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 1e33_1_P DATA FIRST_RESID 19 DATA SEQUENCE RPPNIVLIFA DDLGYGDLGC YGHPSSTTPN LDQLAAGGLR FTDFYVPVSL DATA SEQUENCE XTPSRAALLT GRLPVRMGMY PGVLVPSSRG GLPLEEVTVA EVLAARGYLT DATA SEQUENCE GMAGKWHLGV GPEGAFLPPH QGFHRFLGIP YSHDQGPcQN LTcFPPATPc DATA SEQUENCE DGGcDQGLVP IPLLANLSVE AQPPWLPGLE ARYMAFAHDL MADAQREDRP DATA SEQUENCE FFLYYASHHT HYPQFSGQSF AERSGRGPFG DSLMELDAAV GTLMTAIGDL DATA SEQUENCE GLLEETLVIF TADNGPETMR MSRGGCSGLL RcGKGTTYEG GVREPALAFW DATA SEQUENCE PGHIAPGVTH ELASSLDLLP TLAALAGAPL PNVTLDGFDL SPLLLGTGKS DATA SEQUENCE PRQSLFFYPS YPDEVRGVFA VRTGKYKAHF FTQGSAHSDT TADPAcHASS DATA SEQUENCE SLTAHEPLLL YDLSKDPGEN YNLLGXXXXA TPEVLQALKQ LQLLKAQLDA DATA SEQUENCE AVTFGPSQVA RGEDPALQIc cHPGcTPRPA ccHcP 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 19 R HA 0.000 nan 4.340 nan 0.000 0.208 19 R C 0.000 176.321 176.300 0.034 0.000 0.893 19 R CA 0.000 56.112 56.100 0.019 0.000 0.921 19 R CB 0.000 30.289 30.300 -0.019 0.000 0.687 20 P HA 0.337 nan 4.420 nan 0.000 0.269 20 P C -2.584 174.713 177.300 -0.005 0.000 1.209 20 P CA -0.759 62.374 63.100 0.056 0.000 0.776 20 P CB 0.529 32.297 31.700 0.113 0.000 0.876 21 P HA 0.145 nan 4.420 nan 0.000 0.276 21 P C -0.320 176.874 177.300 -0.176 0.000 1.252 21 P CA -0.420 62.600 63.100 -0.132 0.000 0.802 21 P CB 0.665 32.151 31.700 -0.357 0.000 1.035 22 N N 0.791 119.292 118.700 -0.332 0.000 2.525 22 N HA 0.251 4.992 4.740 0.001 0.000 0.271 22 N C -0.108 175.156 175.510 -0.411 0.000 1.194 22 N CA 0.057 52.738 53.050 -0.615 0.000 0.964 22 N CB 0.567 38.304 38.487 -1.250 0.000 1.126 22 N HN 0.360 nan 8.380 nan 0.000 0.452 23 I N 1.210 121.633 120.570 -0.245 0.000 2.418 23 I HA 0.204 4.375 4.170 0.001 0.000 0.287 23 I C -0.352 175.884 176.117 0.199 0.000 1.008 23 I CA -0.926 60.373 61.300 -0.002 0.000 1.104 23 I CB 2.111 40.175 38.000 0.108 0.000 1.264 23 I HN 0.057 nan 8.210 nan 0.000 0.438 24 V N 8.327 128.351 119.914 0.183 0.000 2.378 24 V HA 0.463 4.583 4.120 0.001 0.000 0.288 24 V C -1.121 175.118 176.094 0.242 0.000 1.016 24 V CA -0.607 61.845 62.300 0.252 0.000 0.840 24 V CB 1.701 33.690 31.823 0.277 0.000 0.994 24 V HN 0.539 nan 8.190 nan 0.000 0.431 25 L N 8.858 130.242 121.223 0.268 0.000 2.297 25 L HA 0.597 4.938 4.340 0.001 0.000 0.277 25 L C -0.339 176.715 176.870 0.306 0.000 1.040 25 L CA -0.016 54.996 54.840 0.286 0.000 0.867 25 L CB 0.523 42.787 42.059 0.342 0.000 1.244 25 L HN 0.591 nan 8.230 nan 0.000 0.433 26 I N 4.513 125.258 120.570 0.292 0.000 2.342 26 I HA 0.212 4.383 4.170 0.001 0.000 0.291 26 I C -0.826 175.384 176.117 0.155 0.000 1.010 26 I CA -0.270 61.193 61.300 0.272 0.000 1.308 26 I CB 0.823 39.098 38.000 0.458 0.000 1.400 26 I HN 0.430 nan 8.210 nan 0.000 0.488 27 F N 6.073 125.914 119.950 -0.182 0.000 2.500 27 F HA 0.617 5.145 4.527 0.001 0.000 0.349 27 F C 0.369 175.986 175.800 -0.305 0.000 1.127 27 F CA -0.960 56.904 58.000 -0.227 0.000 0.998 27 F CB 1.073 40.059 39.000 -0.023 0.000 1.237 27 F HN 0.493 nan 8.300 nan 0.000 0.439 28 A N 3.198 125.759 122.820 -0.432 0.000 2.296 28 A HA 0.489 4.809 4.320 0.001 0.000 0.264 28 A C -0.789 176.566 177.584 -0.382 0.000 1.097 28 A CA -0.293 51.546 52.037 -0.331 0.000 0.811 28 A CB 0.335 19.219 19.000 -0.193 0.000 1.072 28 A HN 0.601 nan 8.150 nan 0.000 0.495 29 D N -0.283 120.010 120.400 -0.177 0.000 2.502 29 D HA 0.418 5.058 4.640 0.001 0.000 0.249 29 D C -1.121 175.187 176.300 0.013 0.000 1.092 29 D CA 0.102 54.052 54.000 -0.083 0.000 0.839 29 D CB 0.835 41.681 40.800 0.078 0.000 1.264 29 D HN 0.477 nan 8.370 nan 0.000 0.511 30 D N 1.535 121.929 120.400 -0.010 0.000 2.697 30 D HA -0.216 4.424 4.640 0.001 0.000 0.235 30 D C -0.772 175.570 176.300 0.069 0.000 1.167 30 D CA 0.475 54.486 54.000 0.019 0.000 0.656 30 D CB -0.918 39.884 40.800 0.004 0.000 1.025 30 D HN 0.241 nan 8.370 nan 0.000 0.419 31 L N -0.241 120.994 121.223 0.019 0.000 2.346 31 L HA 0.740 5.081 4.340 0.001 0.000 0.276 31 L C 0.641 177.537 176.870 0.042 0.000 1.006 31 L CA -0.348 54.538 54.840 0.078 0.000 0.817 31 L CB 1.950 44.026 42.059 0.028 0.000 1.272 31 L HN 0.037 nan 8.230 nan 0.000 0.421 32 G N 2.005 110.851 108.800 0.075 0.000 2.488 32 G HA2 0.150 4.110 3.960 0.001 0.000 0.318 32 G HA3 0.150 4.110 3.960 0.001 0.000 0.318 32 G C -0.041 174.875 174.900 0.027 0.000 1.188 32 G CA -0.218 44.915 45.100 0.055 0.000 0.944 32 G HN 0.772 nan 8.290 nan 0.000 0.495 33 Y N 0.373 120.619 120.300 -0.091 0.000 2.298 33 Y HA -0.082 4.469 4.550 0.001 0.000 0.287 33 Y C 2.175 178.017 175.900 -0.097 0.000 1.164 33 Y CA 2.118 60.121 58.100 -0.160 0.000 1.229 33 Y CB 0.270 38.686 38.460 -0.073 0.000 0.977 33 Y HN 0.442 nan 8.280 nan 0.000 0.538 34 G N -1.252 107.648 108.800 0.167 0.000 3.936 34 G HA2 0.060 4.020 3.960 0.001 0.000 0.296 34 G HA3 0.060 4.020 3.960 0.001 0.000 0.296 34 G C 0.555 175.589 174.900 0.223 0.000 1.121 34 G CA 0.054 45.270 45.100 0.192 0.000 0.899 34 G HN 0.249 nan 8.290 nan 0.000 0.542 35 D N 0.391 120.852 120.400 0.101 0.000 2.240 35 D HA 0.070 4.710 4.640 0.001 0.000 0.206 35 D C 1.478 177.820 176.300 0.070 0.000 0.963 35 D CA 0.146 54.190 54.000 0.072 0.000 0.863 35 D CB 0.462 41.325 40.800 0.105 0.000 0.973 35 D HN 0.262 nan 8.370 nan 0.000 0.501 36 L N 0.463 121.735 121.223 0.080 0.000 2.467 36 L HA 0.173 4.513 4.340 0.001 0.000 0.270 36 L C 2.046 179.018 176.870 0.169 0.000 1.205 36 L CA -0.191 54.719 54.840 0.116 0.000 0.828 36 L CB 0.645 42.802 42.059 0.163 0.000 1.101 36 L HN -0.015 nan 8.230 nan 0.000 0.479 37 G N 0.658 109.523 108.800 0.109 0.000 2.442 37 G HA2 -0.252 3.708 3.960 0.001 0.000 0.219 37 G HA3 -0.252 3.708 3.960 0.001 0.000 0.219 37 G C 1.409 176.369 174.900 0.100 0.000 1.141 37 G CA 0.976 46.142 45.100 0.109 0.000 0.763 37 G HN 0.905 nan 8.290 nan 0.000 0.554 38 C N -1.879 117.477 119.300 0.093 0.000 2.576 38 C HA 0.387 4.848 4.460 0.001 0.000 0.267 38 C C 1.562 176.537 174.990 -0.025 0.000 1.364 38 C CA -0.701 58.330 59.018 0.022 0.000 1.723 38 C CB -1.467 26.266 27.740 -0.011 0.000 1.778 38 C HN 0.319 nan 8.230 nan 0.000 0.572 39 Y N 1.217 121.510 120.300 -0.011 0.000 2.607 39 Y HA 0.470 5.021 4.550 0.001 0.000 0.266 39 Y C 1.916 177.828 175.900 0.020 0.000 1.178 39 Y CA 0.361 58.431 58.100 -0.050 0.000 1.226 39 Y CB 0.044 38.391 38.460 -0.190 0.000 1.144 39 Y HN 0.450 nan 8.280 nan 0.000 0.528 40 G N -1.330 107.562 108.800 0.153 0.000 2.278 40 G HA2 -0.257 3.703 3.960 0.001 0.000 0.210 40 G HA3 -0.257 3.703 3.960 0.001 0.000 0.210 40 G C 0.212 175.171 174.900 0.097 0.000 1.000 40 G CA -0.286 44.877 45.100 0.106 0.000 0.635 40 G HN 0.394 nan 8.290 nan 0.000 0.495 41 H N 3.061 122.180 119.070 0.081 0.000 3.064 41 H HA 0.156 4.712 4.556 0.001 0.000 0.329 41 H C -0.925 174.429 175.328 0.045 0.000 1.020 41 H CA 0.564 56.648 56.048 0.060 0.000 1.402 41 H CB 1.592 31.392 29.762 0.064 0.000 1.379 41 H HN 0.208 nan 8.280 nan 0.000 0.594 42 P HA -0.021 nan 4.420 nan 0.000 0.245 42 P C 0.646 178.034 177.300 0.146 0.000 1.206 42 P CA 0.634 63.735 63.100 0.001 0.000 0.781 42 P CB 0.541 32.191 31.700 -0.083 0.000 0.994 43 S N -3.453 112.497 115.700 0.417 0.000 2.684 43 S HA 0.169 4.639 4.470 0.001 0.000 0.268 43 S C 0.752 175.455 174.600 0.172 0.000 1.075 43 S CA -0.267 58.076 58.200 0.239 0.000 1.184 43 S CB -0.437 62.876 63.200 0.189 0.000 1.129 43 S HN -0.106 nan 8.310 nan 0.000 0.630 44 S N 2.383 118.184 115.700 0.168 0.000 2.573 44 S HA 0.384 4.854 4.470 0.001 0.000 0.277 44 S C -0.164 174.454 174.600 0.030 0.000 1.346 44 S CA 0.137 58.336 58.200 -0.002 0.000 1.034 44 S CB 0.662 63.816 63.200 -0.078 0.000 0.879 44 S HN 0.435 nan 8.310 nan 0.000 0.528 45 T N 2.277 116.826 114.554 -0.008 0.000 2.912 45 T HA 0.477 4.828 4.350 0.001 0.000 0.326 45 T C 0.021 174.696 174.700 -0.043 0.000 1.080 45 T CA -0.650 61.445 62.100 -0.008 0.000 1.000 45 T CB 0.534 69.402 68.868 -0.001 0.000 1.008 45 T HN 0.723 nan 8.240 nan 0.000 0.473 46 T N 0.485 115.015 114.554 -0.041 0.000 3.658 46 T HA 0.306 4.657 4.350 0.001 0.000 0.245 46 T C -2.175 172.485 174.700 -0.068 0.000 1.292 46 T CA -1.382 60.672 62.100 -0.077 0.000 1.598 46 T CB 0.894 69.712 68.868 -0.084 0.000 0.861 46 T HN 0.136 nan 8.240 nan 0.000 0.663 47 P HA -0.071 nan 4.420 nan 0.000 0.217 47 P C 1.048 178.312 177.300 -0.061 0.000 1.150 47 P CA 1.131 64.208 63.100 -0.039 0.000 0.832 47 P CB 0.078 31.767 31.700 -0.018 0.000 0.787 48 N N -0.010 118.641 118.700 -0.083 0.000 2.106 48 N HA -0.066 4.675 4.740 0.001 0.000 0.188 48 N C 1.892 177.310 175.510 -0.154 0.000 1.029 48 N CA 0.855 53.839 53.050 -0.110 0.000 0.848 48 N CB -0.898 37.524 38.487 -0.108 0.000 1.007 48 N HN 0.063 nan 8.380 nan 0.000 0.423 49 L N 0.798 121.905 121.223 -0.194 0.000 2.079 49 L HA -0.181 4.159 4.340 0.001 0.000 0.210 49 L C 1.404 178.194 176.870 -0.134 0.000 1.081 49 L CA 1.022 55.718 54.840 -0.239 0.000 0.752 49 L CB -0.399 41.431 42.059 -0.380 0.000 0.896 49 L HN 0.172 nan 8.230 nan 0.000 0.433 50 D N -0.499 119.849 120.400 -0.087 0.000 2.178 50 D HA -0.191 4.449 4.640 0.001 0.000 0.201 50 D C 2.262 178.539 176.300 -0.039 0.000 0.980 50 D CA 0.978 54.953 54.000 -0.043 0.000 0.842 50 D CB -0.077 40.709 40.800 -0.024 0.000 0.948 50 D HN 0.379 nan 8.370 nan 0.000 0.472 51 Q N -0.397 119.367 119.800 -0.059 0.000 2.172 51 Q HA -0.030 4.310 4.340 0.001 0.000 0.200 51 Q C 1.930 177.890 176.000 -0.067 0.000 0.964 51 Q CA 0.190 55.966 55.803 -0.045 0.000 0.855 51 Q CB 0.076 28.786 28.738 -0.047 0.000 0.918 51 Q HN 0.198 nan 8.270 nan 0.000 0.444 52 L N 0.190 121.321 121.223 -0.154 0.000 2.275 52 L HA -0.072 4.269 4.340 0.001 0.000 0.215 52 L C 1.819 178.700 176.870 0.018 0.000 1.119 52 L CA 1.488 56.188 54.840 -0.233 0.000 0.790 52 L CB -0.843 41.024 42.059 -0.319 0.000 0.919 52 L HN 0.109 nan 8.230 nan 0.000 0.443 53 A N -0.932 121.904 122.820 0.027 0.000 1.911 53 A HA 0.138 4.459 4.320 0.001 0.000 0.212 53 A C 2.426 180.052 177.584 0.070 0.000 1.189 53 A CA 0.925 53.001 52.037 0.065 0.000 0.639 53 A CB -0.478 18.532 19.000 0.016 0.000 0.839 53 A HN 0.389 nan 8.150 nan 0.000 0.449 54 A N -0.325 122.524 122.820 0.048 0.000 1.978 54 A HA 0.129 4.449 4.320 0.001 0.000 0.220 54 A C 1.923 179.572 177.584 0.107 0.000 1.170 54 A CA 1.728 53.797 52.037 0.054 0.000 0.636 54 A CB -0.862 18.159 19.000 0.036 0.000 0.810 54 A HN 0.876 nan 8.150 nan 0.000 0.448 55 G N -1.530 107.389 108.800 0.200 0.000 3.707 55 G HA2 0.497 4.457 3.960 0.001 0.000 0.286 55 G HA3 0.497 4.457 3.960 0.001 0.000 0.286 55 G C 0.299 175.395 174.900 0.327 0.000 1.112 55 G CA 0.623 45.891 45.100 0.280 0.000 0.861 55 G HN 0.910 nan 8.290 nan 0.000 0.534 56 G N -0.582 108.375 108.800 0.260 0.000 2.706 56 G HA2 0.464 4.424 3.960 0.001 0.000 0.307 56 G HA3 0.464 4.424 3.960 0.001 0.000 0.307 56 G C -1.843 173.143 174.900 0.142 0.000 1.307 56 G CA -0.789 44.462 45.100 0.252 0.000 0.790 56 G HN 0.260 nan 8.290 nan 0.000 0.503 57 L N 0.968 122.277 121.223 0.144 0.000 2.257 57 L HA 0.656 4.996 4.340 0.001 0.000 0.290 57 L C 0.584 177.501 176.870 0.078 0.000 1.044 57 L CA -0.699 54.153 54.840 0.020 0.000 0.810 57 L CB 1.018 43.052 42.059 -0.042 0.000 1.193 57 L HN 0.532 nan 8.230 nan 0.000 0.425 58 R N 4.368 124.875 120.500 0.012 0.000 2.229 58 R HA 0.413 4.753 4.340 0.001 0.000 0.328 58 R C -1.226 175.120 176.300 0.076 0.000 1.009 58 R CA -0.471 55.690 56.100 0.101 0.000 0.864 58 R CB 0.430 30.714 30.300 -0.026 0.000 1.085 58 R HN 0.417 nan 8.270 nan 0.000 0.453 59 F N 1.825 121.874 119.950 0.166 0.000 2.384 59 F HA 0.182 4.709 4.527 0.001 0.000 0.338 59 F C 1.714 177.697 175.800 0.304 0.000 1.103 59 F CA -0.350 57.790 58.000 0.232 0.000 1.157 59 F CB 1.955 41.149 39.000 0.324 0.000 1.167 59 F HN 0.602 nan 8.300 nan 0.000 0.529 60 T N -3.504 111.339 114.554 0.481 0.000 3.037 60 T HA 0.137 4.487 4.350 0.001 0.000 0.251 60 T C 0.117 175.158 174.700 0.569 0.000 1.079 60 T CA 0.274 62.700 62.100 0.544 0.000 1.067 60 T CB -0.183 69.001 68.868 0.528 0.000 0.948 60 T HN 0.409 nan 8.240 nan 0.000 0.496 61 D N 0.651 121.357 120.400 0.509 0.000 2.938 61 D HA 0.379 5.019 4.640 0.001 0.000 0.369 61 D C -1.403 175.136 176.300 0.399 0.000 1.301 61 D CA -0.504 53.725 54.000 0.382 0.000 0.805 61 D CB 0.119 41.178 40.800 0.433 0.000 1.161 61 D HN 0.347 nan 8.370 nan 0.000 0.474 62 F N 1.111 121.154 119.950 0.154 0.000 2.422 62 F HA 0.593 5.121 4.527 0.001 0.000 0.333 62 F C -1.052 174.675 175.800 -0.122 0.000 1.095 62 F CA -0.570 57.492 58.000 0.103 0.000 1.038 62 F CB 0.759 39.748 39.000 -0.017 0.000 1.156 62 F HN -0.089 nan 8.300 nan 0.000 0.483 63 Y N 3.148 123.265 120.300 -0.306 0.000 2.634 63 Y HA 0.645 5.196 4.550 0.000 0.000 0.340 63 Y C -0.581 175.260 175.900 -0.100 0.000 1.058 63 Y CA -1.091 56.984 58.100 -0.042 0.000 1.081 63 Y CB 1.942 40.460 38.460 0.097 0.000 1.295 63 Y HN 0.531 nan 8.280 nan 0.000 0.487 64 V N -0.829 119.269 119.914 0.307 0.000 2.864 64 V HA 0.592 4.712 4.120 0.001 0.000 0.314 64 V C -2.589 173.702 176.094 0.328 0.000 1.073 64 V CA -2.264 60.186 62.300 0.249 0.000 0.956 64 V CB 2.187 34.153 31.823 0.237 0.000 1.023 64 V HN 0.664 nan 8.190 nan 0.000 0.435 65 P HA 0.187 nan 4.420 nan 0.000 0.239 65 P C 0.045 177.508 177.300 0.271 0.000 1.188 65 P CA 0.322 63.537 63.100 0.192 0.000 0.794 65 P CB 0.708 32.437 31.700 0.047 0.000 0.937 66 V N 0.513 120.545 119.914 0.196 0.000 2.733 66 V HA 0.203 4.324 4.120 0.001 0.000 0.306 66 V C 0.472 176.625 176.094 0.098 0.000 1.084 66 V CA -0.509 61.873 62.300 0.137 0.000 0.905 66 V CB 1.999 33.847 31.823 0.042 0.000 1.010 66 V HN -0.004 nan 8.190 nan 0.000 0.424 67 S N 4.441 120.186 115.700 0.076 0.000 2.704 67 S HA 0.580 5.050 4.470 0.001 0.000 0.241 67 S C -0.198 174.394 174.600 -0.014 0.000 1.264 67 S CA -0.348 57.880 58.200 0.046 0.000 1.236 67 S CB -0.440 62.794 63.200 0.057 0.000 0.928 67 S HN 0.496 nan 8.310 nan 0.000 0.492 71 P HA -0.108 nan 4.420 nan 0.000 0.216 71 P C 1.653 178.909 177.300 -0.074 0.000 1.150 71 P CA 1.568 64.585 63.100 -0.138 0.000 0.843 71 P CB 0.014 31.635 31.700 -0.132 0.000 0.787 72 S N -0.300 115.389 115.700 -0.018 0.000 2.355 72 S HA -0.103 4.368 4.470 0.001 0.000 0.222 72 S C 2.195 176.868 174.600 0.121 0.000 1.031 72 S CA 0.881 59.132 58.200 0.085 0.000 0.993 72 S CB -0.589 62.684 63.200 0.121 0.000 0.859 72 S HN 0.016 nan 8.310 nan 0.000 0.453 73 R N 0.753 121.318 120.500 0.109 0.000 2.105 73 R HA 0.007 4.347 4.340 0.001 0.000 0.239 73 R C 2.600 178.840 176.300 -0.101 0.000 1.135 73 R CA 1.362 57.505 56.100 0.072 0.000 0.967 73 R CB -0.568 29.759 30.300 0.045 0.000 0.861 73 R HN 0.502 nan 8.270 nan 0.000 0.442 74 A N 0.937 123.669 122.820 -0.147 0.000 1.933 74 A HA -0.095 4.226 4.320 0.001 0.000 0.218 74 A C 2.324 179.828 177.584 -0.132 0.000 1.175 74 A CA 1.651 53.585 52.037 -0.172 0.000 0.628 74 A CB -0.624 18.269 19.000 -0.179 0.000 0.814 74 A HN 0.400 nan 8.150 nan 0.000 0.444 75 A N -0.545 122.218 122.820 -0.096 0.000 1.898 75 A HA 0.034 4.355 4.320 0.001 0.000 0.216 75 A C 2.133 179.660 177.584 -0.094 0.000 1.181 75 A CA 1.546 53.532 52.037 -0.084 0.000 0.620 75 A CB -0.625 18.349 19.000 -0.043 0.000 0.819 75 A HN 0.647 nan 8.150 nan 0.000 0.442 76 L N -0.238 120.924 121.223 -0.103 0.000 2.012 76 L HA -0.136 4.204 4.340 0.001 0.000 0.210 76 L C 2.245 178.994 176.870 -0.201 0.000 1.073 76 L CA 1.851 56.586 54.840 -0.175 0.000 0.748 76 L CB -0.299 41.540 42.059 -0.366 0.000 0.891 76 L HN 0.400 nan 8.230 nan 0.000 0.431 77 L N -1.327 119.777 121.223 -0.198 0.000 2.240 77 L HA -0.061 4.280 4.340 0.001 0.000 0.211 77 L C 2.085 178.868 176.870 -0.144 0.000 1.106 77 L CA 1.340 56.072 54.840 -0.179 0.000 0.793 77 L CB -0.735 41.251 42.059 -0.121 0.000 0.927 77 L HN 0.499 nan 8.230 nan 0.000 0.446 78 T N -4.588 109.888 114.554 -0.130 0.000 3.040 78 T HA 0.215 4.565 4.350 0.001 0.000 0.250 78 T C 1.421 176.048 174.700 -0.122 0.000 1.058 78 T CA 0.370 62.400 62.100 -0.118 0.000 0.988 78 T CB 0.554 69.359 68.868 -0.106 0.000 0.993 78 T HN 0.346 nan 8.240 nan 0.000 0.519 79 G N 1.567 110.293 108.800 -0.124 0.000 2.283 79 G HA2 -0.282 3.679 3.960 0.001 0.000 0.280 79 G HA3 -0.282 3.679 3.960 0.001 0.000 0.280 79 G C -0.022 174.803 174.900 -0.124 0.000 1.029 79 G CA 0.226 45.254 45.100 -0.121 0.000 0.840 79 G HN 0.724 nan 8.290 nan 0.000 0.505 80 R N -1.423 119.006 120.500 -0.118 0.000 2.686 80 R HA 0.623 4.963 4.340 0.001 0.000 0.283 80 