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 1w7a_1_A DATA FIRST_RESID 2 DATA SEQUENCE SAIENFDAHT PMMQQYLRLK AQHPEILLFY RMGDFYELFY DDAKRASQLL DATA SEQUENCE DISLTKRGAS AGEPIPMAGI PYHAVENYLA KLVNQGESVA ICEQIGDPAT DATA SEQUENCE SKGPVERKVV RIVTPGTISD EALLQERQDN LLAAIWQDSK GFGYATLDIS DATA SEQUENCE SGRFRLSEPA DRETMAAELQ RTNPAELLYA EDFAEMSLIE GRRGLRRRPL DATA SEQUENCE WEFEIDTARQ QLNLQFGTRD LVGFGVENAP RGLCAAGCLL QYAKDTQRTT DATA SEQUENCE LPHIRSITME REQDSIIMDA ATRRNLEITQ NLAGGAENTL ASVLDCTVTP DATA SEQUENCE MGSRMLKRWL HMPVRDTRVL LERQQTIGAL QDFTAGLQPV LRQVGDLERI DATA SEQUENCE LARLALRTAR PRDLARMRHA FQQLPELRAQ LETVDSAPVQ ALREKMGEFA DATA SEQUENCE ELRDLLERAI IDTPPVLVRD GGVIASGYNE ELDEWRALAD GATDYLERLE DATA SEQUENCE VRERERTGLD TLKVGFNAVH GYYIQISRGQ SHLAPINYMR RQTLKNAERY DATA SEQUENCE IIPELKEYED KVLTSKGKAL ALEKQLYEEL FDLLLPHLEA LQQSASALAE DATA SEQUENCE LDVLVNLAER AYTLNYTCPT FIDKPGIRIT EGRHPVVEQV LNEPFIANPL DATA SEQUENCE NLSPQRRMLI ITGPNMGGKS TYMRQTALIA LMAYIGSYVP AQKVEIGPID DATA SEQUENCE RIFTRVGAXX XXXXXXSTFM VEMTETANIL HNATEYSLVL MDEIGRGTST DATA SEQUENCE YDGLSLAWAC AENLANKIKA LTLFATHYFE LTQLPEKMEG VANVHLDALE DATA SEQUENCE HGDTIAFMHS VQDGAASKSY GLAVAALAGV PKEVIKRARQ KLRELESIS 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.600 174.600 -0.001 0.000 1.055 2 S CA 0.000 58.204 58.200 0.007 0.000 1.107 2 S CB 0.000 63.203 63.200 0.006 0.000 0.593 3 A N 3.131 125.950 122.820 -0.002 0.000 2.561 3 A HA 0.437 4.758 4.320 0.001 0.000 0.234 3 A C 0.284 177.852 177.584 -0.026 0.000 1.055 3 A CA 0.175 52.202 52.037 -0.017 0.000 0.756 3 A CB -0.212 18.775 19.000 -0.021 0.000 0.986 3 A HN 0.800 nan 8.150 nan 0.000 0.505 4 I N 1.897 122.446 120.570 -0.035 0.000 2.436 4 I HA 0.050 4.221 4.170 0.001 0.000 0.289 4 I C 0.566 176.637 176.117 -0.076 0.000 1.083 4 I CA 0.587 61.865 61.300 -0.037 0.000 1.372 4 I CB 0.455 38.439 38.000 -0.027 0.000 1.408 4 I HN 0.692 nan 8.210 nan 0.000 0.516 5 E N 5.988 126.146 120.200 -0.070 0.000 2.674 5 E HA 0.095 4.446 4.350 0.001 0.000 0.240 5 E C -0.394 176.159 176.600 -0.077 0.000 1.213 5 E CA -0.410 55.896 56.400 -0.157 0.000 1.357 5 E CB 0.087 29.770 29.700 -0.028 0.000 1.467 5 E HN 0.664 nan 8.360 nan 0.000 0.448 6 N N -0.746 117.911 118.700 -0.071 0.000 2.503 6 N HA 0.001 4.742 4.740 0.001 0.000 0.267 6 N C 0.711 176.281 175.510 0.099 0.000 1.214 6 N CA -0.562 52.515 53.050 0.046 0.000 0.959 6 N CB 0.690 39.201 38.487 0.040 0.000 1.142 6 N HN 0.015 nan 8.380 nan 0.000 0.455 7 F N 0.811 120.809 119.950 0.080 0.000 2.048 7 F HA -0.346 4.182 4.527 0.001 0.000 0.296 7 F C 1.665 177.518 175.800 0.087 0.000 1.109 7 F CA 2.095 60.172 58.000 0.128 0.000 1.214 7 F CB -0.280 38.764 39.000 0.072 0.000 0.963 7 F HN 0.585 nan 8.300 nan 0.000 0.491 8 D N -0.139 120.364 120.400 0.172 0.000 2.263 8 D HA -0.112 4.529 4.640 0.001 0.000 0.208 8 D C 2.069 178.337 176.300 -0.053 0.000 0.971 8 D CA 1.246 55.279 54.000 0.055 0.000 0.867 8 D CB -0.447 40.408 40.800 0.091 0.000 0.929 8 D HN 0.406 nan 8.370 nan 0.000 0.492 9 A N 0.263 123.013 122.820 -0.115 0.000 2.238 9 A HA -0.042 4.279 4.320 0.001 0.000 0.208 9 A C 0.737 178.167 177.584 -0.257 0.000 1.177 9 A CA 0.271 52.198 52.037 -0.184 0.000 0.804 9 A CB -0.119 18.749 19.000 -0.221 0.000 0.823 9 A HN 0.148 nan 8.150 nan 0.000 0.482 10 H N 0.387 119.380 119.070 -0.129 0.000 2.496 10 H HA 0.341 4.898 4.556 0.001 0.000 0.342 10 H C 0.588 175.812 175.328 -0.172 0.000 1.170 10 H CA 0.536 56.492 56.048 -0.153 0.000 1.274 10 H CB 1.141 30.779 29.762 -0.207 0.000 1.538 10 H HN 0.330 nan 8.280 nan 0.000 0.542 11 T N -0.535 114.026 114.554 0.012 0.000 2.828 11 T HA 0.078 4.429 4.350 0.001 0.000 0.290 11 T C -1.716 172.935 174.700 -0.081 0.000 1.019 11 T CA -1.535 60.537 62.100 -0.047 0.000 1.031 11 T CB 0.839 69.675 68.868 -0.052 0.000 1.001 11 T HN 0.249 nan 8.240 nan 0.000 0.531 12 P HA -0.120 nan 4.420 nan 0.000 0.216 12 P C 1.832 179.114 177.300 -0.030 0.000 1.150 12 P CA 1.027 64.094 63.100 -0.054 0.000 0.837 12 P CB -0.094 31.596 31.700 -0.016 0.000 0.786 13 M N -1.491 118.092 119.600 -0.029 0.000 2.067 13 M HA -0.168 4.313 4.480 0.001 0.000 0.260 13 M C 1.580 177.856 176.300 -0.039 0.000 1.069 13 M CA 2.163 57.461 55.300 -0.003 0.000 1.117 13 M CB -0.388 32.185 32.600 -0.045 0.000 1.334 13 M HN -0.171 nan 8.290 nan 0.000 0.407 14 M N 0.105 119.625 119.600 -0.133 0.000 2.394 14 M HA -0.113 4.368 4.480 0.001 0.000 0.264 14 M C 1.915 178.108 176.300 -0.178 0.000 1.073 14 M CA 1.447 56.638 55.300 -0.182 0.000 1.111 14 M CB -1.424 31.026 32.600 -0.251 0.000 1.401 14 M HN 0.452 nan 8.290 nan 0.000 0.448 15 Q N -0.056 119.629 119.800 -0.193 0.000 2.079 15 Q HA -0.213 4.128 4.340 0.001 0.000 0.200 15 Q C 2.156 178.159 176.000 0.006 0.000 0.974 15 Q CA 1.510 57.166 55.803 -0.245 0.000 0.840 15 Q CB -0.192 28.238 28.738 -0.513 0.000 0.898 15 Q HN 0.614 nan 8.270 nan 0.000 0.430 16 Q N -0.257 119.578 119.800 0.058 0.000 2.123 16 Q HA -0.209 4.132 4.340 0.001 0.000 0.199 16 Q C 1.867 177.965 176.000 0.162 0.000 0.966 16 Q CA 1.163 57.057 55.803 0.152 0.000 0.845 16 Q CB -0.088 28.770 28.738 0.199 0.000 0.907 16 Q HN 0.447 nan 8.270 nan 0.000 0.439 17 Y N 0.734 121.007 120.300 -0.046 0.000 2.153 17 Y HA -0.156 4.395 4.550 0.002 0.000 0.289 17 Y C 1.807 177.638 175.900 -0.115 0.000 1.127 17 Y CA 1.528 59.478 58.100 -0.250 0.000 1.131 17 Y CB -0.235 37.889 38.460 -0.561 0.000 0.995 17 Y HN 0.078 nan 8.280 nan 0.000 0.505 18 L N 0.365 121.536 121.223 -0.086 0.000 2.083 18 L HA -0.231 4.109 4.340 0.001 0.000 0.209 18 L C 2.791 179.594 176.870 -0.112 0.000 1.083 18 L CA 1.794 56.552 54.840 -0.137 0.000 0.752 18 L CB -0.588 41.408 42.059 -0.105 0.000 0.899 18 L HN 0.213 nan 8.230 nan 0.000 0.433 19 R N 0.588 121.079 120.500 -0.016 0.000 2.081 19 R HA -0.178 4.163 4.340 0.001 0.000 0.235 19 R C 2.276 178.563 176.300 -0.023 0.000 1.131 19 R CA 1.472 57.586 56.100 0.024 0.000 0.960 19 R CB -0.216 30.148 30.300 0.106 0.000 0.856 19 R HN 0.320 nan 8.270 nan 0.000 0.436 20 L N 0.658 121.860 121.223 -0.035 0.000 2.072 20 L HA -0.113 4.228 4.340 0.001 0.000 0.205 20 L C 2.576 179.419 176.870 -0.044 0.000 1.079 20 L CA 1.233 56.078 54.840 0.007 0.000 0.752 20 L CB -0.333 41.798 42.059 0.120 0.000 0.906 20 L HN 0.125 nan 8.230 nan 0.000 0.436 21 K N 0.891 121.141 120.400 -0.250 0.000 2.147 21 K HA -0.128 4.193 4.320 0.001 0.000 0.205 21 K C 1.936 178.476 176.600 -0.100 0.000 1.049 21 K CA 1.448 57.601 56.287 -0.223 0.000 0.936 21 K CB -0.298 31.925 32.500 -0.462 0.000 0.722 21 K HN 0.219 nan 8.250 nan 0.000 0.446 22 A N 0.565 123.321 122.820 -0.107 0.000 2.070 22 A HA -0.180 4.141 4.320 0.001 0.000 0.220 22 A C 1.763 179.277 177.584 -0.118 0.000 1.159 22 A CA 1.536 53.526 52.037 -0.079 0.000 0.656 22 A CB -0.426 18.542 19.000 -0.053 0.000 0.800 22 A HN 0.560 nan 8.150 nan 0.000 0.453 23 Q N -1.107 118.573 119.800 -0.199 0.000 2.424 23 Q HA 0.016 4.356 4.340 0.001 0.000 0.204 23 Q C -0.303 175.245 176.000 -0.754 0.000 0.933 23 Q CA 0.560 56.100 55.803 -0.439 0.000 0.929 23 Q CB 0.211 28.634 28.738 -0.525 0.000 1.037 23 Q HN 0.822 nan 8.270 nan 0.000 0.511 24 H N -0.548 118.511 119.070 -0.018 0.000 2.712 24 H HA 0.149 4.705 4.556 0.001 0.000 0.226 24 H C -1.975 173.351 175.328 -0.004 0.000 1.422 24 H CA -1.439 54.604 56.048 -0.009 0.000 1.270 24 H CB 0.805 30.559 29.762 -0.014 0.000 1.891 24 H HN 0.100 nan 8.280 nan 0.000 0.518 25 P HA -0.134 nan 4.420 nan 0.000 0.220 25 P C 1.049 178.384 177.300 0.057 0.000 1.148 25 P CA 1.222 64.345 63.100 0.037 0.000 0.803 25 P CB 0.692 32.400 31.700 0.014 0.000 0.782 26 E N -0.234 120.005 120.200 0.065 0.000 2.460 26 E HA 0.149 4.500 4.350 0.001 0.000 0.200 26 E C 1.247 177.885 176.600 0.064 0.000 1.011 26 E CA -0.062 56.374 56.400 0.060 0.000 0.912 26 E CB 0.328 30.059 29.700 0.052 0.000 0.953 26 E HN 0.472 nan 8.360 nan 0.000 0.494 27 I N -2.194 118.421 120.570 0.076 0.000 2.797 27 I HA 0.356 4.527 4.170 0.001 0.000 0.307 27 I C -0.122 176.023 176.117 0.047 0.000 1.033 27 I CA -1.189 60.140 61.300 0.049 0.000 1.071 27 I CB 1.488 39.505 38.000 0.029 0.000 1.255 27 I HN -0.295 nan 8.210 nan 0.000 0.445 28 L N 3.944 125.178 121.223 0.019 0.000 2.514 28 L HA 0.102 4.443 4.340 0.001 0.000 0.280 28 L C -0.350 176.525 176.870 0.009 0.000 1.223 28 L CA 0.021 54.884 54.840 0.038 0.000 0.864 28 L CB 0.518 42.584 42.059 0.012 0.000 1.118 28 L HN 0.501 nan 8.230 nan 0.000 0.494 29 L N 4.111 125.411 121.223 0.128 0.000 2.343 29 L HA 0.482 4.823 4.340 0.001 0.000 0.278 29 L C -0.878 176.217 176.870 0.374 0.000 0.996 29 L CA 0.012 54.949 54.840 0.161 0.000 0.831 29 L CB 0.897 43.066 42.059 0.183 0.000 1.232 29 L HN 0.138 nan 8.230 nan 0.000 0.413 30 F N 5.366 125.348 119.950 0.053 0.000 2.438 30 F HA 0.250 4.778 4.527 0.002 0.000 0.360 30 F C -0.398 175.572 175.800 0.284 0.000 1.118 30 F CA -0.335 57.706 58.000 0.070 0.000 1.164 30 F CB 0.270 39.130 39.000 -0.233 0.000 1.131 30 F HN 0.424 nan 8.300 nan 0.000 0.527 31 Y N 4.232 124.752 120.300 0.368 0.000 2.342 31 Y HA 0.438 4.988 4.550 0.001 0.000 0.338 31 Y C 0.258 176.343 175.900 0.309 0.000 0.965 31 Y CA -1.284 57.032 58.100 0.359 0.000 1.159 31 Y CB 0.444 39.162 38.460 0.430 0.000 1.157 31 Y HN 0.485 nan 8.280 nan 0.000 0.486 32 R N 5.628 126.137 120.500 0.014 0.000 2.421 32 R HA 0.239 4.580 4.340 0.001 0.000 0.305 32 R C -1.182 174.992 176.300 -0.210 0.000 1.039 32 R CA 0.450 56.467 56.100 -0.139 0.000 1.003 32 R CB -0.016 30.192 30.300 -0.154 0.000 0.959 32 R HN 0.642 nan 8.270 nan 0.000 0.427 33 M N 5.134 124.668 119.600 -0.109 0.000 1.956 33 M HA 0.240 4.721 4.480 0.001 0.000 0.256 33 M C 0.496 176.771 176.300 -0.041 0.000 0.869 33 M CA -0.029 55.249 55.300 -0.038 0.000 0.886 33 M CB 0.841 33.488 32.600 0.079 0.000 1.739 33 M HN 0.879 nan 8.290 nan 0.000 0.381 34 G N 3.045 111.787 108.800 -0.096 0.000 2.561 34 G HA2 -0.298 3.663 3.960 0.001 0.000 0.289 34 G HA3 -0.298 3.663 3.960 0.001 0.000 0.289 34 G C 0.352 175.158 174.900 -0.157 0.000 1.169 34 G CA 0.564 45.606 45.100 -0.098 0.000 0.980 34 G HN 0.531 nan 8.290 nan 0.000 0.550 35 D N 0.738 121.118 120.400 -0.033 0.000 2.363 35 D HA 0.361 5.001 4.640 0.001 0.000 0.226 35 D C 0.416 176.657 176.300 -0.097 0.000 1.020 35 D CA 0.597 54.560 54.000 -0.062 0.000 0.892 35 D CB -0.091 40.754 40.800 0.075 0.000 0.900 35 D HN 0.174 nan 8.370 nan 0.000 0.531 36 F N -0.801 119.035 119.950 -0.190 0.000 2.593 36 F HA 0.385 4.913 4.527 0.001 0.000 0.320 36 F C -0.411 175.192 175.800 -0.328 0.000 1.060 36 F CA -1.149 56.725 58.000 -0.211 0.000 0.940 36 F CB 1.102 40.013 39.000 -0.148 0.000 1.268 36 F HN -0.284 nan 8.300 nan 0.000 0.475 37 Y N 1.178 121.473 120.300 -0.008 0.000 2.328 37 Y HA 0.438 4.989 4.550 0.002 0.000 0.337 37 Y C -0.050 175.746 175.900 -0.173 0.000 1.008 37 Y CA -0.648 57.387 58.100 -0.107 0.000 1.129 37 Y CB 1.049 39.325 38.460 -0.306 0.000 1.185 37 Y HN 0.491 nan 8.280 nan 0.000 0.476 38 E N 2.835 123.059 120.200 0.041 0.000 2.221 38 E HA 0.675 5.026 4.350 0.001 0.000 0.268 38 E C -1.475 174.924 176.600 -0.336 0.000 0.933 38 E CA -0.843 55.425 56.400 -0.220 0.000 0.809 38 E CB 1.751 31.297 29.700 -0.256 0.000 1.190 38 E HN 0.407 nan 8.360 nan 0.000 0.406 39 L N 1.890 122.757 121.223 -0.593 0.000 2.341 39 L HA 0.603 4.944 4.340 0.001 0.000 0.267 39 L C -1.043 175.262 176.870 -0.942 0.000 1.009 39 L CA -0.492 54.066 54.840 -0.471 0.000 0.819 39 L CB 0.887 42.870 42.059 -0.127 0.000 1.323 39 L HN 0.442 nan 8.230 nan 0.000 0.425 40 F N -0.302 119.585 119.950 -0.104 0.000 2.620 40 F HA 0.692 5.219 4.527 0.001 0.000 0.320 40 F C -0.070 175.701 175.800 -0.047 0.000 1.069 40 F CA -0.912 56.904 58.000 -0.307 0.000 0.953 40 F CB 1.009 39.541 39.000 -0.780 0.000 1.322 40 F HN 0.366 nan 8.300 nan 0.000 0.479 41 Y N -0.461 119.950 120.300 0.184 0.000 2.885 41 Y HA -0.404 4.147 4.550 0.001 0.000 0.466 41 Y C 1.637 177.595 175.900 0.096 0.000 1.189 41 Y CA 0.911 59.086 58.100 0.124 0.000 2.539 41 Y CB -1.537 37.007 38.460 0.140 0.000 1.224 41 Y HN 0.618 nan 8.280 nan 0.000 0.631 42 D N -0.193 120.388 120.400 0.301 0.000 2.221 42 D HA -0.098 4.543 4.640 0.001 0.000 0.204 42 D C 1.355 177.742 176.300 0.146 0.000 0.982 42 D CA 1.525 55.630 54.000 0.176 0.000 0.857 42 D CB -0.257 40.626 40.800 0.140 0.000 0.934 42 D HN 0.426 nan 8.370 nan 0.000 0.475 43 D N 0.055 120.562 120.400 0.178 0.000 2.144 43 D HA -0.077 4.564 4.640 0.001 0.000 0.199 43 D C 2.090 178.440 176.300 0.083 0.000 0.984 43 D CA 1.131 55.216 54.000 0.143 0.000 0.834 43 D CB -0.326 40.589 40.800 0.192 0.000 0.955 43 D HN 0.200 nan 8.370 nan 0.000 0.465 44 A N 0.871 123.718 122.820 0.046 0.000 1.873 44 A HA -0.196 4.125 4.320 0.001 0.000 0.215 44 A C 2.031 179.619 177.584 0.006 0.000 1.186 44 A CA 1.430 53.450 52.037 -0.028 0.000 0.616 44 A CB -0.329 18.623 19.000 -0.080 0.000 0.823 44 A HN 0.142 nan 8.150 nan 0.000 0.442 45 K N -0.801 119.622 120.400 0.038 0.000 2.057 45 K HA -0.127 4.194 4.320 0.001 0.000 0.207 45 K C 2.396 179.022 176.600 0.043 0.000 1.049 45 K CA 1.477 57.788 56.287 0.040 0.000 0.931 45 K CB -0.171 32.361 32.500 0.055 0.000 0.714 45 K HN 0.388 nan 8.250 nan 0.000 0.440 46 R N 0.669 121.203 120.500 0.057 0.000 2.070 46 R HA -0.108 4.233 4.340 0.001 0.000 0.233 46 R C 2.364 178.699 176.300 0.059 0.000 1.137 46 R CA 1.399 57.534 56.100 0.059 0.000 0.945 46 R CB -0.280 30.061 30.300 0.069 0.000 0.845 46 R HN 0.217 nan 8.270 nan 0.000 0.430 47 A N -0.082 122.776 122.820 0.063 0.000 1.908 47 A HA -0.226 4.095 4.320 0.001 0.000 0.218 47 A C 2.131 179.740 177.584 0.041 0.000 1.181 47 A CA 