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 1n2l_1_A 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 MADAQRQDRP 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 SLTAHEPPLL YDLSKDPGEN YNLLGGXXXA TPEVLQALKQ LQLLKAQLDA DATA SEQUENCE AVTFGPSQVA RGEDPALQIc cHPGcTPRPA ccHcPD 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 0.000 176.317 176.300 0.028 0.000 0.893 19 R CA 0.000 56.106 56.100 0.011 0.000 0.921 19 R CB 0.000 30.299 30.300 -0.002 0.000 0.687 20 P HA 0.480 nan 4.420 nan 0.000 0.272 20 P C -2.550 174.740 177.300 -0.018 0.000 1.240 20 P CA -0.899 62.228 63.100 0.046 0.000 0.791 20 P CB 0.583 32.354 31.700 0.117 0.000 0.978 21 P HA 0.133 nan 4.420 nan 0.000 0.276 21 P C -0.576 176.566 177.300 -0.263 0.000 1.244 21 P CA -0.413 62.567 63.100 -0.201 0.000 0.801 21 P CB 0.617 31.971 31.700 -0.576 0.000 1.006 22 N N 1.818 120.281 118.700 -0.395 0.000 2.439 22 N HA 0.217 4.957 4.740 0.001 0.000 0.243 22 N C 0.105 175.350 175.510 -0.443 0.000 1.088 22 N CA -0.083 52.586 53.050 -0.636 0.000 0.940 22 N CB 0.069 37.913 38.487 -1.071 0.000 1.180 22 N HN 0.364 nan 8.380 nan 0.000 0.505 23 I N 1.633 122.099 120.570 -0.174 0.000 2.441 23 I HA 0.144 4.314 4.170 0.001 0.000 0.287 23 I C 0.142 176.391 176.117 0.220 0.000 1.049 23 I CA -0.515 60.787 61.300 0.003 0.000 1.381 23 I CB 0.889 38.917 38.000 0.047 0.000 1.409 23 I HN -0.017 nan 8.210 nan 0.000 0.523 24 V N 7.541 127.574 119.914 0.199 0.000 2.357 24 V HA 0.233 4.354 4.120 0.001 0.000 0.281 24 V C -0.483 175.760 176.094 0.249 0.000 1.015 24 V CA -0.520 61.938 62.300 0.263 0.000 0.827 24 V CB 1.590 33.575 31.823 0.270 0.000 1.018 24 V HN 0.422 nan 8.190 nan 0.000 0.432 25 L N 7.278 128.659 121.223 0.263 0.000 2.272 25 L HA 0.610 4.951 4.340 0.001 0.000 0.284 25 L C -0.319 176.732 176.870 0.301 0.000 1.045 25 L CA 0.266 55.258 54.840 0.253 0.000 0.842 25 L CB 0.585 42.787 42.059 0.239 0.000 1.224 25 L HN 0.495 nan 8.230 nan 0.000 0.430 26 I N 4.903 125.633 120.570 0.267 0.000 2.365 26 I HA 0.218 4.388 4.170 0.001 0.000 0.291 26 I C -0.819 175.373 176.117 0.125 0.000 1.004 26 I CA -0.183 61.254 61.300 0.229 0.000 1.311 26 I CB 0.913 39.102 38.000 0.315 0.000 1.401 26 I HN 0.510 nan 8.210 nan 0.000 0.491 27 F N 6.221 126.071 119.950 -0.166 0.000 2.676 27 F HA 0.571 5.099 4.527 0.001 0.000 0.371 27 F C 0.465 176.077 175.800 -0.312 0.000 1.141 27 F CA -0.971 56.910 58.000 -0.198 0.000 1.133 27 F CB 0.654 39.708 39.000 0.089 0.000 1.376 27 F HN 0.495 nan 8.300 nan 0.000 0.491 28 A N 2.619 125.103 122.820 -0.559 0.000 2.429 28 A HA 0.323 4.643 4.320 0.001 0.000 0.242 28 A C -0.397 176.924 177.584 -0.437 0.000 1.088 28 A CA -0.015 51.748 52.037 -0.457 0.000 0.784 28 A CB 0.148 18.896 19.000 -0.419 0.000 1.038 28 A HN 0.587 nan 8.150 nan 0.000 0.501 29 D N 0.080 120.350 120.400 -0.217 0.000 2.408 29 D HA 0.414 5.054 4.640 0.001 0.000 0.243 29 D C -1.004 175.294 176.300 -0.002 0.000 1.075 29 D CA 0.153 54.100 54.000 -0.089 0.000 0.832 29 D CB 0.707 41.562 40.800 0.092 0.000 1.162 29 D HN 0.491 nan 8.370 nan 0.000 0.515 30 D N 1.664 122.044 120.400 -0.033 0.000 2.699 30 D HA -0.210 4.431 4.640 0.001 0.000 0.239 30 D C -0.715 175.616 176.300 0.051 0.000 1.136 30 D CA 0.374 54.372 54.000 -0.003 0.000 0.668 30 D CB -1.000 39.788 40.800 -0.021 0.000 1.060 30 D HN 0.250 nan 8.370 nan 0.000 0.429 31 L N 0.140 121.362 121.223 -0.003 0.000 2.309 31 L HA 0.695 5.035 4.340 0.001 0.000 0.282 31 L C 0.988 177.875 176.870 0.028 0.000 1.036 31 L CA -0.170 54.703 54.840 0.055 0.000 0.806 31 L CB 1.675 43.735 42.059 0.002 0.000 1.220 31 L HN 0.072 nan 8.230 nan 0.000 0.429 32 G N 2.137 110.973 108.800 0.060 0.000 2.528 32 G HA2 0.110 4.071 3.960 0.001 0.000 0.289 32 G HA3 0.110 4.071 3.960 0.001 0.000 0.289 32 G C -0.031 174.879 174.900 0.016 0.000 1.192 32 G CA -0.152 44.973 45.100 0.043 0.000 0.921 32 G HN 0.748 nan 8.290 nan 0.000 0.512 33 Y N 0.386 120.646 120.300 -0.066 0.000 2.293 33 Y HA 0.036 4.587 4.550 0.001 0.000 0.291 33 Y C 2.272 178.145 175.900 -0.044 0.000 1.137 33 Y CA 1.914 59.952 58.100 -0.103 0.000 1.202 33 Y CB 0.252 38.700 38.460 -0.021 0.000 0.990 33 Y HN 0.451 nan 8.280 nan 0.000 0.537 34 G N -0.985 107.905 108.800 0.149 0.000 3.820 34 G HA2 0.061 4.021 3.960 0.001 0.000 0.293 34 G HA3 0.061 4.021 3.960 0.001 0.000 0.293 34 G C 0.501 175.521 174.900 0.200 0.000 1.152 34 G CA 0.031 45.235 45.100 0.174 0.000 0.921 34 G HN 0.244 nan 8.290 nan 0.000 0.544 35 D N 0.307 120.761 120.400 0.090 0.000 2.269 35 D HA 0.079 4.720 4.640 0.001 0.000 0.220 35 D C 1.534 177.873 176.300 0.065 0.000 0.962 35 D CA 0.081 54.129 54.000 0.081 0.000 0.884 35 D CB 0.319 41.182 40.800 0.105 0.000 1.023 35 D HN 0.217 nan 8.370 nan 0.000 0.484 36 L N 0.805 122.049 121.223 0.035 0.000 2.483 36 L HA 0.117 4.458 4.340 0.001 0.000 0.275 36 L C 1.994 178.948 176.870 0.140 0.000 1.220 36 L CA -0.047 54.830 54.840 0.062 0.000 0.833 36 L CB 0.705 42.808 42.059 0.072 0.000 1.102 36 L HN 0.042 nan 8.230 nan 0.000 0.490 37 G N 0.808 109.664 108.800 0.093 0.000 2.408 37 G HA2 -0.233 3.728 3.960 0.001 0.000 0.217 37 G HA3 -0.233 3.728 3.960 0.001 0.000 0.217 37 G C 1.417 176.373 174.900 0.093 0.000 1.150 37 G CA 0.865 46.024 45.100 0.098 0.000 0.776 37 G HN 0.900 nan 8.290 nan 0.000 0.542 38 C N -1.905 117.448 119.300 0.088 0.000 2.539 38 C HA 0.356 4.817 4.460 0.001 0.000 0.271 38 C C 1.846 176.817 174.990 -0.033 0.000 1.412 38 C CA -0.468 58.567 59.018 0.028 0.000 1.729 38 C CB -1.608 26.136 27.740 0.007 0.000 1.739 38 C HN 0.336 nan 8.230 nan 0.000 0.570 39 Y N 1.023 121.307 120.300 -0.027 0.000 2.467 39 Y HA 0.421 4.972 4.550 0.001 0.000 0.250 39 Y C 1.974 177.872 175.900 -0.003 0.000 1.155 39 Y CA 0.797 58.860 58.100 -0.063 0.000 1.249 39 Y CB 0.342 38.700 38.460 -0.170 0.000 1.146 39 Y HN 0.420 nan 8.280 nan 0.000 0.524 40 G N -0.744 108.141 108.800 0.142 0.000 2.175 40 G HA2 -0.227 3.733 3.960 0.001 0.000 0.182 40 G HA3 -0.227 3.733 3.960 0.001 0.000 0.182 40 G C -0.162 174.793 174.900 0.091 0.000 1.003 40 G CA -0.393 44.768 45.100 0.102 0.000 0.666 40 G HN 0.366 nan 8.290 nan 0.000 0.506 41 H N 1.489 120.601 119.070 0.070 0.000 2.646 41 H HA 0.345 4.901 4.556 0.001 0.000 0.325 41 H C -0.914 174.438 175.328 0.041 0.000 1.075 41 H CA -0.651 55.429 56.048 0.053 0.000 1.421 41 H CB 1.698 31.495 29.762 0.057 0.000 1.461 41 H HN 0.061 nan 8.280 nan 0.000 0.525 42 P HA -0.136 nan 4.420 nan 0.000 0.216 42 P C 1.162 178.548 177.300 0.143 0.000 1.153 42 P CA 1.683 64.778 63.100 -0.008 0.000 0.848 42 P CB 0.455 32.085 31.700 -0.116 0.000 0.787 43 S N -3.289 112.619 115.700 0.347 0.000 2.514 43 S HA 0.155 4.626 4.470 0.001 0.000 0.223 43 S C 1.021 175.724 174.600 0.172 0.000 1.046 43 S CA -0.284 58.058 58.200 0.236 0.000 0.914 43 S CB -0.690 62.631 63.200 0.201 0.000 0.807 43 S HN -0.122 nan 8.310 nan 0.000 0.497 44 S N 2.726 118.527 115.700 0.169 0.000 2.558 44 S HA 0.218 4.689 4.470 0.001 0.000 0.293 44 S C -0.193 174.424 174.600 0.028 0.000 1.292 44 S CA 0.248 58.434 58.200 -0.023 0.000 1.063 44 S CB 0.330 63.440 63.200 -0.150 0.000 0.831 44 S HN 0.491 nan 8.310 nan 0.000 0.499 45 T N 2.999 117.551 114.554 -0.004 0.000 2.874 45 T HA 0.431 4.781 4.350 0.001 0.000 0.321 45 T C 0.264 174.946 174.700 -0.029 0.000 1.075 45 T CA -0.702 61.398 62.100 0.001 0.000 0.966 45 T CB 0.490 69.366 68.868 0.014 0.000 1.001 45 T HN 0.679 nan 8.240 nan 0.000 0.476 46 T N 0.881 115.418 114.554 -0.028 0.000 3.658 46 T HA 0.342 4.693 4.350 0.001 0.000 0.245 46 T C -2.433 172.236 174.700 -0.051 0.000 1.292 46 T CA -1.579 60.485 62.100 -0.061 0.000 1.598 46 T CB 0.907 69.724 68.868 -0.085 0.000 0.861 46 T HN 0.067 nan 8.240 nan 0.000 0.663 47 P HA -0.127 nan 4.420 nan 0.000 0.213 47 P C 1.689 178.964 177.300 -0.042 0.000 1.170 47 P CA 1.166 64.253 63.100 -0.021 0.000 0.902 47 P CB 0.117 31.816 31.700 -0.002 0.000 0.789 48 N N -0.634 118.034 118.700 -0.054 0.000 2.104 48 N HA -0.124 4.617 4.740 0.001 0.000 0.190 48 N C 1.814 177.246 175.510 -0.129 0.000 1.024 48 N CA 1.160 54.163 53.050 -0.079 0.000 0.853 48 N CB -0.938 37.510 38.487 -0.066 0.000 1.008 48 N HN 0.184 nan 8.380 nan 0.000 0.424 49 L N 0.935 122.058 121.223 -0.167 0.000 2.141 49 L HA -0.132 4.208 4.340 0.001 0.000 0.209 49 L C 1.570 178.356 176.870 -0.141 0.000 1.094 49 L CA 0.924 55.619 54.840 -0.242 0.000 0.763 49 L CB -0.253 41.570 42.059 -0.393 0.000 0.908 49 L HN 0.001 nan 8.230 nan 0.000 0.437 50 D N -0.332 120.018 120.400 -0.083 0.000 2.144 50 D HA -0.182 4.458 4.640 0.001 0.000 0.200 50 D C 2.270 178.558 176.300 -0.019 0.000 0.978 50 D CA 1.054 55.035 54.000 -0.032 0.000 0.833 50 D CB -0.080 40.711 40.800 -0.015 0.000 0.961 50 D HN 0.381 nan 8.370 nan 0.000 0.470 51 Q N -0.280 119.500 119.800 -0.034 0.000 2.119 51 Q HA -0.065 4.275 4.340 0.001 0.000 0.201 51 Q C 2.149 178.140 176.000 -0.015 0.000 0.972 51 Q CA 0.403 56.197 55.803 -0.015 0.000 0.847 51 Q CB -0.038 28.682 28.738 -0.029 0.000 0.903 51 Q HN 0.180 nan 8.270 nan 0.000 0.433 52 L N 0.484 121.647 121.223 -0.100 0.000 2.083 52 L HA -0.105 4.236 4.340 0.001 0.000 0.209 52 L C 2.084 179.016 176.870 0.103 0.000 1.083 52 L CA 1.780 56.525 54.840 -0.158 0.000 0.752 52 L CB -0.432 41.488 42.059 -0.233 0.000 0.899 52 L HN 0.115 nan 8.230 nan 0.000 0.433 53 A N -1.255 121.604 122.820 0.065 0.000 2.016 53 A HA 0.161 4.482 4.320 0.001 0.000 0.217 53 A C 2.313 179.957 177.584 0.100 0.000 1.162 53 A CA 1.037 53.136 52.037 0.104 0.000 0.662 53 A CB -0.695 18.340 19.000 0.058 0.000 0.812 53 A HN 0.460 nan 8.150 nan 0.000 0.450 54 A N -0.808 122.064 122.820 0.087 0.000 2.067 54 A HA 0.325 4.645 4.320 0.001 0.000 0.217 54 A C 1.901 179.559 177.584 0.123 0.000 1.156 54 A CA 1.296 53.380 52.037 0.078 0.000 0.683 54 A CB -0.502 18.531 19.000 0.055 0.000 0.808 54 A HN 0.724 nan 8.150 nan 0.000 0.455 55 G N -1.201 107.732 108.800 0.222 0.000 3.502 55 G HA2 0.484 4.445 3.960 0.001 0.000 0.267 55 G HA3 0.484 4.445 3.960 0.001 0.000 0.267 55 G C 0.344 175.413 174.900 0.283 0.000 1.090 55 G CA 0.562 45.837 45.100 0.292 0.000 0.795 55 G HN 0.949 nan 8.290 nan 0.000 0.535 56 G N -0.654 108.306 108.800 0.266 0.000 2.576 56 G HA2 0.429 4.390 3.960 0.001 0.000 0.290 56 G HA3 0.429 4.390 3.960 0.001 0.000 0.290 56 G C -0.725 174.287 174.900 0.186 0.000 1.442 56 G CA -0.998 44.237 45.100 0.224 0.000 0.792 56 G HN 0.153 nan 8.290 nan 0.000 0.491 57 L N 0.206 121.528 121.223 0.165 0.000 2.554 57 L HA 0.178 4.518 4.340 0.001 0.000 0.293 57 L C 0.903 177.895 176.870 0.203 0.000 1.252 57 L CA 0.452 55.361 54.840 0.115 0.000 0.862 57 L CB 0.495 42.606 42.059 0.087 0.000 1.113 57 L HN 0.577 nan 8.230 nan 0.000 0.510 58 R N 3.318 123.888 120.500 0.116 0.000 2.521 58 R HA 0.314 4.654 4.340 0.001 0.000 0.295 58 R C -1.311 175.115 176.300 0.210 0.000 1.183 58 R CA -0.663 55.558 56.100 0.203 0.000 0.957 58 R CB 0.626 30.951 30.300 0.041 0.000 1.171 58 R HN 0.227 nan 8.270 nan 0.000 0.494 59 F N 1.828 121.913 119.950 0.226 0.000 2.484 59 F HA 0.123 4.650 4.527 0.001 0.000 0.360 59 F C 1.848 177.871 175.800 0.372 0.000 1.101 59 F CA 0.218 58.404 58.000 0.311 0.000 1.251 59 F CB 1.680 40.943 39.000 0.439 0.000 1.132 59 F HN 0.541 nan 8.300 nan 0.000 0.570 60 T N -3.216 111.667 114.554 0.549 0.000 2.990 60 T HA 0.178 4.528 4.350 0.001 0.000 0.250 60 T C 0.018 175.064 174.700 0.577 0.000 1.041 60 T CA 0.066 62.517 62.100 0.584 0.000 1.010 60 T CB -0.120 69.062 68.868 0.525 0.000 1.003 60 T HN 0.387 nan 8.240 nan 0.000 0.499 61 D N 0.835 121.561 120.400 0.544 0.000 2.513 61 D HA 0.434 5.074 4.640 0.001 0.000 0.295 61 D C -1.784 174.853 176.300 0.563 0.000 1.202 61 D CA -0.385 53.898 54.000 0.472 0.000 0.849 61 D CB 0.394 41.482 40.800 0.481 0.000 1.116 61 D HN 0.281 nan 8.370 nan 0.000 0.502 62 F N 1.878 121.980 119.950 0.254 0.000 2.467 62 F HA 0.521 5.048 4.527 0.001 0.000 0.336 62 F C -1.245 174.588 175.800 0.054 0.000 1.123 62 F CA -0.662 57.482 58.000 0.239 0.000 0.964 62 F CB 0.691 39.768 39.000 0.128 0.000 1.136 62 F HN 0.016 nan 8.300 nan 0.000 0.447 63 Y N 3.599 123.922 120.300 0.039 0.000 2.659 63 Y HA 0.717 5.268 4.550 0.001 0.000 0.333 63 Y C -0.526 175.470 175.900 0.160 0.000 1.064 63 Y CA -1.270 56.954 58.100 0.207 0.000 1.141 63 Y CB 1.794 40.429 38.460 0.290 0.000 1.316 63 Y HN 0.443 nan 8.280 nan 0.000 0.509 64 V N -0.997 119.188 119.914 0.451 0.000 2.709 64 V HA 0.484 4.605 4.120 0.001 0.000 0.308 64 V C -2.381 173.924 176.094 0.352 0.000 1.062 64 V CA -2.206 60.288 62.300 0.325 0.000 0.901 64 V CB 2.028 34.027 31.823 0.293 0.000 1.003 64 V HN 0.612 nan 8.190 nan 0.000 0.425 65 P HA -0.073 nan 4.420 nan 0.000 0.215 65 P C 0.429 177.900 177.300 0.285 0.000 1.153 65 P CA 1.267 64.490 63.100 0.205 0.000 0.853 65 P CB 0.321 32.085 31.700 0.106 0.000 0.788 66 V N -0.739 119.295 119.914 0.200 0.000 2.876 66 V HA 0.273 4.394 4.120 0.001 0.000 0.312 66 V C 0.732 176.894 176.094 0.113 0.000 1.085 66 V CA -0.507 61.882 62.300 0.148 0.000 0.945 66 V CB 1.847 33.706 31.823 0.059 0.000 1.017 66 V HN -0.092 nan 8.190 nan 0.000 0.428 67 S N 3.651 119.397 115.700 0.077 0.000 2.994 67 S HA 0.538 5.008 4.470 0.001 0.000 0.247 67 S C -0.306 174.276 174.600 -0.029 0.000 1.323 67 S CA -0.052 58.169 58.200 0.036 0.000 1.246 67 S CB -1.082 62.137 63.200 0.033 0.000 0.994 67 S HN 0.474 nan 8.310 nan 0.000 0.484 71 P HA -0.086 nan 4.420 nan 0.000 0.215 71 P C 1.741 179.001 177.300 -0.066 0.000 1.153 71 P CA 1.684 64.708 63.100 -0.126 0.000 0.853 71 P CB -0.101 31.536 31.700 -0.106 0.000 0.788 72 S N -0.015 115.680 115.700 -0.009 0.000 2.353 72 S HA -0.176 4.295 4.470 0.001 0.000 0.222 72 S C 2.189 176.859 174.600 0.117 0.000 1.035 72 S CA 1.294 59.549 58.200 0.092 0.000 1.025 72 S CB -0.628 62.660 63.200 0.147 0.000 0.902 72 S HN 0.051 nan 8.310 nan 0.000 0.440 73 R N 0.676 121.243 120.500 0.112 0.000 2.096 73 R HA 0.027 4.367 4.340 0.001 0.000 0.235 73 R C 2.675 178.900 176.300 -0.125 0.000 1.127 73 R CA 1.209 57.347 56.100 0.063 0.000 0.968 73 R CB -0.607 29.733 30.300 0.066 0.000 0.861 73 R HN 0.519 nan 8.270 nan 0.000 0.440 74 A N 1.393 124.123 122.820 -0.150 0.000 1.877 74 A HA -0.133 4.187 4.320 0.001 0.000 0.216 74 A C 2.382 179.880 177.584 -0.143 0.000 1.186 74 A CA 1.759 53.690 52.037 -0.177 0.000 0.620 74 A CB -0.690 18.203 19.000 -0.178 0.000 0.822 74 A HN 0.394 nan 8.150 nan 0.000 0.443 75 A N -0.772 121.983 122.820 -0.108 0.000 1.969 75 A HA 0.031 4.352 4.320 0.001 0.000 0.218 75 A C 2.122 179.638 177.584 -0.114 0.000 1.169 75 A CA 1.597 53.577 52.037 -0.094 0.000 0.635 75 A CB -0.548 18.423 19.000 -0.049 0.000 0.810 75 A HN 0.661 nan 8.150 nan 0.000 0.445 76 L N -0.273 120.860 121.223 -0.149 0.000 1.994 76 L HA -0.106 4.235 4.340 0.001 0.000 0.208 76 L C 2.280 178.999 176.870 -0.252 0.000 1.071 76 L CA 1.800 56.491 54.840 -0.249 0.000 0.745 76 L CB -0.347 41.395 42.059 -0.529 0.000 0.892 76 L HN 0.397 nan 8.230 nan 0.000 0.431 77 L N -1.161 119.918 121.223 -0.241 0.000 2.072 77 L HA -0.108 4.232 4.340 0.001 0.000 0.205 77 L C 2.440 179.228 176.870 -0.137 0.000 1.079 77 L CA 1.577 56.307 54.840 -0.184 0.000 0.752 77 L CB -1.082 40.905 42.059 -0.119 0.000 0.906 77 L HN 0.489 nan 8.230 nan 0.000 0.436 78 T N -3.830 110.649 114.554 -0.126 0.000 3.054 78 T HA 0.126 4.476 4.350 0.001 0.000 0.259 78 T C 1.566 176.195 174.700 -0.118 0.000 1.092 78 T CA 0.598 62.632 62.100 -0.109 0.000 1.121 78 T CB 0.272 69.081 68.868 -0.099 0.000 0.912 78 T HN 0.458 nan 8.240 nan 0.000 0.489 79 G N 1.484 110.208 108.800 -0.126 0.000 2.155 79 G HA2 -0.268 3.693 3.960 0.001 0.000 0.257 79 G HA3 -0.268 3.693 3.960 0.001 0.000 0.257 79 G C 0.127 174.951 174.900 -0.126 0.000 0.983 79 G CA 0.265 45.290 45.100 -0.126 0.000 0.676 79 G HN 0.730 nan 8.290 nan 0.000 0.528 80 R N -1.144 119.284 120.500 -0.119 0.000 2.873 80 R HA 0.711 5.051 4.340 0.001 0.000 0.264 80 R C 0.427 176.656 176.300 -0.118 0.000 1.026 80 R CA -1.073 54.955 56.100 -0.121 0.000 1.002 80 R CB 1.119 31.348 30.300 -0.118 0.000 1.174 80 R HN 0.130 nan 8.270 nan 0.000 0.488 81 L N 3.243 124.392 121.223 -0.124 0.000 2.462 81 L HA 0.087 4.428 4.340 0.001 0.000 0.272 81 L C -1.503 175.242 176.870 -0.209 0.000 1.166 81 L CA -1.249 53.509 54.840 -0.136 0.000 0.880 81 L CB 0.673 42.658 42.059 -0.124 0.000 1.142 81 L HN 0.371 nan 8.230 nan 0.000 0.473 82 P HA -0.238 nan 4.420 nan 0.000 0.218 82 P C 1.600 