R C 0.469 176.694 176.300 -0.126 0.000 0.978 80 R CA -0.998 55.028 56.100 -0.123 0.000 0.897 80 R CB 1.248 31.476 30.300 -0.120 0.000 1.192 80 R HN 0.158 nan 8.270 nan 0.000 0.457 81 L N 4.183 125.325 121.223 -0.135 0.000 2.490 81 L HA 0.093 4.433 4.340 0.001 0.000 0.274 81 L C -1.427 175.314 176.870 -0.214 0.000 1.201 81 L CA -1.157 53.589 54.840 -0.157 0.000 0.869 81 L CB 0.664 42.631 42.059 -0.154 0.000 1.123 81 L HN 0.443 nan 8.230 nan 0.000 0.484 82 P HA -0.166 nan 4.420 nan 0.000 0.219 82 P C 1.424 178.556 177.300 -0.280 0.000 1.146 82 P CA 0.857 63.823 63.100 -0.223 0.000 0.808 82 P CB 0.121 31.699 31.700 -0.203 0.000 0.779 83 V N -3.144 116.462 119.914 -0.512 0.000 3.041 83 V HA -0.026 4.094 4.120 0.001 0.000 0.260 83 V C 2.111 177.990 176.094 -0.358 0.000 1.105 83 V CA 0.953 62.849 62.300 -0.673 0.000 1.125 83 V CB -1.152 29.680 31.823 -1.651 0.000 0.730 83 V HN 0.007 nan 8.190 nan 0.000 0.479 84 R N 0.979 121.313 120.500 -0.276 0.000 2.096 84 R HA 0.028 4.369 4.340 0.001 0.000 0.235 84 R C 1.433 177.679 176.300 -0.091 0.000 1.127 84 R CA 1.935 57.946 56.100 -0.149 0.000 0.968 84 R CB -0.330 29.889 30.300 -0.135 0.000 0.861 84 R HN 0.589 nan 8.270 nan 0.000 0.440 85 M N -1.105 118.431 119.600 -0.107 0.000 2.655 85 M HA 0.377 4.858 4.480 0.001 0.000 0.311 85 M C 0.622 176.852 176.300 -0.116 0.000 1.229 85 M CA 0.232 55.475 55.300 -0.095 0.000 0.972 85 M CB 1.355 33.890 32.600 -0.108 0.000 1.366 85 M HN 0.183 nan 8.290 nan 0.000 0.500 86 G N 0.474 109.226 108.800 -0.079 0.000 2.155 86 G HA2 -0.214 3.747 3.960 0.001 0.000 0.257 86 G HA3 -0.214 3.747 3.960 0.001 0.000 0.257 86 G C 0.214 174.875 174.900 -0.398 0.000 0.983 86 G CA -0.039 44.904 45.100 -0.262 0.000 0.676 86 G HN 0.392 nan 8.290 nan 0.000 0.528 87 M N 0.671 120.137 119.600 -0.223 0.000 3.706 87 M HA 0.473 4.954 4.480 0.001 0.000 0.204 87 M C 0.103 176.301 176.300 -0.169 0.000 1.455 87 M CA -0.908 54.248 55.300 -0.239 0.000 1.659 87 M CB -1.952 30.523 32.600 -0.209 0.000 1.076 87 M HN 0.559 nan 8.290 nan 0.000 0.577 88 Y N -1.531 118.611 120.300 -0.262 0.000 2.713 88 Y HA 0.855 5.406 4.550 0.001 0.000 0.335 88 Y C -3.297 172.467 175.900 -0.228 0.000 1.222 88 Y CA -2.451 55.477 58.100 -0.286 0.000 1.061 88 Y CB 0.435 38.711 38.460 -0.307 0.000 1.314 88 Y HN 0.022 nan 8.280 nan 0.000 0.453 89 P HA 0.464 nan 4.420 nan 0.000 0.306 89 P C 0.530 177.559 177.300 -0.452 0.000 1.309 89 P CA 0.814 63.739 63.100 -0.291 0.000 0.759 89 P CB 0.852 32.221 31.700 -0.551 0.000 1.314 90 G N -1.099 107.288 108.800 -0.690 0.000 2.578 90 G HA2 -0.099 3.861 3.960 0.001 0.000 0.284 90 G HA3 -0.099 3.861 3.960 0.001 0.000 0.284 90 G C -0.284 174.486 174.900 -0.216 0.000 1.283 90 G CA 0.694 45.591 45.100 -0.339 0.000 0.944 90 G HN 0.786 nan 8.290 nan 0.000 0.558 91 V N -2.648 117.182 119.914 -0.141 0.000 3.001 91 V HA 0.823 4.943 4.120 0.001 0.000 0.314 91 V C 0.711 176.723 176.094 -0.136 0.000 1.099 91 V CA -1.242 60.929 62.300 -0.215 0.000 0.989 91 V CB 1.677 33.382 31.823 -0.196 0.000 1.040 91 V HN 0.962 nan 8.190 nan 0.000 0.434 92 L N 2.229 123.353 121.223 -0.166 0.000 2.452 92 L HA 0.619 4.959 4.340 0.001 0.000 0.267 92 L C 0.248 177.208 176.870 0.149 0.000 1.188 92 L CA -0.213 54.629 54.840 0.002 0.000 0.821 92 L CB 1.315 43.386 42.059 0.020 0.000 1.102 92 L HN 0.804 nan 8.230 nan 0.000 0.470 93 V N -0.700 119.236 119.914 0.037 0.000 3.158 93 V HA 0.442 4.562 4.120 0.001 0.000 0.315 93 V C -2.261 173.728 176.094 -0.174 0.000 1.148 93 V CA -1.597 60.653 62.300 -0.082 0.000 1.042 93 V CB 1.076 32.864 31.823 -0.059 0.000 1.101 93 V HN 0.491 nan 8.190 nan 0.000 0.448 94 P HA -0.053 nan 4.420 nan 0.000 0.216 94 P C 1.399 178.690 177.300 -0.014 0.000 1.150 94 P CA 1.709 64.629 63.100 -0.301 0.000 0.837 94 P CB 0.134 31.581 31.700 -0.422 0.000 0.786 95 S N -1.528 114.161 115.700 -0.017 0.000 2.593 95 S HA 0.070 4.540 4.470 0.001 0.000 0.217 95 S C 0.806 175.437 174.600 0.052 0.000 0.966 95 S CA 0.077 58.296 58.200 0.031 0.000 0.914 95 S CB -0.654 62.556 63.200 0.016 0.000 0.776 95 S HN 0.059 nan 8.310 nan 0.000 0.523 96 S N 2.088 117.819 115.700 0.053 0.000 2.596 96 S HA 0.067 4.537 4.470 0.001 0.000 0.298 96 S C 1.303 175.963 174.600 0.100 0.000 1.255 96 S CA -0.157 58.078 58.200 0.057 0.000 1.083 96 S CB 0.315 63.544 63.200 0.049 0.000 0.837 96 S HN 0.431 nan 8.310 nan 0.000 0.499 97 R N 2.539 123.089 120.500 0.083 0.000 2.189 97 R HA -0.007 4.333 4.340 0.001 0.000 0.223 97 R C 1.344 177.751 176.300 0.179 0.000 1.092 97 R CA 0.672 56.849 56.100 0.129 0.000 0.989 97 R CB -0.128 30.227 30.300 0.091 0.000 0.876 97 R HN 0.604 nan 8.270 nan 0.000 0.457 98 G N -0.433 108.397 108.800 0.049 0.000 2.531 98 G HA2 0.579 4.540 3.960 0.001 0.000 0.313 98 G HA3 0.579 4.540 3.960 0.001 0.000 0.313 98 G C -0.563 174.067 174.900 -0.451 0.000 1.238 98 G CA -0.057 44.981 45.100 -0.104 0.000 0.994 98 G HN 0.277 nan 8.290 nan 0.000 0.493 99 G N -1.849 106.443 108.800 -0.847 0.000 2.523 99 G HA2 0.511 4.472 3.960 0.001 0.000 0.291 99 G HA3 0.511 4.472 3.960 0.001 0.000 0.291 99 G C -1.592 172.854 174.900 -0.756 0.000 1.450 99 G CA -0.844 43.541 45.100 -1.191 0.000 0.790 99 G HN 0.989 nan 8.290 nan 0.000 0.496 100 L N 1.770 122.717 121.223 -0.460 0.000 2.562 100 L HA 0.397 4.738 4.340 0.001 0.000 0.271 100 L C -1.795 175.012 176.870 -0.106 0.000 1.167 100 L CA -1.245 53.456 54.840 -0.232 0.000 0.917 100 L CB -0.165 41.803 42.059 -0.152 0.000 1.187 100 L HN 0.224 nan 8.230 nan 0.000 0.482 101 P HA -0.114 nan 4.420 nan 0.000 0.266 101 P C 0.854 178.233 177.300 0.132 0.000 1.180 101 P CA 0.366 63.506 63.100 0.067 0.000 0.765 101 P CB 0.478 32.189 31.700 0.018 0.000 0.806 102 L N 2.021 123.356 121.223 0.187 0.000 2.217 102 L HA -0.175 4.165 4.340 0.001 0.000 0.211 102 L C 2.066 178.989 176.870 0.088 0.000 1.107 102 L CA 1.473 56.409 54.840 0.161 0.000 0.783 102 L CB -0.678 41.459 42.059 0.129 0.000 0.919 102 L HN 0.468 nan 8.230 nan 0.000 0.442 103 E N -0.767 119.470 120.200 0.062 0.000 2.265 103 E HA -0.099 4.251 4.350 0.001 0.000 0.196 103 E C 0.420 177.028 176.600 0.013 0.000 0.996 103 E CA 0.457 56.875 56.400 0.029 0.000 0.832 103 E CB -0.181 29.529 29.700 0.017 0.000 0.756 103 E HN 0.308 nan 8.360 nan 0.000 0.491 104 E N 1.172 121.380 120.200 0.013 0.000 2.383 104 E HA 0.141 4.492 4.350 0.001 0.000 0.264 104 E C -0.553 176.041 176.600 -0.009 0.000 1.050 104 E CA -0.316 56.076 56.400 -0.012 0.000 0.896 104 E CB 1.738 31.426 29.700 -0.020 0.000 0.982 104 E HN -0.052 nan 8.360 nan 0.000 0.424 105 V N 3.203 123.096 119.914 -0.035 0.000 2.333 105 V HA 0.141 4.262 4.120 0.001 0.000 0.274 105 V C 0.874 176.923 176.094 -0.075 0.000 1.028 105 V CA -0.572 61.698 62.300 -0.051 0.000 0.851 105 V CB 0.892 32.677 31.823 -0.064 0.000 1.000 105 V HN 0.771 nan 8.190 nan 0.000 0.456 106 T N 2.105 116.615 114.554 -0.074 0.000 2.810 106 T HA 0.324 4.674 4.350 0.001 0.000 0.277 106 T C 1.259 175.847 174.700 -0.186 0.000 0.973 106 T CA -0.281 61.760 62.100 -0.099 0.000 0.949 106 T CB 1.401 70.244 68.868 -0.042 0.000 1.075 106 T HN 0.170 nan 8.240 nan 0.000 0.537 107 V N 0.980 120.756 119.914 -0.231 0.000 2.515 107 V HA 0.011 4.131 4.120 0.001 0.000 0.250 107 V C 3.124 178.931 176.094 -0.477 0.000 1.058 107 V CA 1.788 63.873 62.300 -0.359 0.000 1.064 107 V CB -1.827 29.744 31.823 -0.419 0.000 0.675 107 V HN 1.022 nan 8.190 nan 0.000 0.461 108 A N 0.091 122.634 122.820 -0.462 0.000 1.897 108 A HA -0.175 4.146 4.320 0.001 0.000 0.215 108 A C 2.161 179.492 177.584 -0.421 0.000 1.181 108 A CA 1.522 53.208 52.037 -0.586 0.000 0.620 108 A CB -0.419 17.841 19.000 -1.233 0.000 0.821 108 A HN 0.586 nan 8.150 nan 0.000 0.443 109 E N -0.218 119.797 120.200 -0.308 0.000 2.048 109 E HA -0.208 4.142 4.350 0.001 0.000 0.202 109 E C 1.930 178.426 176.600 -0.173 0.000 1.021 109 E CA 1.684 57.971 56.400 -0.188 0.000 0.825 109 E CB -0.495 29.134 29.700 -0.117 0.000 0.756 109 E HN 0.341 nan 8.360 nan 0.000 0.454 110 V N 0.900 120.692 119.914 -0.203 0.000 2.380 110 V HA -0.245 3.875 4.120 0.001 0.000 0.251 110 V C 2.101 178.070 176.094 -0.209 0.000 1.063 110 V CA 1.421 63.605 62.300 -0.193 0.000 1.055 110 V CB -0.295 31.392 31.823 -0.226 0.000 0.657 110 V HN 0.209 nan 8.190 nan 0.000 0.455 111 L N -0.532 120.504 121.223 -0.312 0.000 2.375 111 L HA 0.226 4.566 4.340 0.001 0.000 0.215 111 L C 2.410 179.260 176.870 -0.033 0.000 1.108 111 L CA 1.577 56.209 54.840 -0.347 0.000 0.830 111 L CB -1.204 40.391 42.059 -0.773 0.000 0.959 111 L HN 0.245 nan 8.230 nan 0.000 0.457 112 A N -0.235 122.557 122.820 -0.046 0.000 1.858 112 A HA -0.106 4.214 4.320 0.001 0.000 0.216 112 A C 2.311 179.956 177.584 0.101 0.000 1.190 112 A CA 1.553 53.636 52.037 0.076 0.000 0.617 112 A CB -0.838 18.159 19.000 -0.005 0.000 0.827 112 A HN 0.317 nan 8.150 nan 0.000 0.443 113 A N -1.336 121.502 122.820 0.029 0.000 2.248 113 A HA 0.048 4.369 4.320 0.001 0.000 0.210 113 A C 2.036 179.649 177.584 0.049 0.000 1.174 113 A CA 1.391 53.448 52.037 0.032 0.000 0.750 113 A CB -0.448 18.552 19.000 0.001 0.000 0.780 113 A HN 0.312 nan 8.150 nan 0.000 0.478 114 R N -1.041 119.511 120.500 0.087 0.000 2.472 114 R HA 0.367 4.708 4.340 0.001 0.000 0.279 114 R C 0.985 177.370 176.300 0.142 0.000 0.953 114 R CA 0.992 57.159 56.100 0.113 0.000 1.088 114 R CB -0.815 29.569 30.300 0.141 0.000 1.197 114 R HN 1.631 nan 8.270 nan 0.000 0.536 115 G N 0.783 109.673 108.800 0.149 0.000 2.291 115 G HA2 -0.274 3.686 3.960 0.001 0.000 0.271 115 G HA3 -0.274 3.686 3.960 0.001 0.000 0.271 115 G C -0.362 174.627 174.900 0.148 0.000 1.099 115 G CA 0.258 45.432 45.100 0.125 0.000 0.919 115 G HN 0.485 nan 8.290 nan 0.000 0.496 116 Y N -1.379 118.982 120.300 0.102 0.000 2.352 116 Y HA 0.586 5.136 4.550 0.001 0.000 0.326 116 Y C 0.667 176.724 175.900 0.261 0.000 1.166 116 Y CA -1.067 57.112 58.100 0.132 0.000 1.182 116 Y CB 1.524 40.032 38.460 0.080 0.000 1.216 116 Y HN 0.312 nan 8.280 nan 0.000 0.474 117 L N 4.473 125.918 121.223 0.370 0.000 2.325 117 L HA 0.325 4.665 4.340 0.001 0.000 0.284 117 L C 0.067 177.250 176.870 0.522 0.000 1.089 117 L CA -0.090 55.013 54.840 0.439 0.000 0.836 117 L CB -0.224 41.978 42.059 0.237 0.000 1.184 117 L HN 0.677 nan 8.230 nan 0.000 0.444 118 T N 1.984 116.839 114.554 0.502 0.000 2.795 118 T HA 0.866 5.217 4.350 0.001 0.000 0.282 118 T C 0.069 174.984 174.700 0.358 0.000 0.980 118 T CA -0.257 62.028 62.100 0.309 0.000 1.012 118 T CB 1.424 70.297 68.868 0.009 0.000 0.936 118 T HN 0.883 nan 8.240 nan 0.000 0.457 119 G N 2.282 111.331 108.800 0.414 0.000 2.667 119 G HA2 0.619 4.579 3.960 0.001 0.000 0.298 119 G HA3 0.619 4.579 3.960 0.001 0.000 0.298 119 G C -1.495 173.630 174.900 0.376 0.000 1.377 119 G CA -1.045 44.329 45.100 0.456 0.000 0.964 119 G HN 0.959 nan 8.290 nan 0.000 0.493 120 M N 1.897 121.628 119.600 0.218 0.000 2.326 120 M HA 0.750 5.230 4.480 0.001 0.000 0.306 120 M C -0.854 175.327 176.300 -0.198 0.000 1.054 120 M CA -0.745 54.450 55.300 -0.175 0.000 0.922 120 M CB 2.009 34.108 32.600 -0.835 0.000 1.632 120 M HN 0.734 nan 8.290 nan 0.000 0.436 121 A N 3.597 126.219 122.820 -0.330 0.000 2.355 121 A HA 0.979 5.299 4.320 0.001 0.000 0.317 121 A C 0.078 177.228 177.584 -0.723 0.000 1.094 121 A CA 0.219 51.833 52.037 -0.706 0.000 0.764 121 A CB 1.078 19.704 19.000 -0.623 0.000 1.230 121 A HN 1.509 nan 8.150 nan 0.000 0.448 122 G N 0.963 109.275 108.800 -0.812 0.000 2.416 122 G HA2 -0.013 3.947 3.960 0.001 0.000 0.203 122 G HA3 -0.013 3.947 3.960 0.001 0.000 0.203 122 G C -0.109 174.683 174.900 -0.180 0.000 1.227 122 G CA -0.095 44.634 45.100 -0.618 0.000 1.041 122 G HN 1.121 nan 8.290 nan 0.000 0.546 123 K N 0.624 120.837 120.400 -0.311 0.000 2.368 123 K HA 0.347 4.667 4.320 0.001 0.000 0.282 123 K C 1.029 177.723 176.600 0.156 0.000 1.035 123 K CA 0.094 56.405 56.287 0.041 0.000 0.973 123 K CB 0.331 32.803 32.500 -0.046 0.000 0.957 123 K HN 0.627 nan 8.250 nan 0.000 0.474 124 W N 5.044 126.364 121.300 0.033 0.000 2.922 124 W HA -0.033 4.628 4.660 0.001 0.000 0.260 124 W C -0.045 176.575 176.519 0.168 0.000 1.088 124 W CA 0.580 57.940 57.345 0.024 0.000 1.694 124 W CB 0.004 29.419 29.460 -0.075 0.000 1.064 124 W HN 0.972 nan 8.180 nan 0.000 0.611 125 H N 0.917 120.023 119.070 0.060 0.000 2.580 125 H HA -0.222 4.335 4.556 0.001 0.000 0.316 125 H C 0.191 175.308 175.328 -0.352 0.000 1.073 125 H CA 0.679 56.708 56.048 -0.032 0.000 1.135 125 H CB -1.071 28.689 29.762 -0.004 0.000 1.437 125 H HN 0.174 nan 8.280 nan 0.000 0.404 126 L N 0.169 120.936 121.223 -0.760 0.000 3.168 126 L HA 0.363 4.703 4.340 0.001 0.000 0.277 126 L C 1.035 177.719 176.870 -0.309 0.000 1.245 126 L CA 0.450 54.766 54.840 -0.873 0.000 1.035 126 L CB 1.121 42.154 42.059 -1.709 0.000 1.399 126 L HN 0.542 nan 8.230 nan 0.000 0.580 127 G N -0.907 107.936 108.800 0.071 0.000 2.587 127 G HA2 -0.026 3.935 3.960 0.001 0.000 0.686 127 G HA3 -0.026 3.935 3.960 0.001 0.000 0.686 127 G C -0.470 174.806 174.900 0.627 0.000 1.236 127 G CA -0.457 44.791 45.100 0.247 0.000 0.820 127 G HN -0.260 nan 8.290 nan 0.000 0.645 128 V N 1.253 121.517 119.914 0.584 0.000 3.449 128 V HA 0.822 4.942 4.120 0.001 0.000 0.208 128 V C 1.918 178.287 176.094 0.459 0.000 1.269 128 V CA 1.892 64.484 62.300 0.487 0.000 1.301 128 V CB -0.075 31.981 31.823 0.388 0.000 1.306 128 V HN 2.981 nan 8.190 nan 0.000 0.531 129 G N 1.912 110.965 108.800 0.422 0.000 2.781 129 G HA2 -0.108 3.852 3.960 0.001 0.000 0.683 129 G HA3 -0.108 3.852 3.960 0.001 0.000 0.683 129 G C -2.756 172.185 174.900 0.068 0.000 1.390 129 G CA -0.344 44.896 45.100 0.233 0.000 0.850 129 G HN 0.397 nan 8.290 nan 0.000 0.557 130 P HA 0.433 nan 4.420 nan 0.000 0.264 130 P C 0.559 177.836 177.300 -0.039 0.000 1.229 130 P CA 1.901 64.994 63.100 -0.012 0.000 0.780 130 P CB 0.151 31.834 31.700 -0.028 0.000 0.808 131 E N 2.187 122.391 120.200 0.006 0.000 3.286 131 E HA -0.193 4.157 4.350 0.001 0.000 0.292 131 E C 0.975 177.598 176.600 0.038 0.000 0.928 131 E CA 1.683 58.092 56.400 0.015 0.000 0.982 131 E CB -2.614 27.081 29.700 -0.008 0.000 1.500 131 E HN 1.056 nan 8.360 nan 0.000 0.441 132 G N -2.737 106.089 108.800 0.043 0.000 2.149 132 G HA2 0.125 4.085 3.960 0.001 0.000 0.235 132 G HA3 0.125 4.085 3.960 0.001 0.000 0.235 132 G C 1.311 176.297 174.900 0.143 0.000 1.018 132 G CA 1.281 46.444 45.100 0.105 0.000 0.728 132 G HN 2.154 nan 8.290 nan 0.000 0.508 133 A N -0.908 121.874 122.820 -0.064 0.000 2.125 133 A HA 0.358 4.679 4.320 0.001 0.000 0.219 133 A C 1.613 179.143 177.584 -0.090 0.000 1.156 133 A CA 1.911 53.807 52.037 -0.234 0.000 0.671 133 A CB -0.334 18.316 19.000 -0.584 0.000 0.794 133 A HN 0.783 nan 8.150 nan 0.000 0.459 134 F N -0.741 119.358 119.950 0.248 0.000 2.678 134 F HA 0.365 4.892 4.527 0.001 0.000 0.305 134 F C 0.650 176.611 175.800 0.268 0.000 1.090 134 F CA -0.786 57.391 58.000 0.296 0.000 1.272 134 F CB -0.343 38.846 39.000 0.316 0.000 1.060 134 F HN -0.031 nan 8.300 nan 0.000 0.576 135 L N 2.012 123.355 121.223 0.200 0.000 2.482 135 L HA 0.029 4.369 4.340 0.001 0.000 0.273 135 L C -0.785 175.679 176.870 -0.675 0.000 1.228 135 L CA -1.387 53.266 54.840 -0.311 0.000 0.827 135 L CB 0.278 42.206 42.059 -0.219 0.000 1.099 135 L HN -0.126 nan 8.230 nan 0.000 0.494 136 P HA -0.158 nan 4.420 nan 0.000 0.217 136 P C -1.440 175.579 177.300 -0.467 0.000 1.158 136 P CA 1.567 63.918 63.100 -1.248 0.000 0.887 136 P CB -0.892 29.762 31.700 -1.744 0.000 0.792 137 P HA -0.154 nan 4.420 nan 0.000 0.221 137 P C 1.000 178.118 177.300 -0.303 0.000 1.145 137 P CA 1.474 64.405 63.100 -0.283 0.000 0.795 137 P CB -0.731 30.791 31.700 -0.297 0.000 0.775 138 H N -1.891 117.159 119.070 -0.033 0.000 2.551 138 H HA 0.138 4.694 4.556 0.001 0.000 0.266 138 H C 0.999 176.347 175.328 0.033 0.000 0.977 138 H CA 0.261 56.313 56.048 0.008 0.000 1.163 138 H CB 0.096 29.867 29.762 0.016 0.000 1.381 138 H HN 0.105 nan 8.280 nan 0.000 0.581 139 Q N -0.028 119.834 119.800 0.104 0.000 2.155 139 Q HA 0.211 4.551 4.340 0.001 0.000 0.273 139 Q C 0.550 176.539 176.000 -0.019 0.000 0.857 139 Q CA 0.312 56.189 55.803 0.123 0.000 1.116 139 Q CB 1.632 30.543 28.738 0.288 0.000 1.209 139 Q HN 0.645 nan 8.270 nan 0.000 0.460 140 G N 0.718 109.474 108.800 -0.073 0.000 2.159 140 G HA2 -0.244 3.717 3.960 0.001 0.000 0.227 140 G HA3 -0.244 3.717 3.960 0.001 0.000 0.227 140 G C -0.264 174.371 174.900 -0.441 0.000 