2.070 54.148 52.037 0.067 0.000 0.627 47 A CB -0.941 18.094 19.000 0.059 0.000 0.818 47 A HN 0.459 nan 8.150 nan 0.000 0.445 48 S N -1.317 114.393 115.700 0.017 0.000 2.387 48 S HA -0.283 4.188 4.470 0.001 0.000 0.230 48 S C 2.190 176.809 174.600 0.032 0.000 1.035 48 S CA 2.119 60.326 58.200 0.011 0.000 1.014 48 S CB -0.277 62.925 63.200 0.003 0.000 0.836 48 S HN 0.637 nan 8.310 nan 0.000 0.466 49 Q N 0.222 120.046 119.800 0.039 0.000 2.089 49 Q HA 0.245 4.586 4.340 0.001 0.000 0.195 49 Q C 2.085 178.116 176.000 0.053 0.000 0.963 49 Q CA 1.231 57.060 55.803 0.042 0.000 0.834 49 Q CB -0.182 28.580 28.738 0.040 0.000 0.906 49 Q HN 0.587 nan 8.270 nan 0.000 0.452 50 L N -0.459 120.802 121.223 0.063 0.000 2.156 50 L HA -0.038 4.303 4.340 0.001 0.000 0.208 50 L C 1.566 178.497 176.870 0.101 0.000 1.095 50 L CA 0.726 55.610 54.840 0.074 0.000 0.770 50 L CB -0.099 42.007 42.059 0.079 0.000 0.914 50 L HN 0.225 nan 8.230 nan 0.000 0.439 51 L N -1.454 119.843 121.223 0.124 0.000 2.664 51 L HA 0.159 4.500 4.340 0.001 0.000 0.233 51 L C 0.071 177.045 176.870 0.173 0.000 1.113 51 L CA -0.171 54.790 54.840 0.202 0.000 0.896 51 L CB -0.084 42.123 42.059 0.247 0.000 1.163 51 L HN 0.137 nan 8.230 nan 0.000 0.497 52 D N 1.871 122.331 120.400 0.101 0.000 2.746 52 D HA -0.185 4.455 4.640 0.001 0.000 0.241 52 D C -0.302 176.045 176.300 0.078 0.000 1.140 52 D CA 0.570 54.616 54.000 0.077 0.000 0.707 52 D CB -0.701 40.141 40.800 0.071 0.000 1.034 52 D HN 0.511 nan 8.370 nan 0.000 0.423 53 I N -3.318 117.280 120.570 0.046 0.000 2.957 53 I HA 0.618 4.789 4.170 0.001 0.000 0.310 53 I C 0.241 176.355 176.117 -0.005 0.000 1.063 53 I CA -1.150 60.158 61.300 0.013 0.000 1.033 53 I CB 2.007 39.977 38.000 -0.050 0.000 1.230 53 I HN 0.030 nan 8.210 nan 0.000 0.447 54 S N 2.700 118.391 115.700 -0.016 0.000 2.528 54 S HA 0.365 4.836 4.470 0.001 0.000 0.277 54 S C -0.477 174.101 174.600 -0.037 0.000 1.297 54 S CA -0.538 57.650 58.200 -0.019 0.000 1.052 54 S CB 0.554 63.743 63.200 -0.018 0.000 0.917 54 S HN 0.523 nan 8.310 nan 0.000 0.492 55 L N 5.988 127.195 121.223 -0.027 0.000 2.260 55 L HA 0.580 4.921 4.340 0.001 0.000 0.289 55 L C 0.328 177.177 176.870 -0.035 0.000 1.057 55 L CA 0.603 55.423 54.840 -0.033 0.000 0.811 55 L CB 1.008 43.059 42.059 -0.015 0.000 1.184 55 L HN 0.844 nan 8.230 nan 0.000 0.429 56 T N 3.857 118.381 114.554 -0.050 0.000 2.598 56 T HA 0.694 5.044 4.350 0.001 0.000 0.254 56 T C -1.060 173.613 174.700 -0.044 0.000 0.889 56 T CA -0.537 61.535 62.100 -0.047 0.000 1.091 56 T CB 0.921 69.753 68.868 -0.061 0.000 1.437 56 T HN 0.765 nan 8.240 nan 0.000 0.542 57 K N 0.913 121.287 120.400 -0.043 0.000 2.533 57 K HA 0.503 4.823 4.320 0.001 0.000 0.272 57 K C -1.533 175.042 176.600 -0.042 0.000 0.985 57 K CA -0.938 55.326 56.287 -0.038 0.000 0.876 57 K CB 1.859 34.339 32.500 -0.033 0.000 1.452 57 K HN 0.703 nan 8.250 nan 0.000 0.439 58 R N 0.724 121.195 120.500 -0.048 0.000 2.437 58 R HA 0.424 4.765 4.340 0.001 0.000 0.310 58 R C 0.037 176.291 176.300 -0.076 0.000 0.955 58 R CA -0.341 55.721 56.100 -0.064 0.000 0.851 58 R CB 1.358 31.609 30.300 -0.082 0.000 1.161 58 R HN 0.869 nan 8.270 nan 0.000 0.446 59 G N 1.765 110.528 108.800 -0.063 0.000 2.690 59 G HA2 0.383 4.344 3.960 0.001 0.000 0.239 59 G HA3 0.383 4.344 3.960 0.001 0.000 0.239 59 G C -0.924 173.939 174.900 -0.061 0.000 1.233 59 G CA -0.037 45.031 45.100 -0.053 0.000 0.847 59 G HN 0.722 nan 8.290 nan 0.000 0.588 60 A N -0.063 122.730 122.820 -0.046 0.000 2.427 60 A HA 0.627 4.948 4.320 0.001 0.000 0.298 60 A C 0.810 178.374 177.584 -0.033 0.000 1.036 60 A CA 0.390 52.401 52.037 -0.043 0.000 0.701 60 A CB 1.606 20.586 19.000 -0.033 0.000 1.250 60 A HN 1.131 nan 8.150 nan 0.000 0.412 61 S N 1.506 117.186 115.700 -0.033 0.000 2.355 61 S HA 0.144 4.615 4.470 0.001 0.000 0.222 61 S C 0.937 175.521 174.600 -0.027 0.000 1.031 61 S CA 1.686 59.869 58.200 -0.029 0.000 0.993 61 S CB -0.178 63.005 63.200 -0.029 0.000 0.859 61 S HN 1.982 nan 8.310 nan 0.000 0.453 62 A N -0.068 122.734 122.820 -0.030 0.000 2.310 62 A HA 0.711 5.032 4.320 0.001 0.000 0.304 62 A C 0.460 178.025 177.584 -0.032 0.000 1.231 62 A CA 0.013 52.031 52.037 -0.033 0.000 0.799 62 A CB 0.387 19.362 19.000 -0.042 0.000 1.162 62 A HN 1.364 nan 8.150 nan 0.000 0.486 63 G N 1.760 110.547 108.800 -0.022 0.000 2.362 63 G HA2 0.057 4.018 3.960 0.001 0.000 0.517 63 G HA3 0.057 4.018 3.960 0.001 0.000 0.517 63 G C -0.737 174.164 174.900 0.002 0.000 1.256 63 G CA -0.434 44.659 45.100 -0.012 0.000 1.027 63 G HN 0.915 nan 8.290 nan 0.000 0.491 64 E N 1.572 121.785 120.200 0.021 0.000 2.343 64 E HA 0.453 4.804 4.350 0.001 0.000 0.269 64 E C -2.052 174.563 176.600 0.025 0.000 1.047 64 E CA -1.323 55.094 56.400 0.028 0.000 0.874 64 E CB 0.809 30.539 29.700 0.049 0.000 1.033 64 E HN 0.464 nan 8.360 nan 0.000 0.409 65 P HA 0.045 nan 4.420 nan 0.000 0.269 65 P C -0.456 176.830 177.300 -0.024 0.000 1.215 65 P CA 0.229 63.319 63.100 -0.016 0.000 0.780 65 P CB 0.613 32.303 31.700 -0.017 0.000 0.898 66 I N 3.627 124.142 120.570 -0.092 0.000 2.312 66 I HA 0.194 4.365 4.170 0.001 0.000 0.291 66 I C -2.084 173.945 176.117 -0.147 0.000 1.031 66 I CA -2.608 58.567 61.300 -0.209 0.000 1.293 66 I CB 0.939 38.686 38.000 -0.421 0.000 1.403 66 I HN 0.086 nan 8.210 nan 0.000 0.484 67 P HA 0.096 nan 4.420 nan 0.000 0.264 67 P C -0.689 176.585 177.300 -0.042 0.000 1.193 67 P CA 0.126 63.198 63.100 -0.047 0.000 0.763 67 P CB 0.546 32.253 31.700 0.012 0.000 0.810 68 M N 2.853 122.423 119.600 -0.050 0.000 2.501 68 M HA 0.767 5.248 4.480 0.001 0.000 0.293 68 M C -1.938 174.259 176.300 -0.172 0.000 1.192 68 M CA -0.621 54.608 55.300 -0.119 0.000 0.886 68 M CB 2.407 34.995 32.600 -0.019 0.000 1.710 68 M HN 0.413 nan 8.290 nan 0.000 0.457 69 A N 2.017 124.670 122.820 -0.279 0.000 2.604 69 A HA 0.964 5.285 4.320 0.001 0.000 0.295 69 A C -0.983 176.438 177.584 -0.271 0.000 1.067 69 A CA -0.071 51.836 52.037 -0.217 0.000 0.683 69 A CB 1.710 20.615 19.000 -0.158 0.000 1.281 69 A HN 1.267 nan 8.150 nan 0.000 0.407 70 G N -0.652 108.023 108.800 -0.209 0.000 2.523 70 G HA2 0.707 4.668 3.960 0.001 0.000 0.291 70 G HA3 0.707 4.668 3.960 0.001 0.000 0.291 70 G C -1.297 173.540 174.900 -0.105 0.000 1.450 70 G CA 0.163 45.156 45.100 -0.180 0.000 0.790 70 G HN 1.947 nan 8.290 nan 0.000 0.496 71 I N -2.373 118.125 120.570 -0.120 0.000 2.865 71 I HA 0.749 4.920 4.170 0.001 0.000 0.302 71 I C -2.959 172.944 176.117 -0.356 0.000 1.140 71 I CA -3.092 58.061 61.300 -0.245 0.000 1.021 71 I CB 2.712 40.339 38.000 -0.623 0.000 1.233 71 I HN 0.224 nan 8.210 nan 0.000 0.427 72 P HA 0.036 nan 4.420 nan 0.000 0.268 72 P C -0.086 176.827 177.300 -0.646 0.000 1.204 72 P CA 0.027 62.495 63.100 -1.054 0.000 0.768 72 P CB 0.136 31.137 31.700 -1.165 0.000 0.842 73 Y N 3.486 123.430 120.300 -0.594 0.000 2.256 73 Y HA -0.270 4.281 4.550 0.001 0.000 0.288 73 Y C 1.936 177.778 175.900 -0.096 0.000 1.155 73 Y CA 1.593 59.517 58.100 -0.293 0.000 1.203 73 Y CB -1.739 36.473 38.460 -0.413 0.000 0.980 73 Y HN 0.529 nan 8.280 nan 0.000 0.530 74 H N -0.634 117.787 119.070 -1.081 0.000 2.563 74 H HA 0.431 4.988 4.556 0.001 0.000 0.272 74 H C 1.045 176.194 175.328 -0.298 0.000 1.005 74 H CA 0.683 56.250 56.048 -0.802 0.000 1.171 74 H CB -0.074 29.202 29.762 -0.810 0.000 1.351 74 H HN 0.510 nan 8.280 nan 0.000 0.602 75 A N 1.405 124.066 122.820 -0.266 0.000 2.564 75 A HA 0.328 4.648 4.320 0.001 0.000 0.279 75 A C 2.005 179.671 177.584 0.135 0.000 1.232 75 A CA 0.044 52.068 52.037 -0.022 0.000 0.950 75 A CB -0.170 18.835 19.000 0.008 0.000 1.138 75 A HN 0.217 nan 8.150 nan 0.000 0.526 76 V N -1.077 118.914 119.914 0.127 0.000 2.343 76 V HA -0.245 3.876 4.120 0.001 0.000 0.247 76 V C 2.071 178.282 176.094 0.195 0.000 1.051 76 V CA 2.203 64.638 62.300 0.224 0.000 1.036 76 V CB -0.987 30.958 31.823 0.203 0.000 0.654 76 V HN 0.659 nan 8.190 nan 0.000 0.451 77 E N 0.671 120.931 120.200 0.100 0.000 2.160 77 E HA -0.229 4.122 4.350 0.001 0.000 0.195 77 E C 2.139 178.747 176.600 0.013 0.000 0.991 77 E CA 1.274 57.703 56.400 0.049 0.000 0.810 77 E CB -0.104 29.607 29.700 0.019 0.000 0.742 77 E HN 0.655 nan 8.360 nan 0.000 0.466 78 N N -0.362 118.319 118.700 -0.032 0.000 2.188 78 N HA -0.147 4.593 4.740 0.001 0.000 0.184 78 N C 1.525 176.905 175.510 -0.216 0.000 1.018 78 N CA 1.049 53.998 53.050 -0.169 0.000 0.858 78 N CB -0.214 38.090 38.487 -0.305 0.000 0.989 78 N HN 0.287 nan 8.380 nan 0.000 0.426 79 Y N 1.322 121.650 120.300 0.046 0.000 2.337 79 Y HA 0.097 4.648 4.550 0.001 0.000 0.293 79 Y C 2.353 178.311 175.900 0.096 0.000 1.123 79 Y CA 0.381 58.533 58.100 0.087 0.000 1.201 79 Y CB -0.389 38.145 38.460 0.124 0.000 1.011 79 Y HN -0.037 nan 8.280 nan 0.000 0.545 80 L N -0.862 120.477 121.223 0.194 0.000 2.083 80 L HA -0.237 4.104 4.340 0.001 0.000 0.209 80 L C 2.681 179.560 176.870 0.015 0.000 1.083 80 L CA 1.038 55.913 54.840 0.058 0.000 0.752 80 L CB -0.880 41.183 42.059 0.006 0.000 0.899 80 L HN 0.239 nan 8.230 nan 0.000 0.433 81 A N 0.475 123.298 122.820 0.005 0.000 1.865 81 A HA -0.257 4.064 4.320 0.001 0.000 0.217 81 A C 2.335 179.913 177.584 -0.010 0.000 1.191 81 A CA 1.959 53.986 52.037 -0.017 0.000 0.623 81 A CB -0.459 18.519 19.000 -0.037 0.000 0.826 81 A HN 0.317 nan 8.150 nan 0.000 0.444 82 K N -0.531 119.867 120.400 -0.005 0.000 2.074 82 K HA -0.132 4.189 4.320 0.001 0.000 0.209 82 K C 1.954 178.571 176.600 0.029 0.000 1.048 82 K CA 1.597 57.891 56.287 0.012 0.000 0.926 82 K CB -0.468 32.051 32.500 0.031 0.000 0.713 82 K HN 0.496 nan 8.250 nan 0.000 0.444 83 L N 0.272 121.521 121.223 0.042 0.000 2.027 83 L HA -0.161 4.179 4.340 0.001 0.000 0.206 83 L C 2.444 179.310 176.870 -0.006 0.000 1.074 83 L CA 0.794 55.647 54.840 0.021 0.000 0.745 83 L CB -0.463 41.594 42.059 -0.003 0.000 0.898 83 L HN 0.029 nan 8.230 nan 0.000 0.433 84 V N 0.274 120.177 119.914 -0.018 0.000 2.626 84 V HA -0.192 3.928 4.120 0.001 0.000 0.252 84 V C 1.991 178.079 176.094 -0.009 0.000 1.067 84 V CA 1.529 63.816 62.300 -0.021 0.000 1.081 84 V CB -0.472 31.334 31.823 -0.029 0.000 0.686 84 V HN 0.490 nan 8.190 nan 0.000 0.468 85 N N -0.265 118.431 118.700 -0.005 0.000 2.494 85 N HA -0.052 4.689 4.740 0.001 0.000 0.182 85 N C 1.501 177.013 175.510 0.003 0.000 1.076 85 N CA 0.738 53.786 53.050 -0.003 0.000 0.908 85 N CB 0.083 38.568 38.487 -0.005 0.000 0.967 85 N HN 0.631 nan 8.380 nan 0.000 0.449 86 Q N -0.926 118.878 119.800 0.006 0.000 2.282 86 Q HA 0.218 4.559 4.340 0.001 0.000 0.206 86 Q C 0.480 176.486 176.000 0.010 0.000 0.878 86 Q CA 0.032 55.842 55.803 0.011 0.000 0.944 86 Q CB 0.854 29.603 28.738 0.018 0.000 1.100 86 Q HN 0.305 nan 8.270 nan 0.000 0.509 87 G N 1.293 110.096 108.800 0.005 0.000 2.143 87 G HA2 -0.201 3.760 3.960 0.001 0.000 0.249 87 G HA3 -0.201 3.760 3.960 0.001 0.000 0.249 87 G C -0.224 174.680 174.900 0.007 0.000 0.981 87 G CA -0.189 44.915 45.100 0.007 0.000 0.665 87 G HN 0.199 nan 8.290 nan 0.000 0.528 88 E N 0.834 121.034 120.200 -0.001 0.000 2.283 88 E HA 0.502 4.853 4.350 0.001 0.000 0.278 88 E C 0.255 176.836 176.600 -0.032 0.000 1.027 88 E CA -0.100 56.296 56.400 -0.008 0.000 0.843 88 E CB 1.470 31.165 29.700 -0.008 0.000 1.062 88 E HN 0.215 nan 8.360 nan 0.000 0.401 89 S N 0.851 116.532 115.700 -0.031 0.000 2.652 89 S HA 0.528 4.999 4.470 0.001 0.000 0.270 89 S C -0.255 174.266 174.600 -0.132 0.000 1.243 89 S CA -0.704 57.460 58.200 -0.061 0.000 0.999 89 S CB 1.157 64.349 63.200 -0.014 0.000 0.973 89 S HN 0.269 nan 8.310 nan 0.000 0.544 90 V N 1.204 120.991 119.914 -0.213 0.000 2.697 90 V HA 0.582 4.703 4.120 0.001 0.000 0.300 90 V C -0.268 175.615 176.094 -0.352 0.000 1.115 90 V CA -1.013 61.077 62.300 -0.350 0.000 0.912 90 V CB 1.402 32.843 31.823 -0.637 0.000 1.024 90 V HN 0.990 nan 8.190 nan 0.000 0.431 91 A N 5.979 128.602 122.820 -0.329 0.000 2.363 91 A HA 0.803 5.124 4.320 0.001 0.000 0.270 91 A C -0.373 177.058 177.584 -0.255 0.000 1.121 91 A CA -0.293 51.527 52.037 -0.361 0.000 0.800 91 A CB 0.238 18.871 19.000 -0.611 0.000 1.052 91 A HN 0.643 nan 8.150 nan 0.000 0.493 92 I N 2.696 123.149 120.570 -0.196 0.000 2.330 92 I HA 0.190 4.360 4.170 0.001 0.000 0.286 92 I C 0.050 176.174 176.117 0.013 0.000 1.025 92 I CA -0.330 60.913 61.300 -0.095 0.000 1.197 92 I CB 0.426 38.353 38.000 -0.121 0.000 1.358 92 I HN 0.663 nan 8.210 nan 0.000 0.467 93 C N 7.689 127.060 119.300 0.119 0.000 2.330 93 C HA 0.561 5.022 4.460 0.001 0.000 0.344 93 C C 0.264 175.338 174.990 0.139 0.000 1.273 93 C CA -0.130 58.966 59.018 0.130 0.000 1.879 93 C CB 0.304 28.167 27.740 0.204 0.000 2.376 93 C HN 0.750 nan 8.230 nan 0.000 0.534 94 E N 2.978 123.222 120.200 0.075 0.000 2.281 94 E HA 0.330 4.680 4.350 0.001 0.000 0.262 94 E C -0.953 175.629 176.600 -0.030 0.000 0.933 94 E CA -0.521 55.906 56.400 0.045 0.000 0.809 94 E CB 1.358 31.095 29.700 0.061 0.000 1.242 94 E HN 0.719 nan 8.360 nan 0.000 0.418 95 Q N 1.140 120.901 119.800 -0.064 0.000 2.288 95 Q HA 0.200 4.541 4.340 0.001 0.000 0.258 95 Q C 0.735 176.711 176.000 -0.041 0.000 0.957 95 Q CA -0.148 55.611 55.803 -0.073 0.000 0.919 95 Q CB 0.979 29.657 28.738 -0.099 0.000 1.185 95 Q HN 0.375 nan 8.270 nan 0.000 0.408 96 I N 1.117 121.673 120.570 -0.025 0.000 3.039 96 I HA 0.098 4.269 4.170 0.001 0.000 0.270 96 I C 1.225 177.334 176.117 -0.014 0.000 1.150 96 I CA 0.659 61.952 61.300 -0.012 0.000 1.448 96 I CB -0.844 37.157 38.000 0.001 0.000 1.197 96 I HN 0.608 nan 8.210 nan 0.000 0.450 97 G N 0.646 109.438 108.800 -0.013 0.000 2.563 97 G HA2 0.141 