4.398 4.340 0.009 0.000 0.209 457 L C 0.382 176.712 176.870 -0.900 0.000 1.083 457 L CA 2.619 56.879 54.840 -0.967 0.000 0.752 457 L CB -0.812 40.935 42.059 -0.520 0.000 0.899 457 L HN 0.204 nan 8.230 nan 0.000 0.433 458 P HA -0.150 nan 4.420 nan 0.000 0.226 458 P C 1.517 178.548 177.300 -0.449 0.000 1.146 458 P CA 1.033 63.488 63.100 -1.075 0.000 0.773 458 P CB 0.026 31.103 31.700 -1.039 0.000 0.772 459 L N -1.490 119.437 121.223 -0.493 0.000 2.395 459 L HA 0.019 4.364 4.340 0.009 0.000 0.218 459 L C 1.010 177.803 176.870 -0.128 0.000 1.130 459 L CA 0.865 55.546 54.840 -0.265 0.000 0.826 459 L CB -0.700 41.229 42.059 -0.216 0.000 0.941 459 L HN -0.092 nan 8.230 nan 0.000 0.451 460 D N 0.160 120.450 120.400 -0.183 0.000 2.338 460 D HA 0.061 4.707 4.640 0.009 0.000 0.255 460 D C -1.609 174.713 176.300 0.037 0.000 1.237 460 D CA -1.881 52.140 54.000 0.035 0.000 0.883 460 D CB 1.528 42.385 40.800 0.094 0.000 1.087 460 D HN -0.032 nan 8.370 nan 0.000 0.485 461 P HA -0.128 nan 4.420 nan 0.000 0.218 461 P C 1.276 178.596 177.300 0.032 0.000 1.149 461 P CA 0.839 63.962 63.100 0.037 0.000 0.817 461 P CB 0.035 31.752 31.700 0.029 0.000 0.785 462 S N -0.991 114.726 115.700 0.028 0.000 2.547 462 S HA -0.050 4.425 4.470 0.009 0.000 0.235 462 S C 1.621 176.217 174.600 -0.007 0.000 0.980 462 S CA 0.633 58.838 58.200 0.008 0.000 0.941 462 S CB -1.393 61.812 63.200 0.008 0.000 0.763 462 S HN 0.105 nan 8.310 nan 0.000 0.532 463 L N 0.580 121.813 121.223 0.017 0.000 2.558 463 L HA 0.207 4.552 4.340 0.009 0.000 0.225 463 L C 0.350 177.148 176.870 -0.120 0.000 1.128 463 L CA -0.034 54.794 54.840 -0.020 0.000 0.868 463 L CB -0.575 41.542 42.059 0.098 0.000 1.006 463 L HN 0.265 nan 8.230 nan 0.000 0.454 464 N N -1.518 117.154 118.700 -0.047 0.000 2.776 464 N HA -0.224 4.522 4.740 0.009 0.000 0.250 464 N C -0.459 174.991 175.510 -0.099 0.000 1.112 464 N CA 0.818 53.819 53.050 -0.081 0.000 0.733 464 N CB -1.681 36.729 38.487 -0.128 0.000 1.097 464 N HN 0.276 nan 8.380 nan 0.000 0.558 465 Y N 1.026 121.307 120.300 -0.031 0.000 2.300 465 Y HA 0.206 4.761 4.550 0.009 0.000 0.328 465 Y C 1.996 177.913 175.900 0.028 0.000 1.270 465 Y CA 0.260 58.363 58.100 0.004 0.000 1.352 465 Y CB 0.547 38.996 38.460 -0.019 0.000 1.286 465 Y HN 0.082 nan 8.280 nan 0.000 0.536 466 T N -2.642 112.057 114.554 0.242 0.000 2.698 466 T HA 0.045 4.400 4.350 0.009 0.000 0.295 466 T C 1.139 175.919 174.700 0.132 0.000 1.007 466 T CA -0.175 62.015 62.100 0.149 0.000 0.980 466 T CB 0.679 69.627 68.868 0.134 0.000 1.036 466 T HN 0.697 nan 8.240 nan 0.000 0.526 467 T N 0.309 114.912 114.554 0.082 0.000 2.701 467 T HA 0.034 4.389 4.350 0.009 0.000 0.263 467 T C 1.017 175.747 174.700 0.051 0.000 1.040 467 T CA 1.513 63.648 62.100 0.058 0.000 1.147 467 T CB -0.675 68.216 68.868 0.038 0.000 0.865 467 T HN 0.911 nan 8.240 nan 0.000 0.426 468 E N -1.025 119.202 120.200 0.045 0.000 3.774 468 E HA -0.205 