0.986 140 G CA -0.486 44.469 45.100 -0.241 0.000 0.651 140 G HN 0.277 nan 8.290 nan 0.000 0.523 141 F N 0.613 120.475 119.950 -0.146 0.000 2.408 141 F HA 0.574 5.101 4.527 0.001 0.000 0.344 141 F C 1.609 177.336 175.800 -0.121 0.000 1.112 141 F CA -0.368 57.545 58.000 -0.146 0.000 1.096 141 F CB 0.953 39.909 39.000 -0.073 0.000 1.129 141 F HN 0.113 nan 8.300 nan 0.000 0.486 142 H N 1.269 120.481 119.070 0.237 0.000 2.389 142 H HA 0.104 4.660 4.556 0.001 0.000 0.299 142 H C 0.236 175.682 175.328 0.196 0.000 1.081 142 H CA 0.859 57.007 56.048 0.167 0.000 1.345 142 H CB 0.275 30.117 29.762 0.134 0.000 1.393 142 H HN 0.302 nan 8.280 nan 0.000 0.520 143 R N 0.417 121.146 120.500 0.383 0.000 2.621 143 R HA 0.325 4.665 4.340 0.001 0.000 0.292 143 R C -1.787 174.836 176.300 0.537 0.000 0.969 143 R CA -0.849 55.503 56.100 0.420 0.000 0.887 143 R CB 2.402 32.922 30.300 0.365 0.000 1.180 143 R HN 0.023 nan 8.270 nan 0.000 0.450 144 F N 3.481 123.534 119.950 0.171 0.000 2.730 144 F HA 0.348 4.875 4.527 0.001 0.000 0.335 144 F C -1.894 173.728 175.800 -0.297 0.000 1.212 144 F CA -1.450 56.457 58.000 -0.154 0.000 1.016 144 F CB 1.291 40.159 39.000 -0.220 0.000 1.290 144 F HN 0.323 nan 8.300 nan 0.000 0.495 145 L N 6.502 127.102 121.223 -1.037 0.000 2.318 145 L HA 0.950 5.290 4.340 0.001 0.000 0.277 145 L C -0.452 175.819 176.870 -0.998 0.000 1.008 145 L CA 0.032 54.263 54.840 -1.015 0.000 0.846 145 L CB 0.928 42.513 42.059 -0.790 0.000 1.220 145 L HN 0.787 nan 8.230 nan 0.000 0.423 146 G N 4.434 112.584 108.800 -1.084 0.000 2.489 146 G HA2 0.387 4.347 3.960 0.001 0.000 0.305 146 G HA3 0.387 4.347 3.960 0.001 0.000 0.305 146 G C -1.631 173.153 174.900 -0.193 0.000 1.311 146 G CA -0.797 44.065 45.100 -0.396 0.000 0.813 146 G HN 0.414 nan 8.290 nan 0.000 0.480 147 I N 1.841 122.465 120.570 0.091 0.000 2.336 147 I HA 0.309 4.480 4.170 0.001 0.000 0.292 147 I C -1.495 174.647 176.117 0.041 0.000 0.991 147 I CA -2.118 59.177 61.300 -0.008 0.000 1.227 147 I CB 2.671 40.642 38.000 -0.048 0.000 1.366 147 I HN 0.268 nan 8.210 nan 0.000 0.466 148 P HA -0.002 nan 4.420 nan 0.000 0.249 148 P C -0.970 176.335 177.300 0.009 0.000 1.241 148 P CA 0.878 63.969 63.100 -0.015 0.000 0.781 148 P CB -0.073 31.532 31.700 -0.158 0.000 1.088 149 Y N -4.456 115.898 120.300 0.089 0.000 2.955 149 Y HA 0.486 5.037 4.550 0.001 0.000 0.330 149 Y C -0.212 175.517 175.900 -0.286 0.000 1.480 149 Y CA -1.912 56.052 58.100 -0.226 0.000 1.096 149 Y CB -0.552 37.775 38.460 -0.222 0.000 1.828 149 Y HN -0.404 nan 8.280 nan 0.000 0.428 150 S N 1.239 116.813 115.700 -0.209 0.000 2.593 150 S HA 0.080 4.550 4.470 0.001 0.000 0.269 150 S C 0.861 175.433 174.600 -0.046 0.000 1.334 150 S CA -0.037 58.055 58.200 -0.180 0.000 1.015 150 S CB 0.022 62.940 63.200 -0.470 0.000 0.912 150 S HN 0.924 nan 8.310 nan 0.000 0.541 151 H N 1.059 120.007 119.070 -0.204 0.000 2.563 151 H HA 0.000 4.557 4.556 0.001 0.000 0.272 151 H C 0.457 175.692 175.328 -0.155 0.000 1.005 151 H CA 1.041 56.950 56.048 -0.232 0.000 1.171 151 H CB -0.338 29.187 29.762 -0.396 0.000 1.351 151 H HN 0.713 nan 8.280 nan 0.000 0.602 152 D N 0.581 120.790 120.400 -0.317 0.000 2.363 152 D HA -0.059 4.581 4.640 0.001 0.000 0.214 152 D C 0.386 176.666 176.300 -0.034 0.000 1.093 152 D CA -0.248 53.642 54.000 -0.182 0.000 0.837 152 D CB -0.229 40.535 40.800 -0.060 0.000 0.948 152 D HN 0.342 nan 8.370 nan 0.000 0.507 153 Q N 0.797 120.571 119.800 -0.044 0.000 2.938 153 Q HA 0.482 4.823 4.340 0.001 0.000 0.343 153 Q C -0.094 175.883 176.000 -0.038 0.000 1.185 153 Q CA -0.327 55.433 55.803 -0.072 0.000 0.939 153 Q CB 0.561 29.167 28.738 -0.221 0.000 1.480 153 Q HN 0.367 nan 8.270 nan 0.000 0.442 154 G N 1.391 110.189 108.800 -0.003 0.000 2.404 154 G HA2 0.169 4.129 3.960 0.001 0.000 0.298 154 G HA3 0.169 4.129 3.960 0.001 0.000 0.298 154 G C -3.291 171.611 174.900 0.003 0.000 1.577 154 G CA -0.983 44.124 45.100 0.012 0.000 0.847 154 G HN -0.123 nan 8.290 nan 0.000 0.598 155 P HA 0.285 nan 4.420 nan 0.000 0.271 155 P C 0.928 178.223 177.300 -0.009 0.000 1.216 155 P CA -0.069 63.032 63.100 0.002 0.000 0.776 155 P CB 1.155 32.853 31.700 -0.003 0.000 0.881 156 c N 1.207 119.804 118.600 -0.004 0.000 3.626 156 c HA 0.162 4.732 4.570 0.001 0.000 0.276 156 c C 1.762 175.849 174.090 -0.004 0.000 1.694 156 c CA -0.299 56.015 56.329 -0.025 0.000 1.785 156 c CB -0.758 41.714 42.510 -0.063 0.000 3.152 156 c HN 0.484 nan 8.230 nan 0.000 0.571 157 Q N 2.189 121.998 119.800 0.014 0.000 2.226 157 Q HA -0.138 4.203 4.340 0.001 0.000 0.204 157 Q C 0.824 176.837 176.000 0.022 0.000 0.975 157 Q CA 1.878 57.697 55.803 0.026 0.000 0.866 157 Q CB -0.869 27.885 28.738 0.028 0.000 0.915 157 Q HN 0.863 nan 8.270 nan 0.000 0.440 158 N N 0.183 118.890 118.700 0.012 0.000 2.280 158 N HA 0.207 4.948 4.740 0.001 0.000 0.192 158 N C -0.070 175.452 175.510 0.019 0.000 1.109 158 N CA -0.301 52.760 53.050 0.019 0.000 0.855 158 N CB 0.416 38.911 38.487 0.014 0.000 0.974 158 N HN 0.106 nan 8.380 nan 0.000 0.482 159 L N 0.698 121.918 121.223 -0.004 0.000 2.453 159 L HA 0.236 4.577 4.340 0.001 0.000 0.261 159 L C 0.522 177.378 176.870 -0.024 0.000 1.179 159 L CA -0.011 54.815 54.840 -0.024 0.000 0.813 159 L CB 0.650 42.657 42.059 -0.087 0.000 1.110 159 L HN -0.019 nan 8.230 nan 0.000 0.466 160 T N -0.117 114.414 114.554 -0.039 0.000 2.806 160 T HA 0.137 4.487 4.350 0.001 0.000 0.290 160 T C 0.509 175.084 174.700 -0.208 0.000 0.966 160 T CA -0.430 61.642 62.100 -0.046 0.000 1.060 160 T CB 1.257 70.163 68.868 0.064 0.000 0.927 160 T HN 0.670 nan 8.240 nan 0.000 0.485 161 c N 2.824 121.327 118.600 -0.162 0.000 2.609 161 c HA 0.437 5.007 4.570 0.001 0.000 0.305 161 c C -0.178 173.499 174.090 -0.689 0.000 1.319 161 c CA -0.275 55.821 56.329 -0.389 0.000 1.793 161 c CB -0.433 41.926 42.510 -0.251 0.000 2.260 161 c HN 0.797 nan 8.230 nan 0.000 0.535 162 F N 1.998 121.940 119.950 -0.015 0.000 2.562 162 F HA 0.429 4.956 4.527 0.000 0.000 0.319 162 F C -2.291 173.511 175.800 0.002 0.000 1.154 162 F CA -2.603 55.394 58.000 -0.006 0.000 0.931 162 F CB 0.998 40.013 39.000 0.025 0.000 1.198 162 F HN -0.104 nan 8.300 nan 0.000 0.444 163 P HA 0.148 nan 4.420 nan 0.000 0.274 163 P C -2.208 175.194 177.300 0.170 0.000 1.237 163 P CA -1.136 62.069 63.100 0.176 0.000 0.793 163 P CB 1.213 33.031 31.700 0.196 0.000 0.977 164 P HA 0.046 nan 4.420 nan 0.000 0.221 164 P C 0.551 177.962 177.300 0.185 0.000 1.155 164 P CA 1.132 64.339 63.100 0.178 0.000 0.812 164 P CB 0.258 32.030 31.700 0.119 0.000 0.801 165 A N -1.090 121.817 122.820 0.146 0.000 2.602 165 A HA 0.294 4.615 4.320 0.001 0.000 0.238 165 A C 0.089 177.746 177.584 0.122 0.000 0.863 165 A CA -0.208 51.911 52.037 0.137 0.000 1.148 165 A CB -0.725 18.343 19.000 0.113 0.000 1.227 165 A HN -0.029 nan 8.150 nan 0.000 0.460 166 T N 4.100 118.743 114.554 0.148 0.000 2.752 166 T HA 0.414 4.764 4.350 0.001 0.000 0.295 166 T C -2.582 172.214 174.700 0.160 0.000 0.923 166 T CA -0.607 61.594 62.100 0.167 0.000 1.112 166 T CB 0.658 69.664 68.868 0.229 0.000 0.884 166 T HN 0.313 nan 8.240 nan 0.000 0.525 167 P HA 0.249 nan 4.420 nan 0.000 0.274 167 P C -0.098 177.260 177.300 0.097 0.000 1.231 167 P CA -0.827 62.326 63.100 0.087 0.000 0.790 167 P CB 0.383 32.128 31.700 0.075 0.000 0.951 168 c N 2.604 121.228 118.600 0.041 0.000 2.597 168 c HA 0.048 4.618 4.570 0.001 0.000 0.412 168 c C 1.129 175.269 174.090 0.085 0.000 1.348 168 c CA 0.059 56.408 56.329 0.034 0.000 1.769 168 c CB -1.144 41.336 42.510 -0.050 0.000 2.641 168 c HN 0.649 nan 8.230 nan 0.000 0.612 169 D N 0.872 121.353 120.400 0.134 0.000 2.264 169 D HA 0.353 4.993 4.640 0.001 0.000 0.249 169 D C 0.969 177.412 176.300 0.237 0.000 1.070 169 D CA 0.394 54.505 54.000 0.184 0.000 0.912 169 D CB 1.020 41.944 40.800 0.206 0.000 1.193 169 D HN 1.003 nan 8.370 nan 0.000 0.427 170 G N 1.044 109.957 108.800 0.189 0.000 2.186 170 G HA2 -0.216 3.745 3.960 0.001 0.000 0.266 170 G HA3 -0.216 3.745 3.960 0.001 0.000 0.266 170 G C 1.185 176.191 174.900 0.178 0.000 0.982 170 G CA 0.886 46.099 45.100 0.188 0.000 0.670 170 G HN 1.726 nan 8.290 nan 0.000 0.533 171 G N -1.924 106.956 108.800 0.134 0.000 2.267 171 G HA2 -0.162 3.799 3.960 0.001 0.000 0.257 171 G HA3 -0.162 3.799 3.960 0.001 0.000 0.257 171 G C 1.836 176.806 174.900 0.117 0.000 0.998 171 G CA 1.286 46.449 45.100 0.104 0.000 0.620 171 G HN 2.140 nan 8.290 nan 0.000 0.529 172 c N -0.477 118.255 118.600 0.220 0.000 0.168 172 c HA -0.122 4.448 4.570 0.001 0.000 0.017 172 c C 0.726 174.888 174.090 0.120 0.000 0.171 172 c CA 0.489 56.946 56.329 0.214 0.000 0.499 172 c CB -1.241 41.317 42.510 0.081 0.000 3.212 172 c HN 0.838 nan 8.230 nan 0.000 1.118 173 D N 1.410 121.860 120.400 0.084 0.000 2.382 173 D HA 0.421 5.062 4.640 0.001 0.000 0.245 173 D C 0.162 176.476 176.300 0.024 0.000 1.120 173 D CA 0.339 54.365 54.000 0.044 0.000 0.890 173 D CB 0.320 41.131 40.800 0.017 0.000 1.201 173 D HN 0.333 nan 8.370 nan 0.000 0.433 174 Q N -0.131 119.679 119.800 0.018 0.000 2.257 174 Q HA 0.556 4.896 4.340 0.001 0.000 0.262 174 Q C 0.981 176.982 176.000 0.002 0.000 0.997 174 Q CA -0.691 55.118 55.803 0.010 0.000 0.873 174 Q CB 1.801 30.546 28.738 0.013 0.000 1.312 174 Q HN 0.722 nan 8.270 nan 0.000 0.450 175 G N 0.784 109.584 108.800 -0.001 0.000 2.132 175 G HA2 -0.195 3.765 3.960 0.001 0.000 0.234 175 G HA3 -0.195 3.765 3.960 0.001 0.000 0.234 175 G C -0.328 174.569 174.900 -0.005 0.000 0.989 175 G CA 0.042 45.140 45.100 -0.003 0.000 0.676 175 G HN 0.338 nan 8.290 nan 0.000 0.522 176 L N -0.665 120.555 121.223 -0.005 0.000 2.350 176 L HA 0.679 5.020 4.340 0.001 0.000 0.260 176 L C 0.927 177.803 176.870 0.009 0.000 1.015 176 L CA -1.460 53.379 54.840 -0.002 0.000 0.821 176 L CB 2.043 44.092 42.059 -0.016 0.000 1.370 176 L HN -0.044 nan 8.230 nan 0.000 0.416 177 V N 2.719 122.649 119.914 0.028 0.000 2.901 177 V HA 0.034 4.154 4.120 0.001 0.000 0.307 177 V C -1.784 174.342 176.094 0.053 0.000 1.084 177 V CA -0.661 61.665 62.300 0.044 0.000 1.184 177 V CB 0.961 32.828 31.823 0.073 0.000 0.941 177 V HN 0.579 nan 8.190 nan 0.000 0.493 178 P HA 0.104 nan 4.420 nan 0.000 0.271 178 P C -0.337 177.001 177.300 0.063 0.000 1.238 178 P CA -0.243 62.878 63.100 0.036 0.000 0.794 178 P CB 0.395 32.110 31.700 0.025 0.000 0.959 179 I N 3.304 123.896 120.570 0.038 0.000 2.587 179 I HA 0.104 4.275 4.170 0.001 0.000 0.284 179 I C -1.908 174.192 176.117 -0.029 0.000 1.134 179 I CA -1.473 59.844 61.300 0.027 0.000 1.410 179 I CB 0.360 38.348 38.000 -0.020 0.000 1.392 179 I HN 0.228 nan 8.210 nan 0.000 0.545 180 P HA 0.182 nan 4.420 nan 0.000 0.297 180 P C -0.996 176.225 177.300 -0.132 0.000 1.319 180 P CA -0.640 62.415 63.100 -0.074 0.000 0.810 180 P CB 1.508 33.175 31.700 -0.055 0.000 0.947 181 L N 5.151 126.297 121.223 -0.129 0.000 2.290 181 L HA 0.347 4.687 4.340 0.001 0.000 0.284 181 L C -0.841 175.924 176.870 -0.176 0.000 1.078 181 L CA -0.108 54.637 54.840 -0.159 0.000 0.815 181 L CB -0.051 41.919 42.059 -0.147 0.000 1.162 181 L HN 0.260 nan 8.230 nan 0.000 0.435 182 L N 5.115 126.179 121.223 -0.265 0.000 2.334 182 L HA 0.823 5.164 4.340 0.001 0.000 0.273 182 L C -0.268 176.334 176.870 -0.447 0.000 1.013 182 L CA -0.898 53.763 54.840 -0.298 0.000 0.816 182 L CB 1.801 43.692 42.059 -0.279 0.000 1.278 182 L HN 0.762 nan 8.230 nan 0.000 0.431 183 A N 2.472 125.127 122.820 -0.276 0.000 2.363 183 A HA 0.546 4.867 4.320 0.001 0.000 0.296 183 A C 0.060 177.578 177.584 -0.111 0.000 1.237 183 A CA -0.518 51.386 52.037 -0.223 0.000 0.773 183 A CB 0.450 19.382 19.000 -0.113 0.000 1.153 183 A HN 0.917 nan 8.150 nan 0.000 0.473 184 N N 0.367 119.026 118.700 -0.068 0.000 1.241 184 N HA -0.257 4.483 4.740 0.001 0.000 0.135 184 N C 0.521 176.057 175.510 0.045 0.000 0.723 184 N CA 2.069 55.162 53.050 0.072 0.000 0.950 184 N CB -0.896 37.622 38.487 0.051 0.000 1.215 184 N HN 0.685 nan 8.380 nan 0.000 0.520 185 L N 0.147 121.374 121.223 0.008 0.000 2.728 185 L HA 0.355 4.695 4.340 0.001 0.000 0.235 185 L C 0.020 176.890 176.870 -0.000 0.000 1.197 185 L CA 0.028 54.874 54.840 0.009 0.000 0.992 185 L CB 0.117 42.187 42.059 0.019 0.000 1.263 185 L HN 0.096 nan 8.230 nan 0.000 0.484 186 S N -0.065 115.620 115.700 -0.026 0.000 2.513 186 S HA 0.418 4.889 4.470 0.001 0.000 0.299 186 S C 0.139 174.709 174.600 -0.050 0.000 1.087 186 S CA -0.521 57.663 58.200 -0.027 0.000 1.012 186 S CB 2.799 65.986 63.200 -0.022 0.000 1.044 186 S HN -0.089 nan 8.310 nan 0.000 0.485 187 V N 3.383 123.277 119.914 -0.033 0.000 2.400 187 V HA 0.019 4.139 4.120 0.001 0.000 0.263 187 V C 1.529 177.590 176.094 -0.055 0.000 1.026 187 V CA 0.401 62.675 62.300 -0.044 0.000 1.077 187 V CB -0.328 31.483 31.823 -0.019 0.000 1.054 187 V HN 1.012 nan 8.190 nan 0.000 0.477 188 E N 3.774 123.927 120.200 -0.078 0.000 2.418 188 E HA 0.250 4.600 4.350 0.001 0.000 0.197 188 E C 0.561 177.122 176.600 -0.065 0.000 1.026 188 E CA 0.880 57.237 56.400 -0.071 0.000 0.862 188 E CB 0.274 29.920 29.700 -0.089 0.000 0.799 188 E HN 0.891 nan 8.360 nan 0.000 0.518 189 A N 0.337 123.119 122.820 -0.062 0.000 2.586 189 A HA 0.408 4.729 4.320 0.001 0.000 0.296 189 A C -1.581 175.980 177.584 -0.038 0.000 1.040 189 A CA -0.463 51.544 52.037 -0.051 0.000 0.701 189 A CB 1.009 19.976 19.000 -0.055 0.000 1.277 189 A HN 0.108 nan 8.150 nan 0.000 0.413 190 Q N 1.755 121.549 119.800 -0.010 0.000 2.821 190 Q HA 0.419 4.760 4.340 0.001 0.000 0.217 190 Q C -3.177 172.863 176.000 0.067 0.000 0.775 190 Q CA -1.104 54.709 55.803 0.017 0.000 0.930 190 Q CB 2.638 31.394 28.738 0.031 0.000 1.511 190 Q HN 0.565 nan 8.270 nan 0.000 0.457 191 P HA 0.494 nan 4.420 nan 0.000 0.284 191 P C -2.667 174.618 177.300 -0.024 0.000 1.287 191 P CA -1.523 61.570 63.100 -0.011 0.000 0.824 191 P CB 1.177 32.863 31.700 -0.024 0.000 1.180 192 P HA 0.073 nan 4.420 nan 0.000 0.275 192 P C -1.021 176.262 177.300 -0.029 0.000 1.266 192 P CA -0.176 62.880 63.100 -0.072 0.000 0.793 192 P CB 0.520 32.120 31.700 -0.167 0.000 1.074 193 W N 1.791 122.974 121.300 -0.197 0.000 2.308 193 W HA 0.272 4.932 4.660 0.001 0.000 0.311 193 W C 0.788 177.153 176.519 -0.257 0.000 1.088 193 W CA -0.270 56.964 57.345 -0.185 0.000 1.309 193 W CB -0.229 29.156 29.460 -0.126 0.000 1.229 193 W HN 0.205 nan 8.180 nan 0.000 0.427 194 L N 7.474 128.252 121.223 -0.741 0.000 2.083 194 L HA -0.076 4.264 4.340 0.001 0.000 0.209 194 L C -0.445 175.978 176.870 -0.746 0.000 1.083 194 L CA 0.911 55.212 54.840 -0.897 0.000 0.752 194 L CB -1.679 39.644 42.059 -1.228 0.000 0.899 194 L HN 0.266 nan 8.230 nan 0.000 0.433 195 P HA -0.106 nan 4.420 nan 0.000 0.228 195 P C 1.280 178.278 177.300 -0.503 0.000 1.151 195 P CA 1.464 64.081 63.100 -0.805 0.000 0.770 195 P CB -0.088 30.906 31.700 -1.177 0.000 0.786 196 G N -1.565 107.009 108.800 -0.376 0.000 3.020 196 G HA2 0.007 3.968 3.960 0.001 0.000 0.217 196 G HA3 0.007 3.968 3.960 0.001 0.000 0.217 196 G C 1.288 176.133 174.900 -0.093 0.000 1.144 196 G CA -0.184 44.920 45.100 0.007 0.000 0.760 196 G HN 0.174 nan 8.290 nan 0.000 0.548 197 L N 0.286 121.365 121.223 -0.240 0.000 2.013 197 L HA -0.160 4.181 4.340 0.001 0.000 0.212 197 L C 2.830 179.451 176.870 -0.416 0.000 1.073 197 L CA 1.841 56.408 54.840 -0.456 0.000 0.753 197 L CB -0.191 41.564 42.059 -0.506 0.000 0.890 197 L HN 0.332 nan 8.230 nan 0.000 0.432 198 E N 0.164 120.293 120.200 -0.118 0.000 2.035 198 E HA -0.315 4.035 4.350 0.001 0.000 0.204 198 E C 2.056 178.676 176.600 0.033 0.000 1.025 198 E CA 1.870 58.292 56.400 0.037 0.000 0.835 198 E CB -0.053 29.732 29.700 0.141 0.000 0.764 198 E HN 0.487 nan 8.360 nan 0.000 0.457 199 A N 1.528 124.368 122.820 0.034 0.000 1.903 199 A HA -0.275 4.046 4.320 0.001 0.000 0.219 199 A C 2.261 179.865 177.584 0.033 0.000 1.191 199 A CA 2.224 54.287 52.037 0.043 0.000 0.638 199 A CB -0.711 18.319 19.000 0.049 0.000 0.823 199 A HN 0.297 nan 8.150 nan 0.000 0.451 200 R N -1.938 118.548 120.500 -0.024 0.000 2.083 200 R HA -0.162 4.179 4.340 0.001 0.000 0.237 200 R C 2.111 178.495 176.300 0.140 0.000 1.137 200 R CA 1.791 57.895 56.100 0.006 0.000 0.951 200 R CB -0.569 29.675 30.300 -0.093 0.000 0.851 200 R HN 0.639 nan 8.270 nan 0.000 0.434 201 Y N 0.210 120.518 120.300 0.013 0.000 2.242 201 Y HA -0.111 4.440 4.550 0.001 0.000 0.291 201 Y C 2.359 178.264 175.900 0.009 0.000 1.137 201 Y CA 0.640 58.740 