4.102 3.960 0.001 0.000 0.283 97 G HA3 0.141 4.102 3.960 0.001 0.000 0.283 97 G C -0.895 173.992 174.900 -0.021 0.000 1.309 97 G CA -0.007 45.086 45.100 -0.012 0.000 1.022 97 G HN 0.153 nan 8.290 nan 0.000 0.501 98 D N -0.670 119.720 120.400 -0.018 0.000 2.392 98 D HA 0.361 5.002 4.640 0.001 0.000 0.228 98 D C -1.546 174.742 176.300 -0.020 0.000 1.074 98 D CA -2.212 51.775 54.000 -0.022 0.000 0.838 98 D CB 1.913 42.702 40.800 -0.019 0.000 1.067 98 D HN -0.109 nan 8.370 nan 0.000 0.511 99 P HA -0.124 nan 4.420 nan 0.000 0.216 99 P C 1.040 178.331 177.300 -0.016 0.000 1.150 99 P CA 1.324 64.412 63.100 -0.021 0.000 0.843 99 P CB 0.222 31.905 31.700 -0.028 0.000 0.787 100 A N -0.557 122.252 122.820 -0.018 0.000 1.978 100 A HA -0.161 4.160 4.320 0.001 0.000 0.220 100 A C 1.958 179.537 177.584 -0.009 0.000 1.170 100 A CA 2.337 54.366 52.037 -0.014 0.000 0.636 100 A CB -1.649 17.341 19.000 -0.016 0.000 0.810 100 A HN 0.371 nan 8.150 nan 0.000 0.448 101 T N -3.491 111.058 114.554 -0.008 0.000 3.182 101 T HA 0.400 4.750 4.350 0.001 0.000 0.277 101 T C 0.059 174.758 174.700 -0.002 0.000 1.013 101 T CA 0.214 62.311 62.100 -0.005 0.000 0.900 101 T CB -0.099 68.766 68.868 -0.005 0.000 1.098 101 T HN 0.087 nan 8.240 nan 0.000 0.543 102 S N 1.479 117.178 115.700 -0.002 0.000 2.449 102 S HA 0.483 4.954 4.470 0.001 0.000 0.310 102 S C 0.742 175.344 174.600 0.004 0.000 1.096 102 S CA -0.929 57.272 58.200 0.003 0.000 1.095 102 S CB 2.272 65.474 63.200 0.002 0.000 1.007 102 S HN 0.315 nan 8.310 nan 0.000 0.474 103 K N 3.612 124.017 120.400 0.008 0.000 1.965 103 K HA 0.010 4.331 4.320 0.001 0.000 0.220 103 K C 1.305 177.911 176.600 0.010 0.000 1.046 103 K CA 1.757 58.049 56.287 0.009 0.000 0.974 103 K CB -1.003 31.505 32.500 0.013 0.000 0.738 103 K HN 0.722 nan 8.250 nan 0.000 0.444 104 G N -0.325 108.484 108.800 0.016 0.000 2.666 104 G HA2 0.309 4.270 3.960 0.001 0.000 0.207 104 G HA3 0.309 4.270 3.960 0.001 0.000 0.207 104 G C -2.174 172.737 174.900 0.020 0.000 1.481 104 G CA -0.789 44.322 45.100 0.017 0.000 1.071 104 G HN 0.286 nan 8.290 nan 0.000 0.572 105 P HA 0.164 nan 4.420 nan 0.000 0.264 105 P C 0.097 177.417 177.300 0.033 0.000 1.183 105 P CA -0.292 62.831 63.100 0.038 0.000 0.763 105 P CB 0.864 32.604 31.700 0.067 0.000 0.807 106 V N 2.963 122.887 119.914 0.017 0.000 2.963 106 V HA -0.029 4.091 4.120 0.001 0.000 0.306 106 V C 0.727 176.830 176.094 0.015 0.000 1.077 106 V CA -0.174 62.129 62.300 0.006 0.000 1.124 106 V CB 0.443 32.256 31.823 -0.016 0.000 0.987 106 V HN 0.594 nan 8.190 nan 0.000 0.487 107 E N 5.490 125.699 120.200 0.015 0.000 2.415 107 E HA 0.147 4.497 4.350 0.001 0.000 0.263 107 E C -0.323 176.285 176.600 0.013 0.000 0.995 107 E CA 0.008 56.423 56.400 0.025 0.000 0.915 107 E CB 0.449 30.162 29.700 0.021 0.000 0.951 107 E HN 0.593 nan 8.360 nan 0.000 0.449 108 R N 3.512 124.031 120.500 0.033 0.000 2.750 108 R HA 0.516 4.857 4.340 0.001 0.000 0.281 108 R C -0.699 175.633 176.300 0.055 0.000 0.972 108 R CA -0.866 55.244 56.100 0.017 0.000 0.912 108 R CB 1.983 32.273 30.300 -0.016 0.000 1.187 108 R HN 0.418 nan 8.270 nan 0.000 0.464 109 K N 0.937 121.366 120.400 0.048 0.000 2.527 109 K HA 0.306 4.626 4.320 0.001 0.000 0.260 109 K C -1.192 175.449 176.600 0.069 0.000 0.937 109 K CA -0.834 55.492 56.287 0.065 0.000 0.826 109 K CB 2.956 35.482 32.500 0.044 0.000 1.359 109 K HN 0.176 nan 8.250 nan 0.000 0.434 110 V N 3.259 123.224 119.914 0.085 0.000 2.427 110 V HA 0.015 4.136 4.120 0.001 0.000 0.268 110 V C 1.124 177.231 176.094 0.021 0.000 1.046 110 V CA -0.084 62.245 62.300 0.048 0.000 0.970 110 V CB 0.851 32.709 31.823 0.057 0.000 1.001 110 V HN 0.719 nan 8.190 nan 0.000 0.476 111 V N 2.764 122.680 119.914 0.003 0.000 3.590 111 V HA 0.418 4.539 4.120 0.001 0.000 0.265 111 V C 0.633 176.706 176.094 -0.035 0.000 1.239 111 V CA 0.421 62.718 62.300 -0.006 0.000 1.117 111 V CB -0.375 31.453 31.823 0.008 0.000 0.818 111 V HN 0.865 nan 8.190 nan 0.000 0.451 112 R N 0.007 120.468 120.500 -0.064 0.000 2.687 112 R HA 0.578 4.919 4.340 0.001 0.000 0.265 112 R C -2.339 173.870 176.300 -0.150 0.000 1.048 112 R CA -0.827 55.215 56.100 -0.096 0.000 0.884 112 R CB 1.698 31.950 30.300 -0.080 0.000 1.258 112 R HN 0.247 nan 8.270 nan 0.000 0.469 113 I N 3.322 123.790 120.570 -0.170 0.000 2.410 113 I HA 0.295 4.466 4.170 0.001 0.000 0.286 113 I C -0.294 175.716 176.117 -0.178 0.000 1.009 113 I CA -1.254 59.922 61.300 -0.207 0.000 1.111 113 I CB 2.145 40.013 38.000 -0.221 0.000 1.262 113 I HN 0.266 nan 8.210 nan 0.000 0.443 114 V N 5.471 125.277 119.914 -0.180 0.000 2.408 114 V HA 0.346 4.466 4.120 0.001 0.000 0.267 114 V C 0.546 176.574 176.094 -0.111 0.000 1.047 114 V CA -0.012 62.203 62.300 -0.142 0.000 0.937 114 V CB 1.003 32.728 31.823 -0.163 0.000 0.999 114 V HN 0.904 nan 8.190 nan 0.000 0.472 115 T N 2.860 117.376 114.554 -0.063 0.000 2.906 115 T HA 0.513 4.863 4.350 0.001 0.000 0.295 115 T C -2.263 172.441 174.700 0.007 0.000 1.075 115 T CA -2.113 59.983 62.100 -0.006 0.000 1.005 115 T CB 2.454 71.366 68.868 0.075 0.000 1.136 115 T HN 0.279 nan 8.240 nan 0.000 0.498 116 P HA 0.091 nan 4.420 nan 0.000 0.218 116 P C 1.284 178.591 177.300 0.011 0.000 1.148 116 P CA 1.144 64.249 63.100 0.008 0.000 0.822 116 P CB -0.170 31.535 31.700 0.009 0.000 0.784 117 G N -2.600 106.217 108.800 0.029 0.000 3.337 117 G HA2 0.053 4.014 3.960 0.001 0.000 0.246 117 G HA3 0.053 4.014 3.960 0.001 0.000 0.246 117 G C 0.817 175.729 174.900 0.020 0.000 1.131 117 G CA 0.263 45.374 45.100 0.018 0.000 0.773 117 G HN 0.146 nan 8.290 nan 0.000 0.544 118 T N 1.085 115.651 114.554 0.019 0.000 3.043 118 T HA 0.223 4.574 4.350 0.001 0.000 0.272 118 T C 0.964 175.651 174.700 -0.022 0.000 0.990 118 T CA -0.450 61.649 62.100 -0.001 0.000 0.897 118 T CB 0.036 68.903 68.868 -0.001 0.000 1.111 118 T HN 0.390 nan 8.240 nan 0.000 0.529 119 I N 0.834 121.392 120.570 -0.020 0.000 2.696 119 I HA 0.390 4.561 4.170 0.001 0.000 0.284 119 I C 0.948 177.053 176.117 -0.021 0.000 1.129 119 I CA -0.155 61.129 61.300 -0.026 0.000 1.410 119 I CB 1.045 39.030 38.000 -0.025 0.000 1.399 119 I HN 0.007 nan 8.210 nan 0.000 0.579 120 S N 0.884 116.569 115.700 -0.026 0.000 2.787 120 S HA 0.226 4.696 4.470 0.001 0.000 0.255 120 S C 0.028 174.612 174.600 -0.026 0.000 1.051 120 S CA -0.549 57.635 58.200 -0.026 0.000 1.124 120 S CB -0.097 63.081 63.200 -0.037 0.000 1.104 120 S HN 0.711 nan 8.310 nan 0.000 0.623 121 D N 2.726 123.112 120.400 -0.024 0.000 2.308 121 D HA 0.175 4.816 4.640 0.001 0.000 0.251 121 D C 1.002 177.292 176.300 -0.017 0.000 1.127 121 D CA 0.004 53.993 54.000 -0.018 0.000 0.876 121 D CB 1.398 42.188 40.800 -0.016 0.000 1.176 121 D HN 0.389 nan 8.370 nan 0.000 0.446 122 E N 2.411 122.602 120.200 -0.015 0.000 2.147 122 E HA -0.283 4.067 4.350 0.001 0.000 0.199 122 E C 1.525 178.116 176.600 -0.016 0.000 1.005 122 E CA 1.398 57.789 56.400 -0.015 0.000 0.810 122 E CB 0.161 29.852 29.700 -0.015 0.000 0.736 122 E HN 0.528 nan 8.360 nan 0.000 0.460 123 A N 0.277 123.086 122.820 -0.017 0.000 2.067 123 A HA -0.055 4.265 4.320 0.001 0.000 0.219 123 A C 1.979 179.551 177.584 -0.020 0.000 1.158 123 A CA 0.812 52.837 52.037 -0.019 0.000 0.661 123 A CB -0.222 18.766 19.000 -0.020 0.000 0.801 123 A HN 0.315 nan 8.150 nan 0.000 0.452 124 L N -1.190 120.022 121.223 -0.019 0.000 2.513 124 L HA 0.260 4.601 4.340 0.001 0.000 0.222 124 L C 0.437 177.298 176.870 -0.016 0.000 1.096 124 L CA -0.147 54.681 54.840 -0.019 0.000 0.857 124 L CB -0.213 41.834 42.059 -0.021 0.000 1.026 124 L HN 0.214 nan 8.230 nan 0.000 0.469 125 L N -0.519 120.695 121.223 -0.015 0.000 2.400 125 L HA 0.347 4.688 4.340 0.001 0.000 0.264 125 L C 0.015 176.879 176.870 -0.010 0.000 1.061 125 L CA -0.559 54.274 54.840 -0.011 0.000 0.799 125 L CB 0.938 42.990 42.059 -0.010 0.000 1.240 125 L HN 0.012 nan 8.230 nan 0.000 0.461 126 Q N 0.542 120.338 119.800 -0.007 0.000 2.307 126 Q HA 0.184 4.524 4.340 0.001 0.000 0.262 126 Q C 0.159 176.155 176.000 -0.006 0.000 0.961 126 Q CA -0.378 55.421 55.803 -0.006 0.000 0.882 126 Q CB 2.293 31.029 28.738 -0.003 0.000 1.264 126 Q HN 0.569 nan 8.270 nan 0.000 0.446 127 E N 1.804 121.999 120.200 -0.008 0.000 2.065 127 E HA -0.229 4.122 4.350 0.001 0.000 0.201 127 E C 0.643 177.239 176.600 -0.007 0.000 1.016 127 E CA 1.416 57.811 56.400 -0.009 0.000 0.818 127 E CB 0.214 29.908 29.700 -0.011 0.000 0.749 127 E HN 0.362 nan 8.360 nan 0.000 0.453 128 R N 0.303 120.800 120.500 -0.005 0.000 2.515 128 R HA 0.168 4.509 4.340 0.001 0.000 0.294 128 R C -0.087 176.216 176.300 0.004 0.000 1.021 128 R CA 0.036 56.134 56.100 -0.003 0.000 1.081 128 R CB 0.474 30.771 30.300 -0.004 0.000 1.263 128 R HN 0.173 nan 8.270 nan 0.000 0.557 129 Q N 0.276 120.079 119.800 0.005 0.000 2.347 129 Q HA 0.220 4.561 4.340 0.001 0.000 0.271 129 Q C -1.307 174.698 176.000 0.009 0.000 1.064 129 Q CA -0.877 54.932 55.803 0.011 0.000 0.800 129 Q CB 2.479 31.223 28.738 0.010 0.000 1.304 129 Q HN -0.008 nan 8.270 nan 0.000 0.438 130 D N 1.523 121.932 120.400 0.014 0.000 2.372 130 D HA 0.089 4.730 4.640 0.001 0.000 0.243 130 D C -0.601 175.704 176.300 0.008 0.000 1.121 130 D CA 0.302 54.310 54.000 0.014 0.000 0.898 130 D CB 0.760 41.574 40.800 0.022 0.000 1.202 130 D HN 0.343 nan 8.370 nan 0.000 0.428 131 N N 1.971 120.673 118.700 0.004 0.000 2.569 131 N HA 0.290 5.031 4.740 0.001 0.000 0.254 131 N C -1.301 174.206 175.510 -0.004 0.000 1.004 131 N CA -0.394 52.656 53.050 0.000 0.000 0.904 131 N CB 0.474 38.960 38.487 -0.002 0.000 1.165 131 N HN 0.202 nan 8.380 nan 0.000 0.513 132 L N 2.177 123.398 121.223 -0.005 0.000 2.325 132 L HA 0.563 4.904 4.340 0.001 0.000 0.278 132 L C -0.482 176.374 176.870 -0.025 0.000 1.023 132 L CA -1.300 53.531 54.840 -0.015 0.000 0.811 132 L CB 1.499 43.553 42.059 -0.008 0.000 1.249 132 L HN 0.332 nan 8.230 nan 0.000 0.431 133 L N 2.777 123.971 121.223 -0.047 0.000 2.307 133 L HA 0.820 5.161 4.340 0.001 0.000 0.282 133 L C -0.280 176.529 176.870 -0.102 0.000 1.051 133 L CA 0.162 54.965 54.840 -0.062 0.000 0.804 133 L CB 1.295 43.322 42.059 -0.053 0.000 1.197 133 L HN 0.731 nan 8.230 nan 0.000 0.431 134 A N 3.926 126.679 122.820 -0.112 0.000 2.515 134 A HA 0.988 5.309 4.320 0.001 0.000 0.296 134 A C -1.408 176.098 177.584 -0.130 0.000 1.094 134 A CA -0.151 51.777 52.037 -0.181 0.000 0.718 134 A CB 1.616 20.530 19.000 -0.144 0.000 1.307 134 A HN 1.216 nan 8.150 nan 0.000 0.408 135 A N 0.779 123.516 122.820 -0.139 0.000 2.422 135 A HA 0.796 5.116 4.320 0.001 0.000 0.302 135 A C -1.021 176.686 177.584 0.206 0.000 1.041 135 A CA -0.334 51.716 52.037 0.021 0.000 0.708 135 A CB 0.966 19.943 19.000 -0.039 0.000 1.257 135 A HN 1.439 nan 8.150 nan 0.000 0.414 136 I N 2.531 123.313 120.570 0.353 0.000 2.730 136 I HA 0.822 4.993 4.170 0.001 0.000 0.298 136 I C -1.680 174.742 176.117 0.508 0.000 1.089 136 I CA -0.613 60.959 61.300 0.454 0.000 1.041 136 I CB 1.901 40.057 38.000 0.261 0.000 1.235 136 I HN 0.930 nan 8.210 nan 0.000 0.423 137 W N 7.426 128.938 121.300 0.353 0.000 3.066 137 W HA 0.540 5.197 4.660 -0.005 0.000 0.330 137 W C -2.509 174.277 176.519 0.444 0.000 1.253 137 W CA -0.702 56.821 57.345 0.297 0.000 1.187 137 W CB 1.107 30.533 29.460 -0.058 0.000 1.434 137 W HN 0.695 nan 8.180 nan 0.000 0.572 138 Q N 1.756 121.325 119.800 -0.386 0.000 2.418 138 Q HA 0.587 4.928 4.340 0.001 0.000 0.282 138 Q C -1.298 174.066 176.000 -1.060 0.000 1.044 138 Q CA -0.620 54.766 55.803 -0.697 0.000 0.813 138 Q CB 3.231 31.615 28.738 -0.591 0.000 1.428 138 Q HN 0.408 nan 8.270 nan 0.000 0.402 139 D N 0.778 120.670 120.400 -0.845 0.000 2.707 139 D HA 0.342 4.983 4.640 0.001 0.000 0.223 139 D C 0.287 176.311 176.300 -0.461 0.000 1.208 139 D CA -0.210 53.415 54.000 -0.624 0.000 1.081 139 D CB -0.060 40.466 40.800 -0.457 0.000 1.216 139 D HN 0.386 nan 8.370 nan 0.000 0.633 140 S N -1.076 114.435 115.700 -0.315 0.000 2.414 140 S HA -0.001 4.469 4.470 0.001 0.000 0.227 140 S C 1.436 175.884 174.600 -0.252 0.000 1.022 140 S CA 0.798 58.844 58.200 -0.256 0.000 0.958 140 S CB -0.166 62.931 63.200 -0.171 0.000 0.797 140 S HN 0.317 nan 8.310 nan 0.000 0.493 141 K N 0.612 120.871 120.400 -0.235 0.000 2.284 141 K HA 0.375 4.696 4.320 0.001 0.000 0.198 141 K C 1.103 177.556 176.600 -0.245 0.000 1.048 141 K CA 0.538 56.712 56.287 -0.189 0.000 0.987 141 K CB 0.272 32.703 32.500 -0.115 0.000 0.800 141 K HN 0.341 nan 8.250 nan 0.000 0.486 142 G N -0.954 107.625 108.800 -0.368 0.000 2.450 142 G HA2 0.401 4.362 3.960 0.001 0.000 0.273 142 G HA3 0.401 4.362 3.960 0.001 0.000 0.273 142 G C -1.662 172.845 174.900 -0.655 0.000 1.221 142 G CA -0.965 43.858 45.100 -0.462 0.000 0.900 142 G HN -0.042 nan 8.290 nan 0.000 0.483 143 F N 0.318 120.271 119.950 0.005 0.000 2.522 143 F HA 0.709 5.238 4.527 0.004 0.000 0.324 143 F C 0.792 176.712 175.800 0.201 0.000 1.077 143 F CA -0.321 57.726 58.000 0.080 0.000 0.944 143 F CB 2.542 41.605 39.000 0.104 0.000 1.175 143 F HN 0.649 nan 8.300 nan 0.000 0.468 144 G N 0.939 110.082 108.800 0.573 0.000 2.415 144 G HA2 0.524 4.484 3.960 0.001 0.000 0.327 144 G HA3 0.524 4.484 3.960 0.001 0.000 0.327 144 G C -2.464 172.806 174.900 0.617 0.000 1.182 144 G CA -0.476 44.986 45.100 0.604 0.000 0.924 144 G HN 0.518 nan 8.290 nan 0.000 0.470 145 Y N 0.908 121.374 120.300 0.276 0.000 2.513 145 Y HA 0.683 5.232 4.550 -0.001 0.000 0.340 145 Y C -0.568 175.420 175.900 0.147 0.000 1.055 145 Y CA -0.996 57.225 58.100 0.200 0.000 1.020 145 Y CB 2.263 40.811 38.460 0.146 0.000 1.301 145 Y HN 0.915 nan 8.280 nan 0.000 