4.150 4.350 0.009 0.000 0.192 468 E C 1.458 178.089 176.600 0.053 0.000 1.099 468 E CA 1.208 57.628 56.400 0.033 0.000 2.333 468 E CB -1.272 28.453 29.700 0.041 0.000 1.735 468 E HN 0.410 nan 8.360 nan 0.000 0.433 469 E N 0.850 121.120 120.200 0.116 0.000 2.152 469 E HA -0.115 4.241 4.350 0.009 0.000 0.192 469 E C 2.081 178.808 176.600 0.211 0.000 0.983 469 E CA 0.879 57.425 56.400 0.243 0.000 0.818 469 E CB -0.029 29.932 29.700 0.434 0.000 0.758 469 E HN 0.167 nan 8.360 nan 0.000 0.467 470 R N 0.883 121.437 120.500 0.089 0.000 2.066 470 R HA -0.119 4.226 4.340 0.009 0.000 0.232 470 R C 2.265 178.571 176.300 0.010 0.000 1.131 470 R CA 1.069 57.167 56.100 -0.002 0.000 0.955 470 R CB -0.184 30.110 30.300 -0.010 0.000 0.851 470 R HN 0.118 nan 8.270 nan 0.000 0.432 471 I N 0.419 121.014 120.570 0.042 0.000 2.264 471 I HA -0.287 3.888 4.170 0.009 0.000 0.248 471 I C 2.163 178.318 176.117 0.064 0.000 1.111 471 I CA 1.073 62.393 61.300 0.034 0.000 1.382 471 I CB -0.307 37.714 38.000 0.036 0.000 1.060 471 I HN 0.182 nan 8.210 nan 0.000 0.418 472 F N 1.720 121.626 119.950 -0.073 0.000 2.102 472 F HA -0.217 4.314 4.527 0.007 0.000 0.298 472 F C 2.448 178.221 175.800 -0.045 0.000 1.105 472 F CA 1.321 59.265 58.000 -0.092 0.000 1.239 472 F CB -0.651 38.240 39.000 -0.181 0.000 0.991 472 F HN 0.023 nan 8.300 nan 0.000 0.474 473 A N 0.033 122.798 122.820 -0.093 0.000 1.940 473 A HA -0.247 4.079 4.320 0.009 0.000 0.219 473 A C 2.139 179.577 177.584 -0.244 0.000 1.176 473 A CA 1.865 53.779 52.037 -0.206 0.000 0.631 473 A CB -0.876 18.017 19.000 -0.179 0.000 0.814 473 A HN 0.625 nan 8.150 nan 0.000 0.446 474 Q N -0.979 118.718 119.800 -0.171 0.000 2.124 474 Q HA -0.163 4.182 4.340 0.009 0.000 0.202 474 Q C 2.382 178.256 176.000 -0.209 0.000 0.977 474 Q CA 1.457 57.168 55.803 -0.153 0.000 0.850 474 Q CB -0.180 28.501 28.738 -0.095 0.000 0.901 474 Q HN 0.627 nan 8.270 nan 0.000 0.429 475 R N 0.407 120.756 120.500 -0.253 0.000 2.073 475 R HA -0.114 4.231 4.340 0.009 0.000 0.234 475 R C 2.275 178.232 176.300 -0.572 0.000 1.134 475 R CA 1.168 57.022 56.100 -0.409 0.000 0.952 475 R CB -0.186 29.939 30.300 -0.291 0.000 0.850 475 R HN 0.235 nan 8.270 nan 0.000 0.433 476 L N -0.162 120.809 121.223 -0.421 0.000 2.056 476 L HA -0.177 4.168 4.340 0.009 0.000 0.207 476 L C 2.538 179.322 176.870 -0.144 0.000 1.078 476 L CA 1.274 55.966 54.840 -0.246 0.000 0.749 476 L CB -0.318 41.459 42.059 -0.469 0.000 0.901 476 L HN 0.251 nan 8.230 nan 0.000 0.433 477 M N -0.443 119.022 119.600 -0.226 0.000 2.108 477 M HA -0.252 4.233 4.480 0.009 0.000 0.261 477 M C 2.323 178.603 176.300 -0.033 0.000 1.066 477 M CA 1.716 56.929 55.300 -0.144 0.000 1.107 477 M CB -0.265 32.242 32.600 -0.155 0.000 1.356 477 M HN 0.014 nan 8.290 nan 0.000 0.406 478 K N -0.197 120.142 120.400 -0.101 0.000 2.002 478 K HA -0.160 4.165 4.320 0.009 0.000 0.209 478 K C 1.622 178.260 176.600 0.063 0.000 1.048 478 K