58.100 -0.001 0.000 1.181 201 Y CB -0.437 38.030 38.460 0.012 0.000 0.989 201 Y HN -0.015 nan 8.280 nan 0.000 0.527 202 M N -0.358 119.320 119.600 0.130 0.000 2.086 202 M HA -0.156 4.325 4.480 0.001 0.000 0.261 202 M C 2.487 178.846 176.300 0.097 0.000 1.067 202 M CA 1.633 56.964 55.300 0.050 0.000 1.116 202 M CB -1.639 30.979 32.600 0.029 0.000 1.348 202 M HN 0.240 nan 8.290 nan 0.000 0.407 203 A N -0.267 122.620 122.820 0.112 0.000 1.883 203 A HA -0.230 4.091 4.320 0.001 0.000 0.217 203 A C 2.164 179.841 177.584 0.154 0.000 1.186 203 A CA 1.765 53.867 52.037 0.109 0.000 0.624 203 A CB -1.275 17.773 19.000 0.080 0.000 0.822 203 A HN 0.474 nan 8.150 nan 0.000 0.444 204 F N 1.046 121.017 119.950 0.034 0.000 2.126 204 F HA -0.122 4.405 4.527 0.001 0.000 0.299 204 F C 2.406 178.193 175.800 -0.022 0.000 1.096 204 F CA 1.348 59.356 58.000 0.014 0.000 1.255 204 F CB -0.387 38.626 39.000 0.023 0.000 0.997 204 F HN 0.259 nan 8.300 nan 0.000 0.479 205 A N 0.058 122.946 122.820 0.114 0.000 1.841 205 A HA -0.228 4.093 4.320 0.001 0.000 0.214 205 A C 2.397 179.870 177.584 -0.185 0.000 1.195 205 A CA 1.641 53.645 52.037 -0.055 0.000 0.611 205 A CB -1.658 17.326 19.000 -0.028 0.000 0.835 205 A HN 0.660 nan 8.150 nan 0.000 0.443 206 H N 0.322 119.303 119.070 -0.148 0.000 2.289 206 H HA -0.199 4.357 4.556 0.001 0.000 0.294 206 H C 1.513 176.726 175.328 -0.192 0.000 1.095 206 H CA 2.343 58.299 56.048 -0.154 0.000 1.256 206 H CB -0.212 29.498 29.762 -0.086 0.000 1.359 206 H HN 0.408 nan 8.280 nan 0.000 0.487 207 D N 0.640 120.987 120.400 -0.088 0.000 2.123 207 D HA -0.152 4.488 4.640 0.001 0.000 0.196 207 D C 2.469 178.580 176.300 -0.315 0.000 0.992 207 D CA 0.929 54.834 54.000 -0.158 0.000 0.833 207 D CB -0.607 40.119 40.800 -0.123 0.000 0.954 207 D HN 0.346 nan 8.370 nan 0.000 0.455 208 L N -0.130 120.833 121.223 -0.433 0.000 2.131 208 L HA -0.116 4.225 4.340 0.001 0.000 0.210 208 L C 2.160 178.769 176.870 -0.434 0.000 1.092 208 L CA 1.284 55.869 54.840 -0.425 0.000 0.759 208 L CB -0.174 41.581 42.059 -0.506 0.000 0.903 208 L HN -0.016 nan 8.230 nan 0.000 0.435 209 M N -1.025 118.206 119.600 -0.615 0.000 2.062 209 M HA -0.150 4.330 4.480 0.001 0.000 0.259 209 M C 2.419 178.454 176.300 -0.443 0.000 1.076 209 M CA 1.732 56.522 55.300 -0.850 0.000 1.122 209 M CB -0.714 31.319 32.600 -0.946 0.000 1.312 209 M HN 0.434 nan 8.290 nan 0.000 0.412 210 A N 1.048 123.606 122.820 -0.437 0.000 1.859 210 A HA -0.249 4.071 4.320 0.001 0.000 0.217 210 A C 1.651 179.136 177.584 -0.164 0.000 1.198 210 A CA 2.429 54.299 52.037 -0.278 0.000 0.629 210 A CB -1.189 17.593 19.000 -0.363 0.000 0.830 210 A HN 0.489 nan 8.150 nan 0.000 0.446 211 D N 0.205 120.513 120.400 -0.153 0.000 2.154 211 D HA -0.217 4.423 4.640 0.001 0.000 0.190 211 D C 2.143 178.408 176.300 -0.057 0.000 1.003 211 D CA 2.017 55.962 54.000 -0.091 0.000 0.849 211 D CB -0.800 39.945 40.800 -0.091 0.000 0.942 211 D HN 0.495 nan 8.370 nan 0.000 0.446 212 A N 0.521 123.318 122.820 -0.040 0.000 1.908 212 A HA -0.293 4.028 4.320 0.001 0.000 0.218 212 A C 2.164 179.776 177.584 0.048 0.000 1.181 212 A CA 2.080 54.145 52.037 0.047 0.000 0.627 212 A CB -0.769 18.346 19.000 0.192 0.000 0.818 212 A HN 0.282 nan 8.150 nan 0.000 0.445 213 Q N -1.171 118.646 119.800 0.029 0.000 1.948 213 Q HA -0.281 4.059 4.340 0.001 0.000 0.205 213 Q C 2.596 178.600 176.000 0.007 0.000 0.992 213 Q CA 2.910 58.730 55.803 0.029 0.000 0.849 213 Q CB -0.391 28.353 28.738 0.010 0.000 0.918 213 Q HN 0.658 nan 8.270 nan 0.000 0.421 214 R N 1.162 121.655 120.500 -0.011 0.000 2.259 214 R HA -0.271 4.069 4.340 0.001 0.000 0.247 214 R C 1.583 177.878 176.300 -0.009 0.000 1.114 214 R CA 2.510 58.602 56.100 -0.013 0.000 0.926 214 R CB -2.167 nan 30.300 nan 0.000 0.937 214 R HN 0.706 nan 8.270 nan 0.000 0.434 215 E N -0.170 120.024 120.200 -0.010 0.000 2.365 215 E HA 0.327 4.678 4.350 0.001 0.000 0.188 215 E C 0.601 177.195 176.600 -0.010 0.000 1.102 215 E CA 0.449 56.842 56.400 -0.011 0.000 0.927 215 E CB -0.621 29.069 29.700 -0.016 0.000 1.073 215 E HN 0.809 nan 8.360 nan 0.000 0.467 216 D N 1.842 122.239 120.400 -0.004 0.000 2.751 216 D HA -0.241 4.399 4.640 0.001 0.000 0.233 216 D C 0.100 176.387 176.300 -0.023 0.000 1.149 216 D CA 1.539 55.534 54.000 -0.008 0.000 0.682 216 D CB -1.933 nan 40.800 nan 0.000 1.068 216 D HN 0.474 nan 8.370 nan 0.000 0.429 217 R N -1.503 118.985 120.500 -0.020 0.000 2.750 217 R HA 0.782 5.123 4.340 0.001 0.000 0.281 217 R C -3.242 173.008 176.300 -0.083 0.000 0.972 217 R CA -1.951 54.112 56.100 -0.062 0.000 0.912 217 R CB 2.161 32.436 30.300 -0.041 0.000 1.187 217 R HN 0.136 nan 8.270 nan 0.000 0.464 218 P HA 0.051 nan 4.420 nan 0.000 0.271 218 P C -0.964 176.209 177.300 -0.212 0.000 1.216 218 P CA -0.134 62.707 63.100 -0.432 0.000 0.771 218 P CB 0.335 31.500 31.700 -0.891 0.000 0.864 219 F N 1.650 121.617 119.950 0.029 0.000 2.450 219 F HA 0.710 5.238 4.527 0.001 0.000 0.328 219 F C -0.732 175.356 175.800 0.480 0.000 1.068 219 F CA -1.643 56.490 58.000 0.222 0.000 1.007 219 F CB 0.681 39.752 39.000 0.119 0.000 1.251 219 F HN 0.134 nan 8.300 nan 0.000 0.492 220 F N 4.201 124.438 119.950 0.478 0.000 2.532 220 F HA 0.552 5.079 4.527 0.001 0.000 0.365 220 F C -1.754 174.295 175.800 0.414 0.000 1.112 220 F CA -1.892 56.289 58.000 0.302 0.000 1.082 220 F CB 0.964 40.019 39.000 0.092 0.000 1.319 220 F HN 0.568 nan 8.300 nan 0.000 0.457 221 L N 7.352 128.646 121.223 0.119 0.000 2.275 221 L HA 0.394 4.734 4.340 0.001 0.000 0.288 221 L C -1.805 174.920 176.870 -0.242 0.000 1.046 221 L CA -0.493 54.334 54.840 -0.021 0.000 0.805 221 L CB 0.741 42.904 42.059 0.174 0.000 1.193 221 L HN 0.542 nan 8.230 nan 0.000 0.426 222 Y N 6.115 126.173 120.300 -0.404 0.000 2.593 222 Y HA 0.283 4.834 4.550 0.001 0.000 0.331 222 Y C -1.422 174.453 175.900 -0.042 0.000 0.986 222 Y CA -1.189 56.761 58.100 -0.249 0.000 1.262 222 Y CB 0.246 38.581 38.460 -0.209 0.000 1.098 222 Y HN 0.612 nan 8.280 nan 0.000 0.506 223 Y N 5.515 125.683 120.300 -0.221 0.000 2.676 223 Y HA 0.604 5.155 4.550 0.001 0.000 0.338 223 Y C -0.429 175.224 175.900 -0.412 0.000 1.057 223 Y CA -1.815 56.105 58.100 -0.301 0.000 1.314 223 Y CB 0.112 38.526 38.460 -0.077 0.000 1.164 223 Y HN 0.679 nan 8.280 nan 0.000 0.509 224 A N 4.755 127.037 122.820 -0.896 0.000 2.923 224 A HA 0.377 4.697 4.320 0.001 0.000 0.306 224 A C 0.616 177.736 177.584 -0.774 0.000 1.542 224 A CA -0.148 51.435 52.037 -0.757 0.000 1.225 224 A CB -0.590 17.979 19.000 -0.719 0.000 1.147 224 A HN 0.658 nan 8.150 nan 0.000 0.542 225 S N 0.496 115.677 115.700 -0.866 0.000 2.580 225 S HA 0.090 4.561 4.470 0.001 0.000 0.266 225 S C 1.082 175.368 174.600 -0.523 0.000 1.354 225 S CA 0.169 57.943 58.200 -0.710 0.000 1.008 225 S CB 0.204 63.063 63.200 -0.568 0.000 0.898 225 S HN 0.739 nan 8.310 nan 0.000 0.555 226 H N 0.313 119.266 119.070 -0.195 0.000 2.497 226 H HA 0.214 4.770 4.556 0.001 0.000 0.282 226 H C 0.257 175.558 175.328 -0.046 0.000 1.003 226 H CA 0.403 56.397 56.048 -0.089 0.000 1.307 226 H CB 0.051 29.725 29.762 -0.147 0.000 1.437 226 H HN 0.520 nan 8.280 nan 0.000 0.544 227 H N 0.576 119.606 119.070 -0.066 0.000 2.707 227 H HA 0.054 4.610 4.556 0.001 0.000 0.359 227 H C 0.780 176.054 175.328 -0.090 0.000 1.113 227 H CA 0.490 56.441 56.048 -0.162 0.000 1.422 227 H CB 0.746 30.337 29.762 -0.285 0.000 1.443 227 H HN 0.242 nan 8.280 nan 0.000 0.591 228 T N -0.376 114.213 114.554 0.057 0.000 3.221 228 T HA 0.041 4.392 4.350 0.001 0.000 0.246 228 T C 0.448 175.257 174.700 0.181 0.000 0.952 228 T CA -0.676 61.407 62.100 -0.028 0.000 0.994 228 T CB -0.503 68.123 68.868 -0.405 0.000 1.127 228 T HN 0.487 nan 8.240 nan 0.000 0.549 229 H N 1.651 120.863 119.070 0.236 0.000 2.690 229 H HA 0.167 4.724 4.556 0.001 0.000 0.365 229 H C -0.447 175.083 175.328 0.336 0.000 1.142 229 H CA -0.443 55.779 56.048 0.291 0.000 1.417 229 H CB 0.507 30.448 29.762 0.299 0.000 1.446 229 H HN 0.560 nan 8.280 nan 0.000 0.599 230 Y N 5.515 125.960 120.300 0.242 0.000 2.511 230 Y HA 0.211 4.762 4.550 0.001 0.000 0.332 230 Y C -2.439 173.543 175.900 0.136 0.000 1.177 230 Y CA -1.798 56.440 58.100 0.229 0.000 1.422 230 Y CB 0.530 39.039 38.460 0.082 0.000 1.271 230 Y HN 0.448 nan 8.280 nan 0.000 0.550 231 P HA 0.131 nan 4.420 nan 0.000 0.282 231 P C -1.333 176.117 177.300 0.250 0.000 1.259 231 P CA -0.484 62.355 63.100 -0.436 0.000 0.826 231 P CB 0.969 32.384 31.700 -0.475 0.000 1.064 232 Q N 1.346 121.291 119.800 0.243 0.000 2.340 232 Q HA 0.445 4.785 4.340 0.001 0.000 0.249 232 Q C -0.198 175.840 176.000 0.063 0.000 0.957 232 Q CA 0.295 56.239 55.803 0.236 0.000 0.882 232 Q CB 0.232 29.144 28.738 0.291 0.000 1.235 232 Q HN 0.543 nan 8.270 nan 0.000 0.439 233 F N -2.081 117.688 119.950 -0.302 0.000 2.668 233 F HA 0.736 5.263 4.527 0.000 0.000 0.309 233 F C -0.788 174.761 175.800 -0.419 0.000 1.117 233 F CA -0.963 56.538 58.000 -0.833 0.000 0.951 233 F CB 1.286 39.950 39.000 -0.559 0.000 1.323 233 F HN 0.549 nan 8.300 nan 0.000 0.451 234 S N 0.340 115.833 115.700 -0.345 0.000 2.636 234 S HA 0.826 5.297 4.470 0.001 0.000 0.268 234 S C -0.676 173.986 174.600 0.103 0.000 1.159 234 S CA -0.465 57.752 58.200 0.028 0.000 0.815 234 S CB 0.950 64.249 63.200 0.164 0.000 1.130 234 S HN 1.583 nan 8.310 nan 0.000 0.471 235 G N -0.383 108.538 108.800 0.202 0.000 2.580 235 G HA2 0.411 4.372 3.960 0.001 0.000 0.278 235 G HA3 0.411 4.372 3.960 0.001 0.000 0.278 235 G C 0.433 175.387 174.900 0.090 0.000 1.212 235 G CA 0.009 45.165 45.100 0.093 0.000 0.939 235 G HN 0.936 nan 8.290 nan 0.000 0.513 236 Q N -0.526 119.290 119.800 0.027 0.000 2.226 236 Q HA -0.139 4.201 4.340 0.001 0.000 0.204 236 Q C 2.248 178.170 176.000 -0.130 0.000 0.975 236 Q CA 2.291 58.096 55.803 0.003 0.000 0.866 236 Q CB -0.179 28.576 28.738 0.029 0.000 0.915 236 Q HN 0.507 nan 8.270 nan 0.000 0.440 237 S N -0.968 114.524 115.700 -0.346 0.000 2.555 237 S HA -0.006 4.464 4.470 0.001 0.000 0.230 237 S C 0.741 174.820 174.600 -0.868 0.000 0.978 237 S CA 0.533 58.354 58.200 -0.631 0.000 0.934 237 S CB -0.110 62.610 63.200 -0.800 0.000 0.766 237 S HN 0.429 nan 8.310 nan 0.000 0.533 238 F N 1.301 121.269 119.950 0.030 0.000 2.752 238 F HA 0.530 5.057 4.527 0.001 0.000 0.310 238 F C 1.294 177.109 175.800 0.025 0.000 1.097 238 F CA -1.066 56.942 58.000 0.013 0.000 1.238 238 F CB -0.612 38.383 39.000 -0.008 0.000 1.061 238 F HN 0.104 nan 8.300 nan 0.000 0.591 239 A N 1.046 123.971 122.820 0.175 0.000 2.561 239 A HA 0.176 4.497 4.320 0.001 0.000 0.251 239 A C 0.987 178.573 177.584 0.003 0.000 1.062 239 A CA 0.355 52.473 52.037 0.135 0.000 0.761 239 A CB -0.587 18.517 19.000 0.174 0.000 0.986 239 A HN 0.552 nan 8.150 nan 0.000 0.510 240 E N -0.412 119.739 120.200 -0.083 0.000 2.791 240 E HA -0.295 4.056 4.350 0.001 0.000 0.271 240 E C 0.963 177.550 176.600 -0.022 0.000 1.044 240 E CA 1.580 57.935 56.400 -0.075 0.000 0.814 240 E CB -1.483 28.175 29.700 -0.070 0.000 1.400 240 E HN 1.051 nan 8.360 nan 0.000 0.423 241 R N -0.332 120.176 120.500 0.013 0.000 2.513 241 R HA 0.292 4.633 4.340 0.001 0.000 0.245 241 R C 0.839 177.165 176.300 0.042 0.000 0.908 241 R CA 0.729 56.847 56.100 0.031 0.000 1.023 241 R CB 0.089 30.421 30.300 0.055 0.000 1.338 241 R HN 0.358 nan 8.270 nan 0.000 0.575 242 S N -0.306 115.419 115.700 0.041 0.000 2.580 242 S HA 0.468 4.939 4.470 0.001 0.000 0.274 242 S C 0.958 175.569 174.600 0.019 0.000 1.329 242 S CA 0.036 58.252 58.200 0.027 0.000 1.036 242 S CB 1.598 64.799 63.200 0.000 0.000 0.919 242 S HN 0.627 nan 8.310 nan 0.000 0.515 243 G N 0.981 109.797 108.800 0.026 0.000 3.943 243 G HA2 0.273 4.233 3.960 0.001 0.000 0.275 243 G HA3 0.273 4.233 3.960 0.001 0.000 0.275 243 G C 0.456 175.376 174.900 0.033 0.000 1.234 243 G CA -0.700 44.414 45.100 0.024 0.000 1.522 243 G HN 0.764 nan 8.290 nan 0.000 0.636 244 R N 0.386 120.907 120.500 0.034 0.000 2.590 244 R HA 0.377 4.717 4.340 0.001 0.000 0.410 244 R C 1.002 177.333 176.300 0.052 0.000 1.010 244 R CA 0.499 56.633 56.100 0.055 0.000 1.155 244 R CB 0.221 30.560 30.300 0.066 0.000 1.455 244 R HN 0.607 nan 8.270 nan 0.000 0.567 245 G N 1.086 109.894 108.800 0.012 0.000 2.681 245 G HA2 -0.253 3.708 3.960 0.001 0.000 0.220 245 G HA3 -0.253 3.708 3.960 0.001 0.000 0.220 245 G C -2.051 172.829 174.900 -0.033 0.000 1.353 245 G CA -0.345 44.745 45.100 -0.017 0.000 0.872 245 G HN 0.055 nan 8.290 nan 0.000 0.557 246 P HA -0.034 nan 4.420 nan 0.000 0.216 246 P C 1.741 179.107 177.300 0.111 0.000 1.150 246 P CA 1.901 64.981 63.100 -0.034 0.000 0.837 246 P CB -0.075 31.666 31.700 0.067 0.000 0.786 247 F N 0.482 120.443 119.950 0.018 0.000 2.234 247 F HA -0.000 4.528 4.527 0.001 0.000 0.299 247 F C 2.143 177.903 175.800 -0.066 0.000 1.087 247 F CA 1.775 59.775 58.000 0.001 0.000 1.340 247 F CB -0.744 38.252 39.000 -0.007 0.000 1.031 247 F HN -0.138 nan 8.300 nan 0.000 0.500 248 G N -0.481 108.370 108.800 0.085 0.000 2.408 248 G HA2 -0.194 3.766 3.960 0.001 0.000 0.215 248 G HA3 -0.194 3.766 3.960 0.001 0.000 0.215 248 G C 1.291 176.110 174.900 -0.135 0.000 1.156 248 G CA 0.796 45.880 45.100 -0.028 0.000 0.793 248 G HN 0.265 nan 8.290 nan 0.000 0.535 249 D N 0.626 120.978 120.400 -0.079 0.000 2.104 249 D HA -0.134 4.507 4.640 0.001 0.000 0.194 249 D C 2.684 178.875 176.300 -0.182 0.000 0.994 249 D CA 1.463 55.444 54.000 -0.030 0.000 0.830 249 D CB -0.418 40.421 40.800 0.065 0.000 0.959 249 D HN 0.290 nan 8.370 nan 0.000 0.452 250 S N -0.316 115.218 115.700 -0.276 0.000 2.419 250 S HA -0.138 4.332 4.470 0.001 0.000 0.233 250 S C 1.788 175.843 174.600 -0.909 0.000 1.016 250 S CA 0.700 58.454 58.200 -0.743 0.000 0.974 250 S CB -0.110 62.701 63.200 -0.648 0.000 0.786 250 S HN 0.228 nan 8.310 nan 0.000 0.492 251 L N 0.696 121.547 121.223 -0.619 0.000 2.202 251 L HA 0.373 4.713 4.340 0.001 0.000 0.205 251 L C 2.260 178.890 176.870 -0.401 0.000 1.083 251 L CA 1.611 56.152 54.840 -0.500 0.000 0.790 251 L CB -0.646 41.182 42.059 -0.386 0.000 0.942 251 L HN 0.412 nan 8.230 nan 0.000 0.452 252 M N -0.446 118.932 119.600 -0.370 0.000 2.149 252 M HA -0.267 4.214 4.480 0.001 0.000 0.261 252 M C 2.190 178.060 176.300 -0.718 0.000 1.064 252 M CA 2.222 57.305 55.300 -0.361 0.000 1.102 252 M CB -0.136 32.355 32.600 -0.181 0.000 1.369 252 M HN 0.504 nan 8.290 nan 0.000 0.408 253 E N 0.179 119.816 120.200 -0.938 0.000 2.072 253 E HA -0.211 4.139 4.350 0.001 0.000 0.191 253 E C 2.052 178.345 176.600 -0.512 0.000 0.985 253 E CA 1.063 56.769 56.400 -1.157 0.000 0.801 253 E CB -0.203 29.059 29.700 -0.731 0.000 0.750 253 E HN 0.620 nan 8.360 nan 0.000 0.452 254 L N 0.791 121.827 121.223 -0.311 0.000 2.131 254 L HA -0.199 4.141 4.340 0.001 0.000 0.210 254 L C 1.942 178.769 176.870 -0.070 0.000 1.092 254 L CA 2.002 56.827 54.840 -0.024 0.000 0.759 254 L CB -0.235 41.819 42.059 -0.010 0.000 0.903 254 L HN 0.242 nan 8.230 nan 0.000 0.435 255 D N -0.654 119.626 120.400 -0.200 0.000 2.149 255 D HA -0.132 4.508 4.640 0.001 0.000 0.201 255 D C 2.084 178.294 176.300 -0.150 0.000 0.972 255 D CA 1.120 55.009 54.000 -0.184 0.000 0.835 255 D CB 0.235 40.916 40.800 -0.199 0.000 0.966 255 D HN 0.358 nan 8.370 nan 0.000 0.476 256 A N 0.249 122.938 122.820 -0.217 0.000 1.970 256 A HA 0.223 4.544 4.320 0.001 0.000 0.216 256 A C 2.299 179.865 177.584 -0.030 0.000 1.170 256 A CA 1.337 53.314 52.037 -0.099 0.000 0.645 256 A CB -0.764 18.209 19.000 -0.045 0.000 0.816 256 A HN 0.292 nan 8.150 nan 0.000 0.447 257 A N -0.319 122.484 122.820 -0.029 0.000 1.940 257 A HA -0.049 4.271 4.320 0.001 0.000 0.219 257 A C 2.189 179.776 177.584 0.005 0.000 1.176 257 A CA 1.873 53.922 52.037 0.021 0.000 0.631 257 A CB -0.851 18.217 19.000 0.114 0.000 0.814 257 A HN 0.362 nan 8.150 nan 0.000 0.446 258 V N -0.191 119.731 119.914 0.014 0.000 2.358 258 V HA -0.162 3.958 4.120 0.001 0.000 0.246 258 V C 2.827 178.902 176.094 -0.032 0.000 1.047 258 V CA 1.856 64.155 62.300 -0.001 0.000 1.035 258 V CB -1.415 30.370 31.823 -0.062 0.000 0.658 258 V HN 0.618 nan 8.190 nan 0.000 0.452 259 G N -0.431 108.345 108.800 -0.039 0.000 2.476 259 G HA2 -0.286 3.674 3.960 0.001 0.000 0.218 259 G HA3 -0.286 3.674 3.960 0.001 0.000 0.218 259 G C 1.702 176.602 174.900 0.000 0.000 1.164 259 G CA 1.729 46.814 45.100 -0.026 0.000 0.768 259 G HN 0.461 nan 8.290 nan 0.000 0.560 260 T N 1.298 115.857 114.554 0.009 0.000 2.674 260 