178.725 177.300 -0.292 0.000 1.152 82 P CA 1.297 64.266 63.100 -0.218 0.000 0.857 82 P CB 0.050 31.642 31.700 -0.180 0.000 0.787 83 V N -2.637 116.944 119.914 -0.555 0.000 2.759 83 V HA -0.174 3.946 4.120 0.001 0.000 0.256 83 V C 2.106 177.898 176.094 -0.504 0.000 1.080 83 V CA 1.387 63.185 62.300 -0.837 0.000 1.101 83 V CB -1.229 29.452 31.823 -1.904 0.000 0.698 83 V HN 0.044 nan 8.190 nan 0.000 0.477 84 R N 1.288 121.581 120.500 -0.345 0.000 2.062 84 R HA 0.094 4.435 4.340 0.001 0.000 0.229 84 R C 2.282 178.504 176.300 -0.129 0.000 1.128 84 R CA 1.933 57.915 56.100 -0.197 0.000 0.960 84 R CB -0.425 29.779 30.300 -0.161 0.000 0.855 84 R HN 0.676 nan 8.270 nan 0.000 0.432 85 M N -0.983 118.533 119.600 -0.140 0.000 2.563 85 M HA 0.306 4.786 4.480 0.001 0.000 0.231 85 M C 0.588 176.796 176.300 -0.153 0.000 1.136 85 M CA 0.983 56.209 55.300 -0.124 0.000 1.026 85 M CB 0.641 33.166 32.600 -0.125 0.000 1.597 85 M HN 0.267 nan 8.290 nan 0.000 0.495 86 G N 1.919 110.630 108.800 -0.150 0.000 2.160 86 G HA2 -0.195 3.765 3.960 0.001 0.000 0.251 86 G HA3 -0.195 3.765 3.960 0.001 0.000 0.251 86 G C 0.082 174.720 174.900 -0.438 0.000 1.008 86 G CA 0.079 44.984 45.100 -0.324 0.000 0.724 86 G HN 0.473 nan 8.290 nan 0.000 0.514 87 M N 0.395 119.853 119.600 -0.236 0.000 3.742 87 M HA 0.423 4.903 4.480 0.001 0.000 0.197 87 M C 0.195 176.409 176.300 -0.144 0.000 1.417 87 M CA -0.548 54.617 55.300 -0.225 0.000 1.653 87 M CB -1.922 30.561 32.600 -0.193 0.000 1.079 87 M HN 0.605 nan 8.290 nan 0.000 0.558 88 Y N -1.446 118.713 120.300 -0.235 0.000 2.713 88 Y HA 0.865 5.415 4.550 0.001 0.000 0.335 88 Y C -3.371 172.407 175.900 -0.203 0.000 1.222 88 Y CA -2.535 55.417 58.100 -0.247 0.000 1.061 88 Y CB 0.781 39.091 38.460 -0.249 0.000 1.314 88 Y HN 0.026 nan 8.280 nan 0.000 0.453 89 P HA 0.517 nan 4.420 nan 0.000 0.290 89 P C 0.272 177.263 177.300 -0.515 0.000 1.283 89 P CA 0.805 63.779 63.100 -0.210 0.000 0.869 89 P CB 2.026 33.594 31.700 -0.219 0.000 1.100 90 G N 0.659 109.032 108.800 -0.710 0.000 2.601 90 G HA2 -0.112 3.849 3.960 0.001 0.000 0.252 90 G HA3 -0.112 3.849 3.960 0.001 0.000 0.252 90 G C -0.295 174.466 174.900 -0.232 0.000 1.294 90 G CA 0.068 44.882 45.100 -0.476 0.000 0.912 90 G HN 0.695 nan 8.290 nan 0.000 0.574 91 V N -2.055 117.788 119.914 -0.119 0.000 2.994 91 V HA 0.840 4.960 4.120 0.001 0.000 0.318 91 V C 0.897 176.975 176.094 -0.026 0.000 1.085 91 V CA -1.228 61.004 62.300 -0.114 0.000 0.998 91 V CB 1.632 33.426 31.823 -0.048 0.000 1.063 91 V HN 0.949 nan 8.190 nan 0.000 0.447 92 L N 2.548 123.772 121.223 0.003 0.000 2.349 92 L HA 0.561 4.901 4.340 0.001 0.000 0.275 92 L C 0.233 177.194 176.870 0.152 0.000 1.115 92 L CA -0.400 54.483 54.840 0.072 0.000 0.820 92 L CB 1.462 43.560 42.059 0.065 0.000 1.135 92 L HN 0.813 nan 8.230 nan 0.000 0.445 93 V N 0.927 120.847 119.914 0.010 0.000 3.096 93 V HA 0.472 4.592 4.120 0.001 0.000 0.319 93 V C -1.733 174.231 176.094 -0.216 0.000 1.082 93 V CA -1.366 60.868 62.300 -0.110 0.000 1.022 93 V CB 0.969 32.745 31.823 -0.079 0.000 1.103 93 V HN 0.600 nan 8.190 nan 0.000 0.455 94 P HA -0.132 nan 4.420 nan 0.000 0.216 94 P C 1.328 178.574 177.300 -0.089 0.000 1.150 94 P CA 2.189 65.005 63.100 -0.473 0.000 0.837 94 P CB 0.011 31.342 31.700 -0.615 0.000 0.786 95 S N -1.905 113.753 115.700 -0.069 0.000 2.671 95 S HA 0.135 4.605 4.470 0.001 0.000 0.220 95 S C 0.879 175.489 174.600 0.018 0.000 0.951 95 S CA -0.461 57.738 58.200 -0.002 0.000 0.932 95 S CB -0.901 62.295 63.200 -0.007 0.000 0.777 95 S HN -0.060 nan 8.310 nan 0.000 0.508 96 S N 1.825 117.535 115.700 0.016 0.000 2.572 96 S HA 0.272 4.743 4.470 0.001 0.000 0.279 96 S C 1.177 175.814 174.600 0.062 0.000 1.341 96 S CA -0.564 57.649 58.200 0.022 0.000 1.043 96 S CB 0.786 63.988 63.200 0.003 0.000 0.887 96 S HN 0.499 nan 8.310 nan 0.000 0.516 97 R N 1.112 121.641 120.500 0.048 0.000 2.189 97 R HA 0.120 4.460 4.340 0.001 0.000 0.203 97 R C 1.321 177.690 176.300 0.116 0.000 1.012 97 R CA 0.338 56.496 56.100 0.096 0.000 1.015 97 R CB -0.075 30.265 30.300 0.066 0.000 0.938 97 R HN 0.663 nan 8.270 nan 0.000 0.472 98 G N -0.289 108.488 108.800 -0.038 0.000 2.557 98 G HA2 0.548 4.508 3.960 0.001 0.000 0.292 98 G HA3 0.548 4.508 3.960 0.001 0.000 0.292 98 G C -0.379 174.182 174.900 -0.566 0.000 1.237 98 G CA 0.067 45.017 45.100 -0.252 0.000 0.978 98 G HN 0.304 nan 8.290 nan 0.000 0.498 99 G N -1.924 106.295 108.800 -0.968 0.000 2.349 99 G HA2 0.492 4.452 3.960 0.001 0.000 0.294 99 G HA3 0.492 4.452 3.960 0.001 0.000 0.294 99 G C -1.553 172.926 174.900 -0.702 0.000 1.380 99 G CA -0.837 43.696 45.100 -0.944 0.000 0.811 99 G HN 1.030 nan 8.290 nan 0.000 0.519 100 L N 1.681 122.711 121.223 -0.322 0.000 2.597 100 L HA 0.397 4.738 4.340 0.001 0.000 0.271 100 L C -1.900 174.974 176.870 0.007 0.000 1.157 100 L CA -1.324 53.436 54.840 -0.132 0.000 0.928 100 L CB -0.121 41.911 42.059 -0.045 0.000 1.216 100 L HN 0.189 nan 8.230 nan 0.000 0.481 101 P HA -0.048 nan 4.420 nan 0.000 0.264 101 P C 0.667 178.056 177.300 0.148 0.000 1.183 101 P CA 0.298 63.457 63.100 0.098 0.000 0.763 101 P CB 0.500 32.211 31.700 0.018 0.000 0.807 102 L N 2.994 124.335 121.223 0.197 0.000 2.275 102 L HA -0.171 4.169 4.340 0.001 0.000 0.215 102 L C 2.216 179.133 176.870 0.079 0.000 1.119 102 L CA 1.308 56.236 54.840 0.147 0.000 0.790 102 L CB -0.828 41.299 42.059 0.113 0.000 0.919 102 L HN 0.494 nan 8.230 nan 0.000 0.443 103 E N -0.376 119.859 120.200 0.058 0.000 2.204 103 E HA -0.122 4.229 4.350 0.001 0.000 0.194 103 E C 0.278 176.885 176.600 0.013 0.000 0.989 103 E CA 0.464 56.880 56.400 0.026 0.000 0.824 103 E CB -0.154 29.556 29.700 0.016 0.000 0.756 103 E HN 0.344 nan 8.360 nan 0.000 0.477 104 E N 2.161 122.371 120.200 0.017 0.000 2.324 104 E HA 0.084 4.434 4.350 0.001 0.000 0.271 104 E C -0.128 176.472 176.600 -0.001 0.000 1.028 104 E CA -0.088 56.309 56.400 -0.005 0.000 0.890 104 E CB 1.677 31.369 29.700 -0.014 0.000 1.004 104 E HN 0.206 nan 8.360 nan 0.000 0.431 105 V N 1.192 121.090 119.914 -0.026 0.000 2.461 105 V HA 0.385 4.505 4.120 0.001 0.000 0.275 105 V C 0.615 176.673 176.094 -0.059 0.000 1.047 105 V CA -0.731 61.546 62.300 -0.039 0.000 0.955 105 V CB 0.701 32.492 31.823 -0.053 0.000 0.988 105 V HN 0.663 nan 8.190 nan 0.000 0.471 106 T N 1.407 115.925 114.554 -0.060 0.000 2.897 106 T HA 0.396 4.747 4.350 0.001 0.000 0.278 106 T C 1.063 175.670 174.700 -0.155 0.000 0.981 106 T CA 0.192 62.241 62.100 -0.084 0.000 0.973 106 T CB 1.684 70.534 68.868 -0.030 0.000 1.092 106 T HN 0.759 nan 8.240 nan 0.000 0.543 107 V N 0.920 120.725 119.914 -0.181 0.000 2.594 107 V HA 0.008 4.129 4.120 0.001 0.000 0.253 107 V C 2.668 178.535 176.094 -0.378 0.000 1.069 107 V CA 2.346 64.476 62.300 -0.283 0.000 1.082 107 V CB -1.400 30.254 31.823 -0.282 0.000 0.680 107 V HN 1.043 nan 8.190 nan 0.000 0.469 108 A N -0.616 122.024 122.820 -0.300 0.000 1.930 108 A HA -0.184 4.137 4.320 0.001 0.000 0.217 108 A C 2.056 179.436 177.584 -0.339 0.000 1.175 108 A CA 1.706 53.500 52.037 -0.405 0.000 0.627 108 A CB -0.469 17.895 19.000 -1.060 0.000 0.815 108 A HN 0.672 nan 8.150 nan 0.000 0.443 109 E N -0.313 119.734 120.200 -0.254 0.000 2.072 109 E HA -0.109 4.241 4.350 0.001 0.000 0.191 109 E C 1.981 178.494 176.600 -0.145 0.000 0.985 109 E CA 1.259 57.566 56.400 -0.155 0.000 0.801 109 E CB -0.228 29.414 29.700 -0.097 0.000 0.750 109 E HN 0.394 nan 8.360 nan 0.000 0.452 110 V N 1.531 121.333 119.914 -0.188 0.000 2.343 110 V HA -0.252 3.868 4.120 0.001 0.000 0.247 110 V C 2.263 178.227 176.094 -0.218 0.000 1.051 110 V CA 1.480 63.670 62.300 -0.184 0.000 1.036 110 V CB -0.438 31.258 31.823 -0.212 0.000 0.654 110 V HN 0.268 nan 8.190 nan 0.000 0.451 111 L N -0.024 120.990 121.223 -0.348 0.000 2.156 111 L HA -0.039 4.301 4.340 0.001 0.000 0.208 111 L C 2.752 179.559 176.870 -0.105 0.000 1.095 111 L CA 1.183 55.755 54.840 -0.447 0.000 0.770 111 L CB -0.832 40.677 42.059 -0.917 0.000 0.914 111 L HN 0.339 nan 8.230 nan 0.000 0.439 112 A N 0.524 123.302 122.820 -0.071 0.000 1.908 112 A HA -0.205 4.115 4.320 0.001 0.000 0.218 112 A C 2.519 180.172 177.584 0.115 0.000 1.181 112 A CA 1.883 53.969 52.037 0.080 0.000 0.627 112 A CB -0.648 18.383 19.000 0.052 0.000 0.818 112 A HN 0.394 nan 8.150 nan 0.000 0.445 113 A N -0.895 121.952 122.820 0.044 0.000 2.015 113 A HA -0.064 4.256 4.320 0.001 0.000 0.219 113 A C 2.067 179.686 177.584 0.059 0.000 1.163 113 A CA 1.748 53.810 52.037 0.042 0.000 0.646 113 A CB -0.322 18.682 19.000 0.006 0.000 0.806 113 A HN 0.361 nan 8.150 nan 0.000 0.448 114 R N -0.381 120.165 120.500 0.078 0.000 2.323 114 R HA 0.151 4.491 4.340 0.001 0.000 0.198 114 R C 1.004 177.409 176.300 0.175 0.000 0.988 114 R CA 0.607 56.782 56.100 0.125 0.000 1.041 114 R CB -0.921 29.466 30.300 0.146 0.000 0.926 114 R HN 0.823 nan 8.270 nan 0.000 0.476 115 G N -0.863 108.037 108.800 0.166 0.000 2.165 115 G HA2 -0.294 3.666 3.960 0.001 0.000 0.226 115 G HA3 -0.294 3.666 3.960 0.001 0.000 0.226 115 G C -0.577 174.407 174.900 0.139 0.000 1.035 115 G CA 0.004 45.179 45.100 0.126 0.000 0.744 115 G HN 0.286 nan 8.290 nan 0.000 0.501 116 Y N -1.367 118.977 120.300 0.073 0.000 2.320 116 Y HA 0.593 5.144 4.550 0.001 0.000 0.324 116 Y C 0.616 176.640 175.900 0.207 0.000 1.190 116 Y CA -1.032 57.123 58.100 0.092 0.000 1.215 116 Y CB 1.545 40.016 38.460 0.018 0.000 1.221 116 Y HN 0.168 nan 8.280 nan 0.000 0.486 117 L N 4.637 126.077 121.223 0.362 0.000 2.352 117 L HA 0.291 4.632 4.340 0.001 0.000 0.272 117 L C 0.242 177.330 176.870 0.363 0.000 1.109 117 L CA -0.393 54.699 54.840 0.420 0.000 0.952 117 L CB -0.719 41.521 42.059 0.302 0.000 1.314 117 L HN 0.710 nan 8.230 nan 0.000 0.427 118 T N 0.895 115.512 114.554 0.104 0.000 2.898 118 T HA 0.725 5.075 4.350 0.001 0.000 0.301 118 T C 0.296 175.156 174.700 0.266 0.000 1.049 118 T CA -0.077 62.114 62.100 0.152 0.000 1.095 118 T CB 1.352 70.137 68.868 -0.138 0.000 0.976 118 T HN 0.843 nan 8.240 nan 0.000 0.539 119 G N 1.646 110.697 108.800 0.417 0.000 2.752 119 G HA2 0.512 4.473 3.960 0.001 0.000 0.298 119 G HA3 0.512 4.473 3.960 0.001 0.000 0.298 119 G C -1.461 173.609 174.900 0.284 0.000 1.434 119 G CA -0.935 44.409 45.100 0.406 0.000 1.004 119 G HN 0.968 nan 8.290 nan 0.000 0.560 120 M N 1.967 121.628 119.600 0.103 0.000 2.465 120 M HA 0.795 5.275 4.480 0.001 0.000 0.316 120 M C -0.871 175.340 176.300 -0.148 0.000 1.121 120 M CA -0.902 54.237 55.300 -0.268 0.000 0.934 120 M CB 2.184 34.198 32.600 -0.978 0.000 1.692 120 M HN 0.895 nan 8.290 nan 0.000 0.444 121 A N 3.324 125.962 122.820 -0.304 0.000 2.385 121 A HA 0.837 5.157 4.320 0.001 0.000 0.290 121 A C -0.196 176.876 177.584 -0.853 0.000 1.094 121 A CA 0.248 51.913 52.037 -0.621 0.000 0.729 121 A CB 0.734 19.539 19.000 -0.326 0.000 1.194 121 A HN 1.386 nan 8.150 nan 0.000 0.442 122 G N 1.329 109.519 108.800 -1.018 0.000 2.341 122 G HA2 0.015 3.976 3.960 0.001 0.000 0.196 122 G HA3 0.015 3.976 3.960 0.001 0.000 0.196 122 G C -0.164 174.603 174.900 -0.222 0.000 1.231 122 G CA -0.254 44.379 45.100 -0.777 0.000 1.155 122 G HN 1.025 nan 8.290 nan 0.000 0.529 123 K N 0.717 120.948 120.400 -0.283 0.000 2.416 123 K HA 0.215 4.536 4.320 0.001 0.000 0.283 123 K C 0.990 177.671 176.600 0.135 0.000 1.037 123 K CA 0.025 56.350 56.287 0.063 0.000 0.995 123 K CB 0.222 32.758 32.500 0.060 0.000 0.938 123 K HN 0.586 nan 8.250 nan 0.000 0.475 124 W N 4.687 126.001 121.300 0.023 0.000 2.783 124 W HA -0.068 4.593 4.660 0.001 0.000 0.287 124 W C 0.194 176.816 176.519 0.173 0.000 1.085 124 W CA 0.927 58.284 57.345 0.020 0.000 1.646 124 W CB -0.056 29.363 29.460 -0.069 0.000 1.135 124 W HN 0.963 nan 8.180 nan 0.000 0.548 125 H N 0.432 119.541 119.070 0.065 0.000 2.690 125 H HA -0.212 4.344 4.556 0.001 0.000 0.309 125 H C -0.058 175.107 175.328 -0.271 0.000 1.138 125 H CA 0.635 56.675 56.048 -0.014 0.000 1.142 125 H CB -1.139 28.638 29.762 0.025 0.000 1.410 125 H HN 0.160 nan 8.280 nan 0.000 0.409 126 L N 0.471 121.405 121.223 -0.481 0.000 3.289 126 L HA 0.368 4.709 4.340 0.001 0.000 0.291 126 L C 0.959 177.785 176.870 -0.073 0.000 1.279 126 L CA 0.424 54.933 54.840 -0.551 0.000 1.025 126 L CB 1.098 42.445 42.059 -1.187 0.000 1.413 126 L HN 0.548 nan 8.230 nan 0.000 0.593 127 G N -0.696 108.203 108.800 0.165 0.000 2.712 127 G HA2 -0.073 3.887 3.960 0.001 0.000 0.686 127 G HA3 -0.073 3.887 3.960 0.001 0.000 0.686 127 G C -0.331 174.892 174.900 0.537 0.000 1.181 127 G CA -0.445 44.797 45.100 0.236 0.000 0.762 127 G HN -0.218 nan 8.290 nan 0.000 0.641 128 V N 1.817 122.028 119.914 0.495 0.000 3.054 128 V HA 0.725 4.845 4.120 0.001 0.000 0.227 128 V C 2.232 178.624 176.094 0.497 0.000 1.252 128 V CA 2.128 64.697 62.300 0.447 0.000 1.279 128 V CB -0.275 31.756 31.823 0.345 0.000 1.118 128 V HN 2.941 nan 8.190 nan 0.000 0.504 129 G N 0.768 109.870 108.800 0.503 0.000 2.645 129 G HA2 -0.190 3.771 3.960 0.001 0.000 0.239 129 G HA3 -0.190 3.771 3.960 0.001 0.000 0.239 129 G C -1.819 173.174 174.900 0.155 0.000 1.331 129 G CA -0.013 45.337 45.100 0.418 0.000 0.890 129 G HN 0.308 nan 8.290 nan 0.000 0.572 130 P HA 0.010 nan 4.420 nan 0.000 0.203 130 P C 1.150 178.449 177.300 -0.002 0.000 0.968 130 P CA 1.491 64.594 63.100 0.006 0.000 0.904 130 P CB 0.031 31.704 31.700 -0.044 0.000 0.646 131 E N -0.708 119.464 120.200 -0.047 0.000 2.320 131 E HA 0.202 4.553 4.350 0.001 0.000 0.189 131 E C 0.839 177.443 176.600 0.007 0.000 1.100 131 E CA 0.436 56.824 56.400 -0.021 0.000 1.009 131 E CB -0.873 28.803 29.700 -0.039 0.000 1.145 131 E HN 0.508 nan 8.360 nan 0.000 0.454 132 G N 1.186 109.993 108.800 0.012 0.000 2.160 132 G HA2 -0.354 3.606 3.960 0.001 0.000 0.244 132 G HA3 -0.354 3.606 3.960 0.001 0.000 0.244 132 G C 1.074 176.024 174.900 0.085 0.000 1.022 132 G CA 0.344 45.486 45.100 0.069 0.000 0.741 132 G HN 0.432 nan 8.290 nan 0.000 0.508 133 A N -0.933 121.761 122.820 -0.210 0.000 2.131 133 A HA 0.346 4.666 4.320 0.001 0.000 0.220 133 A C 1.599 178.975 177.584 -0.347 0.000 1.158 133 A CA 1.907 53.641 52.037 -0.505 0.000 0.665 133 A CB -0.341 18.193 19.000 -0.775 0.000 0.795 133 A HN 0.797 nan 8.150 nan 0.000 0.460 134 F N -0.787 119.279 119.950 0.192 0.000 2.678 134 F HA 0.322 4.849 4.527 0.001 0.000 0.305 134 F C 0.605 176.514 175.800 0.181 0.000 1.090 134 F CA -0.996 57.149 58.000 0.241 0.000 1.272 134 F CB -0.027 39.130 39.000 0.261 0.000 1.060 134 F HN -0.042 nan 8.300 nan 0.000 0.576 135 L N 1.724 122.997 121.223 0.083 0.000 2.473 135 L HA 0.089 4.429 4.340 0.001 0.000 0.268 135 L C -0.861 175.517 176.870 -0.820 0.000 1.215 135 L CA -1.185 53.352 54.840 -0.505 0.000 0.823 135 L CB 0.202 42.027 42.059 -0.391 0.000 1.099 135 L HN -0.106 nan 8.230 nan 0.000 0.483 136 P HA -0.151 nan 4.420 nan 0.000 0.217 136 P C -1.287 175.771 177.300 -0.403 0.000 1.158 136 P CA 1.862 64.265 63.100 -1.162 0.000 0.887 136 P CB -0.633 30.145 31.700 -1.538 0.000 0.792 137 P HA -0.163 nan 4.420 nan 0.000 0.220 137 P C 0.872 178.035 177.300 -0.228 0.000 1.144 137 P CA 1.536 64.469 63.100 -0.278 0.000 0.800 137 P CB -0.539 30.925 31.700 -0.393 0.000 0.772 138 H N -2.307 116.729 119.070 -0.057 0.000 2.562 138 H HA 0.147 4.704 4.556 0.001 0.000 0.267 138 H C 1.574 176.922 175.328 0.034 0.000 0.959 138 H CA 0.189 56.229 56.048 -0.012 0.000 1.204 138 H CB 0.114 29.856 29.762 -0.034 0.000 1.430 138 H HN 0.022 nan 8.280 nan 0.000 0.545 139 Q N -0.112 119.768 119.800 0.133 0.000 2.319 139 Q HA 0.196 4.537 4.340 0.001 0.000 0.202 139 Q C 1.046 177.073 176.000 0.045 0.000 0.896 139 Q CA 0.668 56.575 55.803 0.172 0.000 0.942 139 Q CB 1.607 30.570 28.738 0.375 0.000 1.083 139 Q HN 0.694 nan 8.270 nan 0.000 0.510 140 G N 0.007 108.801 108.800 -0.011 0.000 2.318 140 G HA2 -0.179 3.781 3.960 0.001 0.000 0.172 140 G HA3 -0.179 3.781 3.960 0.001 0.000 0.172 140 G C -0.255 174.482 174.900 -0.271 0.000 1.002 140 G CA -0.701 44.310 45.100 -0.148 0.000 0.697 140 G HN 0.186 nan 8.290 nan 0.000 0.483 141 F N 1.916 121.850 119.950 -0.027 0.000 2.396 141 F HA 0.632 5.159 4.527 0.001 0.000 0.343 141 F C 1.669 177.496 175.800 0.045 0.000 1.104 141 F CA -0.581 57.393 58.000 -0.044 0.000 1.161 141 F CB 0.983 39.966 39.000 -0.028 0.000 1.146 141 F HN -0.032 nan 8.300 nan 0.000 0.522 142 H N 1.898 121.135 119.070 0.278 0.000 2.317 142 H HA 0.156 4.713 4.556 0.001 0.000 0.304 142 H C 0.572 176.027 