0.453 146 A N 2.665 125.233 122.820 -0.419 0.000 2.515 146 A HA 0.832 5.152 4.320 0.001 0.000 0.298 146 A C -1.044 176.279 177.584 -0.435 0.000 1.059 146 A CA -0.236 51.642 52.037 -0.265 0.000 0.698 146 A CB 1.390 20.383 19.000 -0.013 0.000 1.289 146 A HN 0.915 nan 8.150 nan 0.000 0.404 147 T N -0.976 113.474 114.554 -0.175 0.000 2.906 147 T HA 0.738 5.088 4.350 0.001 0.000 0.295 147 T C -1.092 173.608 174.700 -0.001 0.000 1.061 147 T CA -0.638 61.380 62.100 -0.138 0.000 1.000 147 T CB 1.451 70.252 68.868 -0.112 0.000 1.103 147 T HN 1.664 nan 8.240 nan 0.000 0.486 148 L N 1.386 122.553 121.223 -0.093 0.000 2.464 148 L HA 0.678 5.019 4.340 0.001 0.000 0.266 148 L C -1.766 175.040 176.870 -0.106 0.000 0.965 148 L CA -0.400 54.340 54.840 -0.166 0.000 0.833 148 L CB 2.264 44.080 42.059 -0.404 0.000 1.296 148 L HN 0.858 nan 8.230 nan 0.000 0.405 149 D N 4.184 124.541 120.400 -0.071 0.000 2.443 149 D HA 0.141 4.781 4.640 0.001 0.000 0.221 149 D C 0.940 177.218 176.300 -0.037 0.000 1.097 149 D CA -0.140 53.840 54.000 -0.033 0.000 0.865 149 D CB 0.933 41.735 40.800 0.004 0.000 1.034 149 D HN 0.637 nan 8.370 nan 0.000 0.511 150 I N 2.608 123.159 120.570 -0.032 0.000 2.567 150 I HA -0.155 4.015 4.170 0.001 0.000 0.257 150 I C 1.363 177.557 176.117 0.129 0.000 1.184 150 I CA 1.065 62.376 61.300 0.017 0.000 1.451 150 I CB 0.255 38.255 38.000 0.001 0.000 1.089 150 I HN 0.223 nan 8.210 nan 0.000 0.441 151 S N -0.963 114.777 115.700 0.068 0.000 2.634 151 S HA 0.102 4.573 4.470 0.001 0.000 0.221 151 S C 1.342 175.994 174.600 0.086 0.000 0.952 151 S CA 0.574 58.809 58.200 0.060 0.000 0.930 151 S CB -0.176 63.035 63.200 0.019 0.000 0.780 151 S HN 0.697 nan 8.310 nan 0.000 0.498 152 S N -1.216 114.559 115.700 0.125 0.000 2.560 152 S HA 0.428 4.899 4.470 0.001 0.000 0.281 152 S C 1.330 176.008 174.600 0.129 0.000 1.075 152 S CA 0.595 58.866 58.200 0.118 0.000 1.295 152 S CB 0.098 63.338 63.200 0.066 0.000 1.156 152 S HN 0.687 nan 8.310 nan 0.000 0.627 153 G N 2.135 110.965 108.800 0.050 0.000 2.217 153 G HA2 -0.318 3.642 3.960 0.001 0.000 0.246 153 G HA3 -0.318 3.642 3.960 0.001 0.000 0.246 153 G C 0.109 174.984 174.900 -0.042 0.000 0.990 153 G CA 0.156 45.186 45.100 -0.117 0.000 0.627 153 G HN 0.784 nan 8.290 nan 0.000 0.522 154 R N 0.336 120.844 120.500 0.013 0.000 2.446 154 R HA 0.402 4.743 4.340 0.001 0.000 0.325 154 R C -0.886 175.470 176.300 0.093 0.000 0.997 154 R CA -0.237 55.895 56.100 0.054 0.000 1.010 154 R CB -0.324 30.011 30.300 0.058 0.000 0.946 154 R HN 0.054 nan 8.270 nan 0.000 0.422 155 F N 5.436 125.350 119.950 -0.059 0.000 2.427 155 F HA 0.505 5.035 4.527 0.005 0.000 0.348 155 F C -0.748 175.016 175.800 -0.060 0.000 1.125 155 F CA -1.160 56.803 58.000 -0.062 0.000 0.989 155 F CB 1.021 39.989 39.000 -0.053 0.000 1.165 155 F HN 0.465 nan 8.300 nan 0.000 0.442 156 R N 6.146 126.795 120.500 0.248 0.000 2.750 156 R HA 0.622 4.963 4.340 0.001 0.000 0.281 156 R C -1.420 174.881 176.300 0.002 0.000 0.972 156 R CA -0.946 55.184 56.100 0.051 0.000 0.912 156 R CB 2.827 33.165 30.300 0.064 0.000 1.187 156 R HN 0.821 nan 8.270 nan 0.000 0.464 157 L N -0.131 121.070 121.223 -0.037 0.000 2.388 157 L HA 0.770 5.111 4.340 0.001 0.000 0.264 157 L C -0.776 176.132 176.870 0.063 0.000 0.998 157 L CA -0.330 54.505 54.840 -0.009 0.000 0.817 157 L CB 2.348 44.361 42.059 -0.076 0.000 1.338 157 L HN 0.869 nan 8.230 nan 0.000 0.414 158 S N 1.587 117.370 115.700 0.138 0.000 2.656 158 S HA 0.563 5.034 4.470 0.001 0.000 0.273 158 S C -1.175 173.548 174.600 0.205 0.000 1.168 158 S CA -0.864 57.431 58.200 0.159 0.000 0.817 158 S CB 1.956 65.262 63.200 0.176 0.000 1.146 158 S HN 0.778 nan 8.310 nan 0.000 0.475 159 E N 0.962 121.267 120.200 0.175 0.000 3.352 159 E HA 0.316 4.667 4.350 0.001 0.000 0.254 159 E C -2.927 173.778 176.600 0.174 0.000 1.229 159 E CA -1.588 54.928 56.400 0.194 0.000 0.949 159 E CB 1.086 30.877 29.700 0.152 0.000 1.373 159 E HN 0.368 nan 8.360 nan 0.000 0.392 160 P HA -0.081 nan 4.420 nan 0.000 0.261 160 P C 0.520 177.953 177.300 0.222 0.000 1.183 160 P CA 0.275 63.472 63.100 0.162 0.000 0.761 160 P CB 0.985 32.743 31.700 0.096 0.000 0.785 161 A N 3.593 126.499 122.820 0.144 0.000 1.930 161 A HA -0.055 4.266 4.320 0.001 0.000 0.217 161 A C 0.667 178.330 177.584 0.131 0.000 1.175 161 A CA 1.672 53.774 52.037 0.108 0.000 0.627 161 A CB -0.635 18.406 19.000 0.068 0.000 0.815 161 A HN 0.680 nan 8.150 nan 0.000 0.443 162 D N -4.483 116.036 120.400 0.198 0.000 2.752 162 D HA 0.315 4.956 4.640 0.001 0.000 0.313 162 D C 0.640 177.118 176.300 0.296 0.000 1.225 162 D CA -0.685 53.452 54.000 0.228 0.000 0.976 162 D CB 0.330 41.201 40.800 0.118 0.000 1.443 162 D HN -0.092 nan 8.370 nan 0.000 0.515 163 R N -0.490 120.165 120.500 0.258 0.000 2.083 163 R HA -0.152 4.188 4.340 0.001 0.000 0.237 163 R C 1.503 177.792 176.300 -0.018 0.000 1.137 163 R CA 1.375 57.541 56.100 0.111 0.000 0.951 163 R CB -0.092 30.269 30.300 0.102 0.000 0.851 163 R HN 0.530 nan 8.270 nan 0.000 0.434 164 E N -0.324 119.891 120.200 0.026 0.000 2.110 164 E HA -0.127 4.224 4.350 0.001 0.000 0.193 164 E C 1.845 178.429 176.600 -0.027 0.000 0.988 164 E CA 1.692 58.096 56.400 0.007 0.000 0.804 164 E CB -0.083 29.652 29.700 0.058 0.000 0.745 164 E HN 0.395 nan 8.360 nan 0.000 0.458 165 T N 1.183 115.734 114.554 -0.006 0.000 2.708 165 T HA -0.203 4.148 4.350 0.001 0.000 0.266 165 T C 1.851 176.486 174.700 -0.107 0.000 1.037 165 T CA 1.692 63.774 62.100 -0.031 0.000 1.146 165 T CB -0.226 68.652 68.868 0.017 0.000 0.865 165 T HN 0.082 nan 8.240 nan 0.000 0.435 166 M N 1.796 121.290 119.600 -0.176 0.000 2.108 166 M HA 0.042 4.523 4.480 0.001 0.000 0.261 166 M C 2.297 178.388 176.300 -0.349 0.000 1.066 166 M CA 1.488 56.558 55.300 -0.383 0.000 1.107 166 M CB -0.769 31.329 32.600 -0.836 0.000 1.356 166 M HN 0.227 nan 8.290 nan 0.000 0.406 167 A N -0.623 122.049 122.820 -0.247 0.000 1.930 167 A HA 0.120 4.441 4.320 0.001 0.000 0.217 167 A C 2.326 179.821 177.584 -0.148 0.000 1.175 167 A CA 1.762 53.688 52.037 -0.184 0.000 0.627 167 A CB -1.282 17.648 19.000 -0.118 0.000 0.815 167 A HN 0.617 nan 8.150 nan 0.000 0.443 168 A N -0.506 122.241 122.820 -0.123 0.000 1.930 168 A HA -0.108 4.213 4.320 0.001 0.000 0.217 168 A C 1.965 179.483 177.584 -0.109 0.000 1.175 168 A CA 1.528 53.509 52.037 -0.092 0.000 0.627 168 A CB -0.345 18.611 19.000 -0.073 0.000 0.815 168 A HN 0.445 nan 8.150 nan 0.000 0.443 169 E N 0.049 120.155 120.200 -0.157 0.000 2.072 169 E HA -0.112 4.239 4.350 0.001 0.000 0.191 169 E C 2.064 178.548 176.600 -0.194 0.000 0.985 169 E CA 0.789 57.088 56.400 -0.168 0.000 0.801 169 E CB -0.365 29.185 29.700 -0.250 0.000 0.750 169 E HN 0.665 nan 8.360 nan 0.000 0.452 170 L N 0.660 121.716 121.223 -0.278 0.000 2.042 170 L HA -0.254 4.087 4.340 0.001 0.000 0.210 170 L C 2.838 179.646 176.870 -0.103 0.000 1.076 170 L CA 1.520 56.243 54.840 -0.196 0.000 0.749 170 L CB -0.363 41.569 42.059 -0.210 0.000 0.893 170 L HN 0.165 nan 8.230 nan 0.000 0.432 171 Q N 0.253 119.987 119.800 -0.108 0.000 2.079 171 Q HA -0.247 4.094 4.340 0.001 0.000 0.200 171 Q C 2.323 178.245 176.000 -0.130 0.000 0.974 171 Q CA 1.566 57.314 55.803 -0.091 0.000 0.840 171 Q CB -0.063 28.634 28.738 -0.069 0.000 0.898 171 Q HN 0.275 nan 8.270 nan 0.000 0.430 172 R N -0.369 120.052 120.500 -0.132 0.000 2.081 172 R HA -0.121 4.220 4.340 0.001 0.000 0.235 172 R C 2.104 178.298 176.300 -0.176 0.000 1.131 172 R CA 2.024 58.001 56.100 -0.206 0.000 0.960 172 R CB -0.331 29.921 30.300 -0.080 0.000 0.856 172 R HN 0.518 nan 8.270 nan 0.000 0.436 173 T N -2.162 112.364 114.554 -0.046 0.000 3.054 173 T HA -0.034 4.317 4.350 0.001 0.000 0.259 173 T C 0.753 175.456 174.700 0.005 0.000 1.092 173 T CA 0.443 62.557 62.100 0.023 0.000 1.121 173 T CB -0.269 68.697 68.868 0.163 0.000 0.912 173 T HN 0.389 nan 8.240 nan 0.000 0.489 174 N N 2.569 121.259 118.700 -0.016 0.000 2.686 174 N HA -0.096 4.645 4.740 0.001 0.000 0.261 174 N C -2.511 173.003 175.510 0.008 0.000 1.001 174 N CA 0.368 53.407 53.050 -0.017 0.000 0.764 174 N CB -0.815 37.647 38.487 -0.043 0.000 0.898 174 N HN 0.402 nan 8.380 nan 0.000 0.544 175 P HA 0.085 nan 4.420 nan 0.000 0.267 175 P C 0.282 177.587 177.300 0.009 0.000 1.200 175 P CA 0.212 63.330 63.100 0.028 0.000 0.772 175 P CB 0.769 32.502 31.700 0.057 0.000 0.855 176 A N 2.022 124.843 122.820 0.001 0.000 2.178 176 A HA 0.032 4.353 4.320 0.001 0.000 0.211 176 A C 0.849 178.431 177.584 -0.003 0.000 1.157 176 A CA 0.755 52.791 52.037 -0.001 0.000 0.780 176 A CB -0.318 18.682 19.000 -0.001 0.000 0.828 176 A HN 0.682 nan 8.150 nan 0.000 0.476 177 E N -0.491 119.703 120.200 -0.011 0.000 2.291 177 E HA 0.517 4.867 4.350 0.001 0.000 0.276 177 E C -2.035 174.537 176.600 -0.047 0.000 0.896 177 E CA -0.490 55.894 56.400 -0.026 0.000 0.774 177 E CB 1.317 31.006 29.700 -0.019 0.000 1.227 177 E HN 0.162 nan 8.360 nan 0.000 0.413 178 L N 6.630 127.829 121.223 -0.041 0.000 2.342 178 L HA 0.470 4.810 4.340 0.001 0.000 0.276 178 L C -1.251 175.603 176.870 -0.026 0.000 0.997 178 L CA -0.791 54.039 54.840 -0.017 0.000 0.838 178 L CB 0.970 43.039 42.059 0.017 0.000 1.224 178 L HN 0.621 nan 8.230 nan 0.000 0.416 179 L N 5.826 127.002 121.223 -0.078 0.000 2.305 179 L HA 0.371 4.711 4.340 0.001 0.000 0.281 179 L C -0.783 176.159 176.870 0.120 0.000 1.085 179 L CA -0.538 54.245 54.840 -0.096 0.000 0.813 179 L CB 0.757 42.667 42.059 -0.248 0.000 1.157 179 L HN 0.489 nan 8.230 nan 0.000 0.436 180 Y N 1.788 122.082 120.300 -0.009 0.000 2.492 180 Y HA 0.795 5.345 4.550 0.000 0.000 0.346 180 Y C -0.275 175.607 175.900 -0.029 0.000 0.997 180 Y CA -1.454 56.618 58.100 -0.048 0.000 1.025 180 Y CB 1.198 39.489 38.460 -0.281 0.000 1.263 180 Y HN 0.604 nan 8.280 nan 0.000 0.454 181 A N 3.338 126.057 122.820 -0.169 0.000 2.511 181 A HA 0.148 4.468 4.320 0.001 0.000 0.242 181 A C 1.210 178.766 177.584 -0.046 0.000 1.069 181 A CA 0.117 51.960 52.037 -0.323 0.000 0.763 181 A CB -0.045 18.648 19.000 -0.511 0.000 1.001 181 A HN 1.034 nan 8.150 nan 0.000 0.498 182 E N 1.757 121.900 120.200 -0.094 0.000 2.267 182 E HA -0.244 4.107 4.350 0.001 0.000 0.197 182 E C 0.265 176.937 176.600 0.121 0.000 0.998 182 E CA 1.425 57.821 56.400 -0.007 0.000 0.830 182 E CB -0.173 29.515 29.700 -0.019 0.000 0.751 182 E HN 0.745 nan 8.360 nan 0.000 0.491 183 D N 0.321 120.789 120.400 0.112 0.000 2.358 183 D HA -0.050 4.591 4.640 0.001 0.000 0.224 183 D C -0.182 176.183 176.300 0.108 0.000 1.123 183 D CA -0.657 53.397 54.000 0.090 0.000 0.833 183 D CB -0.705 40.116 40.800 0.034 0.000 0.946 183 D HN 0.072 nan 8.370 nan 0.000 0.505 184 F N 1.635 121.627 119.950 0.070 0.000 2.602 184 F HA 0.249 4.777 4.527 0.000 0.000 0.385 184 F C 1.472 177.280 175.800 0.013 0.000 1.063 184 F CA -0.137 57.895 58.000 0.053 0.000 1.233 184 F CB 1.101 40.187 39.000 0.144 0.000 1.067 184 F HN 0.063 nan 8.300 nan 0.000 0.564 185 A N 3.869 126.423 122.820 -0.442 0.000 1.943 185 A HA 0.003 4.323 4.320 0.001 0.000 0.213 185 A C 1.128 178.556 177.584 -0.260 0.000 1.181 185 A CA 0.550 52.416 52.037 -0.285 0.000 0.653 185 A CB -0.318 18.512 19.000 -0.284 0.000 0.833 185 A HN 0.605 nan 8.150 nan 0.000 0.451 186 E N 0.529 120.448 120.200 -0.468 0.000 2.232 186 E HA 0.230 4.581 4.350 0.001 0.000 0.296 186 E C 0.933 177.571 176.600 0.064 0.000 1.372 186 E CA -0.195 56.097 56.400 -0.180 0.000 1.527 186 E CB -0.328 29.303 29.700 -0.115 0.000 1.424 186 E HN 0.308 nan 8.360 nan 0.000 0.485 187 M N 0.178 119.828 119.600 0.084 0.000 2.358 187 M HA -0.131 4.350 4.480 0.001 0.000 0.264 187 M C 1.747 178.066 176.300 0.031 0.000 1.064 187 M CA 0.997 56.357 55.300 0.099 0.000 1.093 187 M CB -1.072 31.548 32.600 0.032 0.000 1.401 187 M HN 0.376 nan 8.290 nan 0.000 0.440 188 S N 0.538 116.250 115.700 0.020 0.000 2.400 188 S HA -0.121 4.350 4.470 0.001 0.000 0.232 188 S C 1.969 176.563 174.600 -0.011 0.000 1.025 188 S CA 0.991 59.190 58.200 -0.002 0.000 0.993 188 S CB -0.928 62.269 63.200 -0.006 0.000 0.808 188 S HN 0.490 nan 8.310 nan 0.000 0.478 189 L N 1.000 122.229 121.223 0.011 0.000 2.131 189 L HA 0.077 4.418 4.340 0.001 0.000 0.210 189 L C 2.400 179.227 176.870 -0.072 0.000 1.092 189 L CA 1.492 56.313 54.840 -0.031 0.000 0.759 189 L CB -0.458 41.590 42.059 -0.019 0.000 0.903 189 L HN 0.543 nan 8.230 nan 0.000 0.435 190 I N -5.872 114.647 120.570 -0.086 0.000 4.403 190 I HA 0.116 4.287 4.170 0.001 0.000 0.331 190 I C 1.740 177.771 176.117 -0.144 0.000 1.327 190 I CA 0.049 61.249 61.300 -0.166 0.000 1.175 190 I CB 0.007 37.804 38.000 -0.338 0.000 1.165 190 I HN 0.019 nan 8.210 nan 0.000 0.413 191 E N 2.414 122.552 120.200 -0.104 0.000 2.086 191 E HA -0.200 4.151 4.350 0.001 0.000 0.200 191 E C 2.116 178.686 176.600 -0.050 0.000 1.012 191 E CA 1.954 58.310 56.400 -0.074 0.000 0.812 191 E CB -0.223 29.453 29.700 -0.040 0.000 0.743 191 E HN 0.734 nan 8.360 nan 0.000 0.453 192 G N 0.382 109.156 108.800 -0.043 0.000 2.777 192 G HA2 -0.068 3.892 3.960 0.001 0.000 0.211 192 G HA3 -0.068 3.892 3.960 0.001 0.000 0.211 192 G C 0.504 175.388 174.900 -0.027 0.000 1.149 192 G CA -0.326 44.757 45.100 -0.028 0.000 0.785 192 G HN 0.008 nan 8.290 nan 0.000 0.536 193 R N 0.689 121.165 120.500 -0.040 0.000 2.738 193 R HA 0.256 4.597 4.340 0.001 0.000 0.268 193 R C 0.590 176.880 176.300 -0.016 0.000 1.062 193 R CA -0.342 55.739 56.100 -0.032 0.000 1.158 193 R CB 0.522 30.796 30.300 -0.044 0.000 1.046 193 R HN 0.367 nan 8.270 nan 0.000 0.493 194 R N -0.219 120.275 120.500 -0.010 0.000 2.615 194 R HA 0.264 4.604 4.340 