T HA -0.088 4.263 4.350 0.001 0.000 0.265 260 T C 2.353 177.062 174.700 0.015 0.000 1.039 260 T CA 1.045 63.156 62.100 0.017 0.000 1.150 260 T CB -0.259 68.620 68.868 0.018 0.000 0.864 260 T HN 0.020 nan 8.240 nan 0.000 0.427 261 L N 0.527 121.747 121.223 -0.006 0.000 2.043 261 L HA -0.078 4.262 4.340 0.001 0.000 0.212 261 L C 2.399 179.295 176.870 0.043 0.000 1.075 261 L CA 1.739 56.583 54.840 0.007 0.000 0.752 261 L CB -1.137 40.924 42.059 0.003 0.000 0.891 261 L HN 0.246 nan 8.230 nan 0.000 0.432 262 M N -1.378 118.241 119.600 0.032 0.000 2.175 262 M HA -0.121 4.359 4.480 0.001 0.000 0.264 262 M C 2.239 178.577 176.300 0.063 0.000 1.063 262 M CA 1.584 56.910 55.300 0.043 0.000 1.119 262 M CB -1.060 31.528 32.600 -0.020 0.000 1.377 262 M HN 0.185 nan 8.290 nan 0.000 0.415 263 T N 0.288 114.873 114.554 0.051 0.000 2.701 263 T HA -0.070 4.281 4.350 0.001 0.000 0.263 263 T C 1.810 176.556 174.700 0.076 0.000 1.040 263 T CA 1.674 63.809 62.100 0.058 0.000 1.147 263 T CB -0.489 68.406 68.868 0.045 0.000 0.865 263 T HN 0.464 nan 8.240 nan 0.000 0.426 264 A N 1.063 123.933 122.820 0.083 0.000 1.958 264 A HA -0.119 4.201 4.320 0.001 0.000 0.221 264 A C 2.244 179.879 177.584 0.085 0.000 1.178 264 A CA 1.531 53.633 52.037 0.108 0.000 0.642 264 A CB -0.891 18.180 19.000 0.118 0.000 0.816 264 A HN 0.586 nan 8.150 nan 0.000 0.453 265 I N -0.780 119.850 120.570 0.101 0.000 2.353 265 I HA -0.130 4.041 4.170 0.001 0.000 0.248 265 I C 2.669 178.865 176.117 0.132 0.000 1.119 265 I CA 0.775 62.159 61.300 0.140 0.000 1.417 265 I CB -0.763 37.353 38.000 0.194 0.000 1.078 265 I HN 0.397 nan 8.210 nan 0.000 0.421 266 G N 1.182 110.054 108.800 0.120 0.000 2.639 266 G HA2 -0.296 3.664 3.960 0.001 0.000 0.216 266 G HA3 -0.296 3.664 3.960 0.001 0.000 0.216 266 G C 1.149 176.104 174.900 0.091 0.000 1.267 266 G CA 1.273 46.438 45.100 0.107 0.000 0.801 266 G HN 0.255 nan 8.290 nan 0.000 0.592 267 D N 0.780 121.230 120.400 0.083 0.000 2.303 267 D HA -0.176 4.465 4.640 0.001 0.000 0.190 267 D C 2.351 178.695 176.300 0.073 0.000 1.011 267 D CA 1.191 55.238 54.000 0.077 0.000 0.860 267 D CB -0.768 40.087 40.800 0.092 0.000 0.961 267 D HN 0.315 nan 8.370 nan 0.000 0.453 268 L N -0.338 120.926 121.223 0.069 0.000 2.700 268 L HA 0.084 4.424 4.340 0.001 0.000 0.240 268 L C 1.475 178.389 176.870 0.073 0.000 1.162 268 L CA 0.489 55.363 54.840 0.057 0.000 0.874 268 L CB -1.002 41.080 42.059 0.037 0.000 1.001 268 L HN 0.199 nan 8.230 nan 0.000 0.447 269 G N 0.715 109.564 108.800 0.083 0.000 2.225 269 G HA2 -0.293 3.667 3.960 0.001 0.000 0.267 269 G HA3 -0.293 3.667 3.960 0.001 0.000 0.267 269 G C 0.613 175.576 174.900 0.106 0.000 1.024 269 G CA 0.225 45.377 45.100 0.087 0.000 0.784 269 G HN 0.435 nan 8.290 nan 0.000 0.507 270 L N -0.390 120.911 121.223 0.130 0.000 2.653 270 L HA 0.308 4.649 4.340 0.001 0.000 0.231 270 L C 2.617 179.595 176.870 0.179 0.000 1.153 270 L CA -0.319 54.614 54.840 0.156 0.000 0.933 270 L CB -0.185 41.990 42.059 0.194 0.000 1.175 270 L HN 0.287 nan 8.230 nan 0.000 0.473 271 L N 0.260 121.592 121.223 0.182 0.000 1.990 271 L HA -0.219 4.122 4.340 0.001 0.000 0.213 271 L C 2.057 179.077 176.870 0.250 0.000 1.072 271 L CA 1.663 56.636 54.840 0.222 0.000 0.755 271 L CB -0.300 41.888 42.059 0.214 0.000 0.889 271 L HN 0.421 nan 8.230 nan 0.000 0.432 272 E N -0.248 120.091 120.200 0.232 0.000 2.494 272 E HA -0.048 4.302 4.350 0.001 0.000 0.193 272 E C 1.286 178.134 176.600 0.413 0.000 1.074 272 E CA 0.772 57.355 56.400 0.307 0.000 0.867 272 E CB 0.051 29.872 29.700 0.202 0.000 0.924 272 E HN 0.646 nan 8.360 nan 0.000 0.502 273 E N 1.174 121.552 120.200 0.296 0.000 2.562 273 E HA 0.076 4.427 4.350 0.001 0.000 0.214 273 E C 0.461 177.084 176.600 0.038 0.000 0.979 273 E CA 0.001 56.542 56.400 0.235 0.000 1.002 273 E CB 0.597 30.378 29.700 0.136 0.000 1.048 273 E HN 0.006 nan 8.360 nan 0.000 0.488 274 T N 1.273 115.843 114.554 0.026 0.000 2.772 274 T HA 0.519 4.870 4.350 0.001 0.000 0.288 274 T C -0.432 174.000 174.700 -0.447 0.000 0.994 274 T CA -0.466 61.520 62.100 -0.191 0.000 0.951 274 T CB 1.106 69.992 68.868 0.030 0.000 0.933 274 T HN 0.314 nan 8.240 nan 0.000 0.447 275 L N 5.482 126.227 121.223 -0.797 0.000 2.319 275 L HA 0.558 4.898 4.340 0.001 0.000 0.280 275 L C -0.833 175.948 176.870 -0.149 0.000 1.099 275 L CA 0.016 54.439 54.840 -0.694 0.000 0.828 275 L CB 0.521 42.134 42.059 -0.743 0.000 1.150 275 L HN 0.433 nan 8.230 nan 0.000 0.442 276 V N 7.184 127.139 119.914 0.069 0.000 2.443 276 V HA 0.445 4.566 4.120 0.001 0.000 0.293 276 V C 0.043 176.272 176.094 0.225 0.000 1.021 276 V CA -0.462 61.953 62.300 0.191 0.000 0.848 276 V CB 1.298 33.289 31.823 0.280 0.000 0.998 276 V HN 0.626 nan 8.190 nan 0.000 0.424 277 I N 5.057 125.742 120.570 0.192 0.000 2.392 277 I HA 0.500 4.671 4.170 0.001 0.000 0.295 277 I C -0.762 175.502 176.117 0.245 0.000 0.985 277 I CA -0.449 60.964 61.300 0.188 0.000 1.221 277 I CB 1.645 39.710 38.000 0.108 0.000 1.366 277 I HN 0.555 nan 8.210 nan 0.000 0.467 278 F N 5.649 125.637 119.950 0.064 0.000 2.495 278 F HA 0.718 5.245 4.527 0.001 0.000 0.327 278 F C -0.280 175.508 175.800 -0.020 0.000 1.103 278 F CA 0.119 58.151 58.000 0.054 0.000 0.949 278 F CB 1.557 40.588 39.000 0.053 0.000 1.142 278 F HN 0.584 nan 8.300 nan 0.000 0.457 279 T N 2.330 116.502 114.554 -0.638 0.000 2.637 279 T HA 0.864 5.214 4.350 0.001 0.000 0.303 279 T C -1.314 173.016 174.700 -0.617 0.000 1.288 279 T CA -0.682 61.092 62.100 -0.544 0.000 1.040 279 T CB 0.949 69.708 68.868 -0.182 0.000 1.644 279 T HN 0.862 nan 8.240 nan 0.000 0.480 280 A N 0.516 123.099 122.820 -0.394 0.000 2.587 280 A HA 0.691 5.011 4.320 0.001 0.000 0.293 280 A C 0.217 177.392 177.584 -0.682 0.000 1.087 280 A CA -0.296 51.363 52.037 -0.630 0.000 0.692 280 A CB 1.227 19.978 19.000 -0.415 0.000 1.291 280 A HN 0.857 nan 8.150 nan 0.000 0.407 281 D N 0.338 120.159 120.400 -0.965 0.000 2.234 281 D HA -0.026 4.615 4.640 0.001 0.000 0.205 281 D C 0.286 176.500 176.300 -0.144 0.000 0.962 281 D CA 1.416 55.060 54.000 -0.594 0.000 0.855 281 D CB -0.124 40.376 40.800 -0.501 0.000 0.951 281 D HN 0.731 nan 8.370 nan 0.000 0.500 282 N N -1.780 116.846 118.700 -0.124 0.000 3.348 282 N HA 0.212 4.952 4.740 0.001 0.000 0.233 282 N C -0.099 175.397 175.510 -0.023 0.000 1.440 282 N CA -0.568 52.465 53.050 -0.028 0.000 0.887 282 N CB 0.763 39.239 38.487 -0.018 0.000 1.410 282 N HN 0.005 nan 8.380 nan 0.000 0.502 283 G N -0.194 108.612 108.800 0.011 0.000 2.684 283 G HA2 0.401 4.361 3.960 0.001 0.000 0.255 283 G HA3 0.401 4.361 3.960 0.001 0.000 0.255 283 G C -2.426 172.485 174.900 0.019 0.000 1.219 283 G CA -0.734 44.380 45.100 0.023 0.000 0.901 283 G HN 0.515 nan 8.290 nan 0.000 0.548 284 P HA 0.124 nan 4.420 nan 0.000 0.272 284 P C -0.586 176.730 177.300 0.026 0.000 1.223 284 P CA -0.147 62.970 63.100 0.027 0.000 0.784 284 P CB 1.085 32.785 31.700 0.001 0.000 0.923 285 E N 1.019 121.234 120.200 0.025 0.000 1.986 285 E HA 0.107 4.458 4.350 0.001 0.000 0.264 285 E C 0.892 177.501 176.600 0.016 0.000 1.023 285 E CA -0.204 56.219 56.400 0.039 0.000 0.834 285 E CB 0.035 29.749 29.700 0.024 0.000 1.111 285 E HN 0.404 nan 8.360 nan 0.000 0.417 286 T N 1.857 116.420 114.554 0.016 0.000 2.995 286 T HA -0.166 4.184 4.350 0.001 0.000 0.269 286 T C 1.723 176.412 174.700 -0.018 0.000 1.091 286 T CA 0.272 62.365 62.100 -0.011 0.000 1.128 286 T CB 0.009 68.876 68.868 -0.002 0.000 0.891 286 T HN 0.450 nan 8.240 nan 0.000 0.492 287 M N 0.964 120.555 119.600 -0.014 0.000 2.346 287 M HA -0.066 4.415 4.480 0.001 0.000 0.263 287 M C 1.353 177.618 176.300 -0.059 0.000 1.064 287 M CA 1.312 56.582 55.300 -0.050 0.000 1.083 287 M CB -0.499 32.063 32.600 -0.062 0.000 1.399 287 M HN 0.139 nan 8.290 nan 0.000 0.435 288 R N 0.319 120.796 120.500 -0.040 0.000 2.323 288 R HA 0.121 4.462 4.340 0.001 0.000 0.198 288 R C 1.169 177.470 176.300 0.001 0.000 0.988 288 R CA 0.255 56.345 56.100 -0.016 0.000 1.041 288 R CB -0.687 29.643 30.300 0.050 0.000 0.926 288 R HN 0.588 nan 8.270 nan 0.000 0.476 289 M N -0.907 118.679 119.600 -0.024 0.000 7.319 289 M HA -0.381 4.100 4.480 0.001 0.000 0.312 289 M C 1.372 177.648 176.300 -0.039 0.000 0.480 289 M CA 2.293 57.575 55.300 -0.029 0.000 1.311 289 M CB -1.539 31.050 32.600 -0.018 0.000 0.421 289 M HN 0.253 nan 8.290 nan 0.000 0.740 290 S N 0.849 116.537 115.700 -0.019 0.000 2.607 290 S HA 0.119 4.589 4.470 0.001 0.000 0.224 290 S C 1.110 175.713 174.600 0.006 0.000 0.969 290 S CA 0.879 59.063 58.200 -0.027 0.000 0.927 290 S CB -0.266 62.932 63.200 -0.003 0.000 0.772 290 S HN 0.506 nan 8.310 nan 0.000 0.533 291 R N 0.439 120.975 120.500 0.060 0.000 2.466 291 R HA 0.344 4.685 4.340 0.001 0.000 0.279 291 R C 0.841 177.284 176.300 0.239 0.000 0.976 291 R CA 0.137 56.355 56.100 0.197 0.000 1.081 291 R CB 0.736 31.166 30.300 0.217 0.000 1.215 291 R HN 0.476 nan 8.270 nan 0.000 0.546 292 G N -1.143 107.634 108.800 -0.038 0.000 2.788 292 G HA2 0.543 4.503 3.960 0.001 0.000 0.293 292 G HA3 0.543 4.503 3.960 0.001 0.000 0.293 292 G C -0.249 174.196 174.900 -0.758 0.000 1.305 292 G CA -0.589 44.445 45.100 -0.111 0.000 1.005 292 G HN 0.137 nan 8.290 nan 0.000 0.496 293 G N -2.101 106.399 108.800 -0.500 0.000 2.508 293 G HA2 0.432 4.392 3.960 0.001 0.000 0.278 293 G HA3 0.432 4.392 3.960 0.001 0.000 0.278 293 G C -0.713 174.008 174.900 -0.298 0.000 1.389 293 G CA -0.056 44.691 45.100 -0.589 0.000 1.050 293 G HN 1.086 nan 8.290 nan 0.000 0.522 294 C N -0.258 118.961 119.300 -0.134 0.000 2.431 294 C HA 0.605 5.065 4.460 0.001 0.000 0.321 294 C C 1.366 176.390 174.990 0.057 0.000 1.202 294 C CA -0.075 58.936 59.018 -0.012 0.000 1.398 294 C CB 0.743 28.548 27.740 0.108 0.000 2.047 294 C HN 0.822 nan 8.230 nan 0.000 0.465 295 S N 4.152 119.883 115.700 0.051 0.000 2.593 295 S HA 0.442 4.912 4.470 0.001 0.000 0.217 295 S C 1.202 175.878 174.600 0.127 0.000 0.966 295 S CA 0.752 59.002 58.200 0.083 0.000 0.914 295 S CB -0.362 62.851 63.200 0.021 0.000 0.776 295 S HN 2.301 nan 8.310 nan 0.000 0.523 296 G N 3.101 111.976 108.800 0.124 0.000 2.556 296 G HA2 -0.368 3.592 3.960 0.001 0.000 0.283 296 G HA3 -0.368 3.592 3.960 0.001 0.000 0.283 296 G C 0.638 175.576 174.900 0.064 0.000 1.177 296 G CA 0.271 45.454 45.100 0.138 0.000 0.978 296 G HN 1.149 nan 8.290 nan 0.000 0.554 297 L N -0.255 121.006 121.223 0.064 0.000 2.492 297 L HA 0.534 4.874 4.340 0.001 0.000 0.223 297 L C 1.310 178.142 176.870 -0.063 0.000 1.132 297 L CA 0.032 54.872 54.840 -0.001 0.000 0.850 297 L CB -0.405 41.663 42.059 0.016 0.000 0.966 297 L HN 0.410 nan 8.230 nan 0.000 0.454 298 L N 1.128 122.298 121.223 -0.087 0.000 2.453 298 L HA 0.293 4.633 4.340 0.001 0.000 0.261 298 L C 0.555 177.354 176.870 -0.118 0.000 1.179 298 L CA -0.337 54.419 54.840 -0.141 0.000 0.813 298 L CB 0.380 42.313 42.059 -0.209 0.000 1.110 298 L HN 0.147 nan 8.230 nan 0.000 0.466 299 R N 0.858 121.269 120.500 -0.148 0.000 2.265 299 R HA 0.401 4.741 4.340 0.001 0.000 0.314 299 R C -0.480 175.727 176.300 -0.156 0.000 1.053 299 R CA -0.122 55.855 56.100 -0.205 0.000 0.931 299 R CB 0.519 30.619 30.300 -0.332 0.000 1.024 299 R HN 0.862 nan 8.270 nan 0.000 0.457 300 c N 0.934 119.449 118.600 -0.142 0.000 0.168 300 c HA -0.124 4.446 4.570 0.001 0.000 0.017 300 c C 1.000 175.102 174.090 0.020 0.000 0.171 300 c CA -0.121 56.176 56.329 -0.054 0.000 0.499 300 c CB -1.479 41.012 42.510 -0.032 0.000 3.212 300 c HN 1.071 nan 8.230 nan 0.000 1.118 301 G N -0.396 108.447 108.800 0.071 0.000 2.933 301 G HA2 0.560 4.520 3.960 0.001 0.000 0.203 301 G HA3 0.560 4.520 3.960 0.001 0.000 0.203 301 G C -1.068 173.890 174.900 0.096 0.000 1.170 301 G CA 0.170 45.313 45.100 0.071 0.000 0.880 301 G HN 1.051 nan 8.290 nan 0.000 0.573 302 K N 0.449 120.896 120.400 0.078 0.000 2.489 302 K HA 0.365 4.685 4.320 0.001 0.000 0.278 302 K C 1.157 177.817 176.600 0.100 0.000 1.000 302 K CA 1.380 57.697 56.287 0.049 0.000 1.012 302 K CB 0.077 32.585 32.500 0.013 0.000 0.903 302 K HN 1.629 nan 8.250 nan 0.000 0.485 303 G N 2.251 111.087 108.800 0.060 0.000 2.175 303 G HA2 -0.270 3.690 3.960 0.001 0.000 0.244 303 G HA3 -0.270 3.690 3.960 0.001 0.000 0.244 303 G C 0.117 175.109 174.900 0.154 0.000 0.982 303 G CA 0.559 45.732 45.100 0.121 0.000 0.641 303 G HN 0.863 nan 8.290 nan 0.000 0.527 304 T N -2.866 111.778 114.554 0.150 0.000 2.927 304 T HA 0.653 5.003 4.350 0.001 0.000 0.286 304 T C 1.091 175.849 174.700 0.096 0.000 1.040 304 T CA 0.757 62.955 62.100 0.163 0.000 1.010 304 T CB 1.681 70.718 68.868 0.282 0.000 1.177 304 T HN 0.868 nan 8.240 nan 0.000 0.546 305 T N -1.724 112.852 114.554 0.036 0.000 3.206 305 T HA 0.268 4.618 4.350 0.001 0.000 0.253 305 T C -0.079 174.539 174.700 -0.137 0.000 1.042 305 T CA -0.465 61.617 62.100 -0.031 0.000 0.931 305 T CB -0.962 67.969 68.868 0.104 0.000 1.029 305 T HN 0.562 nan 8.240 nan 0.000 0.564 306 Y N 2.198 122.548 120.300 0.082 0.000 2.357 306 Y HA 0.239 4.789 4.550 0.000 0.000 0.340 306 Y C 1.860 177.714 175.900 -0.077 0.000 1.260 306 Y CA -0.777 57.344 58.100 0.034 0.000 1.425 306 Y CB 0.563 39.009 38.460 -0.024 0.000 1.326 306 Y HN 0.006 nan 8.280 nan 0.000 0.580 307 E N 1.530 121.777 120.200 0.078 0.000 2.130 307 E HA -0.195 4.156 4.350 0.001 0.000 0.196 307 E C 2.210 178.775 176.600 -0.058 0.000 0.998 307 E CA 1.390 57.767 56.400 -0.038 0.000 0.806 307 E CB -0.584 29.067 29.700 -0.083 0.000 0.738 307 E HN 1.025 nan 8.360 nan 0.000 0.459 308 G N 0.342 109.127 108.800 -0.025 0.000 2.501 308 G HA2 -0.175 3.785 3.960 0.001 0.000 0.220 308 G HA3 -0.175 3.785 3.960 0.001 0.000 0.220 308 G C 1.477 176.392 174.900 0.025 0.000 1.114 308 G CA 0.966 46.056 45.100 -0.016 0.000 0.757 308 G HN 0.396 nan 8.290 nan 0.000 0.559 309 G N -0.246 108.583 108.800 0.048 0.000 2.709 309 G HA2 0.149 4.109 3.960 0.001 0.000 0.208 309 G HA3 0.149 4.109 3.960 0.001 0.000 0.208 309 G C 1.475 176.407 174.900 0.053 0.000 1.129 309 G CA 1.104 46.238 45.100 0.057 0.000 0.793 309 G HN 0.660 nan 8.290 nan 0.000 0.524 310 V N -2.627 117.309 119.914 0.037 0.000 3.605 310 V HA 0.473 4.593 4.120 0.001 0.000 0.284 310 V C 0.710 176.865 176.094 0.102 0.000 1.386 310 V CA -0.292 62.079 62.300 0.119 0.000 1.053 310 V CB -0.054 31.841 31.823 0.120 0.000 0.857 310 V HN 0.125 nan 8.190 nan 0.000 0.436 311 R N 1.552 122.019 120.500 -0.055 0.000 2.295 311 R HA 0.495 4.835 4.340 0.001 0.000 0.324 311 R C -0.874 175.449 176.300 0.038 0.000 0.968 311 R CA -0.272 55.678 56.100 -0.249 0.000 0.837 311 R CB 1.061 31.051 30.300 -0.516 0.000 1.133 311 R HN 0.356 nan 8.270 nan 0.000 0.450 312 E N 4.431 124.705 120.200 0.123 0.000 2.263 312 E HA 0.452 4.803 4.350 0.001 0.000 0.264 312 E C -2.499 174.159 176.600 0.098 0.000 0.923 312 E CA -2.476 54.009 56.400 0.141 0.000 0.802 312 E CB 1.758 31.553 29.700 0.160 0.000 1.228 312 E HN 0.483 nan 8.360 nan 0.000 0.417 313 P HA 0.353 nan 4.420 nan 0.000 0.275 313 P C -1.339 175.921 177.300 -0.067 0.000 1.228 313 P CA -0.357 62.545 63.100 -0.330 0.000 0.786 313 P CB 0.750 32.156 31.700 -0.491 0.000 0.927 314 A N 2.945 125.835 122.820 0.117 0.000 2.491 314 A HA 0.645 4.965 4.320 0.001 0.000 0.293 314 A C -1.429 176.311 177.584 0.260 0.000 1.047 314 A CA -0.549 51.412 52.037 -0.126 0.000 0.735 314 A CB 0.743 19.132 19.000 -1.019 0.000 1.281 314 A HN 0.401 nan 8.150 nan 0.000 0.398 315 L N 1.612 122.996 121.223 0.269 0.000 2.365 315 L HA 0.860 5.201 4.340 0.001 0.000 0.273 315 L C 0.182 177.259 176.870 0.345 0.000 1.000 315 L CA -0.794 54.261 54.840 0.360 0.000 0.819 315 L CB 2.238 44.474 42.059 0.295 0.000 1.284 315 L HN 0.861 nan 8.230 nan 0.000 0.418 316 A N 3.079 126.147 122.820 0.412 0.000 2.335 316 A HA 0.757 5.077 4.320 0.001 0.000 0.304 316 A C -1.497 176.332 177.584 0.408 0.000 1.118 316 A CA -0.308 51.962 52.037 0.387 0.000 0.757 316 A CB 1.043 20.309 19.000 0.443 0.000 1.188 316 A HN 0.570 nan 8.150 nan 0.000 0.460 317 F N 3.322 123.402 119.950 0.216 0.000 2.539 317 F HA 0.710 5.238 4.527 0.001 0.000 0.318 317 F C -1.738 174.241 175.800 0.299 0.000 1.135 317 F CA -0.621 57.512 58.000 0.222 0.000 0.915 317 F CB 1.595 40.697 39.000 0.169 0.000 1.176 317 F HN 0.604 nan 8.300 nan 0.000 0.440 318 W N 10.181 131.231 121.300 -0.416 0.000 2.113 318 W HA 0.399 5.059 4.660 0.001 0.000 0.290 318 W C -3.079 173.259 176.519 -0.303 0.000 1.033 318 W CA -2.896 54.285 57.345 -0.274 