175.328 0.212 0.000 1.067 142 H CA 1.066 57.229 56.048 0.191 0.000 1.352 142 H CB 0.071 29.933 29.762 0.167 0.000 1.398 142 H HN 0.405 nan 8.280 nan 0.000 0.510 143 R N -0.441 120.314 120.500 0.424 0.000 2.787 143 R HA 0.465 4.805 4.340 0.001 0.000 0.271 143 R C -1.255 175.340 176.300 0.491 0.000 0.993 143 R CA -0.752 55.613 56.100 0.442 0.000 0.993 143 R CB 2.209 32.796 30.300 0.478 0.000 1.155 143 R HN 0.047 nan 8.270 nan 0.000 0.486 144 F N 1.468 121.455 119.950 0.062 0.000 2.665 144 F HA 0.548 5.075 4.527 0.001 0.000 0.308 144 F C -2.237 173.198 175.800 -0.609 0.000 1.112 144 F CA -1.193 56.606 58.000 -0.335 0.000 0.972 144 F CB 1.621 40.439 39.000 -0.303 0.000 1.295 144 F HN 0.328 nan 8.300 nan 0.000 0.440 145 L N 4.507 124.717 121.223 -1.688 0.000 2.737 145 L HA 0.827 5.168 4.340 0.001 0.000 0.261 145 L C -0.890 175.237 176.870 -1.238 0.000 0.949 145 L CA 0.566 54.547 54.840 -1.432 0.000 0.952 145 L CB 1.511 42.869 42.059 -1.168 0.000 1.337 145 L HN 1.216 nan 8.230 nan 0.000 0.430 146 G N 3.862 112.025 108.800 -1.060 0.000 2.321 146 G HA2 0.303 4.264 3.960 0.001 0.000 0.298 146 G HA3 0.303 4.264 3.960 0.001 0.000 0.298 146 G C -1.581 173.248 174.900 -0.118 0.000 1.385 146 G CA -0.811 44.078 45.100 -0.352 0.000 0.856 146 G HN 0.549 nan 8.290 nan 0.000 0.584 147 I N 2.063 122.697 120.570 0.106 0.000 2.441 147 I HA 0.241 4.411 4.170 0.001 0.000 0.287 147 I C -0.886 175.240 176.117 0.014 0.000 1.049 147 I CA -1.880 59.401 61.300 -0.031 0.000 1.381 147 I CB 1.935 39.859 38.000 -0.126 0.000 1.409 147 I HN 0.345 nan 8.210 nan 0.000 0.523 148 P HA -0.129 nan 4.420 nan 0.000 0.231 148 P C -0.762 176.532 177.300 -0.010 0.000 1.158 148 P CA 1.530 64.572 63.100 -0.098 0.000 0.763 148 P CB -0.065 31.482 31.700 -0.256 0.000 0.805 149 Y N -4.962 115.392 120.300 0.091 0.000 2.871 149 Y HA 0.477 5.028 4.550 0.001 0.000 0.331 149 Y C -0.080 175.695 175.900 -0.208 0.000 1.378 149 Y CA -1.905 56.111 58.100 -0.141 0.000 1.079 149 Y CB -0.482 37.831 38.460 -0.247 0.000 1.441 149 Y HN -0.453 nan 8.280 nan 0.000 0.446 150 S N 2.061 117.631 115.700 -0.217 0.000 2.593 150 S HA -0.063 4.408 4.470 0.001 0.000 0.300 150 S C 1.109 175.633 174.600 -0.127 0.000 1.267 150 S CA 0.281 58.326 58.200 -0.259 0.000 1.065 150 S CB -0.301 62.656 63.200 -0.404 0.000 0.807 150 S HN 0.926 nan 8.310 nan 0.000 0.499 151 H N 2.486 121.423 119.070 -0.223 0.000 2.567 151 H HA -0.055 4.501 4.556 0.001 0.000 0.276 151 H C 0.920 176.145 175.328 -0.172 0.000 1.016 151 H CA 1.236 57.136 56.048 -0.247 0.000 1.186 151 H CB -0.132 29.370 29.762 -0.433 0.000 1.351 151 H HN 0.742 nan 8.280 nan 0.000 0.605 152 D N 0.826 121.016 120.400 -0.350 0.000 2.349 152 D HA -0.092 4.548 4.640 0.001 0.000 0.214 152 D C 0.457 176.729 176.300 -0.047 0.000 1.063 152 D CA -0.193 53.692 54.000 -0.192 0.000 0.847 152 D CB -0.185 40.567 40.800 -0.080 0.000 0.933 152 D HN 0.404 nan 8.370 nan 0.000 0.513 153 Q N 0.921 120.689 119.800 -0.053 0.000 2.945 153 Q HA 0.436 4.776 4.340 0.001 0.000 0.323 153 Q C -0.043 175.931 176.000 -0.042 0.000 1.188 153 Q CA -0.258 55.500 55.803 -0.075 0.000 0.929 153 Q CB 0.503 29.107 28.738 -0.224 0.000 1.531 153 Q HN 0.314 nan 8.270 nan 0.000 0.444 154 G N 1.765 110.557 108.800 -0.014 0.000 2.633 154 G HA2 0.202 4.162 3.960 0.001 0.000 0.299 154 G HA3 0.202 4.162 3.960 0.001 0.000 0.299 154 G C -3.182 171.711 174.900 -0.011 0.000 1.501 154 G CA -1.016 44.080 45.100 -0.006 0.000 0.887 154 G HN -0.125 nan 8.290 nan 0.000 0.561 155 P HA 0.124 nan 4.420 nan 0.000 0.260 155 P C 1.047 178.343 177.300 -0.007 0.000 1.172 155 P CA 0.162 63.266 63.100 0.005 0.000 0.760 155 P CB 0.625 32.333 31.700 0.012 0.000 0.773 156 c N 1.441 120.042 118.600 0.001 0.000 3.115 156 c HA 0.305 4.876 4.570 0.001 0.000 0.277 156 c C 1.849 175.948 174.090 0.014 0.000 1.460 156 c CA -0.278 56.043 56.329 -0.014 0.000 1.789 156 c CB -1.102 41.377 42.510 -0.051 0.000 2.674 156 c HN 0.336 nan 8.230 nan 0.000 0.582 157 Q N 2.194 122.013 119.800 0.032 0.000 2.061 157 Q HA -0.093 4.248 4.340 0.001 0.000 0.204 157 Q C 1.899 177.925 176.000 0.043 0.000 0.984 157 Q CA 2.116 57.945 55.803 0.043 0.000 0.846 157 Q CB -0.193 28.572 28.738 0.044 0.000 0.902 157 Q HN 0.675 nan 8.270 nan 0.000 0.421 158 N N -0.346 118.379 118.700 0.041 0.000 2.416 158 N HA 0.035 4.775 4.740 0.001 0.000 0.177 158 N C 0.004 175.541 175.510 0.046 0.000 1.036 158 N CA 0.204 53.282 53.050 0.047 0.000 0.901 158 N CB 0.173 38.694 38.487 0.056 0.000 0.976 158 N HN 0.225 nan 8.380 nan 0.000 0.444 159 L N 1.153 122.390 121.223 0.025 0.000 2.485 159 L HA 0.003 4.344 4.340 0.001 0.000 0.275 159 L C 0.961 177.838 176.870 0.012 0.000 1.207 159 L CA 0.358 55.200 54.840 0.003 0.000 0.855 159 L CB 0.426 42.452 42.059 -0.055 0.000 1.114 159 L HN -0.031 nan 8.230 nan 0.000 0.485 160 T N 1.703 116.269 114.554 0.020 0.000 2.749 160 T HA 0.193 4.543 4.350 0.001 0.000 0.287 160 T C 0.698 175.330 174.700 -0.114 0.000 0.970 160 T CA -0.745 61.371 62.100 0.028 0.000 0.980 160 T CB 0.879 69.834 68.868 0.144 0.000 0.924 160 T HN 0.723 nan 8.240 nan 0.000 0.456 161 c N 4.441 122.981 118.600 -0.101 0.000 2.518 161 c HA 0.446 5.016 4.570 0.001 0.000 0.283 161 c C 0.006 173.767 174.090 -0.548 0.000 1.351 161 c CA -0.296 55.849 56.329 -0.307 0.000 1.745 161 c CB -0.813 41.559 42.510 -0.230 0.000 2.107 161 c HN 0.827 nan 8.230 nan 0.000 0.502 162 F N 1.461 121.421 119.950 0.017 0.000 2.539 162 F HA 0.439 4.967 4.527 0.001 0.000 0.318 162 F C -2.244 173.575 175.800 0.032 0.000 1.135 162 F CA -2.578 55.434 58.000 0.019 0.000 0.915 162 F CB 0.971 39.998 39.000 0.045 0.000 1.176 162 F HN -0.125 nan 8.300 nan 0.000 0.440 163 P HA 0.120 nan 4.420 nan 0.000 0.272 163 P C -2.110 175.297 177.300 0.179 0.000 1.230 163 P CA -1.032 62.188 63.100 0.199 0.000 0.788 163 P CB 0.963 32.782 31.700 0.199 0.000 0.949 164 P HA -0.021 nan 4.420 nan 0.000 0.217 164 P C 0.569 177.978 177.300 0.182 0.000 1.154 164 P CA 1.336 64.537 63.100 0.167 0.000 0.841 164 P CB 0.167 31.935 31.700 0.112 0.000 0.788 165 A N -0.950 121.959 122.820 0.149 0.000 2.709 165 A HA 0.310 4.630 4.320 0.001 0.000 0.241 165 A C 0.087 177.750 177.584 0.132 0.000 0.879 165 A CA -0.240 51.880 52.037 0.140 0.000 1.120 165 A CB -0.600 18.462 19.000 0.103 0.000 1.226 165 A HN -0.006 nan 8.150 nan 0.000 0.468 166 T N 3.587 118.238 114.554 0.162 0.000 2.738 166 T HA 0.386 4.736 4.350 0.001 0.000 0.293 166 T C -2.558 172.251 174.700 0.183 0.000 0.913 166 T CA -0.540 61.665 62.100 0.176 0.000 1.103 166 T CB 0.645 69.650 68.868 0.229 0.000 0.880 166 T HN 0.237 nan 8.240 nan 0.000 0.526 167 P HA 0.170 nan 4.420 nan 0.000 0.271 167 P C -0.440 176.941 177.300 0.136 0.000 1.233 167 P CA -0.635 62.533 63.100 0.115 0.000 0.789 167 P CB 0.415 32.172 31.700 0.094 0.000 0.951 168 c N 2.407 121.060 118.600 0.088 0.000 2.415 168 c HA 0.175 4.745 4.570 0.001 0.000 0.369 168 c C 0.719 174.883 174.090 0.123 0.000 1.279 168 c CA -0.454 55.926 56.329 0.085 0.000 1.886 168 c CB -1.052 41.450 42.510 -0.012 0.000 2.468 168 c HN 0.637 nan 8.230 nan 0.000 0.553 169 D N 1.638 122.152 120.400 0.191 0.000 2.382 169 D HA 0.335 4.975 4.640 0.001 0.000 0.240 169 D C 1.069 177.549 176.300 0.300 0.000 1.146 169 D CA 0.613 54.746 54.000 0.222 0.000 0.897 169 D CB 0.751 41.694 40.800 0.238 0.000 1.197 169 D HN 0.902 nan 8.370 nan 0.000 0.432 170 G N 0.890 109.825 108.800 0.226 0.000 2.417 170 G HA2 -0.282 3.679 3.960 0.001 0.000 0.233 170 G HA3 -0.282 3.679 3.960 0.001 0.000 0.233 170 G C 1.194 176.208 174.900 0.189 0.000 1.103 170 G CA 0.864 46.102 45.100 0.231 0.000 0.647 170 G HN 1.769 nan 8.290 nan 0.000 0.512 171 G N -1.250 107.654 108.800 0.173 0.000 2.225 171 G HA2 -0.061 3.900 3.960 0.001 0.000 0.254 171 G HA3 -0.061 3.900 3.960 0.001 0.000 0.254 171 G C 1.750 176.713 174.900 0.106 0.000 0.988 171 G CA 1.243 46.408 45.100 0.108 0.000 0.625 171 G HN 2.323 nan 8.290 nan 0.000 0.527 172 c N -0.909 117.805 118.600 0.190 0.000 0.168 172 c HA -0.114 4.456 4.570 0.001 0.000 0.017 172 c C 0.517 174.674 174.090 0.111 0.000 0.171 172 c CA 0.297 56.734 56.329 0.180 0.000 0.499 172 c CB -1.180 41.358 42.510 0.047 0.000 3.212 172 c HN 0.818 nan 8.230 nan 0.000 1.118 173 D N 1.825 122.271 120.400 0.076 0.000 2.401 173 D HA 0.340 4.981 4.640 0.001 0.000 0.254 173 D C 0.347 176.660 176.300 0.022 0.000 1.192 173 D CA 0.453 54.477 54.000 0.040 0.000 0.885 173 D CB 0.446 41.253 40.800 0.012 0.000 1.147 173 D HN 0.286 nan 8.370 nan 0.000 0.478 174 Q N 0.145 119.959 119.800 0.023 0.000 2.199 174 Q HA 0.477 4.818 4.340 0.001 0.000 0.232 174 Q C 1.230 177.236 176.000 0.009 0.000 0.969 174 Q CA -0.658 55.156 55.803 0.018 0.000 0.925 174 Q CB 0.964 29.715 28.738 0.023 0.000 1.198 174 Q HN 0.701 nan 8.270 nan 0.000 0.494 175 G N 0.144 108.951 108.800 0.011 0.000 2.179 175 G HA2 -0.244 3.717 3.960 0.001 0.000 0.257 175 G HA3 -0.244 3.717 3.960 0.001 0.000 0.257 175 G C -0.242 174.658 174.900 0.002 0.000 1.010 175 G CA 0.499 45.604 45.100 0.008 0.000 0.736 175 G HN 0.303 nan 8.290 nan 0.000 0.513 176 L N -1.051 120.171 121.223 -0.002 0.000 2.333 176 L HA 0.716 5.056 4.340 0.001 0.000 0.263 176 L C 0.690 177.557 176.870 -0.004 0.000 1.014 176 L CA -1.433 53.401 54.840 -0.010 0.000 0.820 176 L CB 2.057 44.097 42.059 -0.033 0.000 1.352 176 L HN -0.012 nan 8.230 nan 0.000 0.421 177 V N 3.094 123.010 119.914 0.002 0.000 2.585 177 V HA 0.175 4.295 4.120 0.001 0.000 0.296 177 V C -1.977 174.110 176.094 -0.011 0.000 1.035 177 V CA -1.199 61.099 62.300 -0.003 0.000 1.084 177 V CB 1.032 32.864 31.823 0.015 0.000 0.953 177 V HN 0.532 nan 8.190 nan 0.000 0.483 178 P HA 0.043 nan 4.420 nan 0.000 0.264 178 P C -0.170 177.088 177.300 -0.069 0.000 1.179 178 P CA 0.240 63.277 63.100 -0.105 0.000 0.763 178 P CB 0.111 31.663 31.700 -0.247 0.000 0.806 179 I N 2.419 122.960 120.570 -0.049 0.000 2.742 179 I HA 0.163 4.333 4.170 0.001 0.000 0.287 179 I C -2.184 173.851 176.117 -0.136 0.000 1.186 179 I CA -1.621 59.649 61.300 -0.049 0.000 1.417 179 I CB -0.191 37.764 38.000 -0.075 0.000 1.377 179 I HN 0.159 nan 8.210 nan 0.000 0.556 180 P HA 0.243 nan 4.420 nan 0.000 0.287 180 P C -1.081 176.109 177.300 -0.183 0.000 1.270 180 P CA -0.698 62.308 63.100 -0.155 0.000 0.844 180 P CB 2.261 33.889 31.700 -0.119 0.000 1.068 181 L N 3.530 124.652 121.223 -0.168 0.000 2.283 181 L HA 0.336 4.676 4.340 0.001 0.000 0.281 181 L C -0.670 176.081 176.870 -0.198 0.000 1.033 181 L CA -0.430 54.300 54.840 -0.184 0.000 0.848 181 L CB -0.433 41.523 42.059 -0.173 0.000 1.226 181 L HN 0.221 nan 8.230 nan 0.000 0.429 182 L N 5.292 126.376 121.223 -0.233 0.000 2.281 182 L HA 0.520 4.860 4.340 0.001 0.000 0.285 182 L C 0.493 177.096 176.870 -0.445 0.000 1.074 182 L CA -0.406 54.302 54.840 -0.219 0.000 0.817 182 L CB 1.147 43.199 42.059 -0.012 0.000 1.168 182 L HN 0.764 nan 8.230 nan 0.000 0.434 183 A N 4.395 127.048 122.820 -0.279 0.000 2.366 183 A HA 0.371 4.692 4.320 0.001 0.000 0.322 183 A C 0.616 178.125 177.584 -0.126 0.000 1.397 183 A CA -0.349 51.516 52.037 -0.287 0.000 0.984 183 A CB 0.099 18.999 19.000 -0.166 0.000 1.149 183 A HN 1.009 nan 8.150 nan 0.000 0.540 184 N N 0.308 118.981 118.700 -0.044 0.000 2.453 184 N HA -0.234 4.506 4.740 0.001 0.000 0.177 184 N C 0.590 176.168 175.510 0.114 0.000 0.529 184 N CA 2.233 55.364 53.050 0.134 0.000 1.553 184 N CB -0.910 37.607 38.487 0.049 0.000 1.408 184 N HN 0.567 nan 8.380 nan 0.000 0.400 185 L N 0.537 121.772 121.223 0.021 0.000 2.858 185 L HA 0.277 4.617 4.340 0.001 0.000 0.251 185 L C -0.147 176.728 176.870 0.008 0.000 1.149 185 L CA 0.152 54.996 54.840 0.005 0.000 0.955 185 L CB 0.665 42.718 42.059 -0.009 0.000 1.289 185 L HN 0.094 nan 8.230 nan 0.000 0.542 186 S N -0.147 115.549 115.700 -0.005 0.000 2.503 186 S HA 0.434 4.905 4.470 0.001 0.000 0.301 186 S C -0.072 174.506 174.600 -0.038 0.000 1.087 186 S CA -0.492 57.701 58.200 -0.013 0.000 1.042 186 S CB 2.693 65.888 63.200 -0.009 0.000 1.043 186 S HN -0.178 nan 8.310 nan 0.000 0.489 187 V N 2.970 122.863 119.914 -0.034 0.000 2.529 187 V HA 0.064 4.185 4.120 0.001 0.000 0.292 187 V C 1.415 177.472 176.094 -0.060 0.000 1.028 187 V CA 0.460 62.726 62.300 -0.057 0.000 1.074 187 V CB 0.708 32.502 31.823 -0.048 0.000 0.958 187 V HN 1.049 nan 8.190 nan 0.000 0.481 188 E N 3.086 123.233 120.200 -0.087 0.000 2.364 188 E HA 0.417 4.768 4.350 0.001 0.000 0.196 188 E C 0.485 177.041 176.600 -0.072 0.000 0.990 188 E CA 0.717 57.070 56.400 -0.078 0.000 0.886 188 E CB 0.683 30.323 29.700 -0.101 0.000 0.866 188 E HN 0.880 nan 8.360 nan 0.000 0.493 189 A N 0.641 123.408 122.820 -0.089 0.000 2.608 189 A HA 0.497 4.818 4.320 0.001 0.000 0.292 189 A C -1.558 175.957 177.584 -0.114 0.000 1.066 189 A CA -0.568 51.416 52.037 -0.088 0.000 0.676 189 A CB 1.688 20.636 19.000 -0.087 0.000 1.277 189 A HN 0.070 nan 8.150 nan 0.000 0.413 190 Q N 0.807 120.532 119.800 -0.125 0.000 2.686 190 Q HA 0.375 4.715 4.340 0.001 0.000 0.222 190 Q C -3.134 172.717 176.000 -0.249 0.000 0.777 190 Q CA -1.053 54.644 55.803 -0.177 0.000 1.018 190 Q CB 2.317 30.950 28.738 -0.176 0.000 1.563 190 Q HN 0.476 nan 8.270 nan 0.000 0.479 191 P HA 0.357 nan 4.420 nan 0.000 0.286 191 P C -2.644 174.580 177.300 -0.127 0.000 1.261 191 P CA -1.367 61.626 63.100 -0.178 0.000 0.821 191 P CB 0.776 32.376 31.700 -0.168 0.000 1.013 192 P HA 0.012 nan 4.420 nan 0.000 0.275 192 P C -0.812 176.433 177.300 -0.091 0.000 1.228 192 P CA -0.328 62.695 63.100 -0.128 0.000 0.786 192 P CB 0.560 32.139 31.700 -0.203 0.000 0.927 193 W N 4.307 125.472 121.300 -0.225 0.000 2.605 193 W HA 0.085 4.745 4.660 0.001 0.000 0.327 193 W C 0.949 177.286 176.519 -0.304 0.000 1.332 193 W CA -0.028 57.187 57.345 -0.217 0.000 1.403 193 W CB -0.588 28.783 29.460 -0.149 0.000 1.452 193 W HN 0.331 nan 8.180 nan 0.000 0.503 194 L N 7.659 128.515 121.223 -0.612 0.000 2.042 194 L HA -0.155 4.186 4.340 0.001 0.000 0.210 194 L C -0.308 176.059 176.870 -0.838 0.000 1.076 194 L CA 1.101 55.392 54.840 -0.915 0.000 0.749 194 L CB -1.706 39.710 42.059 -1.073 0.000 0.893 194 L HN 0.259 nan 8.230 nan 0.000 0.432 195 P HA -0.069 nan 4.420 nan 0.000 0.236 195 P C 0.775 177.551 177.300 -0.874 0.000 1.172 195 P CA 1.185 63.699 63.100 -0.976 0.000 0.759 195 P CB -0.028 30.880 31.700 -1.320 0.000 0.843 196 G N -1.924 106.438 108.800 -0.729 0.000 4.213 196 G HA2 0.012 3.972 3.960 0.001 0.000 0.274 196 G HA3 0.012 3.972 3.960 0.001 0.000 0.274 196 G C 0.743 175.531 174.900 -0.187 0.000 1.033 196 G CA -0.061 44.898 45.100 -0.234 0.000 0.822 196 G HN 0.121 nan 8.290 nan 0.000 0.432 197 L N 0.971 121.990 121.223 -0.340 0.000 2.093 197 L HA 0.203 4.543 4.340 0.001 0.000 0.208 197 L C 2.433 178.949 176.870 -0.590 0.000 1.085 197 L CA 2.285 56.837 54.840 -0.481 0.000 0.755 197 L CB -0.141 41.545 42.059 -0.621 0.000 0.904 197 L HN 0.224 nan 8.230 nan 0.000 0.435 198 E N -0.004 120.012 120.200 -0.307 0.000 2.085 198 E HA -0.209 4.141 4.350 0.001 0.000 0.194 198 E C 2.152 178.709 176.600 -0.072 0.000 0.994 198 E CA 1.602 57.917 56.400 -0.141 0.000 0.801 198 E CB -0.400 29.346 29.700 0.075 0.000 0.743 198 E HN 0.540 nan 8.360 nan 0.000 0.453 199 A N 0.771 123.561 122.820 -0.050 0.000 1.892 199 A HA -0.263 4.058 4.320 0.001 0.000 0.218 199 A C 2.232 179.813 177.584 -0.005 0.000 1.188 199 A CA 1.996 54.033 52.037 -0.000 0.000 0.631 199 A CB -0.607 18.402 19.000 0.016 0.000 0.822 199 A HN 0.248 nan 8.150 nan 0.000 0.447 200 R N -1.933 118.525 120.500 -0.071 0.000 2.120 200 R HA -0.131 4.210 4.340 0.001 0.000 0.234 200 R C 1.991 178.382 176.300 0.153 0.000 1.123 200 R CA 1.550 57.643 56.100 -0.012 0.000 0.975 200 R CB -0.395 29.850 30.300 -0.091 0.000 0.866 200 R HN 0.653 nan 8.270 nan 0.000 0.446 201 Y N -0.003 120.298 120.300 0.002 0.000 2.220 201 Y HA -0.076 4.475 4.550 0.001 0.000 0.291 201 Y C 2.313 178.218 175.900 0.007 0.000 1.129 201 Y CA 0.635 58.743 58.100 0.013 0.000 1.161 201 Y CB -0.408 38.078 38.460 0.043 0.000 0.997 201 Y HN -0.043 nan 8.280 nan 0.000 0.522 202 M N -0.504 119.169 119.600 0.123 0.000 2.159 202 M HA -0.117 4.363 4.480 0.001 0.000 0.263 202 M C 2.404 178.740 176.300 0.060 0.000 1.063 202 M CA 1.444 56.755 55.300 0.019 0.000 1.110 202 M CB -1.543 31.066 32.600 0.015 0.000 1.374 202 M HN 0.240 nan 8.290 nan 0.000 0.411 203 A N -0.035 122.836 122.820 0.084 0.000 1.858 203 A HA -0.209 4.111 4.320 0.001 