0.001 0.000 0.270 194 R C 0.385 176.686 176.300 0.001 0.000 1.081 194 R CA 0.100 56.199 56.100 -0.001 0.000 1.154 194 R CB 0.262 30.562 30.300 -0.001 0.000 1.063 194 R HN 0.763 nan 8.270 nan 0.000 0.519 195 G N 1.013 109.817 108.800 0.007 0.000 2.356 195 G HA2 -0.267 3.694 3.960 0.001 0.000 0.296 195 G HA3 -0.267 3.694 3.960 0.001 0.000 0.296 195 G C -0.367 174.537 174.900 0.008 0.000 1.022 195 G CA 0.267 45.372 45.100 0.008 0.000 0.961 195 G HN 0.462 nan 8.290 nan 0.000 0.510 196 L N 0.359 121.599 121.223 0.027 0.000 2.367 196 L HA 0.598 4.939 4.340 0.001 0.000 0.275 196 L C 0.533 177.450 176.870 0.078 0.000 1.129 196 L CA -0.252 54.629 54.840 0.067 0.000 0.839 196 L CB 0.621 42.725 42.059 0.075 0.000 1.133 196 L HN 0.248 nan 8.230 nan 0.000 0.453 197 R N 5.108 125.649 120.500 0.068 0.000 2.467 197 R HA 0.281 4.622 4.340 0.001 0.000 0.299 197 R C -0.623 175.562 176.300 -0.193 0.000 1.120 197 R CA -0.690 55.381 56.100 -0.049 0.000 0.940 197 R CB 1.093 31.298 30.300 -0.157 0.000 1.161 197 R HN 0.626 nan 8.270 nan 0.000 0.506 198 R N 2.481 122.816 120.500 -0.275 0.000 2.489 198 R HA 0.129 4.470 4.340 0.001 0.000 0.287 198 R C -0.407 175.663 176.300 -0.383 0.000 1.053 198 R CA 0.149 55.852 56.100 -0.663 0.000 1.036 198 R CB 0.542 30.613 30.300 -0.383 0.000 0.966 198 R HN 0.296 nan 8.270 nan 0.000 0.432 199 R N 4.394 124.660 120.500 -0.391 0.000 2.807 199 R HA 0.435 4.776 4.340 0.001 0.000 0.276 199 R C -2.586 173.611 176.300 -0.171 0.000 0.979 199 R CA -2.837 53.139 56.100 -0.206 0.000 0.928 199 R CB 1.223 31.463 30.300 -0.101 0.000 1.191 199 R HN 0.539 nan 8.270 nan 0.000 0.471 200 P HA 0.113 nan 4.420 nan 0.000 0.269 200 P C 1.018 178.191 177.300 -0.211 0.000 1.209 200 P CA -0.266 62.692 63.100 -0.237 0.000 0.776 200 P CB 0.740 32.187 31.700 -0.421 0.000 0.876 201 L N 2.708 123.913 121.223 -0.031 0.000 2.042 201 L HA -0.157 4.184 4.340 0.001 0.000 0.210 201 L C 2.127 179.081 176.870 0.140 0.000 1.076 201 L CA 1.591 56.488 54.840 0.095 0.000 0.749 201 L CB -0.575 41.577 42.059 0.155 0.000 0.893 201 L HN 0.616 nan 8.230 nan 0.000 0.432 202 W N 0.183 121.560 121.300 0.128 0.000 2.364 202 W HA -0.192 4.468 4.660 0.000 0.000 0.281 202 W C 1.368 177.915 176.519 0.046 0.000 1.219 202 W CA 0.605 57.996 57.345 0.077 0.000 1.220 202 W CB -0.997 28.488 29.460 0.041 0.000 1.127 202 W HN 0.267 nan 8.180 nan 0.000 0.556 203 E N 0.077 119.987 120.200 -0.484 0.000 2.472 203 E HA -0.107 4.244 4.350 0.001 0.000 0.200 203 E C 0.649 176.981 176.600 -0.447 0.000 1.046 203 E CA 0.766 56.841 56.400 -0.541 0.000 0.871 203 E CB -0.396 28.810 29.700 -0.823 0.000 0.806 203 E HN 0.288 nan 8.360 nan 0.000 0.533 204 F N 0.515 120.296 119.950 -0.282 0.000 2.654 204 F HA 0.148 4.674 4.527 -0.001 0.000 0.303 204 F C 0.645 176.208 175.800 -0.395 0.000 1.099 204 F CA -0.514 57.218 58.000 -0.447 0.000 1.270 204 F CB 0.508 39.083 39.000 -0.708 0.000 1.024 204 F HN -0.170 nan 8.300 nan 0.000 0.548 205 E N 1.372 121.553 120.200 -0.032 0.000 2.366 205 E HA -0.004 4.347 4.350 0.001 0.000 0.266 205 E C 1.324 177.904 176.600 -0.034 0.000 1.015 205 E CA 0.071 56.477 56.400 0.010 0.000 0.906 205 E CB 0.488 30.246 29.700 0.096 0.000 0.979 205 E HN 0.289 nan 8.360 nan 0.000 0.443 206 I N 4.391 124.949 120.570 -0.019 0.000 2.208 206 I HA -0.254 3.916 4.170 0.001 0.000 0.245 206 I C 0.988 177.104 176.117 -0.002 0.000 1.097 206 I CA 1.730 63.022 61.300 -0.014 0.000 1.363 206 I CB -0.198 37.818 38.000 0.027 0.000 1.051 206 I HN 0.648 nan 8.210 nan 0.000 0.413 207 D N -0.232 120.176 120.400 0.014 0.000 2.097 207 D HA -0.149 4.492 4.640 0.001 0.000 0.195 207 D C 2.207 178.510 176.300 0.005 0.000 0.989 207 D CA 1.963 55.971 54.000 0.014 0.000 0.827 207 D CB -0.482 40.330 40.800 0.020 0.000 0.966 207 D HN 0.348 nan 8.370 nan 0.000 0.456 208 T N 0.888 115.446 114.554 0.008 0.000 2.746 208 T HA -0.098 4.253 4.350 0.001 0.000 0.267 208 T C 2.014 176.700 174.700 -0.024 0.000 1.039 208 T CA 1.424 63.526 62.100 0.004 0.000 1.142 208 T CB -0.291 68.600 68.868 0.038 0.000 0.866 208 T HN 0.185 nan 8.240 nan 0.000 0.444 209 A N 2.123 124.916 122.820 -0.046 0.000 1.873 209 A HA -0.205 4.116 4.320 0.001 0.000 0.218 209 A C 2.371 179.924 177.584 -0.052 0.000 1.193 209 A CA 1.812 53.806 52.037 -0.072 0.000 0.629 209 A CB -0.628 18.315 19.000 -0.096 0.000 0.826 209 A HN 0.437 nan 8.150 nan 0.000 0.447 210 R N -1.095 119.390 120.500 -0.025 0.000 2.083 210 R HA -0.184 4.157 4.340 0.001 0.000 0.237 210 R C 2.611 178.905 176.300 -0.010 0.000 1.137 210 R CA 1.546 57.644 56.100 -0.003 0.000 0.951 210 R CB -0.398 29.910 30.300 0.015 0.000 0.851 210 R HN 0.689 nan 8.270 nan 0.000 0.434 211 Q N 0.680 120.472 119.800 -0.014 0.000 2.050 211 Q HA -0.197 4.143 4.340 0.001 0.000 0.202 211 Q C 2.010 177.985 176.000 -0.042 0.000 0.980 211 Q CA 1.616 57.409 55.803 -0.017 0.000 0.840 211 Q CB 0.082 28.813 28.738 -0.011 0.000 0.898 211 Q HN 0.363 nan 8.270 nan 0.000 0.424 212 Q N 0.209 119.974 119.800 -0.060 0.000 2.079 212 Q HA -0.073 4.268 4.340 0.001 0.000 0.200 212 Q C 2.408 178.302 176.000 -0.176 0.000 0.974 212 Q CA 0.918 56.664 55.803 -0.096 0.000 0.840 212 Q CB -0.304 28.383 28.738 -0.085 0.000 0.898 212 Q HN 0.402 nan 8.270 nan 0.000 0.430 213 L N 0.979 122.088 121.223 -0.191 0.000 2.046 213 L HA -0.186 4.155 4.340 0.001 0.000 0.208 213 L C 2.132 178.786 176.870 -0.361 0.000 1.077 213 L CA 0.886 55.498 54.840 -0.380 0.000 0.747 213 L CB -0.467 41.476 42.059 -0.192 0.000 0.896 213 L HN 0.220 nan 8.230 nan 0.000 0.432 214 N N 0.048 118.706 118.700 -0.070 0.000 2.166 214 N HA -0.192 4.548 4.740 0.001 0.000 0.186 214 N C 1.826 177.344 175.510 0.014 0.000 1.019 214 N CA 1.253 54.337 53.050 0.057 0.000 0.856 214 N CB -0.206 38.323 38.487 0.071 0.000 0.993 214 N HN 0.187 nan 8.380 nan 0.000 0.426 215 L N 1.750 122.939 121.223 -0.056 0.000 2.027 215 L HA -0.142 4.199 4.340 0.001 0.000 0.206 215 L C 2.391 179.214 176.870 -0.079 0.000 1.074 215 L CA 1.723 56.534 54.840 -0.048 0.000 0.745 215 L CB -0.832 41.193 42.059 -0.057 0.000 0.898 215 L HN 0.030 nan 8.230 nan 0.000 0.433 216 Q N -0.934 118.737 119.800 -0.215 0.000 2.170 216 Q HA -0.168 4.172 4.340 0.001 0.000 0.203 216 Q C 1.574 177.499 176.000 -0.124 0.000 0.976 216 Q CA 1.955 57.599 55.803 -0.265 0.000 0.858 216 Q CB -0.286 28.154 28.738 -0.496 0.000 0.907 216 Q HN 0.527 nan 8.270 nan 0.000 0.433 217 F N -1.076 118.902 119.950 0.047 0.000 2.749 217 F HA 0.408 4.934 4.527 -0.001 0.000 0.300 217 F C 1.536 177.419 175.800 0.138 0.000 1.103 217 F CA 0.215 58.272 58.000 0.095 0.000 1.342 217 F CB -0.039 39.041 39.000 0.134 0.000 1.098 217 F HN 0.168 nan 8.300 nan 0.000 0.586 218 G N 1.534 110.473 108.800 0.232 0.000 2.198 218 G HA2 -0.233 3.728 3.960 0.001 0.000 0.257 218 G HA3 -0.233 3.728 3.960 0.001 0.000 0.257 218 G C 0.214 175.208 174.900 0.156 0.000 1.042 218 G CA 0.479 45.673 45.100 0.157 0.000 0.791 218 G HN 0.535 nan 8.290 nan 0.000 0.502 219 T N -4.060 110.608 114.554 0.189 0.000 2.926 219 T HA 0.744 5.095 4.350 0.001 0.000 0.289 219 T C 1.051 175.812 174.700 0.101 0.000 1.054 219 T CA -0.603 61.581 62.100 0.141 0.000 1.015 219 T CB 1.876 70.857 68.868 0.188 0.000 1.167 219 T HN 0.106 nan 8.240 nan 0.000 0.526 220 R N 0.202 120.739 120.500 0.062 0.000 2.189 220 R HA 0.248 4.589 4.340 0.001 0.000 0.203 220 R C -0.302 176.029 176.300 0.051 0.000 1.012 220 R CA 0.696 56.824 56.100 0.046 0.000 1.015 220 R CB 0.029 30.344 30.300 0.024 0.000 0.938 220 R HN 0.871 nan 8.270 nan 0.000 0.472 221 D N -2.032 118.402 120.400 0.057 0.000 2.626 221 D HA 0.143 4.784 4.640 0.001 0.000 0.278 221 D C -0.099 176.258 176.300 0.096 0.000 1.211 221 D CA -0.764 53.274 54.000 0.063 0.000 0.903 221 D CB 0.676 41.493 40.800 0.029 0.000 1.408 221 D HN -0.191 nan 8.370 nan 0.000 0.454 222 L N 0.877 122.172 121.223 0.120 0.000 2.741 222 L HA 0.227 4.568 4.340 0.001 0.000 0.237 222 L C 1.378 178.296 176.870 0.079 0.000 1.178 222 L CA -0.284 54.681 54.840 0.209 0.000 0.973 222 L CB 0.281 42.494 42.059 0.256 0.000 1.255 222 L HN 0.330 nan 8.230 nan 0.000 0.498 223 V N 0.886 120.795 119.914 -0.009 0.000 2.332 223 V HA -0.242 3.879 4.120 0.001 0.000 0.248 223 V C 2.560 178.589 176.094 -0.108 0.000 1.055 223 V CA 2.366 64.641 62.300 -0.041 0.000 1.038 223 V CB -0.831 30.965 31.823 -0.045 0.000 0.651 223 V HN 0.650 nan 8.190 nan 0.000 0.450 224 G N -1.131 107.518 108.800 -0.251 0.000 2.471 224 G HA2 -0.198 3.762 3.960 0.001 0.000 0.219 224 G HA3 -0.198 3.762 3.960 0.001 0.000 0.219 224 G C 1.198 175.861 174.900 -0.395 0.000 1.125 224 G CA 0.461 45.335 45.100 -0.377 0.000 0.775 224 G HN 0.523 nan 8.290 nan 0.000 0.548 225 F N 0.382 120.289 119.950 -0.072 0.000 2.776 225 F HA 0.331 4.857 4.527 -0.001 0.000 0.300 225 F C 2.023 177.774 175.800 -0.081 0.000 1.116 225 F CA -0.184 57.749 58.000 -0.111 0.000 1.375 225 F CB 0.085 38.979 39.000 -0.177 0.000 1.109 225 F HN 0.219 nan 8.300 nan 0.000 0.585 226 G N 0.656 109.498 108.800 0.070 0.000 2.147 226 G HA2 -0.242 3.719 3.960 0.001 0.000 0.244 226 G HA3 -0.242 3.719 3.960 0.001 0.000 0.244 226 G C 0.654 175.581 174.900 0.046 0.000 1.005 226 G CA 0.526 45.649 45.100 0.039 0.000 0.713 226 G HN 0.668 nan 8.290 nan 0.000 0.515 227 V N -3.241 116.715 119.914 0.070 0.000 3.330 227 V HA 0.585 4.706 4.120 0.001 0.000 0.309 227 V C 1.579 177.706 176.094 0.056 0.000 1.481 227 V CA 1.224 63.554 62.300 0.051 0.000 1.068 227 V CB 0.918 32.760 31.823 0.031 0.000 0.935 227 V HN 0.201 nan 8.190 nan 0.000 0.453 228 E N 2.273 122.508 120.200 0.058 0.000 2.209 228 E HA -0.198 4.153 4.350 0.001 0.000 0.196 228 E C 1.804 178.428 176.600 0.041 0.000 0.993 228 E CA 1.819 58.249 56.400 0.051 0.000 0.819 228 E CB -0.258 29.464 29.700 0.037 0.000 0.745 228 E HN 0.633 nan 8.360 nan 0.000 0.477 229 N N -0.447 118.275 118.700 0.036 0.000 2.494 229 N HA 0.044 4.785 4.740 0.001 0.000 0.182 229 N C -0.625 174.910 175.510 0.043 0.000 1.076 229 N CA 0.927 53.998 53.050 0.034 0.000 0.908 229 N CB 0.421 38.925 38.487 0.028 0.000 0.967 229 N HN 0.157 nan 8.380 nan 0.000 0.449 230 A N 0.800 123.649 122.820 0.048 0.000 3.165 230 A HA 0.357 4.678 4.320 0.001 0.000 0.331 230 A C -1.607 176.021 177.584 0.073 0.000 1.034 230 A CA -1.061 51.013 52.037 0.062 0.000 0.906 230 A CB 0.680 19.714 19.000 0.057 0.000 1.054 230 A HN -0.049 nan 8.150 nan 0.000 0.484 231 P HA -0.203 nan 4.420 nan 0.000 0.220 231 P C 1.415 178.798 177.300 0.138 0.000 1.148 231 P CA 0.823 63.976 63.100 0.088 0.000 0.803 231 P CB 0.161 31.913 31.700 0.088 0.000 0.782 232 R N 0.369 120.985 120.500 0.194 0.000 2.092 232 R HA -0.035 4.306 4.340 0.001 0.000 0.231 232 R C 2.462 178.950 176.300 0.314 0.000 1.119 232 R CA 1.766 58.071 56.100 0.341 0.000 0.970 232 R CB -1.064 29.421 30.300 0.309 0.000 0.864 232 R HN 0.131 nan 8.270 nan 0.000 0.440 233 G N 0.895 109.817 108.800 0.202 0.000 2.403 233 G HA2 -0.166 3.795 3.960 0.001 0.000 0.216 233 G HA3 -0.166 3.795 3.960 0.001 0.000 0.216 233 G C 1.464 176.402 174.900 0.064 0.000 1.154 233 G CA 0.287 45.482 45.100 0.159 0.000 0.784 233 G HN 0.210 nan 8.290 nan 0.000 0.538 234 L N 0.222 121.464 121.223 0.031 0.000 2.079 234 L HA -0.158 4.183 4.340 0.001 0.000 0.210 234 L C 3.004 179.826 176.870 -0.080 0.000 1.081 234 L CA 0.764 55.587 54.840 -0.028 0.000 0.752 234 L CB -0.521 41.532 42.059 -0.009 0.000 0.896 234 L HN 0.250 nan 8.230 nan 0.000 0.433 235 C N -0.438 118.798 119.300 -0.106 0.000 2.413 235 C HA -0.187 4.274 4.460 0.001 0.000 0.276 235 C C 3.134 177.942 174.990 -0.304 0.000 1.248 235 C CA 0.808 59.657 59.018 -0.281 0.000 1.742 235 C CB -1.078 26.317 27.740 -0.575 0.000 2.017 235 C HN 0.636 nan 8.230 nan 0.000 0.481 236 A N 0.372 123.121 122.820 -0.119 0.000 1.873 236 A HA 0.107 4.428 4.320 0.001 0.000 0.215 236 A C 2.368 179.883 177.584 -0.115 0.000 1.186 236 A CA 1.987 54.009 52.037 -0.025 0.000 0.616 236 A CB -0.930 18.187 19.000 0.195 0.000 0.823 236 A HN 0.567 nan 8.150 nan 0.000 0.442 237 A N -0.411 122.377 122.820 -0.055 0.000 1.933 237 A HA 0.130 4.451 4.320 0.001 0.000 0.218 237 A C 2.395 179.978 177.584 -0.002 0.000 1.175 237 A CA 1.897 53.956 52.037 0.035 0.000 0.628 237 A CB -1.382 17.557 19.000 -0.102 0.000 0.814 237 A HN 0.719 nan 8.150 nan 0.000 0.444 238 G N -0.891 107.832 108.800 -0.128 0.000 2.446 238 G HA2 -0.352 3.609 3.960 0.001 0.000 0.217 238 G HA3 -0.352 3.609 3.960 0.001 0.000 0.217 238 G C 1.828 176.571 174.900 -0.261 0.000 1.168 238 G CA 1.343 46.341 45.100 -0.170 0.000 0.771 238 G HN 0.638 nan 8.290 nan 0.000 0.551 239 C N -0.028 118.982 119.300 -0.483 0.000 2.429 239 C HA 0.099 4.560 4.460 0.001 0.000 0.277 239 C C 2.760 177.550 174.990 -0.332 0.000 1.262 239 C CA 1.053 59.685 59.018 -0.643 0.000 1.733 239 C CB -1.126 25.798 27.740 -1.360 0.000 2.010 239 C HN 0.438 nan 8.230 nan 0.000 0.483 240 L N 0.301 121.387 121.223 -0.228 0.000 1.994 240 L HA -0.099 4.242 4.340 0.001 0.000 0.208 240 L C 2.482 179.301 176.870 -0.084 0.000 1.071 240 L CA 1.921 56.689 54.840 -0.121 0.000 0.745 240 L CB -0.606 41.415 42.059 -0.064 0.000 0.892 240 L HN 0.435 nan 8.230 nan 0.000 0.431 241 L N -0.226 120.957 121.223 -0.066 0.000 2.042 241 L HA -0.283 4.058 4.340 0.001 0.000 0.210 241 L C 2.431 179.249 176.870 -0.087 0.000 1.076 241 L CA 1.823 56.606 54.840 -0.095 0.000 0.749 241 L CB -0.557 41.479 42.059 -0.037 0.000 0.893 241 L HN 0.335 nan 8.230 nan 0.000 0.432 242 Q N -2.068 117.686 119.800 -0.076 0.000 2.084 242 Q HA -0.246 4.095 4.340 0.001 0.000 0.202 242 Q C 2.111 178.097 176.000 -0.023 0.000 0.978 242 Q CA 2.184 57.956 55.803 -0.052 0.000 0.844 242 Q CB -0.444 28.261 28.738 -0.056 0.000 0.898 242 Q HN 0.637 nan 8.270 nan 0.000 0.426 243 Y N 0.229 120.442 120.300 -0.145 0.000 2.145 243 Y HA -0.247 4.303 4.550 0.002 0.000 0.286 243 Y C 2.076 177.912 175.900 -0.108 0.000 1.145 243 Y CA 1.447 59.473 58.100 -0.123 0.000 1.148 243 Y CB -0.471 37.906 38.460 -0.138 0.000 0.981 243 Y HN 0.136 nan 8.280 nan 0.000 0.507 244 A N 0.079 122.877 122.820 -0.037 0.000 1.902 244 A HA -0.210 4.111 4.320 0.001 0.000 0.217 244 A C 2.189 179.687 177.584 -0.142 0.000 1.181 244 A CA 2.033 54.002 52.037 -0.113 0.000 0.623 244 A CB -0.533 18.383 19.000 -0.140 0.000 0.818 244 A HN 0.511 nan 8.150 nan 0.000 0.443 245 K N -0.760 119.567 120.400 -0.121 0.000 2.097 245 K HA -0.136 4.185 4.320 0.001 0.000 0.205 245 K C 1.712 178.246 176.600 -0.110 0.000 1.050 245 K CA 1.330 57.557 56.287 -0.101 0.000 0.938 245 K CB -0.173 32.279 32.500 -0.081 0.000 0.718 245 K HN 0.486 nan 8.250 nan 0.000 0.442 246 D N 0.140 120.456 120.400 -0.140 0.000 2.178 246 D HA -0.120 4.521 4.640 0.001 0.000 0.202 246 D C 1.817 177.997 176.300 -0.199 0.000 0.974 246 D CA 1.547 55.459 54.000 -0.148 0.000 0.841 246 D CB 0.147 40.855 40.800 -0.154 0.000 0.953 246 D HN 0.275 nan 8.370 nan 0.000 0.478 247 T N -2.907 111.473 114.554 -0.290 0.000 2.978 247 T HA -0.028 4.323 4.350 0.001 0.000 0.262 247 T C 1.695 176.296 174.700 -0.165 0.000 1.063 247 T CA 0.439 62.374 62.100 -0.274 0.000 1.140 247 T CB 0.000 68.655 68.868 -0.355 0.000 0.886 247 T HN -0.015 nan 8.240 nan 0.000 0.470 248 Q N 1.045 120.767 119.800 -0.130 0.000 2.259 248 Q HA 0.260 4.601 4.340 0.001 0.000 0.201 248 Q C 0.795 176.752 176.000 -0.072 0.000 0.938 248 Q CA 0.271 56.020 55.803 -0.090 0.000 0.872 248 Q CB -0.170 28.527 28.738 -0.068 0.000 0.971 248 Q HN 0.614 nan 8.270 nan 0.000 0.494 249 R N 1.268 121.727 120.500 -0.069 0.000 3.405 249 R HA -0.146 4.195 4.340 0.001 0.000 0.258 249 R C -0.215 176.061 176.300 -0.041 0.000 1.030 249 R CA 0.978 57.049 56.100 -0.049 0.000 0.691 249 R CB -2.520 27.757 30.300 -0.038 0.000 1.093 249 R HN 0.516 nan 8.270 nan 0.000 0.448 250 T N -5.109 109.419 114.554 -0.044 0.000 2.754 250 T HA 0.465 4.816 4.350 0.001 0.000 0.296 250 T C 0.332 175.012 174.700 -0.033 0.000 1.205 250 T CA -0.385 61.691 62.100 -0.040 0.000 1.009 250 T CB 1.851 70.688 68.868 -0.053 0.000 1.368 250 T HN 0.150 nan 8.240 nan 0.000 0.509 251 T N 0.003 114.540 114.554 -0.028 0.000 2.860 251 T HA 0.550 4.901 4.350 0.001 0.000 0.299 251 T C 0.177 174.884 174.700 0.011 0.000 1.045 251 T CA -0.800 61.292 62.100 -0.013 0.000 1.071 251 T CB -0.041 68.823 68.868 -0.008 0.000 0.985 251 T HN 0.602 nan 8.240 nan 0.000 0.537 252 L N 2.538 123.782 121.223 0.034 0.000 2.637 252 L HA 0.297 4.638 4.340 0.001 0.000 0.241 252 L C -1.609 175.352 176.870 0.152 0.000 1.398 252 L CA -1.819 53.092 54.840 0.119 0.000 0.895 252 L CB 1.373 43.440 42.059 0.014 0.000 1.183 252 L HN 0.542 nan 8.230 nan 0.000 0.497 253 P HA -0.169 nan 4.420 nan 0.000 0.230 253 P C 0.976 178.385 177.300 0.182 0.000 1.158 253 P CA 1.185 64.365 63.100 0.134 0.000 0.769 253 P CB -0.069 31.682 31.700 0.085 0.000 0.807 254 H N -0.976 118.102 119.070 0.015 0.000 2.551 254 H HA 0.192 4.750 4.556 0.002 0.000 0.266 254 H C 0.652 176.006 175.328 0.044 0.000 0.977 254 H CA -0.317 55.746 56.048 0.024 0.000 1.163 254 H CB -0.888 28.876 29.762 0.003 0.000 1.381 254 H HN 0.158 nan 8.280 nan 0.000 0.581 255 I N 3.503 123.930 120.570 -0.238 0.000 2.316 255 I HA 0.179 4.349 4.170 0.001 0.000 0.286 255 I C 1.137 177.349 176.117 0.159 0.000 1.107 255 I CA -0.233 60.994 61.300 -0.123 0.000 1.219 255 I CB 0.457 38.327 38.000 -0.217 0.000 1.455 255 I HN 0.217 nan 8.210 nan 0.000 0.498 256 R N 2.395 122.970 120.500 0.124 0.000 2.437 256 R HA 0.377 4.718 4.340 0.001 0.000 0.257 256 R C 0.204 176.363 176.300 -0.234 0.000 0.927 256 R CA -0.191 55.993 56.100 0.140 0.000 1.078 256 R CB 0.787 31.149 30.300 0.104 0.000 1.161 256 R HN 0.385 nan 8.270 nan 0.000 0.529 257 S N 0.042 115.444 115.700 -0.496 0.000 2.588 257 S HA 0.587 5.058 4.470 0.001 0.000 0.269 257 S C -1.840 172.247 174.600 -0.855 0.000 1.157 257 S CA -0.796 56.774 58.200 -1.050 0.000 0.824 257 S CB 1.771 64.746 63.200 -0.373 0.000 1.126 257 S HN 0.293 nan 8.310 nan 0.000 0.464 258 I N 1.798 121.747 120.570 -1.034 0.000 2.722 258 I HA 0.631 4.802 4.170 0.001 0.000 0.295 258 I C -1.313 174.603 176.117 -0.336 0.000 1.161 258 I CA -0.062 60.891 61.300 -0.578 0.000 1.032 258 I CB 2.309 39.856 38.000 -0.755 0.000 1.244 258 I HN 0.644 nan 8.210 nan 0.000 0.421 259 T N 7.363 121.811 114.554 -0.176 0.000 2.876 259 T HA 0.429 4.780 4.350 0.001 0.000 0.289 259 T C -0.613 174.056 174.700 -0.051 0.000 1.014 259 T CA -0.459 61.598 62.100 -0.072 0.000 0.986 259 T CB 1.617 70.470 68.868 -0.024 0.000 1.021 259 T HN 0.635 nan 8.240 nan 0.000 0.458 260 M N 2.690 122.277 119.600 -0.021 0.000 2.180 260 M HA 0.383 4.864 4.480 0.001 0.000 0.358 260 M C -0.485 175.823 176.300 0.014 0.000 1.233 260 M CA -0.006 55.293 55.300 -0.001 0.000 1.114 260 M CB 0.581 33.187 32.600 0.010 0.000 1.594 260 M HN 0.466 nan 8.290 nan 0.000 0.467 261 E N 5.281 125.499 120.200 0.030 0.000 2.055 261 E HA 0.313 4.664 4.350 0.001 0.000 0.274 261 E C -1.027 175.594 176.600 0.035 0.000 0.949 261 E CA -0.417 56.004 56.400 0.034 0.000 0.775 261 E CB 0.982 30.714 29.700 0.053 0.000 1.097 261 E HN 0.652 nan 8.360 nan 0.000 0.404 262 R N 2.242 122.753 120.500 0.018 0.000 2.457 262 R HA 0.177 4.518 4.340 0.001 0.000 0.284 262 R C 0.821 177.123 176.300 0.003 0.000 1.024 262 R CA -0.527 55.581 56.100 0.014 0.000 1.025 262 R CB 1.194 31.495 30.300 0.003 0.000 1.063 262 R HN 0.542 nan 8.270 nan 0.000 0.493 263 E N 1.580 121.783 120.200 0.004 0.000 2.065 263 E HA -0.307 4.044 4.350 0.001 0.000 0.201 263 E C 1.528 178.110 176.600 -0.030 0.000 1.016 263 E CA 1.818 58.213 56.400 -0.009 0.000 0.818 263 E CB 0.058 29.756 29.700 -0.004 0.000 0.749 263 E HN 0.488 nan 8.360 nan 0.000 0.453 264 Q N 0.767 120.547 119.800 -0.034 0.000 2.297 264 Q HA -0.148 4.192 4.340 0.001 0.000 0.208 264 Q C 1.342 177.307 176.000 -0.059 0.000 0.981 264 Q CA 1.205 56.977 55.803 -0.052 0.000 0.876 264 Q CB 0.018 28.726 28.738 -0.050 0.000 0.921 264 Q HN 0.235 nan 8.270 nan 0.000 0.446 265 D N -0.210 120.162 120.400 -0.046 0.000 2.347 265 D HA 0.025 4.665 4.640 0.001 0.000 0.213 265 D C 0.059 176.322 176.300 -0.062 0.000 0.985 265 D CA 0.638 54.608 54.000 -0.050 0.000 0.879 265 D CB 0.266 41.046 40.800 -0.035 0.000 0.919 265 D HN 0.278 nan 8.370 nan 0.000 0.526 266 S N -0.704 114.957 115.700 -0.064 0.000 2.564 266 S HA 0.484 4.955 4.470 0.001 0.000 0.274 266 S C -0.368 174.172 174.600 -0.100 0.000 1.124 266 S CA -0.936 57.220 58.200 -0.074 0.000 0.869 266 S CB 1.717 64.893 63.200 -0.039 0.000 1.105 266 S HN -0.033 nan 8.310 nan 0.000 0.472 267 I N 1.964 122.456 120.570 -0.129 0.000 2.581 267 I HA 0.105 4.276 4.170 0.001 0.000 0.285 267 I C -0.323 175.726 176.117 -0.113 0.000 1.129 267 I CA -0.011 61.198 61.300 -0.151 0.000 1.397 267 I CB 0.045 37.939 38.000 -0.176 0.000 1.399 267 I HN 0.535 nan 8.210 nan 0.000 0.537 268 I N 7.995 128.485 120.570 -0.132 0.000 2.363 268 I HA 0.152 4.322 4.170 0.001 0.000 0.292 268 I C 0.168 176.163 176.117 -0.202 0.000 1.075 268 I CA 0.224 61.442 61.300 -0.138 0.000 1.333 268 I CB 0.238 38.157 38.000 -0.135 0.000 1.415 268 I HN 0.449 nan 8.210 nan 0.000 0.502 269 M N 6.096 125.613 119.600 -0.139 0.000 2.129 269 M HA 0.239 4.720 4.480 0.001 0.000 0.348 269 M C -0.291 175.933 176.300 -0.128 0.000 1.116 269 M CA -1.004 54.210 55.300 -0.144 0.000 1.022 269 M CB 1.132 33.695 32.600 -0.062 0.000 1.599 269 M HN 0.499 nan 8.290 nan 0.000 0.449 270 D N 2.603 122.902 120.400 -0.168 0.000 2.363 270 D HA 0.189 4.830 4.640 0.001 0.000 0.240 270 D C 0.931 177.210 176.300 -0.035 0.000 1.236 270 D CA -0.346 53.602 54.000 -0.087 0.000 0.927 270 D CB 0.652 41.429 40.800 -0.037 0.000 1.150 270 D HN 0.614 nan 8.370 nan 0.000 0.458 271 A N 0.714 123.523 122.820 -0.017 0.000 1.902 271 A HA 0.026 4.347 4.320 0.001 0.000 0.217 271 A C 2.203 179.793 177.584 0.009 0.000 1.181 271 A CA 2.461 54.493 52.037 -0.008 0.000 0.623 271 A CB -1.272 17.720 19.000 -0.015 0.000 0.818 271 A HN 0.732 nan 8.150 nan 0.000 0.443 272 A N -1.194 121.637 122.820 0.018 0.000 1.930 272 A HA -0.062 4.259 4.320 0.001 0.000 0.217 272 A C 2.289 179.888 177.584 0.025 0.000 1.175 272 A CA 2.219 54.271 52.037 0.025 0.000 0.627 272 A CB -1.219 17.802 19.000 0.035 0.000 0.815 272 A HN 0.419 nan 8.150 nan 0.000 0.443 273 T N 0.099 114.664 114.554 0.018 0.000 2.684 273 T HA -0.172 4.178 4.350 0.001 0.000 0.267 273 T C 2.051 176.762 174.700 0.018 0.000 1.036 273 T CA 1.756 63.862 62.100 0.011 0.000 1.148 273 T CB -0.270 68.587 68.868 -0.018 0.000 0.863 273 T HN 0.606 nan 8.240 nan 0.000 0.436 274 R N 1.169 121.685 120.500 0.026 0.000 2.081 274 R HA -0.047 4.294 4.340 0.001 0.000 0.235 274 R C 2.652 178.990 176.300 0.063 0.000 1.131 274 R CA 1.415 57.551 56.100 0.061 0.000 0.960 274 R CB -0.382 29.976 30.300 0.095 0.000 0.856 274 R HN 0.494 nan 8.270 nan 0.000 0.436 275 R N 0.520 121.048 120.500 0.047 0.000 2.193 275 R HA -0.005 4.336 4.340 0.001 0.000 0.213 275 R C 1.432 177.755 176.300 0.039 0.000 1.055 275 R CA 1.672 57.798 56.100 0.044 0.000 0.995 275 R CB -0.265 30.054 30.300 0.032 0.000 0.893 275 R HN 0.119 nan 8.270 nan 0.000 0.459 276 N N 0.513 119.234 118.700 0.035 0.000 2.424 276 N HA 0.072 4.812 4.740 0.001 0.000 0.178 276 N C 1.228 176.765 175.510 0.045 0.000 1.060 276 N CA 0.388 53.460 53.050 0.036 0.000 0.901 276 N CB 0.223 38.728 38.487 0.031 0.000 0.979 276 N HN 0.250 nan 8.380 nan 0.000 0.451 277 L N 0.306 121.552 121.223 0.037 0.000 2.592 277 L HA 0.222 4.563 4.340 0.001 0.000 0.227 277 L C -0.277 176.616 176.870 0.038 0.000 1.127 277 L CA 0.101 54.961 54.840 0.033 0.000 0.884 277 L CB -0.251 41.807 42.059 -0.002 0.000 1.065 277 L HN 0.148 nan 8.230 nan 0.000 0.457 278 E N 0.456 120.682 120.200 0.043 0.000 2.197 278 E HA -0.260 4.091 4.350 0.001 0.000 0.184 278 E C 1.019 177.634 176.600 0.024 0.000 1.439 278 E CA 0.023 56.450 56.400 0.044 0.000 0.688 278 E CB -1.191 28.540 29.700 0.052 0.000 1.090 278 E HN 0.530 nan 8.360 nan 0.000 0.341 279 I N -0.129 120.441 120.570 -0.000 0.000 2.133 279 I HA -0.224 3.947 4.170 0.001 0.000 0.238 279 I C 2.402 178.487 176.117 -0.054 0.000 1.074 279 I CA 2.153 63.400 61.300 -0.088 0.000 1.342 279 I CB -0.266 37.566 38.000 -0.280 0.000 1.053 279 I HN 0.432 nan 8.210 nan 0.000 0.404 280 T N -3.784 110.793 114.554 0.040 0.000 3.058 280 T HA 0.189 4.539 4.350 0.001 0.000 0.278 280 T C 0.323 175.073 174.700 0.082 0.000 0.974 280 T CA -0.392 61.758 62.100 0.083 0.000 0.893 280 T CB 0.380 69.354 68.868 0.177 0.000 1.138 280 T HN 0.225 nan 8.240 nan 0.000 0.529 281 Q N 2.149 121.997 119.800 0.080 0.000 2.285 281 Q HA 0.368 4.709 4.340 0.001 0.000 0.269 281 Q C -0.880 175.149 176.000 0.048 0.000 1.030 281 Q CA -0.826 55.012 55.803 0.059 0.000 0.788 281 Q CB 1.741 30.516 28.738 0.061 0.000 1.266 281 Q HN 0.581 nan 8.270 nan 0.000 0.438 282 N N 3.056 121.777 118.700 0.037 0.000 2.381 282 N HA 0.086 4.827 4.740 0.001 0.000 0.254 282 N C 0.664 176.191 175.510 0.029 0.000 1.264 282 N CA -0.379 52.690 53.050 0.032 0.000 0.942 282 N CB 0.957 39.460 38.487 0.026 0.000 1.190 282 N HN 0.615 nan 8.380 nan 0.000 0.495 283 L N -0.468 120.770 121.223 0.025 0.000 2.265 283 L HA -0.111 4.230 4.340 0.001 0.000 0.215 283 L C 2.139 179.019 176.870 0.017 0.000 1.117 283 L CA 1.098 55.951 54.840 0.022 0.000 0.782 283 L CB -0.387 41.684 42.059 0.019 0.000 0.914 283 L HN 0.749 nan 8.230 nan 0.000 0.441 284 A N -0.683 122.146 122.820 0.016 0.000 2.337 284 A HA 0.404 4.725 4.320 0.001 0.000 0.227 284 A C 1.711 179.303 177.584 0.014 0.000 1.259 284 A CA 0.574 52.619 52.037 0.013 0.000 0.870 284 A CB -0.348 18.659 19.000 0.011 0.000 0.927 284 A HN 0.480 nan 8.150 nan 0.000 0.497 285 G N -1.725 107.085 108.800 0.017 0.000 2.179 285 G HA2 -0.105 3.856 3.960 0.001 0.000 0.260 285 G HA3 -0.105 3.856 3.960 0.001 0.000 0.260 285 G C 0.782 175.692 174.900 0.018 0.000 0.977 285 G CA 0.373 45.483 45.100 0.017 0.000 0.641 285 G HN 1.393 nan 8.290 nan 0.000 0.533 286 G N -1.200 107.611 108.800 0.018 0.000 2.535 286 G HA2 0.706 4.666 3.960 0.001 0.000 0.303 286 G HA3 0.706 4.666 3.960 0.001 0.000 0.303 286 G C 0.987 175.900 174.900 0.021 0.000 1.237 286 G CA 0.488 45.598 45.100 0.017 0.000 0.986 286 G HN 1.250 nan 8.290 nan 0.000 0.494 287 A N -0.800 122.032 122.820 0.019 0.000 2.220 287 A HA 0.339 4.659 4.320 0.001 0.000 0.211 287 A C 0.782 178.378 177.584 0.020 0.000 1.176 287 A CA 0.207 52.257 52.037 0.022 0.000 0.834 287 A CB -0.086 18.925 19.000 0.019 0.000 0.868 287 A HN 0.592 nan 8.150 nan 0.000 0.488 288 E N 1.600 121.810 120.200 0.017 0.000 2.373 288 E HA 0.282 4.633 4.350 0.001 0.000 0.267 288 E C -0.250 176.361 176.600 0.019 0.000 1.032 288 E CA -0.234 56.176 56.400 0.015 0.000 0.889 288 E CB 0.070 29.777 29.700 0.012 0.000 0.984 288 E HN 0.281 nan 8.360 nan 0.000 0.425 289 N N 0.775 119.487 118.700 0.019 0.000 2.727 289 N HA -0.156 4.585 4.740 0.001 0.000 0.251 289 N C -0.769 174.761 175.510 0.034 0.000 1.040 289 N CA 1.334 54.399 53.050 0.024 0.000 0.712 289 N CB -1.898 36.599 38.487 0.017 0.000 0.912 289 N HN 0.722 nan 8.380 nan 0.000 0.545 290 T N -3.808 110.766 114.554 0.034 0.000 2.905 290 T HA 0.598 4.949 4.350 0.001 0.000 0.283 290 T C 1.290 176.010 174.700 0.034 0.000 1.031 290 T CA -0.937 61.184 62.100 0.036 0.000 1.002 