0.000 1.156 318 W CB 0.638 30.061 29.460 -0.061 0.000 1.109 318 W HN 0.347 nan 8.180 nan 0.000 0.290 319 P HA 0.186 nan 4.420 nan 0.000 0.263 319 P C 0.959 178.206 177.300 -0.088 0.000 1.175 319 P CA 2.957 65.935 63.100 -0.203 0.000 0.761 319 P CB 0.718 32.340 31.700 -0.130 0.000 0.794 320 G N 2.307 110.999 108.800 -0.181 0.000 2.284 320 G HA2 -0.335 3.625 3.960 0.001 0.000 0.261 320 G HA3 -0.335 3.625 3.960 0.001 0.000 0.261 320 G C 0.852 175.386 174.900 -0.608 0.000 0.997 320 G CA 0.644 45.554 45.100 -0.317 0.000 0.621 320 G HN 0.632 nan 8.290 nan 0.000 0.534 321 H N -0.720 117.982 119.070 -0.613 0.000 2.681 321 H HA 0.551 5.107 4.556 0.001 0.000 0.268 321 H C 0.912 176.038 175.328 -0.337 0.000 0.967 321 H CA 0.540 56.158 56.048 -0.716 0.000 1.233 321 H CB 0.720 29.427 29.762 -1.759 0.000 1.445 321 H HN 0.415 nan 8.280 nan 0.000 0.494 322 I N 1.179 121.709 120.570 -0.066 0.000 2.439 322 I HA 0.449 4.619 4.170 0.001 0.000 0.285 322 I C -0.483 175.618 176.117 -0.027 0.000 1.021 322 I CA -0.960 60.354 61.300 0.023 0.000 1.091 322 I CB 1.714 39.804 38.000 0.149 0.000 1.242 322 I HN 0.101 nan 8.210 nan 0.000 0.439 323 A N 7.841 130.640 122.820 -0.034 0.000 2.354 323 A HA 0.640 4.961 4.320 0.001 0.000 0.269 323 A C -2.407 175.169 177.584 -0.014 0.000 1.109 323 A CA -1.377 50.637 52.037 -0.039 0.000 0.800 323 A CB -0.253 18.720 19.000 -0.045 0.000 1.045 323 A HN 0.426 nan 8.150 nan 0.000 0.489 324 P HA 0.268 nan 4.420 nan 0.000 0.259 324 P C 0.534 177.826 177.300 -0.014 0.000 1.163 324 P CA 1.380 64.489 63.100 0.015 0.000 0.760 324 P CB 0.456 32.168 31.700 0.019 0.000 0.762 325 G N 0.866 109.649 108.800 -0.028 0.000 2.427 325 G HA2 0.450 4.411 3.960 0.001 0.000 0.306 325 G HA3 0.450 4.411 3.960 0.001 0.000 0.306 325 G C -1.947 172.891 174.900 -0.103 0.000 1.280 325 G CA -0.499 44.561 45.100 -0.067 0.000 0.837 325 G HN 0.301 nan 8.290 nan 0.000 0.482 326 V N 1.434 121.255 119.914 -0.156 0.000 2.419 326 V HA 0.578 4.698 4.120 0.001 0.000 0.287 326 V C -0.199 175.700 176.094 -0.325 0.000 1.017 326 V CA -0.527 61.639 62.300 -0.223 0.000 0.844 326 V CB 1.142 32.835 31.823 -0.215 0.000 1.011 326 V HN 0.991 nan 8.190 nan 0.000 0.429 327 T N 1.119 115.470 114.554 -0.338 0.000 2.895 327 T HA 0.525 4.875 4.350 0.001 0.000 0.283 327 T C 0.354 174.956 174.700 -0.162 0.000 1.014 327 T CA -0.497 61.427 62.100 -0.294 0.000 1.037 327 T CB 1.630 70.330 68.868 -0.279 0.000 1.006 327 T HN 0.702 nan 8.240 nan 0.000 0.468 328 H N -1.055 118.052 119.070 0.062 0.000 2.672 328 H HA 0.264 4.821 4.556 0.001 0.000 0.277 328 H C 0.400 175.817 175.328 0.149 0.000 1.074 328 H CA -0.451 55.673 56.048 0.126 0.000 1.173 328 H CB 0.644 30.461 29.762 0.092 0.000 1.558 328 H HN 0.579 nan 8.280 nan 0.000 0.539 329 E N 1.616 121.948 120.200 0.220 0.000 2.404 329 E HA 0.094 4.444 4.350 0.001 0.000 0.261 329 E C -0.189 176.584 176.600 0.289 0.000 1.074 329 E CA -0.352 56.175 56.400 0.212 0.000 0.917 329 E CB 1.111 30.897 29.700 0.143 0.000 0.965 329 E HN 0.264 nan 8.360 nan 0.000 0.433 330 L N 1.773 123.125 121.223 0.215 0.000 2.490 330 L HA 0.270 4.611 4.340 0.001 0.000 0.274 330 L C 0.177 177.199 176.870 0.253 0.000 1.201 330 L CA -0.009 54.969 54.840 0.231 0.000 0.869 330 L CB 0.192 42.319 42.059 0.113 0.000 1.123 330 L HN 0.545 nan 8.230 nan 0.000 0.484 331 A N 2.743 125.720 122.820 0.261 0.000 2.594 331 A HA 0.725 5.045 4.320 0.001 0.000 0.295 331 A C -0.961 176.472 177.584 -0.251 0.000 1.071 331 A CA -0.418 51.697 52.037 0.131 0.000 0.685 331 A CB 2.198 21.412 19.000 0.357 0.000 1.285 331 A HN 0.525 nan 8.150 nan 0.000 0.405 332 S N -0.764 114.712 115.700 -0.374 0.000 2.569 332 S HA 0.545 5.016 4.470 0.001 0.000 0.280 332 S C 1.227 175.600 174.600 -0.377 0.000 1.111 332 S CA 0.249 58.147 58.200 -0.503 0.000 0.887 332 S CB 1.617 64.737 63.200 -0.134 0.000 1.095 332 S HN 1.754 nan 8.310 nan 0.000 0.476 333 S N 3.113 118.678 115.700 -0.226 0.000 2.419 333 S HA -0.083 4.388 4.470 0.001 0.000 0.233 333 S C 1.661 176.276 174.600 0.024 0.000 1.016 333 S CA 0.727 59.011 58.200 0.140 0.000 0.974 333 S CB -0.371 62.953 63.200 0.207 0.000 0.786 333 S HN 0.573 nan 8.310 nan 0.000 0.492 334 L N 2.289 123.495 121.223 -0.028 0.000 2.265 334 L HA 0.039 4.379 4.340 0.001 0.000 0.215 334 L C 1.364 178.207 176.870 -0.044 0.000 1.117 334 L CA 1.428 56.239 54.840 -0.049 0.000 0.782 334 L CB -1.079 40.946 42.059 -0.056 0.000 0.914 334 L HN 0.288 nan 8.230 nan 0.000 0.441 335 D N -1.734 118.672 120.400 0.010 0.000 2.349 335 D HA -0.022 4.618 4.640 0.001 0.000 0.215 335 D C 2.126 178.455 176.300 0.048 0.000 1.016 335 D CA 0.130 54.162 54.000 0.055 0.000 0.870 335 D CB 0.489 41.378 40.800 0.149 0.000 0.917 335 D HN 0.135 nan 8.370 nan 0.000 0.524 336 L N 1.145 122.387 121.223 0.031 0.000 2.017 336 L HA -0.131 4.210 4.340 0.001 0.000 0.208 336 L C 2.213 179.039 176.870 -0.073 0.000 1.073 336 L CA 1.059 55.898 54.840 -0.001 0.000 0.745 336 L CB -1.128 40.927 42.059 -0.006 0.000 0.894 336 L HN 0.126 nan 8.230 nan 0.000 0.432 337 L N 1.506 122.662 121.223 -0.111 0.000 1.971 337 L HA -0.118 4.222 4.340 0.001 0.000 0.215 337 L C -0.522 176.272 176.870 -0.127 0.000 1.072 337 L CA 2.443 57.189 54.840 -0.156 0.000 0.758 337 L CB -2.861 39.103 42.059 -0.159 0.000 0.889 337 L HN 0.204 nan 8.230 nan 0.000 0.433 338 P HA -0.126 nan 4.420 nan 0.000 0.217 338 P C 1.613 178.901 177.300 -0.020 0.000 1.148 338 P CA 2.037 65.104 63.100 -0.055 0.000 0.828 338 P CB -0.336 31.337 31.700 -0.045 0.000 0.783 339 T N 0.220 114.774 114.554 0.001 0.000 2.770 339 T HA -0.017 4.333 4.350 0.001 0.000 0.263 339 T C 1.955 176.649 174.700 -0.009 0.000 1.039 339 T CA 0.896 63.019 62.100 0.037 0.000 1.142 339 T CB -0.775 68.139 68.868 0.078 0.000 0.868 339 T HN 0.044 nan 8.240 nan 0.000 0.435 340 L N 0.848 122.029 121.223 -0.071 0.000 1.994 340 L HA -0.097 4.244 4.340 0.001 0.000 0.208 340 L C 3.139 179.911 176.870 -0.163 0.000 1.071 340 L CA 1.309 56.059 54.840 -0.149 0.000 0.745 340 L CB -0.902 41.016 42.059 -0.235 0.000 0.892 340 L HN 0.257 nan 8.230 nan 0.000 0.431 341 A N 0.413 123.135 122.820 -0.164 0.000 1.881 341 A HA -0.342 3.978 4.320 0.001 0.000 0.219 341 A C 2.541 180.088 177.584 -0.062 0.000 1.215 341 A CA 2.573 54.532 52.037 -0.131 0.000 0.648 341 A CB -1.089 17.848 19.000 -0.106 0.000 0.832 341 A HN 0.456 nan 8.150 nan 0.000 0.455 342 A N -1.063 121.741 122.820 -0.027 0.000 1.869 342 A HA -0.171 4.150 4.320 0.001 0.000 0.218 342 A C 2.040 179.642 177.584 0.030 0.000 1.203 342 A CA 2.088 54.132 52.037 0.013 0.000 0.638 342 A CB -0.785 18.239 19.000 0.039 0.000 0.831 342 A HN 0.541 nan 8.150 nan 0.000 0.450 343 L N -1.196 120.046 121.223 0.030 0.000 2.265 343 L HA -0.037 4.303 4.340 0.001 0.000 0.215 343 L C 2.351 179.255 176.870 0.058 0.000 1.117 343 L CA 1.710 56.589 54.840 0.064 0.000 0.782 343 L CB -0.815 41.264 42.059 0.033 0.000 0.914 343 L HN 0.450 nan 8.230 nan 0.000 0.441 344 A N -2.058 120.776 122.820 0.023 0.000 2.470 344 A HA 0.494 4.815 4.320 0.001 0.000 0.251 344 A C 1.523 179.152 177.584 0.074 0.000 1.245 344 A CA 0.398 52.482 52.037 0.079 0.000 0.932 344 A CB -0.403 18.614 19.000 0.029 0.000 1.037 344 A HN 0.419 nan 8.150 nan 0.000 0.522 345 G N -0.502 108.324 108.800 0.044 0.000 2.321 345 G HA2 0.041 4.002 3.960 0.001 0.000 0.287 345 G HA3 0.041 4.002 3.960 0.001 0.000 0.287 345 G C 0.411 175.322 174.900 0.020 0.000 1.018 345 G CA 0.665 45.786 45.100 0.034 0.000 0.855 345 G HN 1.590 nan 8.290 nan 0.000 0.507 346 A N 0.196 123.013 122.820 -0.004 0.000 2.303 346 A HA 0.895 5.216 4.320 0.001 0.000 0.317 346 A C -1.537 176.025 177.584 -0.036 0.000 1.149 346 A CA -1.296 50.727 52.037 -0.024 0.000 0.822 346 A CB 1.360 20.321 19.000 -0.065 0.000 1.131 346 A HN 0.270 nan 8.150 nan 0.000 0.493 347 P HA 0.457 nan 4.420 nan 0.000 0.288 347 P C -0.871 176.399 177.300 -0.051 0.000 1.267 347 P CA -0.373 62.707 63.100 -0.034 0.000 0.815 347 P CB 0.877 32.564 31.700 -0.022 0.000 0.989 348 L N 4.083 125.277 121.223 -0.049 0.000 2.397 348 L HA 0.301 4.642 4.340 0.001 0.000 0.271 348 L C -1.335 175.502 176.870 -0.056 0.000 1.148 348 L CA -1.832 52.971 54.840 -0.061 0.000 0.825 348 L CB -0.554 41.470 42.059 -0.058 0.000 1.117 348 L HN 0.314 nan 8.230 nan 0.000 0.456 349 P HA 0.005 nan 4.420 nan 0.000 0.269 349 P C -0.200 177.070 177.300 -0.050 0.000 1.217 349 P CA -0.142 62.923 63.100 -0.058 0.000 0.783 349 P CB 0.310 31.970 31.700 -0.067 0.000 0.898 350 N N 0.392 119.067 118.700 -0.042 0.000 3.091 350 N HA 0.416 5.156 4.740 0.001 0.000 0.301 350 N C 0.123 175.610 175.510 -0.040 0.000 1.325 350 N CA -0.332 52.697 53.050 -0.036 0.000 1.143 350 N CB -0.473 nan 38.487 nan 0.000 1.450 350 N HN 0.384 nan 8.380 nan 0.000 0.542 351 V N -3.159 116.724 119.914 -0.050 0.000 3.102 351 V HA 0.747 4.867 4.120 0.001 0.000 0.312 351 V C 0.539 176.594 176.094 -0.066 0.000 1.135 351 V CA -0.853 61.414 62.300 -0.055 0.000 1.022 351 V CB 1.178 32.965 31.823 -0.060 0.000 1.056 351 V HN 0.295 nan 8.190 nan 0.000 0.436 352 T N 2.404 116.918 114.554 -0.067 0.000 2.814 352 T HA 0.554 4.904 4.350 0.001 0.000 0.297 352 T C -0.469 174.169 174.700 -0.103 0.000 0.956 352 T CA -0.132 61.919 62.100 -0.081 0.000 1.123 352 T CB -0.274 68.550 68.868 -0.073 0.000 0.902 352 T HN 0.611 nan 8.240 nan 0.000 0.528 353 L N 4.103 125.250 121.223 -0.127 0.000 2.325 353 L HA 0.478 4.818 4.340 0.001 0.000 0.278 353 L C 0.423 177.165 176.870 -0.213 0.000 1.023 353 L CA -0.884 53.860 54.840 -0.161 0.000 0.811 353 L CB 1.729 43.685 42.059 -0.173 0.000 1.249 353 L HN 0.714 nan 8.230 nan 0.000 0.431 354 D N 1.884 122.152 120.400 -0.220 0.000 2.440 354 D HA 0.194 4.834 4.640 0.001 0.000 0.216 354 D C 0.558 176.637 176.300 -0.369 0.000 1.150 354 D CA 0.184 54.033 54.000 -0.250 0.000 0.832 354 D CB 1.541 42.251 40.800 -0.150 0.000 0.992 354 D HN 0.690 nan 8.370 nan 0.000 0.502 355 G N -0.226 108.314 108.800 -0.434 0.000 3.016 355 G HA2 0.641 4.602 3.960 0.001 0.000 0.270 355 G HA3 0.641 4.602 3.960 0.001 0.000 0.270 355 G C -1.079 173.371 174.900 -0.751 0.000 1.352 355 G CA -0.478 44.350 45.100 -0.453 0.000 1.060 355 G HN -0.053 nan 8.290 nan 0.000 0.538 356 F N -1.471 118.486 119.950 0.012 0.000 2.643 356 F HA 0.383 4.910 4.527 0.000 0.000 0.314 356 F C -0.650 175.170 175.800 0.034 0.000 1.096 356 F CA -0.887 57.127 58.000 0.023 0.000 0.953 356 F CB 2.132 41.155 39.000 0.039 0.000 1.345 356 F HN 0.371 nan 8.300 nan 0.000 0.468 357 D N 1.451 122.003 120.400 0.253 0.000 2.325 357 D HA 0.215 4.855 4.640 0.001 0.000 0.251 357 D C 0.163 176.574 176.300 0.185 0.000 1.196 357 D CA 0.268 54.367 54.000 0.166 0.000 0.866 357 D CB 0.775 41.645 40.800 0.117 0.000 1.101 357 D HN 0.528 nan 8.370 nan 0.000 0.476 358 L N 3.079 124.413 121.223 0.185 0.000 2.628 358 L HA 0.001 4.342 4.340 0.001 0.000 0.229 358 L C 2.038 179.019 176.870 0.186 0.000 1.137 358 L CA -0.010 54.951 54.840 0.202 0.000 0.909 358 L CB -0.239 41.978 42.059 0.263 0.000 1.137 358 L HN 0.404 nan 8.230 nan 0.000 0.470 359 S N 0.168 115.963 115.700 0.159 0.000 2.387 359 S HA -0.115 4.356 4.470 0.001 0.000 0.230 359 S C -0.620 174.063 174.600 0.138 0.000 1.035 359 S CA 0.796 59.092 58.200 0.160 0.000 1.014 359 S CB -1.599 61.690 63.200 0.148 0.000 0.836 359 S HN 0.269 nan 8.310 nan 0.000 0.466 360 P HA -0.075 nan 4.420 nan 0.000 0.215 360 P C 1.812 179.161 177.300 0.083 0.000 1.157 360 P CA 0.747 63.896 63.100 0.082 0.000 0.874 360 P CB -0.163 31.577 31.700 0.066 0.000 0.790 361 L N -1.388 119.898 121.223 0.104 0.000 2.017 361 L HA -0.143 4.198 4.340 0.001 0.000 0.208 361 L C 2.123 179.054 176.870 0.103 0.000 1.073 361 L CA 1.840 56.738 54.840 0.098 0.000 0.745 361 L CB -1.401 40.738 42.059 0.134 0.000 0.894 361 L HN -0.182 nan 8.230 nan 0.000 0.432 362 L N -0.575 120.747 121.223 0.165 0.000 2.042 362 L HA -0.194 4.146 4.340 0.001 0.000 0.210 362 L C 2.214 179.166 176.870 0.136 0.000 1.076 362 L CA 1.875 56.825 54.840 0.185 0.000 0.749 362 L CB -0.828 41.389 42.059 0.262 0.000 0.893 362 L HN 0.295 nan 8.230 nan 0.000 0.432 363 L N -1.497 119.795 121.223 0.114 0.000 2.592 363 L HA 0.300 4.641 4.340 0.001 0.000 0.227 363 L C 1.361 178.242 176.870 0.019 0.000 1.127 363 L CA 0.512 55.388 54.840 0.061 0.000 0.884 363 L CB -0.511 41.582 42.059 0.057 0.000 1.065 363 L HN 0.396 nan 8.230 nan 0.000 0.457 364 G N 0.713 109.527 108.800 0.025 0.000 2.160 364 G HA2 -0.293 3.667 3.960 0.001 0.000 0.244 364 G HA3 -0.293 3.667 3.960 0.001 0.000 0.244 364 G C 0.652 175.554 174.900 0.002 0.000 1.022 364 G CA 0.536 45.638 45.100 0.003 0.000 0.741 364 G HN 0.402 nan 8.290 nan 0.000 0.508 365 T N -3.094 111.469 114.554 0.015 0.000 3.132 365 T HA 0.630 4.981 4.350 0.001 0.000 0.274 365 T C 0.962 175.674 174.700 0.020 0.000 1.011 365 T CA 0.724 62.831 62.100 0.012 0.000 0.899 365 T CB 1.331 70.209 68.868 0.016 0.000 1.089 365 T HN 1.836 nan 8.240 nan 0.000 0.543 366 G N 0.171 108.986 108.800 0.025 0.000 2.548 366 G HA2 0.556 4.517 3.960 0.001 0.000 0.301 366 G HA3 0.556 4.517 3.960 0.001 0.000 0.301 366 G C -1.962 172.956 174.900 0.030 0.000 1.349 366 G CA -0.978 44.139 45.100 0.028 0.000 0.792 366 G HN 0.245 nan 8.290 nan 0.000 0.481 367 K N -0.406 120.011 120.400 0.028 0.000 2.210 367 K HA 0.691 5.012 4.320 0.001 0.000 0.236 367 K C 0.391 177.013 176.600 0.035 0.000 1.016 367 K CA -0.402 55.902 56.287 0.028 0.000 0.913 367 K CB 1.605 34.114 32.500 0.015 0.000 1.141 367 K HN 0.601 nan 8.250 nan 0.000 0.462 368 S N 0.909 116.633 115.700 0.041 0.000 2.565 368 S HA 0.263 4.733 4.470 0.001 0.000 0.274 368 S C -1.750 172.818 174.600 -0.053 0.000 1.309 368 S CA -1.295 56.927 58.200 0.037 0.000 1.043 368 S CB 0.685 63.939 63.200 0.090 0.000 0.939 368 S HN 0.411 nan 8.310 nan 0.000 0.504 369 P HA -0.003 nan 4.420 nan 0.000 0.223 369 P C 0.221 177.191 177.300 -0.551 0.000 1.151 369 P CA 0.503 63.429 63.100 -0.289 0.000 0.787 369 P CB 0.000 31.495 31.700 -0.342 0.000 0.788 370 R N 1.149 121.344 120.500 -0.510 0.000 2.316 370 R HA 0.057 4.397 4.340 0.001 0.000 0.314 370 R C 1.059 177.234 176.300 -0.207 0.000 1.069 370 R CA 0.146 55.953 56.100 -0.489 0.000 0.959 370 R CB 0.344 30.555 30.300 -0.147 0.000 0.987 370 R HN 0.056 nan 8.270 nan 0.000 0.446 371 Q N 1.397 121.095 119.800 -0.170 0.000 2.423 371 Q HA 0.169 4.509 4.340 0.001 0.000 0.231 371 Q C -0.016 175.935 176.000 -0.082 0.000 0.894 371 Q CA 0.389 56.142 55.803 -0.084 0.000 0.938 371 Q CB 0.893 29.596 28.738 -0.057 0.000 1.079 371 Q HN 0.450 nan 8.270 nan 0.000 0.552 372 S N 0.468 116.108 115.700 -0.100 0.000 2.600 372 S HA 0.743 5.214 4.470 0.001 0.000 0.300 372 S C -0.669 173.730 174.600 -0.336 0.000 1.087 372 S CA -0.612 57.443 58.200 -0.242 0.000 0.965 372 S CB 1.630 64.678 63.200 -0.253 0.000 1.089 372 S HN 0.067 nan 8.310 nan 0.000 0.496 373 L N 1.737 122.579 121.223 -0.635 0.000 2.431 373 L HA 0.630 4.970 4.340 0.001 0.000 0.266 373 L C -1.629 174.534 176.870 -1.178 0.000 0.978 373 L CA -0.393 53.987 54.840 -0.767 0.000 0.822 373 L CB 1.339 42.922 42.059 -0.795 0.000 1.310 373 L HN 0.549 nan 8.230 nan 0.000 0.409 374 F N 2.096 121.663 119.950 -0.639 0.000 2.482 374 F HA 0.624 5.151 4.527 0.000 0.000 0.331 374 F C -0.537 174.826 175.800 -0.728 0.000 1.115 374 F CA -0.508 57.185 58.000 -0.512 0.000 0.955 374 F CB 1.388 40.227 39.000 -0.269 0.000 1.136 374 F HN 0.070 nan 8.300 nan 0.000 0.452 375 F N 2.463 122.433 119.950 0.032 0.000 2.467 375 F HA 0.533 5.061 4.527 0.001 0.000 0.336 375 F C -0.775 175.013 175.800 -0.019 0.000 1.123 375 F CA -1.362 56.660 58.000 0.036 0.000 0.964 375 F CB 1.158 40.169 39.000 0.018 0.000 1.136 375 F HN 0.296 nan 8.300 nan 0.000 0.447 376 Y N 3.522 123.907 120.300 0.142 0.000 2.487 376 Y HA 0.525 5.075 4.550 0.001 0.000 0.337 376 Y C -2.123 173.706 175.900 -0.118 0.000 1.076 376 Y CA -2.344 55.743 58.100 -0.023 0.000 1.115 376 Y CB 1.466 39.850 38.460 -0.125 0.000 1.235 376 Y HN 0.344 nan 8.280 nan 0.000 0.468 377 P HA 0.141 nan 4.420 nan 0.000 0.279 377 P C -0.145 177.065 177.300 -0.150 0.000 1.276 377 P CA -0.267 62.644 63.100 -0.314 0.000 0.801 377 P CB 1.545 32.664 31.700 -0.968 0.000 1.127 378 S N -0.803 114.865 115.700 -0.053 0.000 2.382 378 S HA -0.117 4.353 4.470 0.001 0.000 0.228 378 S C 0.474 174.926 174.600 -0.246 0.000 1.027 378 S CA 1.457 59.613 58.200 -0.073 0.000 0.991 378 S CB -0.785 62.471 63.200 0.094 0.000 0.823 378 S HN 0.493 nan 8.310 