0.000 0.216 203 A C 2.115 179.759 177.584 0.099 0.000 1.190 203 A CA 1.525 53.599 52.037 0.062 0.000 0.617 203 A CB -1.249 17.781 19.000 0.049 0.000 0.827 203 A HN 0.446 nan 8.150 nan 0.000 0.443 204 F N 1.153 121.103 119.950 -0.000 0.000 2.154 204 F HA -0.147 4.381 4.527 0.001 0.000 0.301 204 F C 2.368 178.145 175.800 -0.037 0.000 1.087 204 F CA 1.230 59.221 58.000 -0.015 0.000 1.274 204 F CB -0.334 38.656 39.000 -0.017 0.000 1.009 204 F HN 0.255 nan 8.300 nan 0.000 0.485 205 A N -0.119 122.665 122.820 -0.060 0.000 1.855 205 A HA -0.229 4.091 4.320 0.001 0.000 0.215 205 A C 2.354 179.791 177.584 -0.245 0.000 1.191 205 A CA 1.629 53.539 52.037 -0.211 0.000 0.613 205 A CB -1.548 17.372 19.000 -0.133 0.000 0.829 205 A HN 0.625 nan 8.150 nan 0.000 0.442 206 H N 0.552 119.496 119.070 -0.209 0.000 2.319 206 H HA -0.168 4.389 4.556 0.001 0.000 0.297 206 H C 1.413 176.608 175.328 -0.221 0.000 1.097 206 H CA 2.153 58.085 56.048 -0.193 0.000 1.285 206 H CB -0.266 29.429 29.762 -0.111 0.000 1.368 206 H HN 0.401 nan 8.280 nan 0.000 0.495 207 D N 0.520 120.936 120.400 0.027 0.000 2.117 207 D HA -0.136 4.504 4.640 0.001 0.000 0.197 207 D C 2.506 178.690 176.300 -0.194 0.000 0.987 207 D CA 0.774 54.749 54.000 -0.042 0.000 0.829 207 D CB -0.581 40.178 40.800 -0.069 0.000 0.961 207 D HN 0.302 nan 8.370 nan 0.000 0.460 208 L N 0.336 121.341 121.223 -0.364 0.000 2.042 208 L HA -0.143 4.197 4.340 0.001 0.000 0.210 208 L C 2.200 178.839 176.870 -0.385 0.000 1.076 208 L CA 1.620 56.224 54.840 -0.392 0.000 0.749 208 L CB -0.409 41.321 42.059 -0.548 0.000 0.893 208 L HN -0.005 nan 8.230 nan 0.000 0.432 209 M N -1.339 117.901 119.600 -0.601 0.000 2.156 209 M HA -0.116 4.364 4.480 0.001 0.000 0.264 209 M C 2.324 178.383 176.300 -0.401 0.000 1.067 209 M CA 1.555 56.322 55.300 -0.888 0.000 1.131 209 M CB -0.635 31.298 32.600 -1.113 0.000 1.368 209 M HN 0.419 nan 8.290 nan 0.000 0.416 210 A N 0.833 123.472 122.820 -0.303 0.000 1.883 210 A HA -0.201 4.119 4.320 0.001 0.000 0.217 210 A C 1.678 179.218 177.584 -0.073 0.000 1.186 210 A CA 2.238 54.185 52.037 -0.150 0.000 0.624 210 A CB -0.842 18.124 19.000 -0.057 0.000 0.822 210 A HN 0.385 nan 8.150 nan 0.000 0.444 211 D N 0.067 120.423 120.400 -0.073 0.000 2.117 211 D HA -0.050 4.590 4.640 0.001 0.000 0.197 211 D C 2.196 178.494 176.300 -0.004 0.000 0.987 211 D CA 1.635 55.616 54.000 -0.032 0.000 0.829 211 D CB -0.482 40.297 40.800 -0.035 0.000 0.961 211 D HN 0.432 nan 8.370 nan 0.000 0.460 212 A N 0.535 123.358 122.820 0.005 0.000 1.933 212 A HA -0.253 4.068 4.320 0.001 0.000 0.218 212 A C 2.118 179.750 177.584 0.081 0.000 1.175 212 A CA 1.816 53.904 52.037 0.084 0.000 0.628 212 A CB -0.671 18.459 19.000 0.218 0.000 0.814 212 A HN 0.276 nan 8.150 nan 0.000 0.444 213 Q N 0.085 119.921 119.800 0.061 0.000 2.046 213 Q HA -0.196 4.145 4.340 0.001 0.000 0.200 213 Q C 2.019 178.037 176.000 0.030 0.000 0.975 213 Q CA 1.665 57.502 55.803 0.056 0.000 0.836 213 Q CB -0.154 28.605 28.738 0.035 0.000 0.896 213 Q HN 0.797 nan 8.270 nan 0.000 0.428 214 R N -0.608 119.902 120.500 0.017 0.000 2.319 214 R HA 0.007 4.347 4.340 0.001 0.000 0.204 214 R C 1.002 177.310 176.300 0.013 0.000 0.954 214 R CA 0.569 56.677 56.100 0.013 0.000 1.066 214 R CB 0.180 30.485 30.300 0.009 0.000 0.991 214 R HN 0.299 nan 8.270 nan 0.000 0.486 215 Q N 0.628 120.438 119.800 0.017 0.000 2.189 215 Q HA 0.029 4.369 4.340 0.001 0.000 0.223 215 Q C -0.769 175.238 176.000 0.012 0.000 0.828 215 Q CA -0.034 55.778 55.803 0.015 0.000 0.967 215 Q CB 0.723 29.472 28.738 0.019 0.000 1.139 215 Q HN 0.283 nan 8.270 nan 0.000 0.497 216 D N 1.309 121.717 120.400 0.014 0.000 2.699 216 D HA -0.192 4.449 4.640 0.001 0.000 0.239 216 D C -0.770 175.524 176.300 -0.010 0.000 1.136 216 D CA 0.802 54.805 54.000 0.006 0.000 0.668 216 D CB -0.333 40.469 40.800 0.003 0.000 1.060 216 D HN 0.137 nan 8.370 nan 0.000 0.429 217 R N 0.417 120.914 120.500 -0.006 0.000 2.621 217 R HA 0.527 4.868 4.340 0.001 0.000 0.284 217 R C -2.693 173.568 176.300 -0.065 0.000 0.998 217 R CA -1.963 54.114 56.100 -0.038 0.000 0.895 217 R CB 1.875 32.180 30.300 0.008 0.000 1.195 217 R HN -0.047 nan 8.270 nan 0.000 0.450 218 P HA 0.130 nan 4.420 nan 0.000 0.281 218 P C -1.001 176.143 177.300 -0.259 0.000 1.252 218 P CA -0.142 62.695 63.100 -0.438 0.000 0.778 218 P CB 0.417 31.551 31.700 -0.943 0.000 0.895 219 F N 2.064 122.001 119.950 -0.023 0.000 2.403 219 F HA 0.698 5.226 4.527 0.001 0.000 0.326 219 F C -0.854 175.185 175.800 0.398 0.000 1.081 219 F CA -1.471 56.626 58.000 0.162 0.000 1.041 219 F CB 0.730 39.777 39.000 0.077 0.000 1.234 219 F HN 0.127 nan 8.300 nan 0.000 0.503 220 F N 4.996 125.214 119.950 0.446 0.000 2.532 220 F HA 0.503 5.031 4.527 0.001 0.000 0.365 220 F C -1.799 174.231 175.800 0.384 0.000 1.112 220 F CA -1.913 56.278 58.000 0.319 0.000 1.082 220 F CB 1.100 40.199 39.000 0.166 0.000 1.319 220 F HN 0.574 nan 8.300 nan 0.000 0.457 221 L N 7.791 129.133 121.223 0.198 0.000 2.259 221 L HA 0.341 4.682 4.340 0.001 0.000 0.288 221 L C -1.642 175.197 176.870 -0.052 0.000 1.051 221 L CA -0.459 54.425 54.840 0.073 0.000 0.824 221 L CB 0.261 42.434 42.059 0.191 0.000 1.206 221 L HN 0.530 nan 8.230 nan 0.000 0.429 222 Y N 6.109 126.228 120.300 -0.303 0.000 2.676 222 Y HA 0.248 4.799 4.550 0.001 0.000 0.338 222 Y C -1.318 174.571 175.900 -0.020 0.000 1.057 222 Y CA -1.280 56.685 58.100 -0.225 0.000 1.314 222 Y CB 0.037 38.349 38.460 -0.246 0.000 1.164 222 Y HN 0.599 nan 8.280 nan 0.000 0.509 223 Y N 5.650 125.913 120.300 -0.062 0.000 2.691 223 Y HA 0.588 5.138 4.550 0.001 0.000 0.338 223 Y C -0.445 175.304 175.900 -0.252 0.000 1.148 223 Y CA -1.759 56.232 58.100 -0.182 0.000 1.430 223 Y CB -0.098 38.350 38.460 -0.019 0.000 1.303 223 Y HN 0.680 nan 8.280 nan 0.000 0.499 224 A N 4.616 127.043 122.820 -0.654 0.000 2.650 224 A HA 0.393 4.714 4.320 0.001 0.000 0.320 224 A C 0.419 177.593 177.584 -0.684 0.000 1.466 224 A CA -0.243 51.440 52.037 -0.589 0.000 1.099 224 A CB -0.365 18.255 19.000 -0.633 0.000 1.136 224 A HN 0.614 nan 8.150 nan 0.000 0.532 225 S N 0.675 115.899 115.700 -0.793 0.000 2.585 225 S HA 0.173 4.643 4.470 0.001 0.000 0.273 225 S C 0.974 175.304 174.600 -0.450 0.000 1.339 225 S CA -0.451 57.321 58.200 -0.713 0.000 1.028 225 S CB 0.142 62.950 63.200 -0.652 0.000 0.906 225 S HN 0.703 nan 8.310 nan 0.000 0.528 226 H N 1.822 120.821 119.070 -0.119 0.000 2.551 226 H HA 0.097 4.654 4.556 0.001 0.000 0.266 226 H C 0.085 175.395 175.328 -0.029 0.000 0.977 226 H CA 0.219 56.275 56.048 0.014 0.000 1.163 226 H CB -0.290 29.461 29.762 -0.019 0.000 1.381 226 H HN 0.555 nan 8.280 nan 0.000 0.581 227 H N 1.842 120.846 119.070 -0.109 0.000 3.046 227 H HA -0.025 4.531 4.556 0.001 0.000 0.303 227 H C 1.082 176.297 175.328 -0.189 0.000 1.002 227 H CA 1.184 57.081 56.048 -0.252 0.000 1.460 227 H CB 0.355 29.921 29.762 -0.327 0.000 1.493 227 H HN 0.458 nan 8.280 nan 0.000 0.559 228 T N 0.463 114.994 114.554 -0.038 0.000 5.155 228 T HA -0.220 4.130 4.350 0.001 0.000 0.277 228 T C -0.041 174.737 174.700 0.129 0.000 1.935 228 T CA 0.881 62.886 62.100 -0.159 0.000 3.323 228 T CB -2.342 66.231 68.868 -0.493 0.000 1.185 228 T HN 0.848 nan 8.240 nan 0.000 1.032 229 H N 0.337 119.505 119.070 0.162 0.000 2.533 229 H HA 0.593 5.150 4.556 0.001 0.000 0.343 229 H C -0.263 175.225 175.328 0.267 0.000 1.160 229 H CA -0.676 55.504 56.048 0.220 0.000 1.218 229 H CB 1.446 31.338 29.762 0.216 0.000 1.566 229 H HN 0.478 nan 8.280 nan 0.000 0.522 230 Y N 5.488 125.923 120.300 0.225 0.000 2.346 230 Y HA 0.301 4.852 4.550 0.002 0.000 0.330 230 Y C -2.427 173.575 175.900 0.170 0.000 1.178 230 Y CA -1.998 56.247 58.100 0.241 0.000 1.331 230 Y CB 0.832 39.352 38.460 0.101 0.000 1.253 230 Y HN 0.408 nan 8.280 nan 0.000 0.529 231 P HA 0.039 nan 4.420 nan 0.000 0.282 231 P C -1.352 176.081 177.300 0.222 0.000 1.249 231 P CA -0.350 62.476 63.100 -0.457 0.000 0.806 231 P CB 1.129 32.496 31.700 -0.554 0.000 0.984 232 Q N 2.441 122.392 119.800 0.253 0.000 2.297 232 Q HA 0.263 4.603 4.340 0.001 0.000 0.267 232 Q C -0.028 175.953 176.000 -0.031 0.000 1.006 232 Q CA 0.507 56.422 55.803 0.186 0.000 0.896 232 Q CB -0.261 28.658 28.738 0.302 0.000 1.186 232 Q HN 0.484 nan 8.270 nan 0.000 0.392 233 F N -1.154 118.597 119.950 -0.332 0.000 2.620 233 F HA 0.840 5.367 4.527 0.001 0.000 0.320 233 F C -0.360 175.106 175.800 -0.558 0.000 1.069 233 F CA -1.125 56.366 58.000 -0.848 0.000 0.953 233 F CB 1.864 40.511 39.000 -0.589 0.000 1.322 233 F HN 0.362 nan 8.300 nan 0.000 0.479 234 S N 0.028 115.459 115.700 -0.449 0.000 2.595 234 S HA 0.675 5.146 4.470 0.001 0.000 0.270 234 S C -0.722 173.923 174.600 0.074 0.000 1.145 234 S CA -0.244 57.943 58.200 -0.022 0.000 0.825 234 S CB 1.016 64.346 63.200 0.216 0.000 1.107 234 S HN 1.520 nan 8.310 nan 0.000 0.461 235 G N 0.468 109.403 108.800 0.225 0.000 2.580 235 G HA2 0.352 4.312 3.960 0.001 0.000 0.278 235 G HA3 0.352 4.312 3.960 0.001 0.000 0.278 235 G C 0.402 175.391 174.900 0.149 0.000 1.212 235 G CA -0.154 45.015 45.100 0.116 0.000 0.939 235 G HN 0.845 nan 8.290 nan 0.000 0.513 236 Q N -0.674 119.165 119.800 0.065 0.000 2.291 236 Q HA -0.104 4.236 4.340 0.001 0.000 0.206 236 Q C 2.227 178.204 176.000 -0.037 0.000 0.976 236 Q CA 1.435 57.270 55.803 0.054 0.000 0.875 236 Q CB -0.110 28.663 28.738 0.059 0.000 0.927 236 Q HN 0.492 nan 8.270 nan 0.000 0.450 237 S N -0.589 115.005 115.700 -0.176 0.000 2.515 237 S HA -0.013 4.458 4.470 0.001 0.000 0.231 237 S C 0.408 174.589 174.600 -0.698 0.000 0.987 237 S CA 0.565 58.474 58.200 -0.485 0.000 0.936 237 S CB 0.092 62.857 63.200 -0.725 0.000 0.766 237 S HN 0.402 nan 8.310 nan 0.000 0.528 238 F N 0.303 120.270 119.950 0.028 0.000 2.834 238 F HA 0.461 4.989 4.527 0.001 0.000 0.332 238 F C 0.988 176.811 175.800 0.038 0.000 1.056 238 F CA -0.871 57.141 58.000 0.020 0.000 1.178 238 F CB -0.311 38.690 39.000 0.001 0.000 1.037 238 F HN -0.050 nan 8.300 nan 0.000 0.580 239 A N 1.556 124.514 122.820 0.230 0.000 2.553 239 A HA 0.130 4.450 4.320 0.001 0.000 0.258 239 A C 0.837 178.433 177.584 0.019 0.000 1.069 239 A CA 0.286 52.405 52.037 0.137 0.000 0.767 239 A CB -0.878 18.216 19.000 0.157 0.000 0.997 239 A HN 0.577 nan 8.150 nan 0.000 0.512 240 E N 0.926 121.093 120.200 -0.055 0.000 2.320 240 E HA -0.206 4.145 4.350 0.001 0.000 0.234 240 E C 0.351 176.948 176.600 -0.005 0.000 1.183 240 E CA 0.412 56.781 56.400 -0.052 0.000 0.713 240 E CB -0.638 29.026 29.700 -0.060 0.000 1.226 240 E HN 0.686 nan 8.360 nan 0.000 0.382 241 R N -0.837 119.680 120.500 0.028 0.000 2.531 241 R HA 0.087 4.427 4.340 0.001 0.000 0.316 241 R C 1.813 178.145 176.300 0.054 0.000 0.955 241 R CA 1.015 57.140 56.100 0.041 0.000 1.120 241 R CB 0.557 30.890 30.300 0.054 0.000 1.361 241 R HN 0.301 nan 8.270 nan 0.000 0.534 242 S N -1.647 114.081 115.700 0.046 0.000 2.492 242 S HA 0.145 4.615 4.470 0.001 0.000 0.218 242 S C 1.474 176.091 174.600 0.028 0.000 1.016 242 S CA 0.782 59.004 58.200 0.036 0.000 0.916 242 S CB 0.652 63.861 63.200 0.015 0.000 0.791 242 S HN 0.328 nan 8.310 nan 0.000 0.513 243 G N 2.011 110.825 108.800 0.022 0.000 2.253 243 G HA2 -0.315 3.646 3.960 0.001 0.000 0.251 243 G HA3 -0.315 3.646 3.960 0.001 0.000 0.251 243 G C 0.722 175.643 174.900 0.035 0.000 0.998 243 G CA 0.292 45.408 45.100 0.027 0.000 0.621 243 G HN 0.578 nan 8.290 nan 0.000 0.524 244 R N 0.930 121.453 120.500 0.038 0.000 2.609 244 R HA 0.474 4.815 4.340 0.001 0.000 0.326 244 R C 1.466 177.800 176.300 0.057 0.000 1.090 244 R CA 1.059 57.193 56.100 0.056 0.000 1.072 244 R CB -0.583 29.752 30.300 0.059 0.000 1.330 244 R HN 1.555 nan 8.270 nan 0.000 0.572 245 G N 1.165 109.978 108.800 0.021 0.000 2.645 245 G HA2 -0.307 3.654 3.960 0.001 0.000 0.246 245 G HA3 -0.307 3.654 3.960 0.001 0.000 0.246 245 G C -1.779 173.114 174.900 -0.011 0.000 1.322 245 G CA -0.263 44.834 45.100 -0.006 0.000 0.898 245 G HN 0.177 nan 8.290 nan 0.000 0.573 246 P HA -0.104 nan 4.420 nan 0.000 0.216 246 P C 1.826 179.237 177.300 0.185 0.000 1.157 246 P CA 2.256 65.379 63.100 0.039 0.000 0.880 246 P CB -0.112 31.661 31.700 0.122 0.000 0.791 247 F N 0.173 120.151 119.950 0.047 0.000 2.171 247 F HA -0.056 4.471 4.527 0.001 0.000 0.300 247 F C 2.206 177.972 175.800 -0.056 0.000 1.090 247 F CA 1.942 59.949 58.000 0.010 0.000 1.293 247 F CB -0.941 38.054 39.000 -0.008 0.000 1.013 247 F HN -0.156 nan 8.300 nan 0.000 0.486 248 G N -0.117 108.752 108.800 0.115 0.000 2.418 248 G HA2 -0.255 3.705 3.960 0.001 0.000 0.217 248 G HA3 -0.255 3.705 3.960 0.001 0.000 0.217 248 G C 1.361 176.193 174.900 -0.114 0.000 1.158 248 G CA 1.036 46.133 45.100 -0.006 0.000 0.771 248 G HN 0.333 nan 8.290 nan 0.000 0.545 249 D N 0.477 120.844 120.400 -0.056 0.000 2.117 249 D HA -0.115 4.526 4.640 0.001 0.000 0.197 249 D C 2.632 178.801 176.300 -0.219 0.000 0.987 249 D CA 1.410 55.398 54.000 -0.021 0.000 0.829 249 D CB -0.418 40.456 40.800 0.122 0.000 0.961 249 D HN 0.304 nan 8.370 nan 0.000 0.460 250 S N 0.036 115.563 115.700 -0.289 0.000 2.382 250 S HA -0.124 4.346 4.470 0.001 0.000 0.228 250 S C 1.808 175.821 174.600 -0.979 0.000 1.027 250 S CA 0.423 58.211 58.200 -0.686 0.000 0.991 250 S CB -0.138 62.750 63.200 -0.520 0.000 0.823 250 S HN 0.111 nan 8.310 nan 0.000 0.469 251 L N 1.223 122.020 121.223 -0.710 0.000 2.109 251 L HA 0.264 4.604 4.340 0.001 0.000 0.207 251 L C 2.268 178.850 176.870 -0.480 0.000 1.086 251 L CA 1.762 56.251 54.840 -0.586 0.000 0.760 251 L CB -0.692 41.083 42.059 -0.474 0.000 0.910 251 L HN 0.419 nan 8.230 nan 0.000 0.437 252 M N -0.916 118.419 119.600 -0.440 0.000 2.213 252 M HA -0.230 4.250 4.480 0.001 0.000 0.263 252 M C 2.137 177.992 176.300 -0.742 0.000 1.062 252 M CA 1.852 56.938 55.300 -0.357 0.000 1.105 252 M CB -0.016 32.518 32.600 -0.109 0.000 1.385 252 M HN 0.444 nan 8.290 nan 0.000 0.417 253 E N 0.229 119.673 120.200 -1.260 0.000 2.072 253 E HA -0.191 4.159 4.350 0.001 0.000 0.190 253 E C 2.033 178.258 176.600 -0.624 0.000 0.982 253 E CA 0.876 56.328 56.400 -1.580 0.000 0.803 253 E CB -0.160 28.759 29.700 -1.303 0.000 0.755 253 E HN 0.559 nan 8.360 nan 0.000 0.453 254 L N 1.045 121.941 121.223 -0.543 0.000 2.083 254 L HA -0.212 4.128 4.340 0.001 0.000 0.209 254 L C 1.987 178.821 176.870 -0.060 0.000 1.083 254 L CA 2.270 57.030 54.840 -0.134 0.000 0.752 254 L CB -0.422 41.548 42.059 -0.148 0.000 0.899 254 L HN 0.275 nan 8.230 nan 0.000 0.433 255 D N -0.460 119.837 120.400 -0.173 0.000 2.117 255 D HA -0.168 4.472 4.640 0.001 0.000 0.198 255 D C 2.145 178.417 176.300 -0.046 0.000 0.982 255 D CA 1.391 55.320 54.000 -0.118 0.000 0.828 255 D CB 0.176 40.896 40.800 -0.134 0.000 0.967 255 D HN 0.381 nan 8.370 nan 0.000 0.464 256 A N 0.484 123.283 122.820 -0.035 0.000 1.902 256 A HA 0.051 4.371 4.320 0.001 0.000 0.217 256 A C 2.384 180.021 177.584 0.089 0.000 1.181 256 A CA 1.960 54.055 52.037 0.097 0.000 0.623 256 A CB -1.107 18.089 19.000 0.326 0.000 0.818 256 A HN 0.329 nan 8.150 nan 0.000 0.443 257 A N -0.490 122.381 122.820 0.085 0.000 1.940 257 A HA -0.054 4.267 4.320 0.001 0.000 0.219 257 A C 2.193 179.832 177.584 0.091 0.000 1.176 257 A CA 1.944 54.052 52.037 0.118 0.000 0.631 257 A CB -0.873 18.288 19.000 0.268 0.000 0.814 257 A HN 0.428 nan 8.150 nan 0.000 0.446 258 V N -0.354 119.627 119.914 0.111 0.000 2.453 258 V HA -0.115 4.006 4.120 0.001 0.000 0.247 258 V C 2.754 178.857 176.094 0.015 0.000 1.048 258 V CA 1.714 64.063 62.300 0.082 0.000 1.049 258 V CB -1.324 30.521 31.823 0.036 0.000 0.672 258 V HN 0.606 nan 8.190 nan 0.000 0.457 259 G N 0.729 109.535 108.800 0.009 0.000 2.404 259 G HA2 -0.268 3.692 3.960 0.001 0.000 0.215 259 G HA3 -0.268 3.692 3.960 0.001 0.000 0.215 259 G C 1.805 176.714 174.900 0.015 0.000 1.174 259 G CA 1.622 46.722 45.100 -0.000 0.000 0.780 259 G HN 0.554 nan 8.290 nan 0.000 0.537 260 T N -0.052 114.522 114.554 0.033 0.000 2.833 260 T HA 0.017 4.368 4.350 0.001 0.000 0.269 260 T C 2.408 177.120 174.700 0.019 0.000 1.054 260 T CA 1.068 63.190 62.100 0.035 0.000 1.135 260 T CB -0.262 68.634 68.868 0.046 0.000 0.869 260 T HN 0.183 nan 8.240 nan 0.000 0.466 261 L N -0.477 120.747 121.223 0.001 0.000 2.072 261 L HA 0.023 4.363 4.340 0.001 0.000 0.205 261 L C 2.989 179.867 176.870 0.013 0.000 1.079 261 L CA 0.947 55.781 54.840 -0.010 0.000 0.752 261 L CB -0.530 41.522 42.059 -0.010 0.000 0.906 