290 T CB 1.490 70.376 68.868 0.029 0.000 1.200 290 T HN -0.020 nan 8.240 nan 0.000 0.560 291 L N 1.028 122.262 121.223 0.019 0.000 2.056 291 L HA 0.223 4.564 4.340 0.001 0.000 0.207 291 L C 2.728 179.604 176.870 0.011 0.000 1.078 291 L CA 2.366 57.210 54.840 0.007 0.000 0.749 291 L CB -1.544 40.498 42.059 -0.027 0.000 0.901 291 L HN 0.907 nan 8.230 nan 0.000 0.433 292 A N -0.876 121.945 122.820 0.002 0.000 1.930 292 A HA -0.196 4.125 4.320 0.001 0.000 0.217 292 A C 2.485 180.076 177.584 0.011 0.000 1.175 292 A CA 1.880 53.920 52.037 0.005 0.000 0.627 292 A CB -1.125 17.879 19.000 0.006 0.000 0.815 292 A HN 0.658 nan 8.150 nan 0.000 0.443 293 S N -0.399 115.311 115.700 0.016 0.000 2.400 293 S HA -0.127 4.344 4.470 0.001 0.000 0.232 293 S C 1.690 176.298 174.600 0.014 0.000 1.025 293 S CA 1.659 59.868 58.200 0.014 0.000 0.993 293 S CB -0.724 62.486 63.200 0.017 0.000 0.808 293 S HN 0.260 nan 8.310 nan 0.000 0.478 294 V N 1.289 121.216 119.914 0.022 0.000 2.500 294 V HA 0.158 4.279 4.120 0.001 0.000 0.243 294 V C 2.403 178.511 176.094 0.024 0.000 1.039 294 V CA 1.213 63.528 62.300 0.025 0.000 1.053 294 V CB -0.570 31.280 31.823 0.045 0.000 0.695 294 V HN 0.448 nan 8.190 nan 0.000 0.463 295 L N -0.311 120.931 121.223 0.033 0.000 2.375 295 L HA 0.131 4.472 4.340 0.001 0.000 0.215 295 L C 0.807 177.681 176.870 0.008 0.000 1.108 295 L CA 0.432 55.294 54.840 0.036 0.000 0.830 295 L CB -0.055 42.041 42.059 0.061 0.000 0.959 295 L HN 0.292 nan 8.230 nan 0.000 0.457 296 D N -0.234 120.165 120.400 -0.001 0.000 2.453 296 D HA 0.107 4.748 4.640 0.001 0.000 0.223 296 D C -0.203 176.087 176.300 -0.018 0.000 1.183 296 D CA -0.117 53.873 54.000 -0.016 0.000 0.933 296 D CB 0.443 41.233 40.800 -0.015 0.000 1.038 296 D HN 0.050 nan 8.370 nan 0.000 0.513 297 C N 3.441 122.727 119.300 -0.023 0.000 2.741 297 C HA 0.215 4.676 4.460 0.001 0.000 0.267 297 C C 0.801 175.775 174.990 -0.027 0.000 1.549 297 C CA -0.533 58.472 59.018 -0.022 0.000 1.772 297 C CB -1.537 26.191 27.740 -0.020 0.000 2.962 297 C HN 0.625 nan 8.230 nan 0.000 0.514 298 T N -1.040 113.492 114.554 -0.037 0.000 2.855 298 T HA 0.254 4.604 4.350 0.001 0.000 0.314 298 T C 1.040 175.722 174.700 -0.030 0.000 1.077 298 T CA 0.283 62.357 62.100 -0.044 0.000 1.095 298 T CB 1.106 69.936 68.868 -0.065 0.000 0.987 298 T HN 0.558 nan 8.240 nan 0.000 0.546 299 V N -2.306 117.592 119.914 -0.026 0.000 3.578 299 V HA 0.388 4.508 4.120 0.001 0.000 0.290 299 V C 0.623 176.709 176.094 -0.014 0.000 1.376 299 V CA -0.021 62.270 62.300 -0.016 0.000 1.083 299 V CB -0.157 31.661 31.823 -0.008 0.000 0.911 299 V HN 0.958 nan 8.190 nan 0.000 0.433 300 T N 1.389 115.930 114.554 -0.021 0.000 2.863 300 T HA 0.571 4.922 4.350 0.001 0.000 0.285 300 T C -2.185 172.500 174.700 -0.024 0.000 1.009 300 T CA -1.037 61.052 62.100 -0.018 0.000 0.989 300 T CB 2.207 71.065 68.868 -0.017 0.000 1.004 300 T HN 0.079 nan 8.240 nan 0.000 0.455 301 P HA -0.077 nan 4.420 nan 0.000 0.216 301 P C 1.752 179.038 177.300 -0.024 0.000 1.153 301 P CA 1.253 64.341 63.100 -0.020 0.000 0.848 301 P CB -0.104 31.587 31.700 -0.015 0.000 0.787 302 M N -2.354 117.233 119.600 -0.022 0.000 2.213 302 M HA 0.047 4.528 4.480 0.001 0.000 0.263 302 M C 2.077 178.348 176.300 -0.048 0.000 1.062 302 M CA 2.335 57.622 55.300 -0.022 0.000 1.105 302 M CB -1.732 30.862 32.600 -0.010 0.000 1.385 302 M HN -0.175 nan 8.290 nan 0.000 0.417 303 G N 0.301 109.064 108.800 -0.062 0.000 2.394 303 G HA2 -0.178 3.783 3.960 0.001 0.000 0.215 303 G HA3 -0.178 3.783 3.960 0.001 0.000 0.215 303 G C 1.591 176.416 174.900 -0.124 0.000 1.165 303 G CA 0.951 45.987 45.100 -0.107 0.000 0.784 303 G HN 0.527 nan 8.290 nan 0.000 0.535 304 S N 0.019 115.672 115.700 -0.078 0.000 2.356 304 S HA -0.094 4.377 4.470 0.001 0.000 0.223 304 S C 2.468 177.032 174.600 -0.059 0.000 1.032 304 S CA 1.370 59.531 58.200 -0.065 0.000 1.005 304 S CB -0.240 62.938 63.200 -0.036 0.000 0.867 304 S HN 0.411 nan 8.310 nan 0.000 0.449 305 R N 0.083 120.557 120.500 -0.044 0.000 2.083 305 R HA -0.070 4.270 4.340 0.001 0.000 0.237 305 R C 2.591 178.868 176.300 -0.040 0.000 1.137 305 R CA 1.952 58.039 56.100 -0.022 0.000 0.951 305 R CB -0.400 29.895 30.300 -0.008 0.000 0.851 305 R HN 0.499 nan 8.270 nan 0.000 0.434 306 M N 0.467 120.005 119.600 -0.104 0.000 2.117 306 M HA -0.173 4.308 4.480 0.001 0.000 0.262 306 M C 2.075 178.162 176.300 -0.355 0.000 1.065 306 M CA 1.399 56.584 55.300 -0.192 0.000 1.114 306 M CB -0.050 32.384 32.600 -0.276 0.000 1.361 306 M HN 0.174 nan 8.290 nan 0.000 0.408 307 L N 0.655 121.670 121.223 -0.346 0.000 2.046 307 L HA -0.187 4.154 4.340 0.001 0.000 0.208 307 L C 2.005 178.839 176.870 -0.059 0.000 1.077 307 L CA 1.955 56.614 54.840 -0.301 0.000 0.747 307 L CB -0.613 41.322 42.059 -0.207 0.000 0.896 307 L HN 0.207 nan 8.230 nan 0.000 0.432 308 K N -0.883 119.512 120.400 -0.007 0.000 2.148 308 K HA -0.112 4.209 4.320 0.001 0.000 0.204 308 K C 2.200 178.915 176.600 0.193 0.000 1.050 308 K CA 1.203 57.542 56.287 0.087 0.000 0.942 308 K CB -0.137 32.423 32.500 0.099 0.000 0.724 308 K HN 0.342 nan 8.250 nan 0.000 0.446 309 R N -0.247 120.358 120.500 0.175 0.000 2.081 309 R HA -0.140 4.201 4.340 0.001 0.000 0.235 309 R C 2.009 178.529 176.300 0.367 0.000 1.131 309 R CA 1.394 57.648 56.100 0.256 0.000 0.960 309 R CB -0.154 30.284 30.300 0.230 0.000 0.856 309 R HN 0.289 nan 8.270 nan 0.000 0.436 310 W N 0.600 121.943 121.300 0.072 0.000 2.388 310 W HA -0.080 4.581 4.660 0.003 0.000 0.294 310 W C 1.840 178.385 176.519 0.044 0.000 1.212 310 W CA 0.305 57.685 57.345 0.059 0.000 1.271 310 W CB -0.794 28.696 29.460 0.051 0.000 1.126 310 W HN 0.034 nan 8.180 nan 0.000 0.535 311 L N -0.917 120.451 121.223 0.241 0.000 2.083 311 L HA -0.191 4.150 4.340 0.001 0.000 0.209 311 L C 1.996 178.851 176.870 -0.025 0.000 1.083 311 L CA 1.858 56.733 54.840 0.059 0.000 0.752 311 L CB -1.739 40.284 42.059 -0.060 0.000 0.899 311 L HN 0.114 nan 8.230 nan 0.000 0.433 312 H N -2.773 116.361 119.070 0.107 0.000 2.535 312 H HA 0.162 4.719 4.556 0.001 0.000 0.273 312 H C 0.911 176.275 175.328 0.060 0.000 0.983 312 H CA 0.301 56.391 56.048 0.069 0.000 1.238 312 H CB 0.314 30.114 29.762 0.063 0.000 1.412 312 H HN 0.115 nan 8.280 nan 0.000 0.562 313 M N 1.638 121.346 119.600 0.180 0.000 2.236 313 M HA 0.287 4.768 4.480 0.001 0.000 0.228 313 M C -2.781 173.549 176.300 0.051 0.000 0.906 313 M CA -2.185 53.177 55.300 0.104 0.000 0.761 313 M CB 1.268 33.931 32.600 0.104 0.000 1.439 313 M HN -0.205 nan 8.290 nan 0.000 0.394 314 P HA 0.110 nan 4.420 nan 0.000 0.268 314 P C -0.845 176.447 177.300 -0.013 0.000 1.204 314 P CA -0.174 62.948 63.100 0.036 0.000 0.768 314 P CB 0.723 32.462 31.700 0.064 0.000 0.842 315 V N 4.795 124.698 119.914 -0.019 0.000 2.617 315 V HA 0.296 4.416 4.120 0.001 0.000 0.298 315 V C 1.462 177.548 176.094 -0.014 0.000 1.048 315 V CA -0.339 61.928 62.300 -0.055 0.000 0.964 315 V CB 1.320 33.072 31.823 -0.118 0.000 1.004 315 V HN 0.478 nan 8.190 nan 0.000 0.466 316 R N 0.908 121.367 120.500 -0.069 0.000 2.427 316 R HA 0.172 4.513 4.340 0.001 0.000 0.262 316 R C -0.143 176.116 176.300 -0.068 0.000 0.943 316 R CA -0.240 55.810 56.100 -0.082 0.000 1.081 316 R CB 0.228 30.451 30.300 -0.129 0.000 1.166 316 R HN 0.674 nan 8.270 nan 0.000 0.534 317 D N 0.702 121.056 120.400 -0.076 0.000 2.380 317 D HA 0.056 4.697 4.640 0.001 0.000 0.230 317 D C 0.623 176.851 176.300 -0.120 0.000 1.154 317 D CA 0.088 54.037 54.000 -0.085 0.000 0.859 317 D CB 1.417 42.171 40.800 -0.077 0.000 1.045 317 D HN -0.088 nan 8.370 nan 0.000 0.495 318 T N 3.509 117.977 114.554 -0.143 0.000 2.699 318 T HA -0.216 4.135 4.350 0.001 0.000 0.268 318 T C 1.827 176.450 174.700 -0.128 0.000 1.036 318 T CA 1.196 63.168 62.100 -0.213 0.000 1.147 318 T CB 0.064 68.835 68.868 -0.161 0.000 0.862 318 T HN 0.434 nan 8.240 nan 0.000 0.446 319 R N 0.286 120.740 120.500 -0.075 0.000 2.070 319 R HA -0.088 4.252 4.340 0.001 0.000 0.233 319 R C 2.418 178.694 176.300 -0.040 0.000 1.137 319 R CA 1.346 57.421 56.100 -0.041 0.000 0.945 319 R CB -0.620 29.662 30.300 -0.031 0.000 0.845 319 R HN 0.218 nan 8.270 nan 0.000 0.430 320 V N 1.386 121.263 119.914 -0.061 0.000 2.324 320 V HA -0.290 3.830 4.120 0.001 0.000 0.250 320 V C 2.316 178.372 176.094 -0.064 0.000 1.060 320 V CA 1.856 64.113 62.300 -0.072 0.000 1.042 320 V CB -0.414 31.343 31.823 -0.111 0.000 0.650 320 V HN 0.351 nan 8.190 nan 0.000 0.450 321 L N -1.039 120.140 121.223 -0.074 0.000 2.056 321 L HA -0.166 4.174 4.340 0.001 0.000 0.207 321 L C 2.380 179.296 176.870 0.077 0.000 1.078 321 L CA 1.446 56.271 54.840 -0.025 0.000 0.749 321 L CB -0.505 41.469 42.059 -0.142 0.000 0.901 321 L HN 0.288 nan 8.230 nan 0.000 0.433 322 L N -0.591 120.674 121.223 0.069 0.000 2.046 322 L HA -0.193 4.148 4.340 0.001 0.000 0.208 322 L C 2.606 179.525 176.870 0.082 0.000 1.077 322 L CA 1.277 56.180 54.840 0.105 0.000 0.747 322 L CB -0.582 41.526 42.059 0.081 0.000 0.896 322 L HN 0.311 nan 8.230 nan 0.000 0.432 323 E N 0.078 120.308 120.200 0.050 0.000 2.077 323 E HA -0.220 4.130 4.350 0.001 0.000 0.193 323 E C 2.334 178.976 176.600 0.070 0.000 0.989 323 E CA 1.002 57.431 56.400 0.048 0.000 0.800 323 E CB -0.102 29.613 29.700 0.026 0.000 0.746 323 E HN 0.460 nan 8.360 nan 0.000 0.452 324 R N 0.853 121.397 120.500 0.073 0.000 2.075 324 R HA -0.136 4.204 4.340 0.001 0.000 0.232 324 R C 2.488 178.879 176.300 0.151 0.000 1.126 324 R CA 1.362 57.530 56.100 0.113 0.000 0.963 324 R CB -0.170 30.183 30.300 0.089 0.000 0.858 324 R HN 0.224 nan 8.270 nan 0.000 0.435 325 Q N 0.446 120.353 119.800 0.178 0.000 2.061 325 Q HA -0.246 4.095 4.340 0.001 0.000 0.204 325 Q C 2.215 178.357 176.000 0.237 0.000 0.984 325 Q CA 1.694 57.661 55.803 0.273 0.000 0.846 325 Q CB -0.084 28.794 28.738 0.233 0.000 0.902 325 Q HN 0.397 nan 8.270 nan 0.000 0.421 326 Q N -0.305 119.586 119.800 0.152 0.000 2.045 326 Q HA -0.183 4.158 4.340 0.001 0.000 0.206 326 Q C 2.212 178.263 176.000 0.086 0.000 0.991 326 Q CA 2.033 57.904 55.803 0.112 0.000 0.851 326 Q CB -0.175 28.608 28.738 0.075 0.000 0.911 326 Q HN 0.358 nan 8.270 nan 0.000 0.418 327 T N 0.972 115.569 114.554 0.072 0.000 2.652 327 T HA -0.168 4.183 4.350 0.001 0.000 0.267 327 T C 1.808 176.521 174.700 0.022 0.000 1.039 327 T CA 1.353 63.478 62.100 0.041 0.000 1.153 327 T CB -0.303 68.599 68.868 0.056 0.000 0.863 327 T HN 0.210 nan 8.240 nan 0.000 0.428 328 I N 1.025 121.608 120.570 0.021 0.000 2.264 328 I HA -0.143 4.027 4.170 0.001 0.000 0.248 328 I C 2.757 178.778 176.117 -0.159 0.000 1.111 328 I CA 1.315 62.555 61.300 -0.101 0.000 1.382 328 I CB -0.512 37.372 38.000 -0.193 0.000 1.060 328 I HN 0.327 nan 8.210 nan 0.000 0.418 329 G N -0.010 108.780 108.800 -0.017 0.000 2.408 329 G HA2 -0.106 3.854 3.960 0.001 0.000 0.215 329 G HA3 -0.106 3.854 3.960 0.001 0.000 0.215 329 G C 1.842 176.777 174.900 0.057 0.000 1.156 329 G CA 0.666 45.808 45.100 0.070 0.000 0.793 329 G HN 0.470 nan 8.290 nan 0.000 0.535 330 A N 0.652 123.501 122.820 0.049 0.000 1.873 330 A HA 0.188 4.509 4.320 0.001 0.000 0.215 330 A C 2.270 179.896 177.584 0.070 0.000 1.186 330 A CA 0.926 52.991 52.037 0.047 0.000 0.616 330 A CB -0.366 18.635 19.000 0.002 0.000 0.823 330 A HN 0.317 nan 8.150 nan 0.000 0.442 331 L N -0.617 120.623 121.223 0.028 0.000 2.554 331 L HA -0.059 4.281 4.340 0.001 0.000 0.226 331 L C 2.480 179.437 176.870 0.144 0.000 1.137 331 L CA 0.596 55.481 54.840 0.074 0.000 0.863 331 L CB -0.381 41.673 42.059 -0.007 0.000 0.985 331 L HN 0.553 nan 8.230 nan 0.000 0.451 332 Q N 0.488 120.319 119.800 0.052 0.000 2.217 332 Q HA -0.257 4.084 4.340 0.001 0.000 0.209 332 Q C 1.216 177.163 176.000 -0.088 0.000 0.988 332 Q CA 1.817 57.596 55.803 -0.041 0.000 0.878 332 Q CB 0.172 28.864 28.738 -0.076 0.000 0.909 332 Q HN 0.472 nan 8.270 nan 0.000 0.424 333 D N -1.109 119.283 120.400 -0.014 0.000 2.348 333 D HA -0.046 4.595 4.640 0.001 0.000 0.211 333 D C 0.428 176.555 176.300 -0.288 0.000 0.998 333 D CA 0.540 54.417 54.000 -0.205 0.000 0.873 333 D CB 0.164 40.791 40.800 -0.289 0.000 0.925 333 D HN 0.277 nan 8.370 nan 0.000 0.524 334 F N 0.304 120.202 119.950 -0.088 0.000 2.727 334 F HA 0.134 4.662 4.527 0.002 0.000 0.302 334 F C 2.200 177.966 175.800 -0.058 0.000 1.097 334 F CA -0.015 57.947 58.000 -0.062 0.000 1.330 334 F CB -0.255 38.718 39.000 -0.045 0.000 1.084 334 F HN -0.223 nan 8.300 nan 0.000 0.578 335 T N 0.738 115.332 114.554 0.067 0.000 2.570 335 T HA -0.332 4.019 4.350 0.001 0.000 0.266 335 T C 2.411 177.120 174.700 0.015 0.000 1.071 335 T CA 2.143 64.258 62.100 0.024 0.000 1.172 335 T CB -0.527 68.331 68.868 -0.017 0.000 0.864 335 T HN 0.342 nan 8.240 nan 0.000 0.421 336 A N 0.708 123.520 122.820 -0.013 0.000 2.024 336 A HA 0.066 4.386 4.320 0.001 0.000 0.220 336 A C 2.482 180.066 177.584 -0.001 0.000 1.164 336 A CA 2.009 54.038 52.037 -0.012 0.000 0.643 336 A CB -1.060 17.921 19.000 -0.032 0.000 0.806 336 A HN 0.572 nan 8.150 nan 0.000 0.451 337 G N -1.168 107.638 108.800 0.010 0.000 2.539 337 G HA2 0.135 4.095 3.960 0.001 0.000 0.215 337 G HA3 0.135 4.095 3.960 0.001 0.000 0.215 337 G C 1.468 176.394 174.900 0.044 0.000 1.141 337 G CA 0.588 45.703 45.100 0.026 0.000 0.806 337 G HN 0.404 nan 8.290 nan 0.000 0.533 338 L N -0.400 120.857 121.223 0.057 0.000 2.168 338 L HA 0.061 4.401 4.340 0.001 0.000 0.203 338 L C 3.060 179.946 176.870 0.026 0.000 1.078 338 L CA 0.503 55.371 54.840 0.047 0.000 0.780 338 L CB -0.292 41.801 42.059 0.056 0.000 0.939 338 L HN 0.185 nan 8.230 nan 0.000 0.451 339 Q N 