CA 1.757 57.999 56.287 -0.075 0.000 0.930 478 K CB -0.334 32.058 32.500 -0.180 0.000 0.714 478 K HN 0.215 nan 8.250 nan 0.000 0.438 479 Y N -0.603 119.814 120.300 0.196 0.000 2.097 479 Y HA -0.268 4.289 4.550 0.012 0.000 0.282 479 Y C 2.331 178.370 175.900 0.230 0.000 1.152 479 Y CA 1.119 59.372 58.100 0.255 0.000 1.136 479 Y CB -0.965 37.787 38.460 0.486 0.000 0.975 479 Y HN 0.229 nan 8.280 nan 0.000 0.498 480 W N 0.691 122.058 121.300 0.111 0.000 2.333 480 W HA -0.259 4.405 4.660 0.007 0.000 0.316 480 W C 2.582 179.095 176.519 -0.009 0.000 1.215 480 W CA 2.382 59.736 57.345 0.014 0.000 1.278 480 W CB -0.706 28.695 29.460 -0.098 0.000 1.154 480 W HN 0.258 nan 8.180 nan 0.000 0.486 481 T N -2.131 112.525 114.554 0.169 0.000 2.904 481 T HA -0.139 4.216 4.350 0.009 0.000 0.267 481 T C 1.424 176.140 174.700 0.027 0.000 1.059 481 T CA 1.229 63.356 62.100 0.046 0.000 1.137 481 T CB -0.592 68.281 68.868 0.008 0.000 0.879 481 T HN -0.078 nan 8.240 nan 0.000 0.467 482 N N 0.993 119.729 118.700 0.060 0.000 2.104 482 N HA -0.031 4.714 4.740 0.009 0.000 0.190 482 N C 1.347 176.845 175.510 -0.020 0.000 1.024 482 N CA 1.109 54.175 53.050 0.026 0.000 0.853 482 N CB -0.715 37.812 38.487 0.066 0.000 1.008 482 N HN 0.490 nan 8.380 nan 0.000 0.424 483 F N 1.533 121.390 119.950 -0.155 0.000 2.134 483 F HA -0.080 4.453 4.527 0.009 0.000 0.299 483 F C 2.164 177.865 175.800 -0.164 0.000 1.097 483 F CA 1.318 59.176 58.000 -0.237 0.000 1.264 483 F CB -0.427 38.342 39.000 -0.384 0.000 1.001 483 F HN 0.037 nan 8.300 nan 0.000 0.479 484 A N 0.297 123.030 122.820 -0.146 0.000 1.902 484 A HA -0.186 4.139 4.320 0.009 0.000 0.217 484 A C 2.392 179.841 177.584 -0.225 0.000 1.181 484 A CA 1.736 53.658 52.037 -0.190 0.000 0.623 484 A CB -0.783 18.167 19.000 -0.083 0.000 0.818 484 A HN 0.440 nan 8.150 nan 0.000 0.443 485 R N -1.104 119.299 120.500 -0.161 0.000 2.073 485 R HA -0.090 4.256 4.340 0.009 0.000 0.229 485 R C 1.871 178.060 176.300 -0.185 0.000 1.120 485 R CA 1.905 57.923 56.100 -0.137 0.000 0.967 485 R CB -0.076 30.177 30.300 -0.077 0.000 0.862 485 R HN 0.681 nan 8.270 nan 0.000 0.436 486 T N -5.466 108.960 114.554 -0.214 0.000 3.058 486 T HA 0.233 4.588 4.350 0.009 0.000 0.278 486 T C 0.922 175.476 174.700 -0.243 0.000 0.974 486 T CA 0.385 62.372 62.100 -0.189 0.000 0.893 486 T CB 1.303 70.107 68.868 -0.107 0.000 1.138 486 T HN 0.327 nan 8.240 nan 0.000 0.529 487 G N 1.389 109.922 108.800 -0.445 0.000 2.153 487 G HA2 -0.162 3.803 3.960 0.009 0.000 0.252 487 G HA3 -0.162 3.803 3.960 0.009 0.000 0.252 487 G C -0.335 174.469 174.900 -0.161 0.000 0.994 487 G CA 0.249 45.028 45.100 -0.535 0.000 0.698 487 G HN 0.896 nan 8.290 nan 0.000 0.521 488 D N -1.151 119.166 120.400 -0.139 0.000 2.738 488 D HA 0.399 5.045 4.640 0.009 0.000 0.218 488 D C -1.269 174.888 176.300 -0.239 0.000 1.345 488 D CA -1.282 52.611 54.000 -0.179 0.000 0.943 488 D CB 1.648 42.428 40.800 -0.035 0.000 