261 L HN 0.213 nan 8.230 nan 0.000 0.436 262 M N -0.727 118.879 119.600 0.009 0.000 2.213 262 M HA -0.130 4.350 4.480 0.001 0.000 0.263 262 M C 2.310 178.627 176.300 0.028 0.000 1.062 262 M CA 1.687 56.992 55.300 0.008 0.000 1.105 262 M CB -1.482 31.081 32.600 -0.061 0.000 1.385 262 M HN 0.223 nan 8.290 nan 0.000 0.417 263 T N 1.068 115.636 114.554 0.023 0.000 2.737 263 T HA -0.016 4.335 4.350 0.001 0.000 0.265 263 T C 1.967 176.686 174.700 0.032 0.000 1.038 263 T CA 1.596 63.716 62.100 0.034 0.000 1.144 263 T CB -0.390 68.501 68.868 0.037 0.000 0.866 263 T HN 0.460 nan 8.240 nan 0.000 0.434 264 A N 1.236 124.066 122.820 0.017 0.000 1.908 264 A HA -0.051 4.270 4.320 0.001 0.000 0.218 264 A C 2.288 179.826 177.584 -0.078 0.000 1.181 264 A CA 1.321 53.330 52.037 -0.046 0.000 0.627 264 A CB -0.853 18.092 19.000 -0.093 0.000 0.818 264 A HN 0.543 nan 8.150 nan 0.000 0.445 265 I N -0.629 119.936 120.570 -0.008 0.000 2.439 265 I HA -0.138 4.033 4.170 0.001 0.000 0.251 265 I C 2.615 178.780 176.117 0.079 0.000 1.139 265 I CA 0.898 62.235 61.300 0.061 0.000 1.438 265 I CB -0.512 37.576 38.000 0.147 0.000 1.085 265 I HN 0.403 nan 8.210 nan 0.000 0.427 266 G N 0.539 109.382 108.800 0.071 0.000 2.402 266 G HA2 -0.202 3.758 3.960 0.001 0.000 0.216 266 G HA3 -0.202 3.758 3.960 0.001 0.000 0.216 266 G C 1.238 176.174 174.900 0.059 0.000 1.162 266 G CA 0.631 45.779 45.100 0.080 0.000 0.777 266 G HN 0.274 nan 8.290 nan 0.000 0.539 267 D N 0.563 120.987 120.400 0.039 0.000 2.218 267 D HA -0.038 4.603 4.640 0.001 0.000 0.204 267 D C 2.280 178.595 176.300 0.025 0.000 0.976 267 D CA 0.482 54.503 54.000 0.034 0.000 0.853 267 D CB -0.024 40.799 40.800 0.039 0.000 0.939 267 D HN 0.313 nan 8.370 nan 0.000 0.481 268 L N -0.331 120.899 121.223 0.011 0.000 2.591 268 L HA 0.190 4.530 4.340 0.001 0.000 0.228 268 L C 1.307 178.207 176.870 0.050 0.000 1.133 268 L CA 0.113 54.961 54.840 0.014 0.000 0.880 268 L CB -0.189 41.859 42.059 -0.018 0.000 1.033 268 L HN 0.021 nan 8.230 nan 0.000 0.450 269 G N 1.063 109.900 108.800 0.063 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 0.499 175.458 174.900 0.099 0.000 1.024 269 G CA 0.260 45.406 45.100 0.076 0.000 0.784 269 G HN 0.407 nan 8.290 nan 0.000 0.507 270 L N -0.445 120.851 121.223 0.121 0.000 2.872 270 L HA 0.361 4.702 4.340 0.001 0.000 0.245 270 L C 2.463 179.441 176.870 0.179 0.000 1.211 270 L CA -0.508 54.421 54.840 0.148 0.000 1.013 270 L CB -0.073 42.098 42.059 0.186 0.000 1.326 270 L HN 0.244 nan 8.230 nan 0.000 0.525 271 L N 0.067 121.401 121.223 0.184 0.000 1.970 271 L HA -0.202 4.138 4.340 0.001 0.000 0.212 271 L C 2.032 179.064 176.870 0.271 0.000 1.071 271 L CA 1.729 56.712 54.840 0.238 0.000 0.751 271 L CB -0.179 42.011 42.059 0.218 0.000 0.889 271 L HN 0.414 nan 8.230 nan 0.000 0.432 272 E N -0.383 119.956 120.200 0.231 0.000 2.511 272 E HA -0.115 4.236 4.350 0.001 0.000 0.196 272 E C 0.767 177.600 176.600 0.389 0.000 1.066 272 E CA 0.300 56.865 56.400 0.276 0.000 0.871 272 E CB 0.154 29.964 29.700 0.183 0.000 0.863 272 E HN 0.569 nan 8.360 nan 0.000 0.520 273 E N 0.216 120.598 120.200 0.304 0.000 2.603 273 E HA 0.097 4.447 4.350 0.001 0.000 0.211 273 E C -0.500 176.141 176.600 0.068 0.000 0.995 273 E CA 0.051 56.596 56.400 0.243 0.000 0.990 273 E CB 1.164 30.949 29.700 0.141 0.000 1.036 273 E HN -0.103 nan 8.360 nan 0.000 0.475 274 T N 1.467 116.060 114.554 0.066 0.000 2.881 274 T HA 0.315 4.666 4.350 0.001 0.000 0.291 274 T C -1.086 173.444 174.700 -0.283 0.000 0.990 274 T CA -0.607 61.418 62.100 -0.126 0.000 0.976 274 T CB 1.529 70.443 68.868 0.078 0.000 0.970 274 T HN -0.021 nan 8.240 nan 0.000 0.438 275 L N 5.494 126.354 121.223 -0.605 0.000 2.260 275 L HA 0.654 4.995 4.340 0.001 0.000 0.289 275 L C -0.864 175.958 176.870 -0.079 0.000 1.057 275 L CA -0.210 54.294 54.840 -0.561 0.000 0.811 275 L CB 0.572 42.080 42.059 -0.920 0.000 1.184 275 L HN 0.422 nan 8.230 nan 0.000 0.429 276 V N 7.021 127.029 119.914 0.157 0.000 2.435 276 V HA 0.512 4.632 4.120 0.001 0.000 0.290 276 V C 0.098 176.346 176.094 0.257 0.000 1.030 276 V CA -0.419 62.024 62.300 0.237 0.000 0.881 276 V CB 1.570 33.575 31.823 0.303 0.000 0.983 276 V HN 0.617 nan 8.190 nan 0.000 0.445 277 I N 4.879 125.584 120.570 0.226 0.000 2.545 277 I HA 0.512 4.683 4.170 0.001 0.000 0.292 277 I C -1.191 175.072 176.117 0.242 0.000 1.040 277 I CA -0.475 60.950 61.300 0.208 0.000 1.068 277 I CB 2.171 40.251 38.000 0.133 0.000 1.251 277 I HN 0.548 nan 8.210 nan 0.000 0.424 278 F N 4.720 124.697 119.950 0.045 0.000 2.551 278 F HA 0.771 5.299 4.527 0.001 0.000 0.316 278 F C -0.516 175.235 175.800 -0.082 0.000 1.089 278 F CA 0.162 58.177 58.000 0.025 0.000 0.915 278 F CB 2.032 41.050 39.000 0.031 0.000 1.186 278 F HN 0.467 nan 8.300 nan 0.000 0.456 279 T N 2.561 116.686 114.554 -0.714 0.000 2.677 279 T HA 0.742 5.092 4.350 0.001 0.000 0.305 279 T C -1.576 172.726 174.700 -0.664 0.000 1.569 279 T CA -0.550 61.240 62.100 -0.516 0.000 0.984 279 T CB 1.085 69.799 68.868 -0.257 0.000 1.629 279 T HN 0.775 nan 8.240 nan 0.000 0.494 280 A N 0.507 123.051 122.820 -0.460 0.000 2.423 280 A HA 0.718 5.039 4.320 0.001 0.000 0.304 280 A C 0.537 177.733 177.584 -0.646 0.000 1.104 280 A CA -0.499 51.197 52.037 -0.569 0.000 0.757 280 A CB 1.024 19.837 19.000 -0.312 0.000 1.313 280 A HN 0.886 nan 8.150 nan 0.000 0.423 281 D N 0.133 120.013 120.400 -0.866 0.000 2.213 281 D HA -0.024 4.617 4.640 0.001 0.000 0.205 281 D C 0.287 176.514 176.300 -0.122 0.000 0.961 281 D CA 1.282 54.943 54.000 -0.565 0.000 0.853 281 D CB -0.123 40.367 40.800 -0.517 0.000 0.967 281 D HN 0.679 nan 8.370 nan 0.000 0.496 282 N N -1.355 117.274 118.700 -0.118 0.000 3.116 282 N HA 0.263 5.003 4.740 0.001 0.000 0.244 282 N C 0.089 175.585 175.510 -0.024 0.000 1.485 282 N CA -0.629 52.404 53.050 -0.028 0.000 0.884 282 N CB 0.916 39.390 38.487 -0.021 0.000 1.415 282 N HN 0.014 nan 8.380 nan 0.000 0.524 283 G N -0.012 108.791 108.800 0.005 0.000 2.732 283 G HA2 0.255 4.216 3.960 0.001 0.000 0.244 283 G HA3 0.255 4.216 3.960 0.001 0.000 0.244 283 G C -2.329 172.574 174.900 0.006 0.000 1.226 283 G CA -0.619 44.490 45.100 0.014 0.000 0.860 283 G HN 0.516 nan 8.290 nan 0.000 0.583 284 P HA 0.103 nan 4.420 nan 0.000 0.271 284 P C -0.446 176.854 177.300 -0.000 0.000 1.220 284 P CA -0.037 63.062 63.100 -0.000 0.000 0.768 284 P CB 1.138 32.819 31.700 -0.031 0.000 0.848 285 E N 2.197 122.397 120.200 -0.001 0.000 2.029 285 E HA 0.067 4.417 4.350 0.001 0.000 0.276 285 E C 1.033 177.624 176.600 -0.016 0.000 1.163 285 E CA -0.149 56.264 56.400 0.022 0.000 0.909 285 E CB 0.190 29.900 29.700 0.017 0.000 1.046 285 E HN 0.410 nan 8.360 nan 0.000 0.406 286 T N 1.555 116.102 114.554 -0.012 0.000 3.088 286 T HA -0.132 4.218 4.350 0.001 0.000 0.259 286 T C 1.752 176.414 174.700 -0.064 0.000 1.122 286 T CA 0.694 62.767 62.100 -0.045 0.000 1.095 286 T CB -0.197 68.654 68.868 -0.029 0.000 0.930 286 T HN 0.641 nan 8.240 nan 0.000 0.508 287 M N -0.037 119.523 119.600 -0.066 0.000 2.460 287 M HA 0.163 4.644 4.480 0.001 0.000 0.263 287 M C 1.835 178.069 176.300 -0.109 0.000 1.071 287 M CA 0.974 56.212 55.300 -0.103 0.000 1.096 287 M CB -0.363 32.161 32.600 -0.127 0.000 1.408 287 M HN -0.062 nan 8.290 nan 0.000 0.463 288 R N 1.076 121.519 120.500 -0.096 0.000 2.307 288 R HA 0.253 4.593 4.340 0.001 0.000 0.199 288 R C 1.007 177.274 176.300 -0.055 0.000 1.000 288 R CA 0.476 56.524 56.100 -0.088 0.000 1.023 288 R CB -0.776 29.496 30.300 -0.046 0.000 0.908 288 R HN 0.653 nan 8.270 nan 0.000 0.473 289 M N -0.987 118.573 119.600 -0.067 0.000 7.319 289 M HA -0.374 4.106 4.480 0.001 0.000 0.213 289 M C 1.413 177.677 176.300 -0.059 0.000 0.480 289 M CA 1.859 57.125 55.300 -0.058 0.000 1.311 289 M CB -1.440 31.134 32.600 -0.043 0.000 0.421 289 M HN 0.020 nan 8.290 nan 0.000 0.606 290 S N 0.212 115.892 115.700 -0.032 0.000 2.461 290 S HA -0.156 4.314 4.470 0.001 0.000 0.246 290 S C 1.207 175.804 174.600 -0.005 0.000 1.007 290 S CA 1.968 60.155 58.200 -0.021 0.000 0.976 290 S CB -0.576 62.628 63.200 0.005 0.000 0.763 290 S HN 0.376 nan 8.310 nan 0.000 0.508 291 R N 0.636 121.153 120.500 0.028 0.000 2.507 291 R HA 0.277 4.617 4.340 0.001 0.000 0.298 291 R C 0.812 177.191 176.300 0.132 0.000 0.999 291 R CA -0.141 56.044 56.100 0.140 0.000 1.082 291 R CB 0.710 31.127 30.300 0.195 0.000 1.246 291 R HN 0.275 nan 8.270 nan 0.000 0.553 292 G N -0.760 107.958 108.800 -0.135 0.000 2.597 292 G HA2 0.528 4.489 3.960 0.001 0.000 0.317 292 G HA3 0.528 4.489 3.960 0.001 0.000 0.317 292 G C -0.032 174.360 174.900 -0.846 0.000 1.230 292 G CA -0.571 44.383 45.100 -0.242 0.000 0.996 292 G HN 0.128 nan 8.290 nan 0.000 0.490 293 G N -2.051 106.382 108.800 -0.610 0.000 2.525 293 G HA2 0.403 4.364 3.960 0.001 0.000 0.276 293 G HA3 0.403 4.364 3.960 0.001 0.000 0.276 293 G C -0.548 174.136 174.900 -0.360 0.000 1.388 293 G CA 0.236 44.944 45.100 -0.654 0.000 1.050 293 G HN 1.217 nan 8.290 nan 0.000 0.520 294 C N -0.384 118.820 119.300 -0.161 0.000 2.599 294 C HA 0.561 5.021 4.460 0.001 0.000 0.354 294 C C 1.520 176.540 174.990 0.050 0.000 1.092 294 C CA -0.022 58.979 59.018 -0.028 0.000 1.280 294 C CB 0.528 28.312 27.740 0.073 0.000 1.829 294 C HN 0.909 nan 8.230 nan 0.000 0.454 295 S N 4.341 120.070 115.700 0.047 0.000 2.489 295 S HA 0.383 4.853 4.470 0.001 0.000 0.228 295 S C 1.337 176.018 174.600 0.134 0.000 0.995 295 S CA 1.233 59.484 58.200 0.086 0.000 0.934 295 S CB -0.349 62.873 63.200 0.036 0.000 0.771 295 S HN 2.489 nan 8.310 nan 0.000 0.522 296 G N 2.733 111.596 108.800 0.105 0.000 2.523 296 G HA2 -0.358 3.602 3.960 0.001 0.000 0.271 296 G HA3 -0.358 3.602 3.960 0.001 0.000 0.271 296 G C 0.673 175.607 174.900 0.058 0.000 1.146 296 G CA 0.200 45.368 45.100 0.113 0.000 0.961 296 G HN 1.155 nan 8.290 nan 0.000 0.549 297 L N 0.120 121.384 121.223 0.070 0.000 2.291 297 L HA 0.460 4.801 4.340 0.001 0.000 0.214 297 L C 1.631 178.473 176.870 -0.048 0.000 1.120 297 L CA 0.296 55.141 54.840 0.008 0.000 0.799 297 L CB -0.573 41.499 42.059 0.022 0.000 0.925 297 L HN 0.458 nan 8.230 nan 0.000 0.446 298 L N 1.166 122.354 121.223 -0.058 0.000 2.479 298 L HA 0.142 4.483 4.340 0.001 0.000 0.270 298 L C 0.696 177.503 176.870 -0.105 0.000 1.236 298 L CA -0.020 54.751 54.840 -0.116 0.000 0.823 298 L CB 0.095 42.061 42.059 -0.154 0.000 1.098 298 L HN 0.214 nan 8.230 nan 0.000 0.500 299 R N 0.203 120.619 120.500 -0.140 0.000 2.368 299 R HA 0.386 4.727 4.340 0.001 0.000 0.302 299 R C -0.252 175.982 176.300 -0.111 0.000 1.002 299 R CA -0.296 55.688 56.100 -0.194 0.000 0.929 299 R CB 0.878 30.954 30.300 -0.373 0.000 1.073 299 R HN 0.876 nan 8.270 nan 0.000 0.464 300 c N 0.572 119.109 118.600 -0.104 0.000 0.168 300 c HA -0.176 4.394 4.570 0.001 0.000 0.017 300 c C 1.069 175.189 174.090 0.051 0.000 0.171 300 c CA 0.089 56.425 56.329 0.011 0.000 0.499 300 c CB -1.563 41.031 42.510 0.140 0.000 3.212 300 c HN 1.065 nan 8.230 nan 0.000 1.118 301 G N -0.612 108.244 108.800 0.094 0.000 2.726 301 G HA2 0.538 4.499 3.960 0.001 0.000 0.198 301 G HA3 0.538 4.499 3.960 0.001 0.000 0.198 301 G C -1.036 173.908 174.900 0.074 0.000 1.195 301 G CA 0.164 45.304 45.100 0.067 0.000 0.951 301 G HN 1.075 nan 8.290 nan 0.000 0.532 302 K N 0.372 120.799 120.400 0.045 0.000 2.550 302 K HA 0.334 4.655 4.320 0.001 0.000 0.280 302 K C 1.267 177.876 176.600 0.014 0.000 0.987 302 K CA 1.635 57.922 56.287 0.001 0.000 1.048 302 K CB -0.052 32.423 32.500 -0.042 0.000 0.879 302 K HN 1.757 nan 8.250 nan 0.000 0.491 303 G N 2.239 111.021 108.800 -0.030 0.000 2.217 303 G HA2 -0.284 3.676 3.960 0.001 0.000 0.246 303 G HA3 -0.284 3.676 3.960 0.001 0.000 0.246 303 G C 0.112 175.065 174.900 0.089 0.000 0.990 303 G CA 0.539 45.652 45.100 0.022 0.000 0.627 303 G HN 0.888 nan 8.290 nan 0.000 0.522 304 T N -2.064 112.546 114.554 0.095 0.000 2.940 304 T HA 0.614 4.965 4.350 0.001 0.000 0.288 304 T C 1.183 175.886 174.700 0.006 0.000 1.033 304 T CA 0.751 62.902 62.100 0.085 0.000 1.033 304 T CB 1.692 70.689 68.868 0.216 0.000 1.079 304 T HN 0.836 nan 8.240 nan 0.000 0.496 305 T N -1.499 112.993 114.554 -0.104 0.000 3.144 305 T HA 0.209 4.560 4.350 0.001 0.000 0.249 305 T C 0.029 174.595 174.700 -0.224 0.000 1.089 305 T CA -0.292 61.723 62.100 -0.142 0.000 0.989 305 T CB -0.849 68.014 68.868 -0.008 0.000 0.992 305 T HN 0.584 nan 8.240 nan 0.000 0.540 306 Y N 2.134 122.448 120.300 0.023 0.000 2.299 306 Y HA 0.303 4.853 4.550 0.000 0.000 0.335 306 Y C 1.800 177.642 175.900 -0.095 0.000 1.287 306 Y CA -1.264 56.826 58.100 -0.016 0.000 1.424 306 Y CB 0.527 38.958 38.460 -0.048 0.000 1.326 306 Y HN -0.046 nan 8.280 nan 0.000 0.567 307 E N 1.440 121.684 120.200 0.074 0.000 2.114 307 E HA -0.206 4.144 4.350 0.001 0.000 0.199 307 E C 2.191 178.760 176.600 -0.053 0.000 1.008 307 E CA 1.508 57.892 56.400 -0.026 0.000 0.810 307 E CB -0.642 29.013 29.700 -0.075 0.000 0.739 307 E HN 1.016 nan 8.360 nan 0.000 0.456 308 G N 0.165 108.958 108.800 -0.012 0.000 2.498 308 G HA2 -0.148 3.812 3.960 0.001 0.000 0.219 308 G HA3 -0.148 3.812 3.960 0.001 0.000 0.219 308 G C 1.465 176.384 174.900 0.031 0.000 1.119 308 G CA 0.937 46.038 45.100 0.001 0.000 0.766 308 G HN 0.401 nan 8.290 nan 0.000 0.552 309 G N -0.317 108.509 108.800 0.044 0.000 2.784 309 G HA2 0.174 4.135 3.960 0.001 0.000 0.208 309 G HA3 0.174 4.135 3.960 0.001 0.000 0.208 309 G C 1.522 176.447 174.900 0.042 0.000 1.120 309 G CA 1.099 46.225 45.100 0.044 0.000 0.774 309 G HN 0.601 nan 8.290 nan 0.000 0.528 310 V N -2.634 117.297 119.914 0.028 0.000 3.379 310 V HA 0.444 4.564 4.120 0.001 0.000 0.249 310 V C 1.005 177.169 176.094 0.116 0.000 1.184 310 V CA -0.136 62.233 62.300 0.115 0.000 1.106 310 V CB -0.097 31.770 31.823 0.074 0.000 0.826 310 V HN 0.087 nan 8.190 nan 0.000 0.465 311 R N 2.080 122.531 120.500 -0.082 0.000 2.220 311 R HA 0.315 4.655 4.340 0.001 0.000 0.340 311 R C -0.664 175.655 176.300 0.031 0.000 1.076 311 R CA -0.174 55.742 56.100 -0.306 0.000 0.920 311 R CB 0.433 30.374 30.300 -0.598 0.000 1.062 311 R HN 0.471 nan 8.270 nan 0.000 0.469 312 E N 5.268 125.548 120.200 0.134 0.000 2.222 312 E HA 0.400 4.750 4.350 0.001 0.000 0.267 312 E C -2.299 174.362 176.600 0.101 0.000 0.963 312 E CA -2.374 54.100 56.400 0.124 0.000 0.837 312 E CB 1.358 31.107 29.700 0.081 0.000 1.183 312 E HN 0.492 nan 8.360 nan 0.000 0.403 313 P HA 0.316 nan 4.420 nan 0.000 0.272 313 P C -1.152 176.061 177.300 -0.145 0.000 1.240 313 P CA -0.290 62.614 63.100 -0.327 0.000 0.791 313 P CB 0.821 32.057 31.700 -0.774 0.000 0.978 314 A N 1.229 124.082 122.820 0.054 0.000 2.566 314 A HA 0.682 5.003 4.320 0.001 0.000 0.297 314 A C -1.601 176.140 177.584 0.262 0.000 1.059 314 A CA -0.587 51.387 52.037 -0.105 0.000 0.691 314 A CB 0.957 19.469 19.000 -0.815 0.000 1.282 314 A HN 0.413 nan 8.150 nan 0.000 0.401 315 L N 1.584 122.959 121.223 0.253 0.000 2.541 315 L HA 0.660 5.000 4.340 0.001 0.000 0.266 315 L C 0.172 177.253 176.870 0.351 0.000 0.966 315 L CA -0.612 54.432 54.840 0.340 0.000 0.871 315 L CB 1.877 44.089 42.059 0.254 0.000 1.232 315 L HN 0.928 nan 8.230 nan 0.000 0.408 316 A N 3.090 126.174 122.820 0.441 0.000 2.309 316 A HA 0.783 5.103 4.320 0.001 0.000 0.298 316 A C -1.290 176.557 177.584 0.438 0.000 1.165 316 A CA -0.169 52.123 52.037 0.425 0.000 0.821 316 A CB 0.779 20.075 19.000 0.493 0.000 1.102 316 A HN 0.558 nan 8.150 nan 0.000 0.500 317 F N 2.534 122.635 119.950 0.253 0.000 2.573 317 F HA 0.622 5.150 4.527 0.001 0.000 0.316 317 F C -1.702 174.301 175.800 0.339 0.000 1.148 317 F CA -0.367 57.781 58.000 0.247 0.000 0.940 317 F CB 1.844 40.957 39.000 0.188 0.000 1.214 317 F HN 0.659 nan 8.300 nan 0.000 0.448 318 W N 9.618 130.676 121.300 -0.403 0.000 1.980 318 W HA 0.300 4.961 4.660 0.001 0.000 0.290 318 W C -3.122 173.268 176.519 -0.214 0.000 1.049 318 W CA -2.420 54.789 57.345 -0.227 0.000 0.883 318 W CB 0.089 29.503 29.460 -0.077 0.000 0.736 318 W HN 0.310 nan 8.180 nan 0.000 0.241 319 P HA 0.211 nan 4.420 nan 0.000 0.261 319 P C 0.960 178.215 177.300 -0.074 0.000 1.165 319 P CA 3.394 66.391 63.100 -0.173 0.000 0.759 319 P CB 0.623 32.266 31.700 -0.096 0.000 0.772 320 G N 2.279 110.968 108.800 -0.184 0.000 2.205 320 G HA2 -0.305 3.656 3.960 0.001 0.000 0.261 320 G HA3 -0.305 3.656 3.960 0.001 0.000 0.261 320 G C 0.653 175.153 174.900 -0.667 0.000 0.980 320 G CA 0.671 