nan 0.000 0.469 379 Y N 2.711 122.971 120.300 -0.066 0.000 2.960 379 Y HA 0.381 4.932 4.550 0.002 0.000 0.343 379 Y C -2.094 173.753 175.900 -0.088 0.000 1.106 379 Y CA -3.039 55.044 58.100 -0.029 0.000 1.221 379 Y CB 0.123 38.591 38.460 0.012 0.000 1.232 379 Y HN 0.176 nan 8.280 nan 0.000 0.577 380 P HA 0.297 nan 4.420 nan 0.000 0.279 380 P C -0.872 176.491 177.300 0.105 0.000 1.282 380 P CA -0.206 62.872 63.100 -0.036 0.000 0.788 380 P CB 1.917 33.489 31.700 -0.213 0.000 1.139 381 D N -3.772 116.750 120.400 0.203 0.000 2.683 381 D HA 0.109 4.749 4.640 0.001 0.000 0.246 381 D C -0.034 176.131 176.300 -0.225 0.000 1.238 381 D CA -0.636 53.376 54.000 0.020 0.000 0.759 381 D CB 0.245 41.044 40.800 -0.001 0.000 1.349 381 D HN 0.240 nan 8.370 nan 0.000 0.426 382 E N -0.002 119.871 120.200 -0.546 0.000 2.371 382 E HA 0.028 4.379 4.350 0.001 0.000 0.194 382 E C 1.492 177.927 176.600 -0.274 0.000 1.012 382 E CA 0.269 56.271 56.400 -0.663 0.000 0.860 382 E CB 0.387 29.611 29.700 -0.793 0.000 0.811 382 E HN 0.361 nan 8.360 nan 0.000 0.502 383 V N 0.824 120.636 119.914 -0.169 0.000 2.379 383 V HA -0.187 3.933 4.120 0.001 0.000 0.245 383 V C 2.113 178.175 176.094 -0.053 0.000 1.044 383 V CA 1.598 63.845 62.300 -0.089 0.000 1.036 383 V CB -0.231 31.558 31.823 -0.057 0.000 0.664 383 V HN 0.176 nan 8.190 nan 0.000 0.453 384 R N -0.560 119.897 120.500 -0.072 0.000 2.140 384 R HA 0.295 4.635 4.340 0.001 0.000 0.213 384 R C 1.454 177.794 176.300 0.066 0.000 1.059 384 R CA 0.688 56.722 56.100 -0.111 0.000 1.000 384 R CB -0.174 29.838 30.300 -0.480 0.000 0.910 384 R HN 0.567 nan 8.270 nan 0.000 0.455 385 G N 0.946 109.821 108.800 0.124 0.000 2.569 385 G HA2 -0.326 3.635 3.960 0.001 0.000 0.259 385 G HA3 -0.326 3.635 3.960 0.001 0.000 0.259 385 G C 0.050 175.076 174.900 0.210 0.000 1.263 385 G CA -0.104 45.133 45.100 0.229 0.000 0.928 385 G HN 0.281 nan 8.290 nan 0.000 0.572 386 V N -1.894 117.975 119.914 -0.075 0.000 2.763 386 V HA 0.526 4.646 4.120 0.001 0.000 0.306 386 V C 1.388 177.663 176.094 0.302 0.000 1.059 386 V CA 0.667 62.815 62.300 -0.254 0.000 1.138 386 V CB 0.835 32.473 31.823 -0.308 0.000 0.940 386 V HN 0.745 nan 8.190 nan 0.000 0.489 387 F N 2.266 122.277 119.950 0.101 0.000 2.262 387 F HA 0.592 5.119 4.527 0.001 0.000 0.292 387 F C 1.311 177.346 175.800 0.391 0.000 1.081 387 F CA 0.655 58.861 58.000 0.343 0.000 1.355 387 F CB -0.074 39.084 39.000 0.265 0.000 1.069 387 F HN 0.848 nan 8.300 nan 0.000 0.506 388 A N -0.486 122.610 122.820 0.460 0.000 2.498 388 A HA 0.730 5.051 4.320 0.001 0.000 0.298 388 A C -1.571 176.198 177.584 0.309 0.000 1.075 388 A CA -0.509 51.696 52.037 0.279 0.000 0.714 388 A CB 1.570 20.551 19.000 -0.031 0.000 1.299 388 A HN -0.152 nan 8.150 nan 0.000 0.407 389 V N 1.186 121.221 119.914 0.203 0.000 2.841 389 V HA 0.645 4.765 4.120 0.001 0.000 0.310 389 V C -0.240 175.838 176.094 -0.027 0.000 1.090 389 V CA -0.653 61.656 62.300 0.015 0.000 0.930 389 V CB 2.050 33.920 31.823 0.077 0.000 1.014 389 V HN 0.981 nan 8.190 nan 0.000 0.425 390 R N 1.743 122.155 120.500 -0.146 0.000 2.437 390 R HA 0.736 5.076 4.340 0.001 0.000 0.310 390 R C -1.211 175.002 176.300 -0.145 0.000 0.955 390 R CA -0.196 55.850 56.100 -0.089 0.000 0.851 390 R CB 1.841 32.101 30.300 -0.066 0.000 1.161 390 R HN 0.770 nan 8.270 nan 0.000 0.446 391 T N 3.156 117.692 114.554 -0.030 0.000 2.890 391 T HA 0.482 4.832 4.350 0.001 0.000 0.295 391 T C 0.174 174.905 174.700 0.052 0.000 0.993 391 T CA 0.371 62.464 62.100 -0.011 0.000 0.979 391 T CB 1.565 70.441 68.868 0.012 0.000 0.967 391 T HN 0.950 nan 8.240 nan 0.000 0.441 392 G N 4.083 112.893 108.800 0.016 0.000 2.591 392 G HA2 -0.332 3.628 3.960 0.001 0.000 0.298 392 G HA3 -0.332 3.628 3.960 0.001 0.000 0.298 392 G C 0.732 175.622 174.900 -0.016 0.000 1.195 392 G CA 0.863 45.974 45.100 0.018 0.000 0.989 392 G HN 0.912 nan 8.290 nan 0.000 0.551 393 K N -0.346 119.985 120.400 -0.114 0.000 2.374 393 K HA 0.438 4.758 4.320 0.001 0.000 0.196 393 K C 0.040 176.483 176.600 -0.261 0.000 1.023 393 K CA -0.032 56.126 56.287 -0.215 0.000 1.103 393 K CB 0.311 32.608 32.500 -0.337 0.000 0.848 393 K HN 0.447 nan 8.250 nan 0.000 0.528 394 Y N 1.873 122.183 120.300 0.016 0.000 2.361 394 Y HA 0.370 4.921 4.550 0.000 0.000 0.332 394 Y C -0.210 175.695 175.900 0.008 0.000 1.101 394 Y CA -0.957 57.153 58.100 0.016 0.000 1.137 394 Y CB 1.631 40.086 38.460 -0.009 0.000 1.207 394 Y HN -0.140 nan 8.280 nan 0.000 0.463 395 K N 1.978 122.499 120.400 0.202 0.000 2.426 395 K HA 0.821 5.141 4.320 0.001 0.000 0.254 395 K C -1.463 175.170 176.600 0.055 0.000 0.936 395 K CA -0.692 55.652 56.287 0.095 0.000 0.801 395 K CB 1.224 33.766 32.500 0.069 0.000 1.139 395 K HN 0.803 nan 8.250 nan 0.000 0.424 396 A N 4.017 126.796 122.820 -0.070 0.000 2.301 396 A HA 0.426 4.746 4.320 0.001 0.000 0.312 396 A C -1.067 176.325 177.584 -0.321 0.000 1.182 396 A CA -0.555 51.333 52.037 -0.248 0.000 0.826 396 A CB 0.488 19.258 19.000 -0.384 0.000 1.134 396 A HN 0.793 nan 8.150 nan 0.000 0.501 397 H N 2.913 121.791 119.070 -0.319 0.000 2.638 397 H HA 0.282 4.839 4.556 0.001 0.000 0.317 397 H C -0.371 174.720 175.328 -0.395 0.000 1.006 397 H CA -0.127 55.805 56.048 -0.193 0.000 1.222 397 H CB 1.069 30.774 29.762 -0.095 0.000 1.419 397 H HN 0.730 nan 8.280 nan 0.000 0.489 398 F N 1.505 121.449 119.950 -0.011 0.000 2.293 398 F HA 0.051 4.578 4.527 0.000 0.000 0.297 398 F C 0.347 175.736 175.800 -0.684 0.000 1.089 398 F CA 0.701 58.541 58.000 -0.268 0.000 1.377 398 F CB 0.246 39.117 39.000 -0.214 0.000 1.051 398 F HN 0.271 nan 8.300 nan 0.000 0.511 399 F N -1.602 118.293 119.950 -0.092 0.000 2.588 399 F HA 0.540 5.067 4.527 -0.000 0.000 0.310 399 F C 0.091 175.746 175.800 -0.243 0.000 1.082 399 F CA -0.995 56.726 58.000 -0.465 0.000 0.929 399 F CB 1.876 39.941 39.000 -1.558 0.000 1.254 399 F HN -0.540 nan 8.300 nan 0.000 0.455 400 T N 1.453 116.066 114.554 0.099 0.000 2.906 400 T HA 0.632 4.982 4.350 0.001 0.000 0.295 400 T C -1.840 172.997 174.700 0.229 0.000 1.075 400 T CA -0.596 61.605 62.100 0.167 0.000 1.005 400 T CB 1.994 71.026 68.868 0.274 0.000 1.136 400 T HN 0.688 nan 8.240 nan 0.000 0.498 401 Q N 0.916 120.864 119.800 0.248 0.000 2.518 401 Q HA 0.510 4.851 4.340 0.001 0.000 0.254 401 Q C -0.760 175.407 176.000 0.278 0.000 0.962 401 Q CA -0.715 55.254 55.803 0.277 0.000 0.982 401 Q CB 0.910 29.877 28.738 0.382 0.000 1.516 401 Q HN 0.888 nan 8.270 nan 0.000 0.426 402 G N 0.960 109.900 108.800 0.233 0.000 2.563 402 G HA2 0.591 4.552 3.960 0.001 0.000 0.283 402 G HA3 0.591 4.552 3.960 0.001 0.000 0.283 402 G C -0.869 174.146 174.900 0.191 0.000 1.309 402 G CA -0.087 45.145 45.100 0.219 0.000 1.022 402 G HN 0.422 nan 8.290 nan 0.000 0.501 403 S N -2.478 113.326 115.700 0.173 0.000 2.533 403 S HA 0.498 4.969 4.470 0.001 0.000 0.271 403 S C 0.923 175.574 174.600 0.086 0.000 1.143 403 S CA 0.320 58.611 58.200 0.151 0.000 0.891 403 S CB 1.440 64.776 63.200 0.227 0.000 1.105 403 S HN 1.259 nan 8.310 nan 0.000 0.468 404 A N 2.855 125.668 122.820 -0.012 0.000 2.076 404 A HA -0.104 4.217 4.320 0.001 0.000 0.220 404 A C 1.539 179.006 177.584 -0.194 0.000 1.160 404 A CA 1.473 53.439 52.037 -0.118 0.000 0.653 404 A CB -0.844 18.038 19.000 -0.198 0.000 0.801 404 A HN 0.925 nan 8.150 nan 0.000 0.455 405 H N -0.505 118.589 119.070 0.040 0.000 2.491 405 H HA 0.017 4.574 4.556 0.001 0.000 0.290 405 H C 1.416 176.757 175.328 0.022 0.000 1.050 405 H CA 1.423 57.485 56.048 0.022 0.000 1.309 405 H CB 0.061 29.846 29.762 0.039 0.000 1.392 405 H HN 0.466 nan 8.280 nan 0.000 0.554 406 S N 0.372 116.158 115.700 0.143 0.000 2.577 406 S HA 0.024 4.495 4.470 0.001 0.000 0.219 406 S C 0.466 175.124 174.600 0.097 0.000 0.962 406 S CA -0.332 57.936 58.200 0.114 0.000 0.921 406 S CB 0.452 63.732 63.200 0.134 0.000 0.789 406 S HN 0.283 nan 8.310 nan 0.000 0.497 407 D N 1.974 122.402 120.400 0.046 0.000 2.352 407 D HA 0.103 4.744 4.640 0.001 0.000 0.238 407 D C 1.335 177.599 176.300 -0.060 0.000 1.286 407 D CA 1.813 55.798 54.000 -0.025 0.000 0.923 407 D CB 0.432 41.164 40.800 -0.113 0.000 1.146 407 D HN 0.356 nan 8.370 nan 0.000 0.471 408 T N -4.694 109.742 114.554 -0.196 0.000 5.979 408 T HA -0.197 4.153 4.350 0.001 0.000 0.273 408 T C 0.507 175.186 174.700 -0.035 0.000 2.195 408 T CA 1.563 63.572 62.100 -0.151 0.000 3.693 408 T CB -2.561 66.253 68.868 -0.091 0.000 0.944 408 T HN 0.574 nan 8.240 nan 0.000 1.117 409 T N -1.043 113.560 114.554 0.081 0.000 2.862 409 T HA 0.843 5.194 4.350 0.001 0.000 0.276 409 T C 1.685 176.502 174.700 0.195 0.000 0.974 409 T CA -0.136 62.022 62.100 0.098 0.000 0.966 409 T CB 1.381 70.281 68.868 0.054 0.000 1.072 409 T HN 1.024 nan 8.240 nan 0.000 0.538 410 A N -0.335 122.531 122.820 0.077 0.000 2.119 410 A HA 0.129 4.450 4.320 0.001 0.000 0.216 410 A C 1.040 178.615 177.584 -0.015 0.000 1.152 410 A CA 0.492 52.558 52.037 0.049 0.000 0.708 410 A CB -0.628 18.375 19.000 0.004 0.000 0.805 410 A HN 0.839 nan 8.150 nan 0.000 0.460 411 D N -0.274 120.078 120.400 -0.080 0.000 2.316 411 D HA 0.264 4.904 4.640 0.001 0.000 0.245 411 D C -1.875 174.159 176.300 -0.442 0.000 1.171 411 D CA -2.204 51.670 54.000 -0.210 0.000 0.856 411 D CB 1.411 42.080 40.800 -0.219 0.000 1.090 411 D HN 0.034 nan 8.370 nan 0.000 0.476 412 P HA 0.031 nan 4.420 nan 0.000 0.227 412 P C 0.918 177.915 177.300 -0.504 0.000 1.161 412 P CA 0.483 63.156 63.100 -0.712 0.000 0.788 412 P CB 0.214 31.735 31.700 -0.299 0.000 0.822 413 A N -0.504 122.118 122.820 -0.331 0.000 2.015 413 A HA -0.153 4.167 4.320 0.001 0.000 0.219 413 A C 2.188 179.683 177.584 -0.149 0.000 1.163 413 A CA 1.381 53.301 52.037 -0.194 0.000 0.646 413 A CB -1.736 17.086 19.000 -0.297 0.000 0.806 413 A HN 0.234 nan 8.150 nan 0.000 0.448 414 c N -0.625 117.831 118.600 -0.240 0.000 2.448 414 c HA 0.075 4.646 4.570 0.001 0.000 0.280 414 c C 1.223 175.379 174.090 0.111 0.000 1.398 414 c CA -0.541 55.766 56.329 -0.037 0.000 1.774 414 c CB -1.866 40.628 42.510 -0.026 0.000 1.888 414 c HN 0.595 nan 8.230 nan 0.000 0.519 415 H N -0.220 118.860 119.070 0.016 0.000 2.679 415 H HA 0.295 4.851 4.556 -0.000 0.000 0.369 415 H C 1.370 176.719 175.328 0.035 0.000 1.178 415 H CA -0.054 56.003 56.048 0.016 0.000 1.419 415 H CB 0.722 30.485 29.762 0.000 0.000 1.458 415 H HN 0.216 nan 8.280 nan 0.000 0.605 416 A N 1.349 124.266 122.820 0.161 0.000 2.067 416 A HA -0.174 4.146 4.320 0.001 0.000 0.219 416 A C 2.216 179.851 177.584 0.086 0.000 1.158 416 A CA 1.436 53.527 52.037 0.090 0.000 0.661 416 A CB -0.678 18.339 19.000 0.028 0.000 0.801 416 A HN 0.742 nan 8.150 nan 0.000 0.452 417 S N -0.335 115.430 115.700 0.109 0.000 2.515 417 S HA 0.025 4.495 4.470 0.001 0.000 0.231 417 S C 0.786 175.435 174.600 0.082 0.000 0.987 417 S CA 0.553 58.804 58.200 0.084 0.000 0.936 417 S CB -0.413 62.837 63.200 0.084 0.000 0.766 417 S HN 0.287 nan 8.310 nan 0.000 0.528 418 S N 3.630 119.386 115.700 0.092 0.000 2.498 418 S HA 0.356 4.827 4.470 0.001 0.000 0.314 418 S C 0.550 175.209 174.600 0.098 0.000 1.141 418 S CA -0.542 57.706 58.200 0.080 0.000 1.087 418 S CB 0.095 63.342 63.200 0.078 0.000 1.178 418 S HN 0.677 nan 8.310 nan 0.000 0.533 419 S N 3.075 118.823 115.700 0.080 0.000 2.645 419 S HA 0.429 4.900 4.470 0.001 0.000 0.266 419 S C 0.158 174.820 174.600 0.103 0.000 1.258 419 S CA -1.008 57.242 58.200 0.084 0.000 0.990 419 S CB 0.239 63.472 63.200 0.056 0.000 0.967 419 S HN 0.472 nan 8.310 nan 0.000 0.556 420 L N 2.181 123.476 121.223 0.120 0.000 2.737 420 L HA 0.172 4.512 4.340 0.001 0.000 0.275 420 L C -0.209 176.717 176.870 0.093 0.000 1.179 420 L CA 1.355 56.285 54.840 0.149 0.000 0.970 420 L CB -1.080 41.074 42.059 0.159 0.000 1.268 420 L HN 0.845 nan 8.230 nan 0.000 0.485 421 T N 5.387 119.974 114.554 0.055 0.000 2.824 421 T HA 0.757 5.108 4.350 0.001 0.000 0.282 421 T C -0.102 174.440 174.700 -0.264 0.000 0.993 421 T CA -0.147 61.897 62.100 -0.093 0.000 0.967 421 T CB 1.478 70.263 68.868 -0.139 0.000 0.960 421 T HN 0.851 nan 8.240 nan 0.000 0.441 422 A N 2.604 125.244 122.820 -0.300 0.000 2.322 422 A HA 0.640 4.961 4.320 0.001 0.000 0.269 422 A C -0.672 176.460 177.584 -0.753 0.000 1.094 422 A CA -0.356 51.387 52.037 -0.489 0.000 0.807 422 A CB 0.088 18.937 19.000 -0.251 0.000 1.047 422 A HN 0.990 nan 8.150 nan 0.000 0.487 423 H N 0.126 118.976 119.070 -0.367 0.000 2.906 423 H HA 0.488 5.044 4.556 0.000 0.000 0.324 423 H C -0.954 174.243 175.328 -0.219 0.000 0.973 423 H CA -0.221 55.687 56.048 -0.234 0.000 1.321 423 H CB 1.356 30.983 29.762 -0.224 0.000 1.535 423 H HN 0.728 nan 8.280 nan 0.000 0.518 424 E N 4.238 124.397 120.200 -0.067 0.000 2.316 424 E HA 0.266 4.617 4.350 0.001 0.000 0.254 424 E C -2.369 174.208 176.600 -0.038 0.000 0.902 424 E CA -1.950 54.420 56.400 -0.051 0.000 0.801 424 E CB 1.268 30.942 29.700 -0.043 0.000 1.270 424 E HN 0.480 nan 8.360 nan 0.000 0.414 425 P HA 0.042 nan 4.420 nan 0.000 0.269 425 P C 0.143 177.380 177.300 -0.106 0.000 1.209 425 P CA -0.377 62.683 63.100 -0.067 0.000 0.776 425 P CB 0.289 31.944 31.700 -0.076 0.000 0.876 426 L N 1.222 122.337 121.223 -0.180 0.000 2.503 426 L HA 0.095 4.435 4.340 0.001 0.000 0.287 426 L C -0.635 176.053 176.870 -0.303 0.000 1.252 426 L CA -0.066 54.571 54.840 -0.339 0.000 0.835 426 L CB -0.108 41.588 42.059 -0.606 0.000 1.099 426 L HN 0.205 nan 8.230 nan 0.000 0.516 427 L N 3.269 124.287 121.223 -0.342 0.000 2.331 427 L HA 0.344 4.684 4.340 0.001 0.000 0.278 427 L C -0.244 176.367 176.870 -0.432 0.000 1.106 427 L CA -0.271 54.333 54.840 -0.394 0.000 0.824 427 L CB 1.285 43.110 42.059 -0.390 0.000 1.142 427 L HN 0.536 nan 8.230 nan 0.000 0.443 428 L N 4.677 125.548 121.223 -0.586 0.000 2.376 428 L HA 0.522 4.863 4.340 0.001 0.000 0.275 428 L C -1.314 175.200 176.870 -0.594 0.000 0.987 428 L CA -0.040 54.526 54.840 -0.457 0.000 0.828 428 L CB 1.238 43.130 42.059 -0.278 0.000 1.249 428 L HN 0.245 nan 8.230 nan 0.000 0.409 429 Y N 2.108 122.472 120.300 0.106 0.000 2.499 429 Y HA 0.502 5.052 4.550 0.000 0.000 0.347 429 Y C -0.451 175.545 175.900 0.160 0.000 0.987 429 Y CA -1.001 57.171 58.100 0.120 0.000 1.044 429 Y CB 1.801 40.316 38.460 0.093 0.000 1.245 429 Y HN 0.515 nan 8.280 nan 0.000 0.461 430 D N 2.499 123.063 120.400 0.273 0.000 2.392 430 D HA 0.236 4.877 4.640 0.001 0.000 0.228 430 D C 0.186 176.516 176.300 0.049 0.000 1.074 430 D CA -0.134 53.899 54.000 0.055 0.000 0.838 430 D CB 1.092 41.893 40.800 0.003 0.000 1.067 430 D HN 0.650 nan 8.370 nan 0.000 0.511 431 L N 2.747 123.974 121.223 0.007 0.000 2.395 431 L HA -0.080 4.261 4.340 0.001 0.000 0.218 431 L C 2.287 179.149 176.870 -0.013 0.000 1.130 431 L CA 0.718 55.572 54.840 0.024 0.000 0.826 431 L CB -0.295 41.792 42.059 0.047 0.000 0.941 431 L HN 0.402 nan 8.230 nan 0.000 0.451 432 S N -0.200 115.465 115.700 -0.059 0.000 2.453 432 S HA -0.106 4.365 4.470 0.001 0.000 0.231 432 S C 1.717 176.292 174.600 -0.040 0.000 1.005 432 S CA 0.613 58.771 58.200 -0.071 0.000 0.949 432 S CB 0.008 63.143 63.200 -0.109 0.000 0.774 432 S HN 0.484 nan 8.310 nan 0.000 0.510 433 K N -0.025 120.369 120.400 -0.011 0.000 2.399 433 K HA 0.227 4.548 4.320 0.001 0.000 0.196 433 K C -0.142 176.500 176.600 0.069 0.000 1.117 433 K CA 0.489 56.790 56.287 0.023 0.000 0.965 433 K CB 0.252 32.770 32.500 0.031 0.000 0.983 433 K HN 0.233 nan 8.250 nan 0.000 0.531 434 D N 1.755 122.207 120.400 0.086 0.000 2.607 434 D HA 0.139 4.779 4.640 0.001 0.000 0.318 434 D C -1.900 174.411 176.300 0.018 0.000 1.212 434 D CA -2.370 51.691 54.000 0.101 0.000 0.861 434 D CB 0.999 41.930 40.800 0.219 0.000 1.064 434 D HN -0.139 nan 8.370 nan 0.000 0.500 435 P HA -0.054 nan 4.420 nan 0.000 0.218 435 P C 1.448 178.681 177.300 -0.111 0.000 1.148 435 P CA 0.733 63.802 63.100 -0.052 0.000 0.822 435 P CB 0.164 31.833 31.700 -0.051 0.000 0.784 436 G N -0.306 108.420 108.800 -0.123 0.000 2.708 436 G HA2 -0.156 3.804 3.960 0.001 0.000 0.210 436 G HA3 -0.156 3.804 3.960 0.001 0.000 0.210 436 G C 0.438 175.155 174.900 -0.305 0.000 1.141 436 G CA -0.007 44.982 45.100 -0.186 0.000 0.788 436 G HN 0.286 nan 8.290 nan 0.000 0.531 437 E N -0.732 119.243 120.200 -0.375 0.000 2.320 437 E HA -0.178 4.173 4.350 0.001 0.000 0.234 437 E C 0.755 176.921 176.600 -0.723 0.000 1.183 437 E CA 0.226 56.144 56.400 -0.803 0.000 0.713 437 E CB -0.849 28.415 29.700 -0.726 0.000 1.226 437 E HN 0.466 