1.514 488 D HN -0.030 nan 8.370 nan 0.000 0.585 489 P HA -0.064 nan 4.420 nan 0.000 0.226 489 P C 0.026 177.339 177.300 0.022 0.000 1.153 489 P CA 0.187 63.124 63.100 -0.270 0.000 0.777 489 P CB 0.308 31.555 31.700 -0.755 0.000 0.794 490 N N 1.618 120.292 118.700 -0.042 0.000 2.479 490 N HA -0.009 4.736 4.740 0.009 0.000 0.257 490 N C 0.162 175.740 175.510 0.113 0.000 1.232 490 N CA 0.437 53.556 53.050 0.115 0.000 0.920 490 N CB 0.435 38.982 38.487 0.099 0.000 1.105 490 N HN 0.081 nan 8.380 nan 0.000 0.444 491 D N 2.659 123.147 120.400 0.146 0.000 2.338 491 D HA 0.054 4.700 4.640 0.009 0.000 0.255 491 D C -1.203 175.140 176.300 0.071 0.000 1.237 491 D CA -1.483 52.575 54.000 0.097 0.000 0.883 491 D CB 1.205 42.062 40.800 0.094 0.000 1.087 491 D HN 0.305 nan 8.370 nan 0.000 0.485 492 P HA -0.238 nan 4.420 nan 0.000 0.214 492 P C 1.382 178.707 177.300 0.041 0.000 1.169 492 P CA 1.653 64.777 63.100 0.040 0.000 0.908 492 P CB 0.155 31.869 31.700 0.024 0.000 0.791 493 R N 0.267 120.788 120.500 0.036 0.000 2.119 493 R HA -0.055 4.290 4.340 0.009 0.000 0.222 493 R C 1.341 177.664 176.300 0.039 0.000 1.088 493 R CA 1.345 57.465 56.100 0.033 0.000 0.984 493 R CB -1.905 28.411 30.300 0.026 0.000 0.884 493 R HN 0.229 nan 8.270 nan 0.000 0.447 494 D N 0.463 120.891 120.400 0.048 0.000 2.402 494 D HA 0.177 4.822 4.640 0.009 0.000 0.268 494 D C 1.289 177.624 176.300 0.058 0.000 1.294 494 D CA 0.730 54.762 54.000 0.053 0.000 0.945 494 D CB 0.817 41.656 40.800 0.066 0.000 1.112 494 D HN 0.446 nan 8.370 nan 0.000 0.517 495 S N 3.996 119.725 115.700 0.048 0.000 2.357 495 S HA -0.140 4.336 4.470 0.009 0.000 0.221 495 S C 2.033 176.664 174.600 0.052 0.000 1.031 495 S CA 1.901 60.129 58.200 0.047 0.000 0.982 495 S CB -0.309 62.913 63.200 0.038 0.000 0.853 495 S HN 0.541 nan 8.310 nan 0.000 0.458 496 K N 0.843 121.273 120.400 0.050 0.000 2.031 496 K HA 0.323 4.648 4.320 0.009 0.000 0.205 496 K C 1.424 178.062 176.600 0.062 0.000 1.049 496 K CA 0.922 57.239 56.287 0.050 0.000 0.939 496 K CB -1.167 31.357 32.500 0.041 0.000 0.717 496 K HN 0.375 nan 8.250 nan 0.000 0.438 497 S N 2.228 117.973 115.700 0.075 0.000 2.544 497 S HA 0.241 4.716 4.470 0.009 0.000 0.290 497 S C -2.321 172.347 174.600 0.114 0.000 1.276 497 S CA -0.947 57.312 58.200 0.099 0.000 1.075 497 S CB 0.634 63.907 63.200 0.121 0.000 0.849 497 S HN 0.409 nan 8.310 nan 0.000 0.494 498 P HA 0.095 nan 4.420 nan 0.000 0.268 498 P C -0.329 177.047 177.300 0.127 0.000 1.204 498 P CA -0.270 62.888 63.100 0.095 0.000 0.768 498 P CB 0.390 32.130 31.700 0.068 0.000 0.842 499 Q N 1.231 121.107 119.800 0.127 0.000 2.373 499 Q HA 0.088 4.433 4.340 0.009 0.000 0.255 499 Q C -0.568 175.569 176.000 0.227 0.000 0.980 499 Q CA 0.254 56.162 55.803 0.175 0.000 0.882 499 Q CB 0.757 29.589 28.738 0.157 0.000 1.249 499 Q HN 0.562 nan 8.270 nan 0.000 0.438 500 W N 6.506 127.839 121.300 0.056 0.000 2.311 500 W HA 0.310 4.976 