45.556 45.100 -0.357 0.000 0.632 320 G HN 0.655 nan 8.290 nan 0.000 0.533 321 H N -1.062 117.704 119.070 -0.507 0.000 2.824 321 H HA 0.409 4.965 4.556 0.001 0.000 0.238 321 H C 0.865 176.008 175.328 -0.307 0.000 0.931 321 H CA 0.202 55.894 56.048 -0.593 0.000 1.090 321 H CB 0.534 29.467 29.762 -1.381 0.000 1.433 321 H HN 0.347 nan 8.280 nan 0.000 0.437 322 I N 2.293 122.823 120.570 -0.067 0.000 2.307 322 I HA 0.412 4.583 4.170 0.001 0.000 0.289 322 I C 0.298 176.392 176.117 -0.039 0.000 1.021 322 I CA -0.840 60.469 61.300 0.016 0.000 1.224 322 I CB 0.343 38.412 38.000 0.116 0.000 1.376 322 I HN 0.146 nan 8.210 nan 0.000 0.470 323 A N 9.263 132.062 122.820 -0.034 0.000 2.409 323 A HA 0.524 4.845 4.320 0.001 0.000 0.267 323 A C -2.204 175.368 177.584 -0.020 0.000 1.127 323 A CA -1.066 50.946 52.037 -0.042 0.000 0.795 323 A CB -0.416 18.556 19.000 -0.046 0.000 1.061 323 A HN 0.470 nan 8.150 nan 0.000 0.502 324 P HA 0.358 nan 4.420 nan 0.000 0.261 324 P C 0.548 177.844 177.300 -0.007 0.000 1.203 324 P CA 1.002 64.109 63.100 0.011 0.000 0.767 324 P CB 0.759 32.470 31.700 0.018 0.000 0.785 325 G N 1.131 109.924 108.800 -0.011 0.000 2.490 325 G HA2 0.465 4.426 3.960 0.001 0.000 0.308 325 G HA3 0.465 4.426 3.960 0.001 0.000 0.308 325 G C -1.927 172.932 174.900 -0.068 0.000 1.286 325 G CA -0.470 44.603 45.100 -0.045 0.000 0.825 325 G HN 0.249 nan 8.290 nan 0.000 0.479 326 V N 0.582 120.423 119.914 -0.122 0.000 2.488 326 V HA 0.615 4.735 4.120 0.001 0.000 0.293 326 V C -0.085 175.820 176.094 -0.315 0.000 1.027 326 V CA -0.454 61.747 62.300 -0.166 0.000 0.862 326 V CB 1.238 32.984 31.823 -0.128 0.000 1.008 326 V HN 0.934 nan 8.190 nan 0.000 0.428 327 T N 2.814 117.179 114.554 -0.316 0.000 2.867 327 T HA 0.438 4.789 4.350 0.001 0.000 0.282 327 T C 0.468 175.039 174.700 -0.215 0.000 1.000 327 T CA -0.372 61.518 62.100 -0.350 0.000 1.042 327 T CB 0.627 69.282 68.868 -0.354 0.000 0.973 327 T HN 0.703 nan 8.240 nan 0.000 0.465 328 H N 1.977 121.058 119.070 0.020 0.000 2.549 328 H HA 0.335 4.891 4.556 0.001 0.000 0.279 328 H C 0.359 175.755 175.328 0.114 0.000 1.018 328 H CA -0.229 55.874 56.048 0.091 0.000 1.175 328 H CB 0.238 30.043 29.762 0.073 0.000 1.485 328 H HN 0.560 nan 8.280 nan 0.000 0.543 329 E N 0.924 121.216 120.200 0.154 0.000 2.413 329 E HA 0.044 4.395 4.350 0.001 0.000 0.263 329 E C -0.315 176.427 176.600 0.235 0.000 1.015 329 E CA -0.262 56.226 56.400 0.147 0.000 0.916 329 E CB 0.513 30.261 29.700 0.080 0.000 0.947 329 E HN 0.035 nan 8.360 nan 0.000 0.440 330 L N 2.498 123.830 121.223 0.181 0.000 2.455 330 L HA 0.369 4.709 4.340 0.001 0.000 0.272 330 L C -0.070 176.917 176.870 0.195 0.000 1.174 330 L CA 0.757 55.711 54.840 0.189 0.000 0.869 330 L CB 0.290 42.392 42.059 0.072 0.000 1.130 330 L HN 0.589 nan 8.230 nan 0.000 0.474 331 A N 2.606 125.550 122.820 0.206 0.000 2.589 331 A HA 0.769 5.089 4.320 0.001 0.000 0.296 331 A C -0.928 176.455 177.584 -0.335 0.000 1.062 331 A CA -0.462 51.601 52.037 0.044 0.000 0.686 331 A CB 1.885 21.042 19.000 0.262 0.000 1.282 331 A HN 0.505 nan 8.150 nan 0.000 0.404 332 S N -0.473 114.959 115.700 -0.446 0.000 2.632 332 S HA 0.602 5.073 4.470 0.001 0.000 0.289 332 S C 1.247 175.541 174.600 -0.510 0.000 1.115 332 S CA 0.335 58.216 58.200 -0.531 0.000 0.889 332 S CB 1.548 64.656 63.200 -0.153 0.000 1.116 332 S HN 1.834 nan 8.310 nan 0.000 0.486 333 S N 2.062 117.630 115.700 -0.220 0.000 2.474 333 S HA -0.013 4.457 4.470 0.001 0.000 0.235 333 S C 1.645 176.239 174.600 -0.009 0.000 0.997 333 S CA 0.770 59.025 58.200 0.092 0.000 0.949 333 S CB -0.695 62.658 63.200 0.256 0.000 0.766 333 S HN 0.643 nan 8.310 nan 0.000 0.517 334 L N 1.332 122.524 121.223 -0.053 0.000 2.362 334 L HA -0.007 4.333 4.340 0.001 0.000 0.219 334 L C 1.595 178.414 176.870 -0.085 0.000 1.134 334 L CA 0.934 55.729 54.840 -0.075 0.000 0.807 334 L CB -0.371 41.639 42.059 -0.082 0.000 0.927 334 L HN 0.265 nan 8.230 nan 0.000 0.447 335 D N -0.522 119.846 120.400 -0.054 0.000 2.354 335 D HA 0.000 4.641 4.640 0.001 0.000 0.209 335 D C 2.320 178.624 176.300 0.008 0.000 1.015 335 D CA 0.423 54.418 54.000 -0.007 0.000 0.867 335 D CB 0.308 41.149 40.800 0.068 0.000 0.933 335 D HN 0.307 nan 8.370 nan 0.000 0.520 336 L N 0.724 121.950 121.223 0.005 0.000 2.042 336 L HA -0.151 4.189 4.340 0.001 0.000 0.210 336 L C 2.534 179.365 176.870 -0.065 0.000 1.076 336 L CA 0.816 55.658 54.840 0.003 0.000 0.749 336 L CB -0.378 41.685 42.059 0.008 0.000 0.893 336 L HN 0.078 nan 8.230 nan 0.000 0.432 337 L N 0.387 121.548 121.223 -0.104 0.000 1.970 337 L HA -0.177 4.164 4.340 0.001 0.000 0.212 337 L C -0.300 176.493 176.870 -0.129 0.000 1.071 337 L CA 1.994 56.745 54.840 -0.148 0.000 0.751 337 L CB -1.188 40.780 42.059 -0.151 0.000 0.889 337 L HN 0.133 nan 8.230 nan 0.000 0.432 338 P HA -0.113 nan 4.420 nan 0.000 0.217 338 P C 1.484 178.765 177.300 -0.030 0.000 1.150 338 P CA 1.732 64.795 63.100 -0.061 0.000 0.832 338 P CB -0.060 31.615 31.700 -0.043 0.000 0.787 339 T N -0.199 114.353 114.554 -0.004 0.000 2.674 339 T HA -0.092 4.258 4.350 0.001 0.000 0.265 339 T C 1.726 176.417 174.700 -0.015 0.000 1.039 339 T CA 1.141 63.260 62.100 0.033 0.000 1.150 339 T CB -0.940 67.977 68.868 0.081 0.000 0.864 339 T HN 0.066 nan 8.240 nan 0.000 0.427 340 L N 0.676 121.850 121.223 -0.083 0.000 2.141 340 L HA 0.005 4.345 4.340 0.001 0.000 0.209 340 L C 3.028 179.770 176.870 -0.215 0.000 1.094 340 L CA 0.959 55.694 54.840 -0.174 0.000 0.763 340 L CB -0.685 41.212 42.059 -0.269 0.000 0.908 340 L HN 0.249 nan 8.230 nan 0.000 0.437 341 A N 0.194 122.901 122.820 -0.188 0.000 1.930 341 A HA -0.082 4.239 4.320 0.001 0.000 0.217 341 A C 2.540 180.067 177.584 -0.095 0.000 1.175 341 A CA 1.515 53.446 52.037 -0.177 0.000 0.627 341 A CB -0.491 18.419 19.000 -0.150 0.000 0.815 341 A HN 0.373 nan 8.150 nan 0.000 0.443 342 A N -0.184 122.606 122.820 -0.049 0.000 1.930 342 A HA 0.029 4.349 4.320 0.001 0.000 0.217 342 A C 2.111 179.710 177.584 0.025 0.000 1.175 342 A CA 1.360 53.398 52.037 0.001 0.000 0.627 342 A CB -0.538 18.480 19.000 0.031 0.000 0.815 342 A HN 0.461 nan 8.150 nan 0.000 0.443 343 L N -0.985 120.250 121.223 0.020 0.000 2.141 343 L HA -0.105 4.235 4.340 0.001 0.000 0.209 343 L C 2.789 179.686 176.870 0.044 0.000 1.094 343 L CA 0.961 55.838 54.840 0.062 0.000 0.763 343 L CB -0.373 41.698 42.059 0.020 0.000 0.908 343 L HN 0.409 nan 8.230 nan 0.000 0.437 344 A N -0.470 122.341 122.820 -0.015 0.000 2.208 344 A HA 0.262 4.583 4.320 0.001 0.000 0.209 344 A C 1.850 179.468 177.584 0.056 0.000 1.161 344 A CA 0.729 52.791 52.037 0.042 0.000 0.782 344 A CB -0.430 18.506 19.000 -0.107 0.000 0.816 344 A HN 0.501 nan 8.150 nan 0.000 0.477 345 G N -1.590 107.224 108.800 0.024 0.000 2.155 345 G HA2 0.006 3.967 3.960 0.001 0.000 0.257 345 G HA3 0.006 3.967 3.960 0.001 0.000 0.257 345 G C 0.457 175.360 174.900 0.005 0.000 0.983 345 G CA 0.495 45.610 45.100 0.025 0.000 0.676 345 G HN 1.618 nan 8.290 nan 0.000 0.528 346 A N 0.453 123.257 122.820 -0.027 0.000 2.450 346 A HA 0.642 4.962 4.320 0.001 0.000 0.255 346 A C -1.406 176.148 177.584 -0.051 0.000 1.096 346 A CA -0.791 51.216 52.037 -0.050 0.000 0.778 346 A CB 0.291 19.220 19.000 -0.119 0.000 1.031 346 A HN 0.187 nan 8.150 nan 0.000 0.494 347 P HA 0.182 nan 4.420 nan 0.000 0.267 347 P C -0.482 176.788 177.300 -0.051 0.000 1.209 347 P CA -0.188 62.892 63.100 -0.035 0.000 0.763 347 P CB 0.368 32.054 31.700 -0.025 0.000 0.816 348 L N 6.953 128.148 121.223 -0.047 0.000 2.397 348 L HA 0.311 4.651 4.340 0.001 0.000 0.271 348 L C -1.570 175.268 176.870 -0.053 0.000 1.148 348 L CA -1.489 53.317 54.840 -0.057 0.000 0.825 348 L CB -0.500 41.530 42.059 -0.049 0.000 1.117 348 L HN 0.380 nan 8.230 nan 0.000 0.456 349 P HA 0.021 nan 4.420 nan 0.000 0.270 349 P C 0.100 177.372 177.300 -0.047 0.000 1.223 349 P CA -0.304 62.764 63.100 -0.054 0.000 0.785 349 P CB 0.540 32.201 31.700 -0.064 0.000 0.923 350 N N 0.559 119.235 118.700 -0.039 0.000 2.244 350 N HA -0.067 4.673 4.740 0.001 0.000 0.183 350 N C 0.526 176.012 175.510 -0.040 0.000 1.016 350 N CA 0.557 53.586 53.050 -0.034 0.000 0.866 350 N CB -0.208 38.263 38.487 -0.027 0.000 0.980 350 N HN 0.352 nan 8.380 nan 0.000 0.430 351 V N 1.343 121.229 119.914 -0.046 0.000 2.928 351 V HA 0.046 4.166 4.120 0.001 0.000 0.307 351 V C 0.601 176.656 176.094 -0.063 0.000 1.105 351 V CA -0.147 62.121 62.300 -0.053 0.000 1.223 351 V CB -0.218 31.571 31.823 -0.058 0.000 0.930 351 V HN 0.344 nan 8.190 nan 0.000 0.499 352 T N 4.515 119.029 114.554 -0.066 0.000 2.751 352 T HA 0.424 4.774 4.350 0.001 0.000 0.290 352 T C -0.221 174.417 174.700 -0.102 0.000 0.919 352 T CA -0.745 61.308 62.100 -0.077 0.000 1.136 352 T CB -0.054 68.772 68.868 -0.070 0.000 0.875 352 T HN 0.552 nan 8.240 nan 0.000 0.532 353 L N 3.500 124.649 121.223 -0.122 0.000 2.350 353 L HA 0.343 4.683 4.340 0.001 0.000 0.275 353 L C 0.994 177.734 176.870 -0.217 0.000 1.099 353 L CA -0.109 54.636 54.840 -0.158 0.000 0.808 353 L CB 0.714 42.677 42.059 -0.160 0.000 1.149 353 L HN 0.735 nan 8.230 nan 0.000 0.442 354 D N 1.862 122.131 120.400 -0.218 0.000 2.336 354 D HA 0.166 4.807 4.640 0.001 0.000 0.228 354 D C 0.839 176.910 176.300 -0.382 0.000 1.120 354 D CA 0.187 54.034 54.000 -0.254 0.000 0.839 354 D CB 1.203 41.911 40.800 -0.153 0.000 0.932 354 D HN 0.719 nan 8.370 nan 0.000 0.509 355 G N -0.149 108.378 108.800 -0.456 0.000 2.932 355 G HA2 0.617 4.577 3.960 0.001 0.000 0.283 355 G HA3 0.617 4.577 3.960 0.001 0.000 0.283 355 G C -1.025 173.414 174.900 -0.769 0.000 1.336 355 G CA -0.491 44.316 45.100 -0.489 0.000 1.056 355 G HN -0.042 nan 8.290 nan 0.000 0.522 356 F N -1.617 118.328 119.950 -0.007 0.000 2.650 356 F HA 0.405 4.932 4.527 0.001 0.000 0.320 356 F C -0.721 175.089 175.800 0.016 0.000 1.091 356 F CA -0.931 57.073 58.000 0.007 0.000 0.962 356 F CB 2.171 41.182 39.000 0.018 0.000 1.363 356 F HN 0.326 nan 8.300 nan 0.000 0.482 357 D N 1.239 121.785 120.400 0.243 0.000 2.380 357 D HA 0.280 4.920 4.640 0.001 0.000 0.230 357 D C 0.161 176.557 176.300 0.161 0.000 1.154 357 D CA 0.035 54.125 54.000 0.150 0.000 0.859 357 D CB 0.766 41.632 40.800 0.110 0.000 1.045 357 D HN 0.316 nan 8.370 nan 0.000 0.495 358 L N 2.990 124.316 121.223 0.171 0.000 2.612 358 L HA 0.023 4.364 4.340 0.001 0.000 0.230 358 L C 2.288 179.271 176.870 0.188 0.000 1.140 358 L CA 0.394 55.351 54.840 0.195 0.000 0.896 358 L CB -0.816 41.399 42.059 0.261 0.000 1.065 358 L HN 0.459 nan 8.230 nan 0.000 0.447 359 S N -0.399 115.397 115.700 0.160 0.000 2.374 359 S HA -0.114 4.356 4.470 0.001 0.000 0.227 359 S C -0.367 174.316 174.600 0.138 0.000 1.037 359 S CA 0.956 59.254 58.200 0.165 0.000 1.024 359 S CB -1.582 61.706 63.200 0.147 0.000 0.861 359 S HN 0.264 nan 8.310 nan 0.000 0.456 360 P HA -0.050 nan 4.420 nan 0.000 0.215 360 P C 1.803 179.144 177.300 0.069 0.000 1.153 360 P CA 0.702 63.846 63.100 0.073 0.000 0.853 360 P CB -0.153 31.581 31.700 0.056 0.000 0.788 361 L N -0.951 120.324 121.223 0.087 0.000 2.017 361 L HA -0.154 4.187 4.340 0.001 0.000 0.208 361 L C 2.163 179.079 176.870 0.077 0.000 1.073 361 L CA 1.854 56.736 54.840 0.069 0.000 0.745 361 L CB -1.340 40.779 42.059 0.100 0.000 0.894 361 L HN -0.122 nan 8.230 nan 0.000 0.432 362 L N -1.167 120.145 121.223 0.149 0.000 2.027 362 L HA -0.207 4.133 4.340 0.001 0.000 0.206 362 L C 2.358 179.304 176.870 0.127 0.000 1.074 362 L CA 1.199 56.150 54.840 0.184 0.000 0.745 362 L CB -0.564 41.666 42.059 0.286 0.000 0.898 362 L HN 0.277 nan 8.230 nan 0.000 0.433 363 L N -0.176 121.111 121.223 0.106 0.000 2.552 363 L HA 0.078 4.418 4.340 0.001 0.000 0.227 363 L C 1.376 178.247 176.870 0.002 0.000 1.146 363 L CA 0.515 55.380 54.840 0.042 0.000 0.858 363 L CB -0.712 41.375 42.059 0.047 0.000 0.969 363 L HN 0.549 nan 8.230 nan 0.000 0.451 364 G N 0.799 109.606 108.800 0.012 0.000 2.198 364 G HA2 -0.330 3.630 3.960 0.001 0.000 0.260 364 G HA3 -0.330 3.630 3.960 0.001 0.000 0.260 364 G C 0.758 175.652 174.900 -0.010 0.000 1.025 364 G CA 0.692 45.786 45.100 -0.009 0.000 0.769 364 G HN 0.441 nan 8.290 nan 0.000 0.507 365 T N -3.011 111.545 114.554 0.003 0.000 3.069 365 T HA 0.592 4.942 4.350 0.001 0.000 0.252 365 T C 1.176 175.880 174.700 0.006 0.000 1.053 365 T CA 0.850 62.951 62.100 0.002 0.000 0.964 365 T CB 1.285 70.157 68.868 0.008 0.000 1.005 365 T HN 1.906 nan 8.240 nan 0.000 0.532 366 G N 0.276 109.082 108.800 0.009 0.000 2.340 366 G HA2 0.455 4.416 3.960 0.001 0.000 0.299 366 G HA3 0.455 4.416 3.960 0.001 0.000 0.299 366 G C -1.915 172.991 174.900 0.009 0.000 1.291 366 G CA -1.099 44.005 45.100 0.008 0.000 0.841 366 G HN 0.228 nan 8.290 nan 0.000 0.500 367 K N -0.277 120.127 120.400 0.006 0.000 2.210 367 K HA 0.672 4.992 4.320 0.001 0.000 0.236 367 K C 0.103 176.708 176.600 0.009 0.000 1.016 367 K CA -0.487 55.803 56.287 0.005 0.000 0.913 367 K CB 1.688 34.186 32.500 -0.004 0.000 1.141 367 K HN 0.431 nan 8.250 nan 0.000 0.462 368 S N 0.785 116.493 115.700 0.014 0.000 2.565 368 S HA 0.168 4.639 4.470 0.001 0.000 0.276 368 S C -1.847 172.709 174.600 -0.074 0.000 1.326 368 S CA -1.362 56.847 58.200 0.014 0.000 1.045 368 S CB 0.517 63.756 63.200 0.065 0.000 0.918 368 S HN 0.292 nan 8.310 nan 0.000 0.505 369 P HA 0.122 nan 4.420 nan 0.000 0.233 369 P C -0.117 176.789 177.300 -0.657 0.000 1.167 369 P CA 0.256 63.122 63.100 -0.390 0.000 0.770 369 P CB 0.185 31.622 31.700 -0.438 0.000 0.837 370 R N 1.254 121.505 120.500 -0.415 0.000 2.404 370 R HA 0.011 4.352 4.340 0.001 0.000 0.315 370 R C 1.244 177.442 176.300 -0.171 0.000 1.032 370 R CA 0.601 56.538 56.100 -0.271 0.000 0.992 370 R CB 0.203 30.500 30.300 -0.006 0.000 0.959 370 R HN 0.418 nan 8.270 nan 0.000 0.428 371 Q N 0.413 120.112 119.800 -0.169 0.000 2.245 371 Q HA 0.246 4.586 4.340 0.001 0.000 0.250 371 Q C -0.290 175.654 176.000 -0.095 0.000 0.830 371 Q CA -0.189 55.553 55.803 -0.102 0.000 0.950 371 Q CB 0.893 29.575 28.738 -0.094 0.000 1.124 371 Q HN 0.232 nan 8.270 nan 0.000 0.502 372 S N 0.454 116.087 115.700 -0.113 0.000 2.549 372 S HA 0.694 5.164 4.470 0.001 0.000 0.280 372 S C -1.224 173.158 174.600 -0.362 0.000 1.109 372 S CA -0.717 57.334 58.200 -0.248 0.000 0.905 372 S CB 1.812 64.865 63.200 -0.245 0.000 1.081 372 S HN 0.263 nan 8.310 nan 0.000 0.477 373 L N 2.010 122.847 121.223 -0.644 0.000 2.401 373 L HA 0.677 5.018 4.340 0.001 0.000 0.266 373 L C -1.679 174.511 176.870 -1.133 0.000 0.991 373 L CA -0.606 53.787 54.840 -0.744 0.000 0.818 373 L CB 1.570 43.184 42.059 -0.742 0.000 1.321 373 L HN 0.572 nan 8.230 nan 0.000 0.413 374 F N 1.520 121.089 119.950 -0.637 0.000 2.520 374 F HA 0.616 5.143 4.527 0.001 0.000 0.322 374 F C -0.560 174.797 175.800 -0.738 0.000 1.103 374 F CA -0.513 57.165 58.000 -0.537 0.000 0.926 374 F CB 1.728 40.559 39.000 -0.283 0.000 1.154 374 F HN 0.059 nan 8.300 nan 0.000 0.453 375 F N 1.941 121.915 119.950 0.039 0.000 2.520 375 F HA 0.560 5.088 4.527 0.001 0.000 0.322 375 F C -0.914 174.841 175.800 -0.075 0.000 1.103 375 F CA -1.284 56.734 58.000 0.030 0.000 0.926 375 F CB 1.362 40.389 39.000 0.045 0.000 1.154 375 F HN 0.283 nan 8.300 nan 0.000 0.453 376 Y N 2.993 123.409 120.300 0.194 0.000 2.468 376 Y HA 0.521 5.071 4.550 0.001 0.000 0.342 376 Y C -2.122 173.718 175.900 -0.099 0.000 1.021 376 Y CA -2.182 55.922 58.100 0.007 0.000 1.079 376 Y CB 1.722 40.136 38.460 -0.077 0.000 1.226 376 Y HN 0.332 nan 8.280 nan 0.000 0.460 377 P HA 0.139 nan 4.420 nan 0.000 0.277 377 P C 0.034 177.277 177.300 -0.095 0.000 1.271 377 P CA -0.163 62.763 63.100 -0.289 0.000 0.795 377 P CB 1.330 32.496 31.700 -0.890 0.000 1.101 378 S N -0.966 114.741 115.700 0.011 0.000 2.359 378 S HA -0.127 4.344 4.470 0.001 0.000 0.224 378 S C 0.354 174.959 174.600 0.008 0.000 1.035 378 S CA 1.594 59.839 58.200 0.076 0.000 1.018 378 S CB -0.742 62.627 63.200 0.282 0.000 0.876 378 S HN 0.481 nan 8.310 nan 0.000 0.448 379 Y N 2.148 122.411 120.300 -0.062 0.000 2.712 379 Y HA 0.440 4.992 4.550 0.002 0.000 0.328 379 Y C -2.255 173.581 175.900 -0.106 0.000 0.995 379 Y CA -3.237 54.845 58.100 -0.031 0.000 1.283 379 Y CB 0.578 39.045 38.460 0.012 0.000 1.092 379 Y HN 0.154 nan 8.280 nan 0.000 0.519 380 P HA 0.369 nan 4.420 nan 0.000 0.284 380 P C -1.020 176.276 177.300 -0.006 0.000 1.292 380 P CA -0.364 62.710 63.100 -0.044 0.000 0.800 380 P CB 2.213 33.882 31.700 -0.051 