nan 8.360 nan 0.000 0.382 438 N N -0.630 117.746 118.700 -0.540 0.000 2.402 438 N HA -0.022 4.718 4.740 0.001 0.000 0.174 438 N C -0.192 175.032 175.510 -0.477 0.000 1.027 438 N CA 0.951 53.586 53.050 -0.692 0.000 0.891 438 N CB 0.367 38.002 38.487 -1.420 0.000 1.016 438 N HN 0.165 nan 8.380 nan 0.000 0.439 439 Y N 1.346 121.807 120.300 0.268 0.000 2.464 439 Y HA 0.271 4.821 4.550 0.000 0.000 0.326 439 Y C 0.166 176.138 175.900 0.121 0.000 0.969 439 Y CA -1.353 56.846 58.100 0.165 0.000 1.270 439 Y CB 0.013 38.530 38.460 0.096 0.000 1.103 439 Y HN -0.072 nan 8.280 nan 0.000 0.491 440 N N 3.869 122.629 118.700 0.100 0.000 2.440 440 N HA 0.035 4.775 4.740 0.001 0.000 0.265 440 N C 0.639 176.075 175.510 -0.123 0.000 1.239 440 N CA -0.050 52.864 53.050 -0.226 0.000 0.909 440 N CB 0.738 39.111 38.487 -0.191 0.000 1.066 440 N HN 0.774 nan 8.380 nan 0.000 0.474 441 L N 3.285 124.416 121.223 -0.154 0.000 2.478 441 L HA -0.059 4.282 4.340 0.001 0.000 0.223 441 L C 1.215 178.032 176.870 -0.089 0.000 1.140 441 L CA 0.233 55.035 54.840 -0.063 0.000 0.842 441 L CB -0.036 42.005 42.059 -0.031 0.000 0.953 441 L HN 0.652 nan 8.230 nan 0.000 0.452 442 L N 0.036 121.179 121.223 -0.133 0.000 2.653 442 L HA 0.272 4.613 4.340 0.001 0.000 0.231 442 L C 1.615 178.434 176.870 -0.085 0.000 1.153 442 L CA -0.004 54.769 54.840 -0.111 0.000 0.933 442 L CB -1.071 40.902 42.059 -0.143 0.000 1.175 442 L HN 0.046 nan 8.230 nan 0.000 0.473 449 T N 2.443 116.980 114.554 -0.029 0.000 2.788 449 T HA 0.321 4.672 4.350 0.001 0.000 0.333 449 T C -1.734 172.948 174.700 -0.030 0.000 1.090 449 T CA 0.431 62.519 62.100 -0.021 0.000 1.094 449 T CB 0.801 69.665 68.868 -0.007 0.000 0.999 449 T HN 0.243 nan 8.240 nan 0.000 0.549 450 P HA 0.075 nan 4.420 nan 0.000 0.227 450 P C 1.288 178.569 177.300 -0.031 0.000 1.161 450 P CA 0.407 63.492 63.100 -0.024 0.000 0.788 450 P CB 0.217 31.910 31.700 -0.012 0.000 0.822 451 E N -0.202 119.988 120.200 -0.016 0.000 2.107 451 E HA -0.083 4.268 4.350 0.001 0.000 0.191 451 E C 1.758 178.286 176.600 -0.120 0.000 0.982 451 E CA 0.894 57.290 56.400 -0.007 0.000 0.809 451 E CB -0.105 29.639 29.700 0.074 0.000 0.756 451 E HN 0.005 nan 8.360 nan 0.000 0.459 452 V N 1.089 120.923 119.914 -0.133 0.000 2.323 452 V HA -0.238 3.882 4.120 0.001 0.000 0.244 452 V C 2.383 178.347 176.094 -0.217 0.000 1.041 452 V CA 1.074 63.230 62.300 -0.240 0.000 1.025 452 V CB -0.342 31.396 31.823 -0.141 0.000 0.656 452 V HN 0.228 nan 8.190 nan 0.000 0.451 453 L N 0.392 121.538 121.223 -0.128 0.000 2.131 453 L HA -0.185 4.155 4.340 0.001 0.000 0.210 453 L C 2.840 179.648 176.870 -0.103 0.000 1.092 453 L CA 2.511 57.289 54.840 -0.103 0.000 0.759 453 L CB -1.029 40.991 42.059 -0.066 0.000 0.903 453 L HN 0.514 nan 8.230 nan 0.000 0.435 454 Q N -1.151 118.588 119.800 -0.102 0.000 2.123 454 Q HA -0.020 4.320 4.340 0.001 0.000 0.199 454 Q C 2.386 178.315 176.000 -0.117 0.000 0.966 454 Q CA 1.541 57.297 55.803 -0.078 0.000 0.845 454 Q CB -1.139 27.571 28.738 -0.046 0.000 0.907 454 Q HN 0.580 nan 8.270 nan 0.000 0.439 455 A N 0.470 123.148 122.820 -0.235 0.000 1.930 455 A HA 0.101 4.421 4.320 0.001 0.000 0.217 455 A C 2.353 179.812 177.584 -0.209 0.000 1.175 455 A CA 1.706 53.555 52.037 -0.312 0.000 0.627 455 A CB -0.439 18.019 19.000 -0.902 0.000 0.815 455 A HN 0.890 nan 8.150 nan 0.000 0.443 456 L N -0.216 120.885 121.223 -0.204 0.000 2.046 456 L HA -0.113 4.227 4.340 0.001 0.000 0.208 456 L C 2.041 178.884 176.870 -0.046 0.000 1.077 456 L CA 2.425 57.189 54.840 -0.127 0.000 0.747 456 L CB -0.555 41.426 42.059 -0.130 0.000 0.896 456 L HN 0.307 nan 8.230 nan 0.000 0.432 457 K N -0.479 119.895 120.400 -0.043 0.000 2.097 457 K HA -0.151 4.169 4.320 0.001 0.000 0.205 457 K C 2.379 178.987 176.600 0.013 0.000 1.050 457 K CA 1.691 57.974 56.287 -0.008 0.000 0.938 457 K CB -0.443 32.047 32.500 -0.016 0.000 0.718 457 K HN 0.631 nan 8.250 nan 0.000 0.442 458 Q N 1.424 121.226 119.800 0.003 0.000 2.016 458 Q HA -0.071 4.269 4.340 0.001 0.000 0.200 458 Q C 2.118 178.153 176.000 0.058 0.000 0.978 458 Q CA 1.563 57.382 55.803 0.026 0.000 0.833 458 Q CB -1.070 27.677 28.738 0.014 0.000 0.895 458 Q HN 0.320 nan 8.270 nan 0.000 0.427 459 L N 0.145 121.404 121.223 0.060 0.000 2.079 459 L HA -0.263 4.077 4.340 0.001 0.000 0.210 459 L C 2.960 179.979 176.870 0.248 0.000 1.081 459 L CA 1.759 56.684 54.840 0.142 0.000 0.752 459 L CB -0.424 41.708 42.059 0.122 0.000 0.896 459 L HN 0.512 nan 8.230 nan 0.000 0.433 460 Q N -0.495 119.430 119.800 0.208 0.000 2.119 460 Q HA -0.199 4.142 4.340 0.001 0.000 0.201 460 Q C 2.241 178.290 176.000 0.081 0.000 0.972 460 Q CA 1.164 57.092 55.803 0.208 0.000 0.847 460 Q CB -0.118 28.714 28.738 0.156 0.000 0.903 460 Q HN 0.353 nan 8.270 nan 0.000 0.433 461 L N 0.282 121.548 121.223 0.071 0.000 2.095 461 L HA -0.077 4.263 4.340 0.001 0.000 0.204 461 L C 1.858 178.766 176.870 0.063 0.000 1.080 461 L CA 1.326 56.194 54.840 0.046 0.000 0.759 461 L CB -0.186 41.898 42.059 0.041 0.000 0.914 461 L HN 0.158 nan 8.230 nan 0.000 0.439 462 L N -0.209 121.080 121.223 0.111 0.000 2.131 462 L HA -0.236 4.105 4.340 0.001 0.000 0.210 462 L C 2.581 179.564 176.870 0.190 0.000 1.092 462 L CA 1.805 56.762 54.840 0.196 0.000 0.759 462 L CB -0.701 41.519 42.059 0.268 0.000 0.903 462 L HN 0.354 nan 8.230 nan 0.000 0.435 463 K N 0.820 121.263 120.400 0.071 0.000 2.057 463 K HA -0.126 4.194 4.320 0.001 0.000 0.206 463 K C 2.126 178.663 176.600 -0.106 0.000 1.050 463 K CA 1.311 57.545 56.287 -0.088 0.000 0.935 463 K CB -0.147 32.050 32.500 -0.504 0.000 0.715 463 K HN 0.183 nan 8.250 nan 0.000 0.439 464 A N 1.000 123.769 122.820 -0.085 0.000 1.969 464 A HA -0.134 4.187 4.320 0.001 0.000 0.218 464 A C 2.023 179.580 177.584 -0.045 0.000 1.169 464 A CA 1.239 53.236 52.037 -0.066 0.000 0.635 464 A CB -0.390 18.583 19.000 -0.044 0.000 0.810 464 A HN 0.505 nan 8.150 nan 0.000 0.445 465 Q N -1.062 118.722 119.800 -0.028 0.000 2.046 465 Q HA -0.097 4.243 4.340 0.001 0.000 0.200 465 Q C 2.141 178.097 176.000 -0.072 0.000 0.975 465 Q CA 1.479 57.263 55.803 -0.032 0.000 0.836 465 Q CB -0.259 28.477 28.738 -0.003 0.000 0.896 465 Q HN 0.639 nan 8.270 nan 0.000 0.428 466 L N 0.987 122.138 121.223 -0.119 0.000 2.027 466 L HA -0.205 4.136 4.340 0.001 0.000 0.206 466 L C 1.587 178.398 176.870 -0.099 0.000 1.074 466 L CA 1.724 56.436 54.840 -0.213 0.000 0.745 466 L CB -0.247 41.513 42.059 -0.499 0.000 0.898 466 L HN 0.125 nan 8.230 nan 0.000 0.433 467 D N -0.021 120.341 120.400 -0.064 0.000 2.123 467 D HA -0.184 4.457 4.640 0.001 0.000 0.196 467 D C 2.169 178.457 176.300 -0.021 0.000 0.992 467 D CA 1.524 55.518 54.000 -0.010 0.000 0.833 467 D CB -0.166 40.618 40.800 -0.027 0.000 0.954 467 D HN 0.526 nan 8.370 nan 0.000 0.455 468 A N 0.554 123.352 122.820 -0.037 0.000 1.969 468 A HA 0.072 4.392 4.320 0.001 0.000 0.218 468 A C 2.175 179.741 177.584 -0.030 0.000 1.169 468 A CA 1.785 53.803 52.037 -0.033 0.000 0.635 468 A CB -0.264 18.717 19.000 -0.031 0.000 0.810 468 A HN 0.233 nan 8.150 nan 0.000 0.445 469 A N -1.120 121.679 122.820 -0.036 0.000 2.147 469 A HA 0.442 4.763 4.320 0.001 0.000 0.211 469 A C 0.705 178.273 177.584 -0.027 0.000 1.160 469 A CA 0.284 52.299 52.037 -0.037 0.000 0.781 469 A CB -0.029 18.936 19.000 -0.057 0.000 0.842 469 A HN 0.229 nan 8.150 nan 0.000 0.475 470 V N 2.419 122.330 119.914 -0.004 0.000 2.383 470 V HA 0.347 4.468 4.120 0.001 0.000 0.275 470 V C 0.149 176.291 176.094 0.080 0.000 1.036 470 V CA -0.025 62.293 62.300 0.029 0.000 0.889 470 V CB 1.114 32.978 31.823 0.068 0.000 0.985 470 V HN 0.501 nan 8.190 nan 0.000 0.459 471 T N 3.404 118.000 114.554 0.070 0.000 2.829 471 T HA 0.610 4.960 4.350 0.001 0.000 0.282 471 T C -0.423 174.397 174.700 0.200 0.000 0.990 471 T CA -0.580 61.572 62.100 0.088 0.000 1.028 471 T CB 0.896 69.786 68.868 0.037 0.000 0.951 471 T HN 0.143 nan 8.240 nan 0.000 0.460 472 F N 1.926 121.835 119.950 -0.069 0.000 2.471 472 F HA 0.488 5.015 4.527 0.000 0.000 0.353 472 F C 1.500 177.309 175.800 0.014 0.000 1.113 472 F CA -0.800 57.159 58.000 -0.069 0.000 1.262 472 F CB 0.146 39.077 39.000 -0.116 0.000 1.146 472 F HN 0.891 nan 8.300 nan 0.000 0.578 473 G N 3.593 112.494 108.800 0.169 0.000 2.483 473 G HA2 0.351 4.311 3.960 0.001 0.000 0.248 473 G HA3 0.351 4.311 3.960 0.001 0.000 0.248 473 G C -2.604 172.396 174.900 0.167 0.000 1.248 473 G CA -1.169 43.996 45.100 0.110 0.000 0.838 473 G HN 0.364 nan 8.290 nan 0.000 0.566 474 P HA 0.043 nan 4.420 nan 0.000 0.264 474 P C 0.287 177.512 177.300 -0.125 0.000 1.193 474 P CA -0.017 63.102 63.100 0.030 0.000 0.763 474 P CB 1.034 32.736 31.700 0.003 0.000 0.810 475 S N 2.705 118.261 115.700 -0.240 0.000 2.525 475 S HA -0.030 4.441 4.470 0.001 0.000 0.285 475 S C 1.446 175.842 174.600 -0.340 0.000 1.283 475 S CA -0.281 57.576 58.200 -0.572 0.000 1.072 475 S CB 0.000 62.856 63.200 -0.574 0.000 0.867 475 S HN 0.284 nan 8.310 nan 0.000 0.492 476 Q N 3.688 123.273 119.800 -0.357 0.000 2.046 476 Q HA -0.057 4.283 4.340 0.001 0.000 0.200 476 Q C 2.267 178.132 176.000 -0.224 0.000 0.975 476 Q CA 1.353 57.001 55.803 -0.257 0.000 0.836 476 Q CB -0.706 27.858 28.738 -0.291 0.000 0.896 476 Q HN 0.728 nan 8.270 nan 0.000 0.428 477 V N 1.039 120.787 119.914 -0.277 0.000 2.720 477 V HA -0.160 3.960 4.120 0.001 0.000 0.256 477 V C 1.910 177.928 176.094 -0.127 0.000 1.082 477 V CA 1.518 63.705 62.300 -0.189 0.000 1.101 477 V CB -0.767 30.937 31.823 -0.198 0.000 0.693 477 V HN 0.264 nan 8.190 nan 0.000 0.479 478 A N -0.610 122.129 122.820 -0.137 0.000 2.307 478 A HA 0.090 4.410 4.320 0.001 0.000 0.218 478 A C 2.102 179.659 177.584 -0.044 0.000 1.228 478 A CA 0.025 52.023 52.037 -0.065 0.000 0.857 478 A CB -0.400 18.572 19.000 -0.046 0.000 0.897 478 A HN 0.451 nan 8.150 nan 0.000 0.495 479 R N -0.411 120.056 120.500 -0.055 0.000 2.285 479 R HA 0.204 4.545 4.340 0.001 0.000 0.213 479 R C 1.163 177.461 176.300 -0.003 0.000 1.068 479 R CA 0.621 56.707 56.100 -0.023 0.000 1.004 479 R CB -0.183 30.105 30.300 -0.020 0.000 0.873 479 R HN 0.676 nan 8.270 nan 0.000 0.467 480 G N 0.658 109.454 108.800 -0.007 0.000 2.610 480 G HA2 -0.219 3.742 3.960 0.001 0.000 0.304 480 G HA3 -0.219 3.742 3.960 0.001 0.000 0.304 480 G C -1.157 173.752 174.900 0.015 0.000 1.309 480 G CA -0.787 44.316 45.100 0.006 0.000 0.906 480 G HN 0.230 nan 8.290 nan 0.000 0.521 481 E N -0.065 120.147 120.200 0.019 0.000 2.238 481 E HA 0.511 4.861 4.350 0.001 0.000 0.267 481 E C -1.479 175.138 176.600 0.028 0.000 0.887 481 E CA -0.787 55.628 56.400 0.024 0.000 0.769 481 E CB 2.409 32.119 29.700 0.017 0.000 1.187 481 E HN 0.401 nan 8.360 nan 0.000 0.416 482 D N 3.253 123.675 120.400 0.037 0.000 2.473 482 D HA 0.212 4.852 4.640 0.001 0.000 0.253 482 D C -2.041 174.282 176.300 0.038 0.000 1.233 482 D CA -2.333 51.689 54.000 0.037 0.000 0.908 482 D CB 1.865 42.691 40.800 0.044 0.000 1.170 482 D HN 0.033 nan 8.370 nan 0.000 0.558 483 P HA -0.158 nan 4.420 nan 0.000 0.217 483 P C 1.061 178.382 177.300 0.036 0.000 1.151 483 P CA 1.152 64.268 63.100 0.028 0.000 0.849 483 P CB 0.233 31.944 31.700 0.019 0.000 0.787 484 A N -1.405 121.436 122.820 0.035 0.000 2.178 484 A HA -0.124 4.196 4.320 0.001 0.000 0.218 484 A C 1.742 179.357 177.584 0.051 0.000 1.157 484 A CA 1.148 53.208 52.037 0.037 0.000 0.689 484 A CB -1.264 17.754 19.000 0.030 0.000 0.787 484 A HN 0.095 nan 8.150 nan 0.000 0.465 485 L N -0.448 120.813 121.223 0.064 0.000 2.558 485 L HA 0.111 4.452 4.340 0.001 0.000 0.225 485 L C 0.986 177.920 176.870 0.107 0.000 1.128 485 L CA 0.556 55.449 54.840 0.088 0.000 0.868 485 L CB -0.793 41.328 42.059 0.104 0.000 1.006 485 L HN 0.435 nan 8.230 nan 0.000 0.454 486 Q N 0.329 120.183 119.800 0.091 0.000 2.274 486 Q HA 0.074 4.414 4.340 0.001 0.000 0.280 486 Q C -0.015 176.052 176.000 0.113 0.000 1.047 486 Q CA -0.012 55.858 55.803 0.112 0.000 0.907 486 Q CB 0.743 29.530 28.738 0.082 0.000 1.171 486 Q HN 0.192 nan 8.270 nan 0.000 0.381 487 I N 1.691 122.343 120.570 0.136 0.000 2.845 487 I HA -0.176 3.994 4.170 0.001 0.000 0.296 487 I C 0.056 176.226 176.117 0.088 0.000 1.216 487 I CA 0.449 61.812 61.300 0.105 0.000 1.438 487 I CB 0.308 38.365 38.000 0.096 0.000 1.342 487 I HN 0.580 nan 8.210 nan 0.000 0.577 488 c N 7.136 125.781 118.600 0.074 0.000 2.381 488 c HA 0.241 4.812 4.570 0.001 0.000 0.328 488 c C 1.486 175.625 174.090 0.082 0.000 1.190 488 c CA -0.829 55.546 56.329 0.076 0.000 1.369 488 c CB 0.392 42.943 42.510 0.067 0.000 2.029 488 c HN 1.115 nan 8.230 nan 0.000 0.448 489 c N 2.368 121.019 118.600 0.086 0.000 2.403 489 c HA -0.135 4.436 4.570 0.001 0.000 0.279 489 c C 1.326 175.476 174.090 0.099 0.000 1.269 489 c CA 1.432 57.805 56.329 0.074 0.000 1.774 489 c CB -1.547 41.000 42.510 0.061 0.000 1.993 489 c HN 0.883 nan 8.230 nan 0.000 0.496 490 H N 0.013 119.093 119.070 0.017 0.000 2.348 490 H HA 0.316 4.873 4.556 0.001 0.000 0.232 490 H C -2.463 172.879 175.328 0.023 0.000 1.419 490 H CA -1.862 54.195 56.048 0.015 0.000 1.416 490 H CB 0.528 30.302 29.762 0.020 0.000 1.510 490 H HN 0.261 nan 8.280 nan 0.000 0.507 491 P HA -0.038 nan 4.420 nan 0.000 0.266 491 P C 1.188 178.553 177.300 0.110 0.000 1.193 491 P CA 1.749 64.928 63.100 0.133 0.000 0.770 491 P CB 0.740 32.502 31.700 0.103 0.000 0.836 492 G N 0.838 109.651 108.800 0.022 0.000 2.270 492 G HA2 -0.376 3.585 3.960 0.001 0.000 0.268 492 G HA3 -0.376 3.585 3.960 0.001 0.000 0.268 492 G C 0.660 175.483 174.900 -0.129 0.000 0.982 492 G CA 0.474 45.562 45.100 -0.019 0.000 0.628 492 G HN 0.962 nan 8.290 nan 0.000 0.544 493 c N 0.109 118.501 118.600 -0.346 0.000 2.935 493 c HA 0.623 5.194 4.570 0.001 0.000 0.316 493 c C 0.998 174.956 174.090 -0.220 0.000 1.364 493 c CA 0.884 56.890 56.329 -0.538 0.000 1.917 493 c CB 0.008 41.993 42.510 -0.874 0.000 2.288 493 c HN 1.894 nan 8.230 nan 0.000 0.720 494 T N -3.065 111.386 114.554 -0.172 0.000 2.885 494 T HA 0.713 5.064 4.350 0.001 0.000 0.322 494 T C -3.190 171.476 174.700 -0.056 0.000 1.387 494 T CA -0.779 61.270 62.100 -0.084 0.000 1.041 494 T CB 0.869 69.706 68.868 -0.052 0.000 1.287 494 T HN 0.853 nan 8.240 nan 0.000 0.491 495 P HA 0.380 nan 4.420 nan 0.000 0.276 495 P C -0.555 176.728 177.300 -0.029 0.000 1.235 495 P CA -0.559 62.524 63.100 -0.028 0.000 0.772 495 P CB 0.602 32.291 31.700 -0.019 0.000 0.871 496 R N 3.861 124.346 120.500 -0.025 0.000 2.401 496 R HA 0.180 4.520 4.340 0.001 0.000 0.299 496 R C -1.293 175.000 176.300 -0.012 0.000 1.064 496 R CA -0.949 55.141 56.100 -0.016 0.000 1.000 496 R CB 0.353 30.647 30.300 -0.010 0.000 0.973 496 R HN 0.456 nan 8.270 nan 0.000 0.438 497 P HA 0.167 nan 4.420 nan 0.000 0.268 497 P C 0.489 177.776 177.300 -0.022 0.000 1.248 497 P CA 0.075 63.170 63.100 -0.007 0.000 0.851 497 P CB 0.616 32.315 31.700 -0.001 0.000 1.238 498 A N 0.637 123.431 122.820 -0.045 0.000 2.019 498 A HA -0.189 4.132 4.320 0.001 0.000 0.219 498 A C 2.278 179.801 177.584 -0.102 0.000 1.164 498 A CA 1.705 53.683 52.037 -0.099 0.000 0.644 498 A CB -1.703 17.242 19.000 -0.093 0.000 0.805 498 A HN 0.480 nan 8.150 nan 0.000 0.449 499 c N -1.682 116.910 118.600 -0.013 0.000 2.446 499 c HA 0.118 4.688 4.570 0.001 0.000 0.279 499 c C 1.286 175.473 174.090 0.162 0.000 1.366 499 c CA -0.793 55.581 56.329 0.074 0.000 1.763 499 c CB -2.299 40.210 42.510 -0.002 0.000 1.929 499 c HN 0.546 nan 8.230 nan 0.000 0.509 500 c N 3.093 121.747 118.600 0.090 0.000 2.651 500 c HA 0.598 5.168 4.570 0.001 0.000 0.410 500 c C 0.120 174.352 174.090 0.237 0.000 1.372 500 c CA 0.475 56.888 56.329 0.140 0.000 1.707 500 c CB -2.405 40.157 42.510 0.087 0.000 2.501 500 c HN 0.963 nan 8.230 nan 0.000 0.598 501 H N -0.734 118.364 119.070 0.045 0.000 2.893 501 H HA 0.436 4.993 4.556 0.001 0.000 0.251 501 H C -0.880 174.466 175.328 0.030 0.000 1.388 501 H CA -0.433 55.633 56.048 0.029 0.000 1.321 501 H CB 0.000 29.774 29.762 0.020 0.000 1.828 501 H HN 1.309 nan 8.280 nan 0.000 0.455 502 c N 1.929 120.466 118.600 -0.105 0.000 2.491 502 c HA 0.266 4.836 4.570 0.001 0.000 0.384 502 c C -3.179 170.865 174.090 -0.076 0.000 0.776 502 c CA -0.172 56.063 56.329 -0.158 0.000 1.125 502 c CB -1.173 41.288 42.510 -0.082 0.000 1.382 502 c HN 0.943 nan 8.230 nan 0.000 0.571 503 P HA 0.000 nan 4.420 nan 0.000 0.216 503 P CA 0.000 63.083 63.100 -0.029 0.000 0.800 503 P CB 0.000 31.699 31.700 -0.002 0.000 0.726