4.660 0.010 0.000 0.317 500 W C -2.472 174.185 176.519 0.230 0.000 1.065 500 W CA -2.587 54.805 57.345 0.078 0.000 1.364 500 W CB 0.511 29.938 29.460 -0.054 0.000 1.233 500 W HN 0.387 nan 8.180 nan 0.000 0.409 501 P HA 0.284 nan 4.420 nan 0.000 0.281 501 P C -2.634 174.879 177.300 0.355 0.000 1.249 501 P CA -1.780 61.547 63.100 0.377 0.000 0.810 501 P CB 0.870 32.700 31.700 0.216 0.000 1.008 502 P HA 0.053 nan 4.420 nan 0.000 0.268 502 P C -0.546 176.743 177.300 -0.019 0.000 1.205 502 P CA 0.171 63.068 63.100 -0.338 0.000 0.771 502 P CB -0.003 31.478 31.700 -0.364 0.000 0.858 503 Y N 3.303 123.549 120.300 -0.089 0.000 2.465 503 Y HA 0.252 4.809 4.550 0.012 0.000 0.331 503 Y C 0.451 176.341 175.900 -0.017 0.000 1.102 503 Y CA 0.722 58.834 58.100 0.020 0.000 1.358 503 Y CB 0.092 38.583 38.460 0.052 0.000 1.213 503 Y HN 0.380 nan 8.280 nan 0.000 0.525 504 T N 0.231 114.510 114.554 -0.458 0.000 2.916 504 T HA 0.260 4.615 4.350 0.009 0.000 0.292 504 T C 0.943 175.351 174.700 -0.486 0.000 1.064 504 T CA -0.225 61.683 62.100 -0.320 0.000 1.011 504 T CB 1.355 70.124 68.868 -0.165 0.000 1.152 504 T HN 0.623 nan 8.240 nan 0.000 0.510 505 T N -1.195 113.225 114.554 -0.223 0.000 2.904 505 T HA 0.064 4.419 4.350 0.009 0.000 0.267 505 T C 2.259 176.881 174.700 -0.131 0.000 1.059 505 T CA 0.800 62.807 62.100 -0.156 0.000 1.137 505 T CB -0.764 68.085 68.868 -0.032 0.000 0.879 505 T HN 0.810 nan 8.240 nan 0.000 0.467 506 A N 1.556 124.312 122.820 -0.106 0.000 1.898 506 A HA 0.521 4.846 4.320 0.009 0.000 0.216 506 A C 2.596 180.136 177.584 -0.073 0.000 1.181 506 A CA 1.551 53.548 52.037 -0.066 0.000 0.620 506 A CB -0.986 17.988 19.000 -0.043 0.000 0.819 506 A HN 0.747 nan 8.150 nan 0.000 0.442 507 A N -2.320 120.433 122.820 -0.112 0.000 2.167 507 A HA 0.307 4.632 4.320 0.009 0.000 0.208 507 A C 0.900 178.424 177.584 -0.100 0.000 1.198 507 A CA 0.755 52.744 52.037 -0.079 0.000 0.863 507 A CB -0.135 18.833 19.000 -0.053 0.000 0.904 507 A HN 0.484 nan 8.150 nan 0.000 0.484 508 Q N 0.153 119.786 119.800 -0.279 0.000 2.434 508 Q HA -0.218 4.127 4.340 0.009 0.000 0.299 508 Q C -0.733 175.302 176.000 0.057 0.000 1.286 508 Q CA 0.714 56.300 55.803 -0.363 0.000 0.872 508 Q CB -1.708 26.999 28.738 -0.051 0.000 1.193 508 Q HN 0.824 nan 8.270 nan 0.000 0.466 509 Q N 0.260 120.092 119.800 0.054 0.000 2.299 509 Q HA 0.503 4.848 4.340 0.009 0.000 0.246 509 Q C -0.294 176.010 176.000 0.505 0.000 0.935 509 Q CA 0.060 55.998 55.803 0.225 0.000 0.887 509 Q CB 0.670 29.478 28.738 0.117 0.000 1.223 509 Q HN 0.348 nan 8.270 nan 0.000 0.439 510 Y N -2.204 118.233 120.300 0.229 0.000 2.705 510 Y HA 0.673 5.234 4.550 0.017 0.000 0.332 510 Y C -1.211 174.712 175.900 0.037 0.000 1.221 510 Y CA -1.507 56.729 58.100 0.227 0.000 1.059 510 Y CB 0.442 39.037 38.460 0.225 0.000 1.298 510 Y HN 0.356 nan 8.280 nan 0.000 0.459 511 V N -0.309 119.532 119.914 -0.123 0.000 2.815 511 V HA 0.850 4.975 