0.000 1.188 381 D N -2.148 118.224 120.400 -0.046 0.000 2.663 381 D HA 0.067 4.707 4.640 0.001 0.000 0.233 381 D C 0.046 175.898 176.300 -0.747 0.000 1.240 381 D CA -0.485 53.311 54.000 -0.339 0.000 0.774 381 D CB 1.024 41.727 40.800 -0.161 0.000 1.443 381 D HN 0.269 nan 8.370 nan 0.000 0.441 382 E N -0.006 119.607 120.200 -0.978 0.000 2.338 382 E HA -0.047 4.303 4.350 0.001 0.000 0.197 382 E C 1.768 178.147 176.600 -0.369 0.000 1.007 382 E CA 0.702 56.590 56.400 -0.853 0.000 0.849 382 E CB 0.331 29.655 29.700 -0.626 0.000 0.774 382 E HN 0.286 nan 8.360 nan 0.000 0.506 383 V N 1.026 120.787 119.914 -0.255 0.000 2.302 383 V HA -0.194 3.926 4.120 0.001 0.000 0.243 383 V C 2.177 178.218 176.094 -0.087 0.000 1.036 383 V CA 1.638 63.858 62.300 -0.133 0.000 1.020 383 V CB -0.325 31.441 31.823 -0.095 0.000 0.657 383 V HN 0.164 nan 8.190 nan 0.000 0.453 384 R N -0.164 120.261 120.500 -0.124 0.000 2.062 384 R HA 0.283 4.624 4.340 0.001 0.000 0.226 384 R C 1.458 177.775 176.300 0.028 0.000 1.125 384 R CA 0.860 56.865 56.100 -0.159 0.000 0.966 384 R CB -0.418 29.574 30.300 -0.514 0.000 0.861 384 R HN 0.591 nan 8.270 nan 0.000 0.433 385 G N 0.605 109.445 108.800 0.067 0.000 2.525 385 G HA2 -0.303 3.657 3.960 0.001 0.000 0.248 385 G HA3 -0.303 3.657 3.960 0.001 0.000 0.248 385 G C -0.091 174.958 174.900 0.248 0.000 1.238 385 G CA -0.248 44.977 45.100 0.208 0.000 0.926 385 G HN 0.357 nan 8.290 nan 0.000 0.574 386 V N -1.418 118.484 119.914 -0.020 0.000 2.599 386 V HA 0.487 4.608 4.120 0.001 0.000 0.300 386 V C 1.458 177.760 176.094 0.346 0.000 1.034 386 V CA 0.598 62.774 62.300 -0.208 0.000 1.115 386 V CB 0.618 32.284 31.823 -0.262 0.000 0.934 386 V HN 0.750 nan 8.190 nan 0.000 0.485 387 F N 2.827 122.844 119.950 0.113 0.000 2.219 387 F HA 0.506 5.034 4.527 0.001 0.000 0.294 387 F C 1.416 177.429 175.800 0.354 0.000 1.086 387 F CA 0.600 58.793 58.000 0.322 0.000 1.330 387 F CB -0.221 38.925 39.000 0.243 0.000 1.047 387 F HN 0.825 nan 8.300 nan 0.000 0.495 388 A N -0.383 122.705 122.820 0.446 0.000 2.449 388 A HA 0.716 5.036 4.320 0.001 0.000 0.302 388 A C -1.477 176.321 177.584 0.356 0.000 1.048 388 A CA -0.493 51.712 52.037 0.279 0.000 0.708 388 A CB 1.589 20.568 19.000 -0.034 0.000 1.274 388 A HN -0.152 nan 8.150 nan 0.000 0.410 389 V N 1.765 121.825 119.914 0.243 0.000 2.638 389 V HA 0.640 4.760 4.120 0.001 0.000 0.306 389 V C -0.083 175.994 176.094 -0.028 0.000 1.052 389 V CA -0.632 61.699 62.300 0.050 0.000 0.885 389 V CB 1.848 33.761 31.823 0.151 0.000 0.999 389 V HN 0.984 nan 8.190 nan 0.000 0.424 390 R N 2.121 122.507 120.500 -0.189 0.000 2.637 390 R HA 0.795 5.136 4.340 0.001 0.000 0.291 390 R C -1.288 174.898 176.300 -0.189 0.000 0.963 390 R CA -0.264 55.763 56.100 -0.121 0.000 0.901 390 R CB 2.055 32.295 30.300 -0.099 0.000 1.160 390 R HN 0.769 nan 8.270 nan 0.000 0.457 391 T N 2.725 117.243 114.554 -0.061 0.000 3.050 391 T HA 0.428 4.778 4.350 0.001 0.000 0.310 391 T C 0.181 174.902 174.700 0.035 0.000 0.978 391 T CA 0.104 62.181 62.100 -0.039 0.000 1.013 391 T CB 1.493 70.356 68.868 -0.008 0.000 1.000 391 T HN 0.953 nan 8.240 nan 0.000 0.447 392 G N 4.148 112.950 108.800 0.004 0.000 2.601 392 G HA2 -0.338 3.622 3.960 0.001 0.000 0.306 392 G HA3 -0.338 3.622 3.960 0.001 0.000 0.306 392 G C 0.714 175.612 174.900 -0.003 0.000 1.172 392 G CA 0.804 45.916 45.100 0.021 0.000 0.966 392 G HN 0.890 nan 8.290 nan 0.000 0.542 393 K N -0.128 120.238 120.400 -0.058 0.000 2.358 393 K HA 0.438 4.759 4.320 0.001 0.000 0.200 393 K C -0.250 176.175 176.600 -0.293 0.000 1.030 393 K CA -0.200 55.975 56.287 -0.186 0.000 1.097 393 K CB 0.557 32.889 32.500 -0.279 0.000 0.862 393 K HN 0.445 nan 8.250 nan 0.000 0.534 394 Y N 2.189 122.504 120.300 0.025 0.000 2.341 394 Y HA 0.350 4.901 4.550 0.001 0.000 0.337 394 Y C -0.326 175.589 175.900 0.025 0.000 1.014 394 Y CA -0.850 57.269 58.100 0.031 0.000 1.111 394 Y CB 1.805 40.271 38.460 0.009 0.000 1.194 394 Y HN -0.115 nan 8.280 nan 0.000 0.462 395 K N 2.603 123.131 120.400 0.213 0.000 2.502 395 K HA 0.817 5.138 4.320 0.001 0.000 0.254 395 K C -1.331 175.344 176.600 0.124 0.000 0.947 395 K CA -0.587 55.779 56.287 0.131 0.000 0.834 395 K CB 1.019 33.589 32.500 0.117 0.000 1.112 395 K HN 0.794 nan 8.250 nan 0.000 0.427 396 A N 3.690 126.496 122.820 -0.023 0.000 2.303 396 A HA 0.400 4.721 4.320 0.001 0.000 0.317 396 A C -0.916 176.485 177.584 -0.304 0.000 1.149 396 A CA -0.514 51.403 52.037 -0.200 0.000 0.822 396 A CB 0.476 19.207 19.000 -0.447 0.000 1.131 396 A HN 0.830 nan 8.150 nan 0.000 0.493 397 H N 2.909 121.824 119.070 -0.259 0.000 2.736 397 H HA 0.248 4.805 4.556 0.001 0.000 0.271 397 H C -0.387 174.813 175.328 -0.214 0.000 1.184 397 H CA -0.069 55.909 56.048 -0.116 0.000 1.378 397 H CB 0.616 30.370 29.762 -0.014 0.000 1.428 397 H HN 0.730 nan 8.280 nan 0.000 0.500 398 F N 1.054 121.031 119.950 0.045 0.000 2.259 398 F HA 0.010 4.537 4.527 0.001 0.000 0.298 398 F C 0.359 175.844 175.800 -0.526 0.000 1.088 398 F CA 0.851 58.744 58.000 -0.178 0.000 1.358 398 F CB 0.205 39.130 39.000 -0.124 0.000 1.040 398 F HN 0.249 nan 8.300 nan 0.000 0.505 399 F N -0.761 119.196 119.950 0.012 0.000 2.574 399 F HA 0.396 4.923 4.527 0.000 0.000 0.313 399 F C 0.003 175.687 175.800 -0.192 0.000 1.130 399 F CA -1.432 56.339 58.000 -0.381 0.000 0.936 399 F CB 1.527 39.675 39.000 -1.421 0.000 1.219 399 F HN -0.376 nan 8.300 nan 0.000 0.445 400 T N 0.250 114.917 114.554 0.189 0.000 2.888 400 T HA 0.753 5.103 4.350 0.001 0.000 0.284 400 T C -0.973 173.857 174.700 0.216 0.000 1.017 400 T CA -0.719 61.516 62.100 0.225 0.000 1.022 400 T CB 2.404 71.480 68.868 0.348 0.000 1.013 400 T HN 0.705 nan 8.240 nan 0.000 0.465 401 Q N 0.492 120.422 119.800 0.218 0.000 2.391 401 Q HA 0.568 4.908 4.340 0.001 0.000 0.279 401 Q C -0.316 175.824 176.000 0.232 0.000 1.028 401 Q CA -0.894 55.056 55.803 0.244 0.000 0.836 401 Q CB 2.041 30.984 28.738 0.342 0.000 1.414 401 Q HN 1.052 nan 8.270 nan 0.000 0.397 402 G N 0.424 109.353 108.800 0.215 0.000 2.531 402 G HA2 0.606 4.567 3.960 0.001 0.000 0.281 402 G HA3 0.606 4.567 3.960 0.001 0.000 0.281 402 G C -0.926 174.088 174.900 0.191 0.000 1.382 402 G CA -0.146 45.088 45.100 0.224 0.000 1.045 402 G HN 0.423 nan 8.290 nan 0.000 0.533 403 S N -2.988 112.819 115.700 0.179 0.000 2.543 403 S HA 0.499 4.969 4.470 0.001 0.000 0.274 403 S C 0.767 175.437 174.600 0.116 0.000 1.149 403 S CA 0.447 58.749 58.200 0.170 0.000 0.866 403 S CB 1.276 64.607 63.200 0.219 0.000 1.111 403 S HN 1.328 nan 8.310 nan 0.000 0.457 404 A N 2.617 125.474 122.820 0.061 0.000 2.014 404 A HA 0.011 4.332 4.320 0.001 0.000 0.218 404 A C 1.546 179.064 177.584 -0.110 0.000 1.163 404 A CA 1.169 53.166 52.037 -0.068 0.000 0.652 404 A CB -0.831 18.078 19.000 -0.152 0.000 0.808 404 A HN 0.924 nan 8.150 nan 0.000 0.449 405 H N -0.553 118.522 119.070 0.009 0.000 2.462 405 H HA 0.034 4.590 4.556 0.001 0.000 0.292 405 H C 1.294 176.615 175.328 -0.011 0.000 1.049 405 H CA 1.375 57.420 56.048 -0.005 0.000 1.334 405 H CB 0.123 29.897 29.762 0.019 0.000 1.404 405 H HN 0.436 nan 8.280 nan 0.000 0.544 406 S N 0.536 116.318 115.700 0.136 0.000 2.634 406 S HA 0.017 4.487 4.470 0.001 0.000 0.221 406 S C 0.539 175.151 174.600 0.021 0.000 0.952 406 S CA -0.208 58.047 58.200 0.091 0.000 0.930 406 S CB 0.284 63.570 63.200 0.144 0.000 0.780 406 S HN 0.298 nan 8.310 nan 0.000 0.498 407 D N 1.753 122.109 120.400 -0.072 0.000 2.384 407 D HA 0.120 4.761 4.640 0.001 0.000 0.244 407 D C 1.144 177.277 176.300 -0.278 0.000 1.251 407 D CA 1.461 55.298 54.000 -0.272 0.000 0.961 407 D CB 0.852 41.502 40.800 -0.249 0.000 1.116 407 D HN 0.351 nan 8.370 nan 0.000 0.484 408 T N -3.788 110.506 114.554 -0.433 0.000 6.974 408 T HA -0.210 4.140 4.350 0.001 0.000 0.287 408 T C 0.572 175.213 174.700 -0.098 0.000 2.146 408 T CA 1.689 63.651 62.100 -0.230 0.000 3.451 408 T CB -2.588 66.201 68.868 -0.132 0.000 1.630 408 T HN 0.552 nan 8.240 nan 0.000 1.173 409 T N -1.266 113.272 114.554 -0.027 0.000 2.770 409 T HA 0.824 5.174 4.350 0.001 0.000 0.281 409 T C 1.729 176.570 174.700 0.235 0.000 0.981 409 T CA -0.076 62.093 62.100 0.116 0.000 0.955 409 T CB 1.230 70.168 68.868 0.117 0.000 1.060 409 T HN 0.966 nan 8.240 nan 0.000 0.531 410 A N -0.167 122.714 122.820 0.102 0.000 1.935 410 A HA 0.174 4.495 4.320 0.001 0.000 0.214 410 A C 1.060 178.626 177.584 -0.031 0.000 1.178 410 A CA 0.665 52.728 52.037 0.043 0.000 0.640 410 A CB -0.762 18.238 19.000 -0.001 0.000 0.825 410 A HN 0.888 nan 8.150 nan 0.000 0.447 411 D N 0.054 120.417 120.400 -0.061 0.000 2.325 411 D HA 0.228 4.869 4.640 0.001 0.000 0.251 411 D C -1.410 174.686 176.300 -0.339 0.000 1.196 411 D CA -2.008 51.891 54.000 -0.169 0.000 0.866 411 D CB 1.153 41.852 40.800 -0.170 0.000 1.101 411 D HN 0.085 nan 8.370 nan 0.000 0.476 412 P HA -0.103 nan 4.420 nan 0.000 0.230 412 P C 0.763 177.868 177.300 -0.324 0.000 1.158 412 P CA 0.457 63.186 63.100 -0.618 0.000 0.769 412 P CB 0.208 31.706 31.700 -0.336 0.000 0.807 413 A N -0.708 121.987 122.820 -0.209 0.000 2.168 413 A HA -0.059 4.261 4.320 0.001 0.000 0.215 413 A C 2.176 179.784 177.584 0.041 0.000 1.152 413 A CA 1.020 53.004 52.037 -0.088 0.000 0.716 413 A CB -1.366 17.515 19.000 -0.199 0.000 0.794 413 A HN 0.284 nan 8.150 nan 0.000 0.465 414 c N -1.199 117.423 118.600 0.036 0.000 2.611 414 c HA 0.177 4.748 4.570 0.001 0.000 0.282 414 c C 1.119 175.384 174.090 0.292 0.000 1.321 414 c CA -0.737 55.709 56.329 0.196 0.000 1.747 414 c CB -1.335 41.274 42.510 0.164 0.000 2.124 414 c HN 0.599 nan 8.230 nan 0.000 0.531 415 H N 0.488 119.586 119.070 0.046 0.000 2.852 415 H HA 0.170 4.726 4.556 0.000 0.000 0.362 415 H C 1.324 176.684 175.328 0.052 0.000 1.122 415 H CA 0.127 56.197 56.048 0.037 0.000 1.419 415 H CB 0.773 30.544 29.762 0.016 0.000 1.401 415 H HN 0.333 nan 8.280 nan 0.000 0.609 416 A N 2.669 125.575 122.820 0.142 0.000 2.070 416 A HA -0.171 4.150 4.320 0.001 0.000 0.220 416 A C 2.316 179.953 177.584 0.088 0.000 1.159 416 A CA 1.498 53.588 52.037 0.090 0.000 0.656 416 A CB -0.472 18.547 19.000 0.031 0.000 0.800 416 A HN 0.675 nan 8.150 nan 0.000 0.453 417 S N 0.446 116.213 115.700 0.111 0.000 2.383 417 S HA -0.069 4.401 4.470 0.001 0.000 0.229 417 S C 1.140 175.786 174.600 0.077 0.000 1.030 417 S CA 0.860 59.111 58.200 0.085 0.000 1.002 417 S CB -0.262 62.997 63.200 0.099 0.000 0.829 417 S HN 0.517 nan 8.310 nan 0.000 0.467 418 S N 3.056 118.814 115.700 0.097 0.000 2.465 418 S HA 0.219 4.689 4.470 0.001 0.000 0.307 418 S C 0.516 175.177 174.600 0.102 0.000 1.187 418 S CA -0.575 57.680 58.200 0.092 0.000 1.141 418 S CB 0.051 63.318 63.200 0.112 0.000 1.108 418 S HN 0.527 nan 8.310 nan 0.000 0.525 419 S N 3.399 119.147 115.700 0.080 0.000 2.624 419 S HA 0.376 4.846 4.470 0.001 0.000 0.263 419 S C 0.239 174.899 174.600 0.099 0.000 1.287 419 S CA -1.012 57.235 58.200 0.079 0.000 0.990 419 S CB 0.360 63.592 63.200 0.053 0.000 0.950 419 S HN 0.664 nan 8.310 nan 0.000 0.561 420 L N 2.418 123.706 121.223 0.109 0.000 2.597 420 L HA 0.235 4.575 4.340 0.001 0.000 0.271 420 L C 0.133 177.056 176.870 0.087 0.000 1.157 420 L CA 0.133 55.054 54.840 0.136 0.000 0.928 420 L CB -0.218 41.938 42.059 0.161 0.000 1.216 420 L HN 0.970 nan 8.230 nan 0.000 0.481 421 T N 2.612 117.196 114.554 0.049 0.000 2.841 421 T HA 0.779 5.130 4.350 0.001 0.000 0.283 421 T C -0.084 174.443 174.700 -0.288 0.000 1.000 421 T CA -0.544 61.500 62.100 -0.093 0.000 0.977 421 T CB 1.743 70.528 68.868 -0.139 0.000 0.979 421 T HN 0.727 nan 8.240 nan 0.000 0.446 422 A N 2.506 125.131 122.820 -0.325 0.000 2.286 422 A HA 0.641 4.962 4.320 0.001 0.000 0.286 422 A C -0.275 176.812 177.584 -0.828 0.000 1.097 422 A CA -0.677 51.012 52.037 -0.580 0.000 0.821 422 A CB 0.304 19.122 19.000 -0.304 0.000 1.076 422 A HN 0.979 nan 8.150 nan 0.000 0.490 423 H N 1.295 120.134 119.070 -0.384 0.000 3.013 423 H HA 0.411 4.967 4.556 0.001 0.000 0.326 423 H C -1.312 173.899 175.328 -0.195 0.000 0.973 423 H CA -0.440 55.469 56.048 -0.232 0.000 1.369 423 H CB 1.567 31.205 29.762 -0.207 0.000 1.598 423 H HN 0.643 nan 8.280 nan 0.000 0.518 424 E N 3.785 123.969 120.200 -0.028 0.000 2.343 424 E HA 0.233 4.584 4.350 0.001 0.000 0.260 424 E C -2.112 174.476 176.600 -0.021 0.000 0.908 424 E CA -1.473 54.912 56.400 -0.024 0.000 0.814 424 E CB 2.640 32.325 29.700 -0.026 0.000 1.302 424 E HN 0.520 nan 8.360 nan 0.000 0.408 425 P HA 0.347 nan 4.420 nan 0.000 0.274 425 P C -2.570 174.670 177.300 -0.101 0.000 1.237 425 P CA -1.198 61.870 63.100 -0.053 0.000 0.793 425 P CB 0.233 31.894 31.700 -0.065 0.000 0.977 426 P HA 0.097 nan 4.420 nan 0.000 0.270 426 P C -0.203 176.911 177.300 -0.311 0.000 1.223 426 P CA -0.098 62.796 63.100 -0.343 0.000 0.785 426 P CB 0.675 31.859 31.700 -0.860 0.000 0.923 427 L N 1.942 122.963 121.223 -0.337 0.000 2.456 427 L HA 0.134 4.475 4.340 0.001 0.000 0.277 427 L C 0.775 177.429 176.870 -0.360 0.000 1.124 427 L CA -0.474 54.129 54.840 -0.395 0.000 0.880 427 L CB -0.398 41.410 42.059 -0.418 0.000 1.192 427 L HN 0.276 nan 8.230 nan 0.000 0.463 428 L N 5.432 126.418 121.223 -0.395 0.000 2.275 428 L HA 0.434 4.774 4.340 0.001 0.000 0.288 428 L C -0.892 175.805 176.870 -0.288 0.000 1.046 428 L CA 0.051 54.756 54.840 -0.225 0.000 0.805 428 L CB 0.593 42.569 42.059 -0.139 0.000 1.193 428 L HN 0.219 nan 8.230 nan 0.000 0.426 429 Y N 2.815 123.190 120.300 0.124 0.000 2.376 429 Y HA 0.343 4.893 4.550 0.000 0.000 0.340 429 Y C -0.075 175.888 175.900 0.105 0.000 0.965 429 Y CA -0.839 57.327 58.100 0.111 0.000 1.078 429 Y CB 1.622 40.138 38.460 0.092 0.000 1.193 429 Y HN 0.498 nan 8.280 nan 0.000 0.452 430 D N 4.203 124.718 120.400 0.192 0.000 2.456 430 D HA 0.165 4.806 4.640 0.001 0.000 0.219 430 D C 0.706 176.990 176.300 -0.025 0.000 1.126 430 D CA 0.159 54.113 54.000 -0.077 0.000 0.890 430 D CB 0.767 41.509 40.800 -0.097 0.000 1.025 430 D HN 0.712 nan 8.370 nan 0.000 0.511 431 L N 2.496 123.698 121.223 -0.034 0.000 2.265 431 L HA -0.190 4.150 4.340 0.001 0.000 0.215 431 L C 2.520 179.367 176.870 -0.040 0.000 1.117 431 L CA 0.882 55.718 54.840 -0.008 0.000 0.782 431 L CB -0.396 41.678 42.059 0.025 0.000 0.914 431 L HN 0.352 nan 8.230 nan 0.000 0.441 432 S N 0.790 116.436 115.700 -0.089 0.000 2.402 432 S HA -0.201 4.269 4.470 0.001 0.000 0.229 432 S C 1.762 176.328 174.600 -0.058 0.000 1.021 432 S CA 1.264 59.413 58.200 -0.085 0.000 0.974 432 S CB -0.164 62.969 63.200 -0.112 0.000 0.800 432 S HN 0.668 nan 8.310 nan 0.000 0.484 433 K N -0.322 120.056 120.400 -0.036 0.000 2.412 433 K HA 0.310 4.630 4.320 0.001 0.000 0.202 433 K C -0.250 176.375 176.600 0.042 0.000 1.102 433 K CA 0.328 56.614 56.287 -0.001 0.000 1.027 433 K CB 0.293 32.794 32.500 0.002 0.000 0.931 433 K HN 0.241 nan 8.250 nan 0.000 0.557 434 D N 1.860 122.289 120.400 0.048 0.000 2.735 434 D HA 0.181 4.822 4.640 0.001 0.000 0.291 434 D C -1.964 174.343 176.300 0.011 0.000 1.205 434 D CA -2.072 51.975 54.000 0.079 0.000 0.777 434 D CB 1.406 42.318 40.800 0.185 0.000 1.234 434 D HN -0.074 nan 8.370 nan 0.000 0.520 435 P HA 0.048 nan 4.420 nan 0.000 0.233 435 P C 1.301 178.532 177.300 -0.115 0.000 1.167 435 P CA 0.410 63.474 63.100 -0.060 0.000 0.770 435 P CB 0.351 32.013 31.700 -0.063 0.000 0.837 436 G N 0.105 108.831 108.800 -0.123 0.000 2.813 436 G HA2 -0.084 3.877 3.960 0.001 0.000 0.209 436 G HA3 -0.084 3.877 3.960 0.001 0.000 0.209 436 G C 0.269 174.988 174.900 -0.302 0.000 1.150 436 G CA -0.168 44.821 45.100 -0.184 0.000 0.785 436 G HN 0.251 nan 8.290 nan 0.000 0.535 437 E N -1.051 118.935 120.200 -0.357 0.000 2.246 437 E HA -0.204 4.146 4.350 0.001 0.000 0.211 437 E C 0.347 176.633 176.600 -0.522 0.000 1.278 437 E CA 0.402 56.352 56.400 -0.750 0.000 0.694 437 E CB -1.399 27.701 29.700 -1.001 0.000 1.166 437 E HN 0.595 nan 8.360 nan 0.000 0.370 438 N N -0.830 117.652 118.700 -0.364 0.000 2.397 438 N HA 0.070 4.810 4.740 0.001 0.000 0.190 438 N C -0.635 174.540 175.510 -0.558 0.000 1.099 438 N CA 0.378 53.075 53.050 -0.588 0.000 0.876 438 N CB 0.561 38.413 38.487 -1.059 0.000 1.143 438 N HN 0.150 nan 8.380 nan 0.000 0.468 439 Y N 0.749 121.179 120.300 0.217 0.000 2.388 439 Y HA 0.374 4.924 4.550 0.000 0.000 0.328 439 Y C -0.339 175.559 175.900 -0.003 0.000 0.963 439 Y CA -1.769 56.391 58.100 0.100 0.000 1.240 439 Y CB 0.183 38.674 38.460 0.052 0.000 1.118 439 Y HN -0.090 nan 8.280 nan 0.000 0.484 440 N N 3.206 121.863 118.700 -0.072 0.000 2.475 440 N HA 0.114 4.855 4.740 0.001 0.000 0.267 440 N C 0.585 175.997 175.510 -0.164 0.000 1.169 440 N CA 0.256 53.080 53.050 -0.377 0.000 0.947 440 N CB 0.837 39.096 38.487 -0.379 0.000 1.061 440 N HN 0.746 nan 8.380 nan 0.000 0.466 441 L N 2.643 123.769 121.223 -0.161 0.000 2.027 441 L HA -0.115 4.226 4.340 0.001 0.000 0.206 441 L C 1.539 178.358 176.870 -0.085 0.000 1.074 441 L CA 0.673 55.475 54.840 -0.065 0.000 0.745 441 L CB -0.340 41.714 42.059 -0.008 0.000 0.898 441 L HN 0.488 nan 8.230 nan 0.000 0.433 442 L N 0.446 121.592 121.223 -0.127 0.000 2.456 442 L HA -0.016 4.324 4.340 0.001 0.000 0.224 442 L C 1.651 178.464 176.870 -0.095 0.000 1.148 442 L CA 0.702 55.475 54.840 -0.111 0.000 0.825 442 L CB -1.374 40.606 42.059 -0.132 0.000 0.937 442 L HN 0.123 nan 8.230 nan 0.000 0.450 443 G N -0.213 108.526 108.800 -0.102 0.000 2.789 443 G HA2 0.432 4.393 3.960 0.001 0.000 0.281 443 G HA3 0.432 4.393 3.960 0.001 0.000 0.281 443 G C 0.436 175.308 174.900 -0.047 0.000 0.708 443 G CA 0.647 45.703 45.100 -0.074 0.000 2.067 443 G HN 0.450 nan 8.290 nan 0.000 0.554 449 T N 3.342 117.879 114.554 -0.028 0.000 2.871 449 T HA 0.303 4.654 4.350 0.001 0.000 0.296 449 T C -1.852 172.827 174.700 -0.035 0.000 0.998 449 T CA 0.495 62.583 62.100 -0.020 0.000 1.162 449 T CB 0.830 69.697 68.868 -0.001 0.000 0.947 449 T HN 0.265 nan 8.240 nan 0.000 0.536 450 P HA -0.156 nan 4.420 nan 0.000 0.217 450 P C 1.428 178.700 177.300 -0.047 0.000 1.148 450 P CA 0.900 63.980 63.100 -0.034 0.000 0.834 450 P CB 0.252 31.940 31.700 -0.019 0.000 0.783 451 E N -0.545 119.633 120.200 -0.036 0.000 2.047 451 E HA -0.133 4.218 4.350 0.001 0.000 0.191 451 E C 1.820 178.321 176.600 -0.165 0.000 0.987 451 E CA 1.080 57.455 56.400 -0.043 0.000 0.799 451 E CB -0.369 29.353 29.700 0.036 0.000 0.752 451 E HN -0.056 nan 8.360 nan 0.000 0.449 452 V N 1.301 121.110 119.914 -0.175 0.000 2.261 452 V HA -0.255 3.865 4.120 0.001 0.000 0.246 452 V C 2.496 178.426 176.094 -0.274 0.000 1.047 452 V CA 1.601 63.707 62.300 -0.324 0.000 1.015 452 V CB -0.505 31.228 31.823 -0.149 0.000 0.642 452 V HN 0.343 nan 8.190 nan 0.000 0.446 453 L N -0.133 120.996 121.223 -0.155 0.000 2.079 453 L HA -0.225 4.115 4.340 0.001 0.000 0.210 453 L C 2.466 179.269 176.870 -0.113 0.000 1.081 453 L CA 2.159 56.929 54.840 -0.115 0.000 0.752 453 L CB -0.681 41.334 42.059 -0.073 0.000 0.896 453 L HN 0.413 nan 8.230 nan 0.000 0.433 454 Q N -1.426 118.303 119.800 -0.118 0.000 2.172 454 Q HA -0.124 4.216 4.340 0.001 0.000 0.200 454 Q C 2.069 177.998 176.000 -0.118 0.000 0.964 454 Q CA 1.183 56.932 55.803 -0.091 0.000 0.855 454 Q CB -0.035 28.663 28.738 -0.066 0.000 0.918 454 Q HN 0.629 nan 8.270 nan 0.000 0.444 455 A N 0.606 123.291 122.820 -0.226 0.000 1.929 455 A HA -0.120 4.200 4.320 0.001 0.000 0.216 455 A C 1.933 179.410 177.584 -0.179 0.000 1.176 455 A CA 0.931 52.804 52.037 -0.273 0.000 0.628 455 A CB -0.612 17.960 19.000 -0.713 0.000 0.816 455 A HN 0.469 nan 8.150 nan 0.000 0.444 456 L N 0.202 121.314 121.223 -0.185 0.000 2.012 456 L HA -0.193 4.148 4.340 0.001 0.000 0.210 456 L C 2.167 179.022 176.870 -0.026 0.000 1.073 456 L CA 2.433 57.210 54.840 -0.106 0.000 0.748 456 L CB -0.530 41.465 42.059 -0.107 0.000 0.891 456 L HN 0.345 nan 8.230 nan 0.000 0.431 457 K N -0.882 119.500 120.400 -0.030 0.000 2.097 457 K HA -0.243 4.078 4.320 0.001 0.000 0.206 457 K C 2.160 178.776 176.600 0.028 0.000 1.049 457 K CA 1.790 58.080 56.287 0.005 0.000 0.933 457 K CB -0.257 32.238 32.500 -0.009 0.000 0.717 457 K HN 0.574 nan 8.250 nan 0.000 0.442 458 Q N 1.154 120.961 119.800 0.013 0.000 2.079 458 Q HA -0.122 4.219 4.340 0.001 0.000 0.200 458 Q C 2.084 178.128 176.000 0.075 0.000 0.974 458 Q CA 1.076 56.900 55.803 0.034 0.000 0.840 458 Q CB 0.024 28.772 28.738 0.016 0.000 0.898 458 Q HN 0.279 nan 8.270 nan 0.000 0.430 459 L N 0.334 121.608 121.223 0.084 0.000 2.046 459 L HA -0.208 4.133 4.340 0.001 0.000 0.208 459 L C 2.612 179.666 176.870 0.307 0.000 1.077 459 L CA 1.350 56.291 54.840 0.169 0.000 0.747 459 L CB -0.389 41.747 42.059 0.129 0.000 0.896 459 L HN 0.339 nan 8.230 nan 0.000 0.432 460 Q N -0.574 119.392 119.800 0.278 0.000 2.167 460 Q HA -0.208 4.132 4.340 0.001 0.000 0.202 460 Q C 2.181 178.244 176.000 0.104 0.000 0.970 460 Q CA 1.107 57.075 55.803 0.275 0.000 0.855 460 Q CB -0.060 28.806 28.738 0.213 0.000 0.911 460 Q HN 0.335 nan 8.270 nan 0.000 0.438 461 L N 0.300 121.579 121.223 0.092 0.000 2.095 461 L HA -0.081 4.260 4.340 0.001 0.000 0.204 461 L C 1.879 178.793 176.870 0.073 0.000 1.080 461 L CA 1.347 56.223 54.840 0.059 0.000 0.759 461 L CB -0.319 41.771 42.059 0.052 0.000 0.914 461 L HN 0.174 nan 8.230 nan 0.000 0.439 462 L N -0.291 121.010 121.223 0.130 0.000 2.042 462 L HA -0.272 4.069 4.340 0.001 0.000 0.210 462 L C 2.644 179.649 176.870 0.225 0.000 1.076 462 L CA 1.851 56.827 54.840 0.226 0.000 0.749 462 L CB -0.612 41.626 42.059 0.298 0.000 0.893 462 L HN 0.361 nan 8.230 nan 0.000 0.432 463 K N 0.420 120.900 120.400 0.134 0.000 1.985 463 K HA -0.212 4.109 4.320 0.001 0.000 0.210 463 K C 2.165 178.705 176.600 -0.100 0.000 1.047 463 K CA 1.538 57.800 56.287 -0.042 0.000 0.932 463 K CB -0.200 32.023 32.500 -0.462 0.000 0.716 463 K HN 0.220 nan 8.250 nan 0.000 0.439 464 A N 1.213 123.975 122.820 -0.097 0.000 1.917 464 A HA -0.259 4.062 4.320 0.001 0.000 0.219 464 A C 2.084 179.639 177.584 -0.049 0.000 1.182 464 A CA 1.910 53.906 52.037 -0.070 0.000 0.633 464 A CB -0.684 18.290 19.000 -0.044 0.000 0.819 464 A HN 0.575 nan 8.150 nan 0.000 0.448 465 Q N -1.444 118.337 119.800 -0.033 0.000 2.119 465 Q HA -0.112 4.229 4.340 0.001 0.000 0.201 465 Q C 2.094 178.045 176.000 -0.082 0.000 0.972 465 Q CA 1.364 57.145 55.803 -0.036 0.000 0.847 465 Q CB -0.237 28.497 28.738 -0.007 0.000 0.903 465 Q HN 0.612 nan 8.270 nan 0.000 0.433 466 L N 0.959 122.092 121.223 -0.150 0.000 2.068 466 L HA -0.137 4.204 4.340 0.001 0.000 0.204 466 L C 1.564 178.365 176.870 -0.115 0.000 1.076 466 L CA 1.707 56.398 54.840 -0.249 0.000 0.753 466 L CB -0.296 41.411 42.059 -0.586 0.000 0.910 466 L HN 0.068 nan 8.230 nan 0.000 0.439 467 D N 0.003 120.358 120.400 -0.075 0.000 2.133 467 D HA -0.231 4.409 4.640 0.001 0.000 0.195 467 D C 2.106 178.404 176.300 -0.003 0.000 0.997 467 D CA 1.613 55.611 54.000 -0.003 0.000 0.840 467 D CB -0.123 40.663 40.800 -0.024 0.000 0.947 467 D HN 0.515 nan 8.370 nan 0.000 0.452 468 A N 0.837 123.641 122.820 -0.026 0.000 1.897 468 A HA 0.071 4.392 4.320 0.001 0.000 0.215 468 A C 2.295 179.869 177.584 -0.016 0.000 1.181 468 A CA 1.981 54.005 52.037 -0.021 0.000 0.620 468 A CB -0.533 18.453 19.000 -0.024 0.000 0.821 468 A HN 0.243 nan 8.150 nan 0.000 0.443 469 A N -0.394 122.409 122.820 -0.029 0.000 1.840 469 A HA 0.234 4.554 4.320 0.001 0.000 0.214 469 A C 1.133 178.708 177.584 -0.015 0.000 1.198 469 A CA 1.007 53.026 52.037 -0.030 0.000 0.608 469 A CB -1.013 17.955 19.000 -0.054 0.000 0.839 469 A HN 0.365 nan 8.150 nan 0.000 0.443 470 V N 1.253 121.161 119.914 -0.010 0.000 2.529 470 V HA 0.287 4.407 4.120 0.001 0.000 0.292 470 V C 0.533 176.685 176.094 0.097 0.000 1.028 470 V CA 0.625 62.939 62.300 0.022 0.000 1.074 470 V CB 0.622 32.467 31.823 0.037 0.000 0.958 470 V HN 0.453 nan 8.190 nan 0.000 0.481 471 T N 6.336 120.940 114.554 0.083 0.000 2.779 471 T HA 0.519 4.870 4.350 0.001 0.000 0.280 471 T C -0.486 174.336 174.700 0.203 0.000 0.987 471 T CA -0.550 61.633 62.100 0.139 0.000 0.966 471 T CB 0.095 69.002 68.868 0.066 0.000 0.933 471 T HN 0.253 nan 8.240 nan 0.000 0.442 472 F N 3.647 123.564 119.950 -0.055 0.000 2.571 472 F HA 0.388 4.915 4.527 0.001 0.000 0.384 472 F C 1.526 177.356 175.800 0.050 0.000 1.058 472 F CA -0.285 57.699 58.000 -0.027 0.000 1.200 472 F CB 0.099 39.068 39.000 -0.052 0.000 1.077 472 F HN 0.654 nan 8.300 nan 0.000 0.558 473 G N 4.414 113.298 108.800 0.139 0.000 2.503 473 G HA2 0.387 4.347 3.960 0.001 0.000 0.257 473 G HA3 0.387 4.347 3.960 0.001 0.000 0.257 473 G C -2.742 172.195 174.900 0.062 0.000 1.214 473 G CA -1.542 43.595 45.100 0.063 0.000 0.839 473 G HN 0.350 nan 8.290 nan 0.000 0.559 474 P HA 0.013 nan 4.420 nan 0.000 0.256 474 P C 0.299 177.457 177.300 -0.237 0.000 1.173 474 P CA 0.247 63.307 63.100 -0.066 0.000 0.768 474 P CB 0.664 32.332 31.700 -0.053 0.000 0.758 475 S N 3.586 119.066 115.700 -0.365 0.000 2.571 475 S HA -0.064 4.407 4.470 0.001 0.000 0.297 475 S C 1.391 175.753 174.600 -0.396 0.000 1.234 475 S CA -0.158 57.632 58.200 -0.682 0.000 1.120 475 S CB -0.179 62.680 63.200 -0.569 0.000 0.923 475 S HN 0.291 nan 8.310 nan 0.000 0.504 476 Q N 3.779 123.338 119.800 -0.402 0.000 2.119 476 Q HA -0.064 4.277 4.340 0.001 0.000 0.201 476 Q C 2.147 178.013 176.000 -0.224 0.000 0.972 476 Q CA 1.209 56.846 55.803 -0.275 0.000 0.847 476 Q CB -0.385 28.175 28.738 -0.296 0.000 0.903 476 Q HN 0.752 nan 8.270 nan 0.000 0.433 477 V N 0.920 120.685 119.914 -0.248 0.000 2.913 477 V HA -0.107 4.013 4.120 0.001 0.000 0.260 477 V C 2.012 178.035 176.094 -0.117 0.000 1.098 477 V CA 1.355 63.554 62.300 -0.168 0.000 1.121 477 V CB -0.815 30.904 31.823 -0.174 0.000 0.714 477 V HN 0.231 nan 8.190 nan 0.000 0.487 478 A N -0.210 122.530 122.820 -0.134 0.000 2.218 478 A HA 0.045 4.366 4.320 0.001 0.000 0.209 478 A C 2.235 179.786 177.584 -0.055 0.000 1.168 478 A CA 0.210 52.202 52.037 -0.076 0.000 0.804 478 A CB -0.350 18.605 19.000 -0.075 0.000 0.834 478 A HN 0.454 nan 8.150 nan 0.000 0.482 479 R N -0.480 119.979 120.500 -0.067 0.000 2.237 479 R HA 0.187 4.527 4.340 0.001 0.000 0.219 479 R C 1.013 177.304 176.300 -0.015 0.000 1.080 479 R CA 0.578 56.655 56.100 -0.038 0.000 0.995 479 R CB -0.225 30.052 30.300 -0.040 0.000 0.875 479 R HN 0.646 nan 8.270 nan 0.000 0.462 480 G N 0.808 109.597 108.800 -0.017 0.000 2.603 480 G HA2 -0.185 3.776 3.960 0.001 0.000 0.686 480 G HA3 -0.185 3.776 3.960 0.001 0.000 0.686 480 G C -1.326 173.576 174.900 0.004 0.000 1.286 480 G CA -0.914 44.185 45.100 -0.002 0.000 0.871 480 G HN 0.197 nan 8.290 nan 0.000 0.568 481 E N -0.114 120.091 120.200 0.008 0.000 2.187 481 E HA 0.507 4.857 4.350 0.001 0.000 0.268 481 E C -1.349 175.262 176.600 0.018 0.000 0.896 481 E CA -0.700 55.707 56.400 0.012 0.000 0.766 481 E CB 2.248 31.951 29.700 0.005 0.000 1.142 481 E HN 0.433 nan 8.360 nan 0.000 0.408 482 D N 3.546 123.962 120.400 0.026 0.000 2.469 482 D HA 0.248 4.888 4.640 0.001 0.000 0.251 482 D C -2.105 174.213 176.300 0.030 0.000 1.173 482 D CA -2.316 51.701 54.000 0.028 0.000 0.882 482 D CB 1.666 42.488 40.800 0.036 0.000 1.129 482 D HN 0.048 nan 8.370 nan 0.000 0.549 483 P HA -0.095 nan 4.420 nan 0.000 0.221 483 P C 0.896 178.214 177.300 0.030 0.000 1.145 483 P CA 0.802 63.915 63.100 0.022 0.000 0.795 483 P CB 0.265 31.976 31.700 0.018 0.000 0.775 484 A N -0.972 121.867 122.820 0.032 0.000 2.225 484 A HA -0.091 4.230 4.320 0.001 0.000 0.215 484 A C 1.798 179.408 177.584 0.044 0.000 1.164 484 A CA 0.991 53.049 52.037 0.034 0.000 0.710 484 A CB -1.328 17.690 19.000 0.030 0.000 0.780 484 A HN 0.201 nan 8.150 nan 0.000 0.473 485 L N -0.700 120.554 121.223 0.053 0.000 2.592 485 L HA 0.045 4.385 4.340 0.001 0.000 0.227 485 L C 0.483 177.405 176.870 0.087 0.000 1.127 485 L CA -0.146 54.737 54.840 0.072 0.000 0.884 485 L CB -0.221 41.891 42.059 0.087 0.000 1.065 485 L HN 0.411 nan 8.230 nan 0.000 0.457 486 Q N 1.505 121.348 119.800 0.072 0.000 2.271 486 Q HA 0.172 4.513 4.340 0.001 0.000 0.273 486 Q C -0.082 175.966 176.000 0.081 0.000 1.051 486 Q CA -0.032 55.822 55.803 0.085 0.000 0.901 486 Q CB 1.049 29.820 28.738 0.056 0.000 1.174 486 Q HN 0.302 nan 8.270 nan 0.000 0.385 487 I N 2.634 123.267 120.570 0.105 0.000 2.769 487 I HA -0.132 4.039 4.170 0.001 0.000 0.285 487 I C 0.194 176.329 176.117 0.031 0.000 1.173 487 I CA 0.100 61.439 61.300 0.065 0.000 1.389 487 I CB -0.004 38.029 38.000 0.055 0.000 1.404 487 I HN 0.603 nan 8.210 nan 0.000 0.544 488 c N 6.912 125.525 118.600 0.021 0.000 2.382 488 c HA 0.267 4.838 4.570 0.001 0.000 0.327 488 c C 1.710 175.795 174.090 -0.007 0.000 1.250 488 c CA -0.665 55.664 56.329 -0.001 0.000 1.707 488 c CB 0.888 43.411 42.510 0.022 0.000 2.272 488 c HN 1.099 nan 8.230 nan 0.000 0.506 489 c N 2.742 121.302 118.600 -0.067 0.000 2.446 489 c HA 0.030 4.601 4.570 0.001 0.000 0.277 489 c C 1.119 175.267 174.090 0.096 0.000 1.275 489 c CA 0.830 57.124 56.329 -0.059 0.000 1.727 489 c CB -1.444 40.943 42.510 -0.205 0.000 2.010 489 c HN 0.868 nan 8.230 nan 0.000 0.486 490 H N 0.496 119.576 119.070 0.017 0.000 2.661 490 H HA 0.297 4.854 4.556 0.001 0.000 0.290 490 H C -2.456 172.881 175.328 0.016 0.000 1.082 490 H CA -1.961 54.097 56.048 0.017 0.000 1.234 490 H CB 0.527 30.303 29.762 0.023 0.000 1.387 490 H HN 0.308 nan 8.280 nan 0.000 0.476 491 P HA 0.026 nan 4.420 nan 0.000 0.271 491 P C 0.715 178.052 177.300 0.062 0.000 1.216 491 P CA 0.419 63.563 63.100 0.074 0.000 0.771 491 P CB 0.824 32.555 31.700 0.052 0.000 0.864 492 G N 1.809 110.640 108.800 0.051 0.000 2.298 492 G HA2 -0.227 3.733 3.960 0.001 0.000 0.287 492 G HA3 -0.227 3.733 3.960 0.001 0.000 0.287 492 G C 0.243 175.172 174.900 0.049 0.000 1.075 492 G CA -0.258 44.866 45.100 0.040 0.000 0.960 492 G HN 0.758 nan 8.290 nan 0.000 0.502 493 c N 0.658 119.298 118.600 0.068 0.000 2.362 493 c HA 0.990 5.560 4.570 0.001 0.000 0.363 493 c C 0.869 174.996 174.090 0.061 0.000 1.220 493 c CA 0.716 57.096 56.329 0.085 0.000 2.379 493 c CB 1.067 43.653 42.510 0.126 0.000 2.351 493 c HN 1.376 nan 8.230 nan 0.000 0.582 494 T N 2.185 116.776 114.554 0.062 0.000 3.193 494 T HA 0.569 4.919 4.350 0.001 0.000 0.332 494 T C -3.103 171.625 174.700 0.047 0.000 1.208 494 T CA -0.725 61.402 62.100 0.045 0.000 1.080 494 T CB 1.352 70.239 68.868 0.032 0.000 1.180 494 T HN 0.700 nan 8.240 nan 0.000 0.469 495 P HA 0.456 nan 4.420 nan 0.000 0.297 495 P C -0.502 176.822 177.300 0.039 0.000 1.331 495 P CA -0.631 62.490 63.100 0.035 0.000 0.803 495 P CB 1.153 32.869 31.700 0.027 0.000 0.929 496 R N 3.705 124.227 120.500 0.037 0.000 2.582 496 R HA 0.216 4.556 4.340 0.001 0.000 0.271 496 R C -0.871 175.446 176.300 0.029 0.000 1.078 496 R CA -1.116 55.005 56.100 0.035 0.000 1.127 496 R CB 0.387 30.707 30.300 0.034 0.000 1.038 496 R HN 0.457 nan 8.270 nan 0.000 0.500 497 P HA 0.057 nan 4.420 nan 0.000 0.245 497 P C 0.649 177.968 177.300 0.033 0.000 1.203 497 P CA 0.427 63.542 63.100 0.025 0.000 0.792 497 P CB 0.384 32.094 31.700 0.017 0.000 0.997 498 A N 0.965 123.813 122.820 0.046 0.000 2.084 498 A HA -0.214 4.107 4.320 0.001 0.000 0.221 498 A C 2.215 179.871 177.584 0.120 0.000 1.161 498 A CA 1.797 53.879 52.037 0.075 0.000 0.653 498 A CB -1.667 17.368 19.000 0.058 0.000 0.802 498 A HN 0.538 nan 8.150 nan 0.000 0.457 499 c N -2.858 115.796 118.600 0.089 0.000 2.673 499 c HA 0.421 4.992 4.570 0.001 0.000 0.274 499 c C 0.777 174.910 174.090 0.070 0.000 1.276 499 c CA -1.054 55.335 56.329 0.100 0.000 1.701 499 c CB -2.356 40.207 42.510 0.088 0.000 1.836 499 c HN 0.510 nan 8.230 nan 0.000 0.596 500 c N 3.235 121.850 118.600 0.025 0.000 2.158 500 c HA 0.506 5.077 4.570 0.001 0.000 0.350 500 c C 0.203 174.176 174.090 -0.195 0.000 1.064 500 c CA 0.068 56.322 56.329 -0.124 0.000 1.507 500 c CB -2.094 40.362 42.510 -0.090 0.000 1.934 500 c HN 0.683 nan 8.230 nan 0.000 0.479 501 H N 0.675 119.511 119.070 -0.391 0.000 2.894 501 H HA 0.605 5.161 4.556 0.001 0.000 0.368 501 H C -0.381 174.782 175.328 -0.274 0.000 1.181 501 H CA -0.260 55.632 56.048 -0.260 0.000 1.146 501 H CB 2.259 31.935 29.762 -0.143 0.000 1.839 501 H HN 0.733 nan 8.280 nan 0.000 0.557 502 c N 0.515 119.110 118.600 -0.007 0.000 2.158 502 c HA 0.139 4.710 4.570 0.001 0.000 0.377 502 c C -3.140 170.944 174.090 -0.009 0.000 0.662 502 c CA -1.368 54.965 56.329 0.007 0.000 0.706 502 c CB -1.725 40.777 42.510 -0.014 0.000 1.202 502 c HN 0.439 nan 8.230 nan 0.000 0.741 503 P HA 0.363 nan 4.420 nan 0.000 0.296 503 P C 0.035 177.315 177.300 -0.033 0.000 1.295 503 P CA 0.526 63.624 63.100 -0.004 0.000 0.754 503 P CB 0.717 32.431 31.700 0.022 0.000 1.311 504 D N 0.000 120.364 120.400 -0.059 0.000 6.856 504 D HA 0.000 4.640 4.640 0.001 0.000 0.175 504 D CA 0.000 53.949 54.000 -0.085 0.000 0.868 504 D CB 0.000 40.756 40.800 -0.073 0.000 0.688 504 D HN 0.000 nan 8.370 nan 0.000 0.683