4.120 0.009 0.000 0.314 511 V C -0.211 175.787 176.094 -0.161 0.000 1.064 511 V CA -0.536 61.528 62.300 -0.392 0.000 0.952 511 V CB 1.268 32.565 31.823 -0.878 0.000 1.020 511 V HN 1.212 nan 8.190 nan 0.000 0.439 512 S N 3.922 119.528 115.700 -0.158 0.000 2.513 512 S HA 0.684 5.159 4.470 0.009 0.000 0.276 512 S C -0.457 174.123 174.600 -0.034 0.000 1.254 512 S CA -0.643 57.547 58.200 -0.017 0.000 1.053 512 S CB 0.625 63.806 63.200 -0.031 0.000 0.958 512 S HN 0.758 nan 8.310 nan 0.000 0.491 513 L N 4.166 125.426 121.223 0.062 0.000 2.277 513 L HA 0.484 4.829 4.340 0.009 0.000 0.284 513 L C -0.240 176.619 176.870 -0.019 0.000 1.028 513 L CA -0.389 54.524 54.840 0.121 0.000 0.835 513 L CB 0.002 42.226 42.059 0.276 0.000 1.215 513 L HN 0.929 nan 8.230 nan 0.000 0.425 514 N N 2.038 120.685 118.700 -0.089 0.000 3.439 514 N HA 0.351 5.096 4.740 0.009 0.000 0.313 514 N C 0.241 175.324 175.510 -0.712 0.000 1.598 514 N CA -0.968 51.766 53.050 -0.527 0.000 0.830 514 N CB 0.659 38.945 38.487 -0.335 0.000 1.849 514 N HN 0.151 nan 8.380 nan 0.000 0.598 515 L N -0.840 119.924 121.223 -0.764 0.000 2.275 515 L HA 0.081 4.426 4.340 0.009 0.000 0.215 515 L C 0.639 177.366 176.870 -0.237 0.000 1.119 515 L CA 0.984 55.477 54.840 -0.578 0.000 0.790 515 L CB -0.426 41.363 42.059 -0.450 0.000 0.919 515 L HN 0.392 nan 8.230 nan 0.000 0.443 516 K N 0.079 120.376 120.400 -0.173 0.000 2.107 516 K HA 0.254 4.579 4.320 0.009 0.000 0.251 516 K C -2.138 174.444 176.600 -0.030 0.000 1.012 516 K CA -1.833 54.406 56.287 -0.079 0.000 0.920 516 K CB 0.164 32.623 32.500 -0.069 0.000 1.033 516 K HN -0.203 nan 8.250 nan 0.000 0.478 517 P HA 0.009 nan 4.420 nan 0.000 0.271 517 P C -0.470 176.844 177.300 0.023 0.000 1.233 517 P CA -0.222 62.903 63.100 0.042 0.000 0.789 517 P CB 0.380 32.103 31.700 0.038 0.000 0.951 518 L N 1.153 122.402 121.223 0.042 0.000 2.601 518 L HA -0.041 4.304 4.340 0.009 0.000 0.277 518 L C 1.118 177.950 176.870 -0.064 0.000 1.219 518 L CA 0.760 55.576 54.840 -0.040 0.000 0.915 518 L CB -0.375 41.639 42.059 -0.075 0.000 1.160 518 L HN 0.473 nan 8.230 nan 0.000 0.494 519 E N 3.451 123.589 120.200 -0.104 0.000 2.171 519 E HA 0.371 4.727 4.350 0.009 0.000 0.271 519 E C -1.307 175.190 176.600 -0.172 0.000 0.916 519 E CA -0.814 55.523 56.400 -0.105 0.000 0.774 519 E CB 1.867 31.516 29.700 -0.085 0.000 1.128 519 E HN 0.301 nan 8.360 nan 0.000 0.403 520 V N 5.784 125.610 119.914 -0.147 0.000 2.408 520 V HA 0.326 4.451 4.120 0.009 0.000 0.267 520 V C 0.392 176.343 176.094 -0.239 0.000 1.047 520 V CA -0.332 61.856 62.300 -0.188 0.000 0.937 520 V CB 0.676 32.449 31.823 -0.084 0.000 0.999 520 V HN 0.646 nan 8.190 nan 0.000 0.472 521 R N 4.460 124.675 120.500 -0.474 0.000 2.758 521 R HA 0.734 5.079 4.340 0.009 0.000 0.265 521 R C -0.663 175.441 176.300 -0.325 0.000 1.016 521 R CA -0.991 54.833 56.100 -0.461 0.000 1.040 521 R CB 2.013 31.914 30.300 -0.665 0.000 1.152 521 R HN 0.556 nan 8.270 nan 0.000 0.503 522 R N -0.226 120.270 120.500 -0.006 0.000 2.599 522 R HA 0.435 4.780 4.340 0.009 0.000 0.295 522 R C -0.579 175.930 176.300 0.347 0.000 0.963 522 R CA -0.369 55.836 56.100 0.176 0.000 0.883 522 R CB 2.160 32.512 30.300 0.086 0.000 1.171 522 R HN 0.928 nan 8.270 nan 0.000 0.450 523 G N 2.576 111.615 108.800 0.398 0.000 3.450 523 G HA2 -0.237 3.729 3.960 0.009 0.000 0.668 523 G HA3 -0.237 3.729 3.960 0.009 0.000 0.668 523 G C -0.645 174.406 174.900 0.252 0.000 0.941 523 G CA -0.860 44.417 45.100 0.296 0.000 0.766 523 G HN 0.528 nan 8.290 nan 0.000 0.451 524 L N 4.126 125.394 121.223 0.074 0.000 2.401 524 L HA 0.322 4.667 4.340 0.009 0.000 0.283 524 L C 1.560 178.428 176.870 -0.003 0.000 1.151 524 L CA -0.812 53.926 54.840 -0.169 0.000 0.942 524 L CB 0.164 42.059 42.059 -0.272 0.000 1.283 524 L HN 0.719 nan 8.230 nan 0.000 0.442 525 R N 2.281 122.813 120.500 0.053 0.000 3.184 525 R HA -0.284 4.061 4.340 0.009 0.000 0.242 525 R C 1.242 177.627 176.300 0.141 0.000 0.907 525 R CA 0.561 56.733 56.100 0.119 0.000 0.618 525 R CB -1.662 28.722 30.300 0.140 0.000 1.016 525 R HN 0.829 nan 8.270 nan 0.000 0.469 526 A N 0.629 123.530 122.820 0.134 0.000 1.865 526 A HA -0.287 4.038 4.320 0.009 0.000 0.217 526 A C 2.068 179.738 177.584 0.144 0.000 1.191 526 A CA 1.796 53.914 52.037 0.136 0.000 0.623 526 A CB -0.203 18.872 19.000 0.125 0.000 0.826 526 A HN 0.466 nan 8.150 nan 0.000 0.444 527 Q N -0.923 118.959 119.800 0.137 0.000 2.079 527 Q HA -0.084 4.262 4.340 0.009 0.000 0.200 527 Q C 2.197 178.320 176.000 0.204 0.000 0.974 527 Q CA 2.302 58.189 55.803 0.139 0.000 0.840 527 Q CB -0.641 28.156 28.738 0.099 0.000 0.898 527 Q HN 0.640 nan 8.270 nan 0.000 0.430 528 T N -0.994 113.708 114.554 0.246 0.000 2.821 528 T HA -0.111 4.244 4.350 0.009 0.000 0.267 528 T C 1.789 176.741 174.700 0.421 0.000 1.046 528 T CA 1.233 63.551 62.100 0.362 0.000 1.139 528 T CB -0.372 68.727 68.868 0.385 0.000 0.871 528 T HN 0.354 nan 8.240 nan 0.000 0.454 529 c N 1.672 120.480 118.600 0.347 0.000 2.448 529 c HA 0.283 4.859 4.570 0.009 0.000 0.280 529 c C 3.090 177.337 174.090 0.262 0.000 1.398 529 c CA -0.087 56.450 56.329 0.345 0.000 1.774 529 c CB -1.414 41.229 42.510 0.222 0.000 1.888 529 c HN 0.630 nan 8.230 nan 0.000 0.519 530 A N 0.147 123.094 122.820 0.211 0.000 1.972 530 A HA -0.161 4.165 4.320 0.009 0.000 0.219 530 A C 1.821 179.500 177.584 0.158 0.000 1.169 530 A CA 1.382 53.516 52.037 0.160 0.000 0.635 530 A CB -0.686 18.395 19.000 0.135 0.000 0.810 530 A HN 0.553 nan 8.150 nan 0.000 0.446 531 F N -0.716 119.230 119.950 -0.005 0.000 2.051 531 F HA -0.154 4.378 4.527 0.007 0.000 0.296 531 F C 1.945 177.687 175.800 -0.098 0.000 1.122 531 F CA 1.832 59.734 58.000 -0.163 0.000 1.201 531 F CB -0.599 38.032 39.000 -0.616 0.000 0.978 531 F HN 0.361 nan 8.300 nan 0.000 0.472 532 W N 0.692 121.952 121.300 -0.065 0.000 2.402 532 W HA -0.109 4.555 4.660 0.006 0.000 0.286 532 W C 2.145 178.595 176.519 -0.115 0.000 1.221 532 W CA 0.920 58.180 57.345 -0.141 0.000 1.257 532 W CB -0.541 28.986 29.460 0.112 0.000 1.120 532 W HN 0.011 nan 8.180 nan 0.000 0.551 533 N N -0.254 118.548 118.700 0.169 0.000 2.402 533 N HA 0.040 4.786 4.740 0.009 0.000 0.174 533 N C 1.518 177.047 175.510 0.031 0.000 1.027 533 N CA 0.912 54.015 53.050 0.089 0.000 0.891 533 N CB -0.224 38.321 38.487 0.096 0.000 1.016 533 N HN 0.250 nan 8.380 nan 0.000 0.439 534 R N -1.209 119.309 120.500 0.031 0.000 2.164 534 R HA 0.231 4.576 4.340 0.009 0.000 0.198 534 R C 1.434 177.749 176.300 0.025 0.000 1.028 534 R CA 0.057 56.177 56.100 0.034 0.000 1.083 534 R CB -0.108 30.235 30.300 0.072 0.000 1.026 534 R HN 0.031 nan 8.270 nan 0.000 0.514 535 F N 1.206 121.045 119.950 -0.185 0.000 2.188 535 F HA 0.075 4.607 4.527 0.009 0.000 0.289 535 F C 1.870 177.471 175.800 -0.331 0.000 1.082 535 F CA 0.583 58.446 58.000 -0.228 0.000 1.282 535 F CB -0.269 38.622 39.000 -0.182 0.000 1.060 535 F HN -0.134 nan 8.300 nan 0.000 0.493 536 L N 1.417 122.249 121.223 -0.653 0.000 2.013 536 L HA -0.099 4.246 4.340 0.009 0.000 0.212 536 L C -0.923 175.695 176.870 -0.420 0.000 1.073 536 L CA 2.142 56.574 54.840 -0.681 0.000 0.753 536 L CB -1.788 39.849 42.059 -0.704 0.000 0.890 536 L HN -0.010 nan 8.230 nan 0.000 0.432 537 P HA -0.219 nan 4.420 nan 0.000 0.215 537 P C 1.238 178.411 177.300 -0.212 0.000 1.157 537 P CA 1.845 64.838 63.100 -0.179 0.000 0.874 537 P CB -0.139 31.493 31.700 -0.113 0.000 0.790 538 K N -1.208 119.030 120.400 -0.269 0.000 2.148 538 K HA -0.082 4.243 4.320 0.009 0.000 0.204 538 K C 1.964 178.365 176.600 -0.332 0.000 1.050 538 K CA 0.877 57.011 56.287 -0.255 0.000 0.942 538 K CB -0.876 31.494 32.500 -0.215 0.000 0.724 538 K HN 0.102 nan 8.250 nan 0.000 0.446 539 L N 1.177 122.078 121.223 -0.537 0.000 2.093 539 L HA -0.085 4.260 4.340 0.009 0.000 0.208 539 L C 1.862 178.573 176.870 -0.264 0.000 1.085 539 L CA 1.325 55.876 54.840 -0.481 0.000 0.755 539 L CB -0.370 41.283 42.059 -0.676 0.000 0.904 539 L HN 0.001 nan 8.230 nan 0.000 0.435 540 L N -1.137 119.945 121.223 -0.235 0.000 2.201 540 L HA -0.082 4.263 4.340 0.009 0.000 0.212 540 L C 2.517 179.320 176.870 -0.112 0.000 1.105 540 L CA 1.273 56.027 54.840 -0.145 0.000 0.775 540 L CB -1.057 40.930 42.059 -0.121 0.000 0.913 540 L HN 0.200 nan 8.230 nan 0.000 0.440 541 S N -0.455 115.173 115.700 -0.122 0.000 2.351 541 S HA -0.061 4.414 4.470 0.009 0.000 0.220 541 S C 1.262 175.817 174.600 -0.076 0.000 1.035 541 S CA 0.980 59.126 58.200 -0.090 0.000 1.031 541 S CB -0.375 62.773 63.200 -0.088 0.000 0.928 541 S HN 0.485 nan 8.310 nan 0.000 0.433 542 A N 0.000 122.768 122.820 -0.086 0.000 2.254 542 A HA 0.000 4.325 4.320 0.009 0.000 0.244 542 A CA 0.000 51.999 52.037 -0.063 0.000 0.836 542 A CB 0.000 18.964 19.000 -0.061 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486