0.172 119.984 119.800 0.020 0.000 2.061 339 Q HA -0.209 4.132 4.340 0.001 0.000 0.204 339 Q C -0.472 175.535 176.000 0.012 0.000 0.984 339 Q CA 1.727 57.536 55.803 0.011 0.000 0.846 339 Q CB -1.132 27.609 28.738 0.006 0.000 0.902 339 Q HN 0.419 nan 8.270 nan 0.000 0.421 340 P HA -0.119 nan 4.420 nan 0.000 0.218 340 P C 1.295 178.607 177.300 0.020 0.000 1.148 340 P CA 1.091 64.200 63.100 0.016 0.000 0.822 340 P CB 0.067 31.776 31.700 0.014 0.000 0.784 341 V N -1.022 118.902 119.914 0.017 0.000 2.535 341 V HA -0.115 4.006 4.120 0.001 0.000 0.246 341 V C 2.385 178.487 176.094 0.014 0.000 1.045 341 V CA 1.154 63.462 62.300 0.013 0.000 1.058 341 V CB -1.061 30.769 31.823 0.011 0.000 0.689 341 V HN 0.050 nan 8.190 nan 0.000 0.461 342 L N 0.048 121.279 121.223 0.015 0.000 2.046 342 L HA -0.195 4.146 4.340 0.001 0.000 0.208 342 L C 2.739 179.619 176.870 0.017 0.000 1.077 342 L CA 1.860 56.708 54.840 0.014 0.000 0.747 342 L CB -0.587 41.477 42.059 0.007 0.000 0.896 342 L HN 0.280 nan 8.230 nan 0.000 0.432 343 R N -0.120 120.391 120.500 0.017 0.000 2.139 343 R HA -0.215 4.126 4.340 0.001 0.000 0.243 343 R C 2.038 178.361 176.300 0.039 0.000 1.145 343 R CA 1.377 57.489 56.100 0.020 0.000 0.976 343 R CB -0.014 30.297 30.300 0.019 0.000 0.866 343 R HN 0.388 nan 8.270 nan 0.000 0.449 344 Q N -0.216 119.618 119.800 0.057 0.000 2.472 344 Q HA -0.012 4.329 4.340 0.001 0.000 0.208 344 Q C 1.834 177.903 176.000 0.116 0.000 0.958 344 Q CA 0.518 56.391 55.803 0.117 0.000 0.932 344 Q CB 0.551 29.358 28.738 0.114 0.000 1.007 344 Q HN 0.268 nan 8.270 nan 0.000 0.508 345 V N -0.407 119.539 119.914 0.053 0.000 2.788 345 V HA 0.003 4.124 4.120 0.001 0.000 0.251 345 V C 1.421 177.531 176.094 0.026 0.000 1.068 345 V CA 1.158 63.480 62.300 0.036 0.000 1.090 345 V CB -0.718 31.122 31.823 0.029 0.000 0.710 345 V HN 0.534 nan 8.190 nan 0.000 0.467 346 G N 0.784 109.599 108.800 0.025 0.000 2.566 346 G HA2 -0.352 3.609 3.960 0.001 0.000 0.280 346 G HA3 -0.352 3.609 3.960 0.001 0.000 0.280 346 G C 0.007 174.905 174.900 -0.004 0.000 1.225 346 G CA 0.384 45.488 45.100 0.007 0.000 0.966 346 G HN 0.433 nan 8.290 nan 0.000 0.560 347 D N 0.699 121.091 120.400 -0.013 0.000 2.781 347 D HA 0.395 5.035 4.640 0.001 0.000 0.254 347 D C 1.687 177.974 176.300 -0.021 0.000 1.213 347 D CA -0.436 53.555 54.000 -0.015 0.000 0.994 347 D CB 0.325 41.115 40.800 -0.016 0.000 1.019 347 D HN 0.384 nan 8.370 nan 0.000 0.514 348 L N 1.765 122.975 121.223 -0.021 0.000 2.191 348 L HA -0.046 4.295 4.340 0.001 0.000 0.212 348 L C 1.870 178.728 176.870 -0.021 0.000 1.103 348 L CA 1.729 56.548 54.840 -0.036 0.000 0.769 348 L CB -0.295 41.747 42.059 -0.028 0.000 0.908 348 L HN 0.350 nan 8.230 nan 0.000 0.438 349 E N -0.432 119.767 120.200 -0.003 0.000 2.023 349 E HA -0.267 4.084 4.350 0.001 0.000 0.196 349 E C 2.295 178.895 176.600 0.000 0.000 1.003 349 E CA 1.436 57.842 56.400 0.010 0.000 0.809 349 E CB -0.084 29.627 29.700 0.019 0.000 0.755 349 E HN 0.497 nan 8.360 nan 0.000 0.449 350 R N -0.031 120.465 120.500 -0.007 0.000 2.115 350 R HA -0.034 4.307 4.340 0.001 0.000 0.230 350 R C 2.520 178.803 176.300 -0.030 0.000 1.111 350 R CA 1.015 57.106 56.100 -0.015 0.000 0.976 350 R CB -0.199 30.094 30.300 -0.012 0.000 0.870 350 R HN 0.308 nan 8.270 nan 0.000 0.445 351 I N 0.888 121.439 120.570 -0.032 0.000 2.226 351 I HA -0.301 3.870 4.170 0.001 0.000 0.245 351 I C 2.066 178.157 176.117 -0.044 0.000 1.100 351 I CA 1.338 62.615 61.300 -0.037 0.000 1.374 351 I CB -0.163 37.806 38.000 -0.052 0.000 1.057 351 I HN 0.155 nan 8.210 nan 0.000 0.413 352 L N 0.235 121.430 121.223 -0.046 0.000 2.191 352 L HA -0.192 4.149 4.340 0.001 0.000 0.212 352 L C 2.780 179.591 176.870 -0.098 0.000 1.103 352 L CA 1.060 55.871 54.840 -0.048 0.000 0.769 352 L CB -0.683 41.363 42.059 -0.023 0.000 0.908 352 L HN 0.250 nan 8.230 nan 0.000 0.438 353 A N 0.311 123.062 122.820 -0.115 0.000 1.877 353 A HA -0.211 4.109 4.320 0.001 0.000 0.216 353 A C 2.383 179.807 177.584 -0.267 0.000 1.186 353 A CA 1.497 53.385 52.037 -0.248 0.000 0.620 353 A CB -0.439 18.484 19.000 -0.127 0.000 0.822 353 A HN 0.294 nan 8.150 nan 0.000 0.443 354 R N -1.083 119.333 120.500 -0.141 0.000 2.096 354 R HA -0.119 4.222 4.340 0.001 0.000 0.235 354 R C 2.117 178.344 176.300 -0.122 0.000 1.127 354 R CA 1.386 57.421 56.100 -0.108 0.000 0.968 354 R CB -0.540 29.741 30.300 -0.032 0.000 0.861 354 R HN 0.527 nan 8.270 nan 0.000 0.440 355 L N 0.684 121.864 121.223 -0.071 0.000 1.989 355 L HA -0.134 4.206 4.340 0.001 0.000 0.211 355 L C 2.215 178.970 176.870 -0.191 0.000 1.071 355 L CA 2.186 57.009 54.840 -0.029 0.000 0.749 355 L CB -0.776 41.308 42.059 0.042 0.000 0.890 355 L HN 0.130 nan 8.230 nan 0.000 0.431 356 A N -0.527 122.165 122.820 -0.214 0.000 1.940 356 A HA -0.169 4.152 4.320 0.001 0.000 0.219 356 A C 2.242 179.658 177.584 -0.280 0.000 1.176 356 A CA 2.096 53.981 52.037 -0.253 0.000 0.631 356 A CB -0.982 17.768 19.000 -0.415 0.000 0.814 356 A HN 0.539 nan 8.150 nan 0.000 0.446 357 L N -2.442 118.590 121.223 -0.318 0.000 2.478 357 L HA 0.071 4.411 4.340 0.001 0.000 0.223 357 L C 0.882 177.576 176.870 -0.293 0.000 1.140 357 L CA 0.322 55.014 54.840 -0.246 0.000 0.842 357 L CB -0.124 41.815 42.059 -0.199 0.000 0.953 357 L HN 0.406 nan 8.230 nan 0.000 0.452 358 R N -0.643 119.569 120.500 -0.480 0.000 3.418 358 R HA -0.157 4.184 4.340 0.001 0.000 0.274 358 R C 0.326 176.335 176.300 -0.485 0.000 1.108 358 R CA 0.685 56.264 56.100 -0.868 0.000 0.741 358 R CB -2.218 27.686 30.300 -0.659 0.000 1.223 358 R HN 0.191 nan 8.270 nan 0.000 0.434 359 T N -1.541 112.864 114.554 -0.249 0.000 3.058 359 T HA 0.279 4.630 4.350 0.001 0.000 0.278 359 T C 0.412 175.176 174.700 0.106 0.000 0.974 359 T CA 0.406 62.487 62.100 -0.031 0.000 0.893 359 T CB 0.714 69.552 68.868 -0.048 0.000 1.138 359 T HN 0.469 nan 8.240 nan 0.000 0.529 360 A N 2.296 125.223 122.820 0.179 0.000 2.548 360 A HA 0.399 4.720 4.320 0.001 0.000 0.247 360 A C 0.559 178.358 177.584 0.358 0.000 1.067 360 A CA 0.205 52.397 52.037 0.259 0.000 0.757 360 A CB 0.159 19.350 19.000 0.318 0.000 0.996 360 A HN 0.421 nan 8.150 nan 0.000 0.504 361 R N 2.647 123.272 120.500 0.209 0.000 2.549 361 R HA 0.307 4.648 4.340 0.001 0.000 0.259 361 R C -1.715 174.695 176.300 0.183 0.000 1.095 361 R CA -1.710 54.493 56.100 0.172 0.000 1.148 361 R CB 0.121 30.460 30.300 0.066 0.000 1.181 361 R HN 0.407 nan 8.270 nan 0.000 0.571 362 P HA -0.148 nan 4.420 nan 0.000 0.216 362 P C 0.514 177.841 177.300 0.045 0.000 1.153 362 P CA 1.488 64.646 63.100 0.097 0.000 0.858 362 P CB 0.173 31.858 31.700 -0.024 0.000 0.789 363 R N -0.884 119.624 120.500 0.013 0.000 2.280 363 R HA -0.039 4.302 4.340 0.001 0.000 0.207 363 R C 1.414 177.705 176.300 -0.015 0.000 1.043 363 R CA 0.746 56.839 56.100 -0.012 0.000 1.006 363 R CB -0.472 29.814 30.300 -0.025 0.000 0.885 363 R HN 0.273 nan 8.270 nan 0.000 0.467 364 D N 0.773 121.177 120.400 0.008 0.000 2.137 364 D HA -0.069 4.572 4.640 0.001 0.000 0.202 364 D C 1.937 178.215 176.300 -0.037 0.000 0.970 364 D CA 0.918 54.914 54.000 -0.007 0.000 0.837 364 D CB 0.099 40.915 40.800 0.027 0.000 0.981 364 D HN 0.178 nan 8.370 nan 0.000 0.475 365 L N 0.800 122.009 121.223 -0.022 0.000 2.156 365 L HA -0.067 4.274 4.340 0.001 0.000 0.208 365 L C 2.568 179.390 176.870 -0.079 0.000 1.095 365 L CA 0.751 55.548 54.840 -0.072 0.000 0.770 365 L CB -0.400 41.608 42.059 -0.085 0.000 0.914 365 L HN -0.048 nan 8.230 nan 0.000 0.439 366 A N 0.462 123.254 122.820 -0.047 0.000 1.858 366 A HA -0.219 4.102 4.320 0.001 0.000 0.216 366 A C 2.399 179.956 177.584 -0.045 0.000 1.190 366 A CA 1.566 53.579 52.037 -0.041 0.000 0.617 366 A CB -0.486 18.493 19.000 -0.036 0.000 0.827 366 A HN 0.290 nan 8.150 nan 0.000 0.443 367 R N -1.414 119.050 120.500 -0.060 0.000 2.096 367 R HA -0.067 4.274 4.340 0.001 0.000 0.235 367 R C 2.337 178.575 176.300 -0.103 0.000 1.127 367 R CA 1.489 57.559 56.100 -0.051 0.000 0.968 367 R CB -0.356 29.910 30.300 -0.058 0.000 0.861 367 R HN 0.705 nan 8.270 nan 0.000 0.440 368 M N 0.470 119.952 119.600 -0.198 0.000 2.067 368 M HA -0.242 4.239 4.480 0.001 0.000 0.260 368 M C 2.418 178.344 176.300 -0.624 0.000 1.069 368 M CA 1.695 56.734 55.300 -0.435 0.000 1.117 368 M CB -0.132 32.217 32.600 -0.419 0.000 1.334 368 M HN 0.004 nan 8.290 nan 0.000 0.407 369 R N -1.177 119.123 120.500 -0.334 0.000 2.096 369 R HA -0.274 4.066 4.340 0.001 0.000 0.240 369 R C 2.163 178.441 176.300 -0.037 0.000 1.139 369 R CA 2.425 58.442 56.100 -0.138 0.000 0.952 369 R CB -0.657 29.635 30.300 -0.014 0.000 0.854 369 R HN 0.538 nan 8.270 nan 0.000 0.436 370 H N -0.178 118.829 119.070 -0.107 0.000 2.387 370 H HA -0.038 4.518 4.556 0.001 0.000 0.299 370 H C 1.721 177.026 175.328 -0.038 0.000 1.099 370 H CA 1.984 58.002 56.048 -0.050 0.000 1.315 370 H CB -0.097 29.635 29.762 -0.050 0.000 1.380 370 H HN 0.415 nan 8.280 nan 0.000 0.513 371 A N -0.149 122.632 122.820 -0.065 0.000 1.898 371 A HA -0.098 4.223 4.320 0.001 0.000 0.216 371 A C 1.937 179.558 177.584 0.062 0.000 1.181 371 A CA 1.237 53.237 52.037 -0.062 0.000 0.620 371 A CB -0.844 18.088 19.000 -0.114 0.000 0.819 371 A HN 0.413 nan 8.150 nan 0.000 0.442 372 F N 0.603 120.566 119.950 0.022 0.000 2.202 372 F HA -0.158 4.370 4.527 0.001 0.000 0.301 372 F C 2.414 178.217 175.800 0.005 0.000 1.082 372 F CA 1.205 59.237 58.000 0.055 0.000 1.313 372 F CB -0.956 38.083 39.000 0.065 0.000 1.024 372 F HN 0.384 nan 8.300 nan 0.000 0.495 373 Q N -0.409 119.464 119.800 0.121 0.000 2.482 373 Q HA -0.086 4.255 4.340 0.001 0.000 0.209 373 Q C 1.496 177.467 176.000 -0.047 0.000 0.961 373 Q CA 0.415 56.223 55.803 0.008 0.000 0.945 373 Q CB -0.020 28.678 28.738 -0.068 0.000 1.012 373 Q HN 0.439 nan 8.270 nan 0.000 0.515 374 Q N -0.375 119.407 119.800 -0.030 0.000 2.378 374 Q HA 0.115 4.456 4.340 0.001 0.000 0.216 374 Q C 1.953 177.959 176.000 0.011 0.000 0.892 374 Q CA 0.190 55.972 55.803 -0.035 0.000 0.931 374 Q CB 0.406 29.114 28.738 -0.050 0.000 1.086 374 Q HN 0.398 nan 8.270 nan 0.000 0.528 375 L N 1.206 122.459 121.223 0.049 0.000 2.012 375 L HA -0.170 4.171 4.340 0.001 0.000 0.210 375 L C -0.511 176.362 176.870 0.004 0.000 1.073 375 L CA 1.611 56.476 54.840 0.042 0.000 0.748 375 L CB -1.923 40.176 42.059 0.067 0.000 0.891 375 L HN 0.120 nan 8.230 nan 0.000 0.431 376 P HA -0.209 nan 4.420 nan 0.000 0.216 376 P C 1.366 178.661 177.300 -0.010 0.000 1.150 376 P CA 1.327 64.419 63.100 -0.014 0.000 0.837 376 P CB 0.111 31.803 31.700 -0.012 0.000 0.786 377 E N -0.368 119.829 120.200 -0.005 0.000 2.107 377 E HA -0.112 4.239 4.350 0.001 0.000 0.191 377 E C 1.869 178.471 176.600 0.003 0.000 0.982 377 E CA 1.021 57.420 56.400 -0.000 0.000 0.809 377 E CB -1.103 28.596 29.700 -0.002 0.000 0.756 377 E HN 0.118 nan 8.360 nan 0.000 0.459 378 L N -0.110 121.114 121.223 0.002 0.000 2.072 378 L HA -0.050 4.290 4.340 0.001 0.000 0.205 378 L C 2.684 179.546 176.870 -0.012 0.000 1.079 378 L CA 1.170 56.011 54.840 0.001 0.000 0.752 378 L CB -0.328 41.734 42.059 0.006 0.000 0.906 378 L HN 0.074 nan 8.230 nan 0.000 0.436 379 R N -0.018 120.471 120.500 -0.017 0.000 2.091 379 R HA -0.182 4.159 4.340 0.001 0.000 0.238 379 R C 2.415 178.700 176.300 -0.025 0.000 1.136 379 R CA 1.503 57.586 56.100 -0.029 0.000 0.959 379 R CB -0.533 29.744 30.300 -0.037 0.000 0.856 379 R HN 0.372 nan 8.270 nan 0.000 0.437 380 A N 0.936 123.748 122.820 -0.013 0.000 1.855 380 A HA -0.200 4.121 4.320 0.001 0.000 0.215 380 A C 2.060 179.649 177.584 0.007 0.000 1.191 380 A CA 1.166 53.201 52.037 -0.003 0.000 0.613 380 A CB -0.467 18.536 19.000 0.004 0.000 0.829 380 A HN 0.310 nan 8.150 nan 0.000 0.442 381 Q N -0.728 119.083 119.800 0.018 0.000 2.181 381 Q HA -0.115 4.226 4.340 0.001 0.000 0.205 381 Q C 1.924 177.911 176.000 -0.021 0.000 0.980 381 Q CA 1.418 57.250 55.803 0.048 0.000 0.862 381 Q CB -0.249 28.529 28.738 0.067 0.000 0.905 381 Q HN 0.692 nan 8.270 nan 0.000 0.429 382 L N -0.246 120.935 121.223 -0.070 0.000 2.375 382 L HA -0.047 4.294 4.340 0.001 0.000 0.215 382 L C 2.209 178.993 176.870 -0.142 0.000 1.108 382 L CA 0.322 55.071 54.840 -0.152 0.000 0.830 382 L CB -0.165 41.826 42.059 -0.113 0.000 0.959 382 L HN 0.214 nan 8.230 nan 0.000 0.457 383 E N 0.144 120.296 120.200 -0.079 0.000 2.118 383 E HA -0.285 4.065 4.350 0.001 0.000 0.195 383 E C 2.173 178.736 176.600 -0.061 0.000 0.992 383 E CA 1.919 58.283 56.400 -0.059 0.000 0.804 383 E CB 0.086 29.767 29.700 -0.031 0.000 0.741 383 E HN 0.411 nan 8.360 nan 0.000 0.458 384 T N -0.564 113.960 114.554 -0.050 0.000 2.674 384 T HA -0.098 4.253 4.350 0.001 0.000 0.265 384 T C 0.918 175.571 174.700 -0.079 0.000 1.039 384 T CA 0.989 63.082 62.100 -0.011 0.000 1.150 384 T CB -0.431 68.504 68.868 0.111 0.000 0.864 384 T HN -0.013 nan 8.240 nan 0.000 0.427 385 V N 3.266 123.001 119.914 -0.297 0.000 2.611 385 V HA 0.006 4.127 4.120 0.001 0.000 0.296 385 V C 0.356 176.346 176.094 -0.174 0.000 1.006 385 V CA 0.511 62.564 62.300 -0.411 0.000 1.194 385 V CB -0.849 30.578 31.823 -0.660 0.000 0.871 385 V HN 0.623 nan 8.190 nan 0.000 0.470 386 D N 4.640 124.992 120.400 -0.080 0.000 2.336 386 D HA 0.434 5.075 4.640 0.001 0.000 0.249 386 D C -0.119 176.159 176.300 -0.036 0.000 1.213 386 D CA 0.304 54.280 54.000 -0.039 0.000 0.870 386 D CB 0.566 41.364 40.800 -0.003 0.000 1.076 386 D HN 0.658 nan 8.370 nan 0.000 0.483 387 S N 2.717 118.393 115.700 -0.039 0.000 2.551 387 S HA 0.410 4.881 4.470 0.001 0.000 0.325 387 S C 0.515 175.101 174.600 -0.023 0.000 0.963 387 S CA -0.137 58.048 58.200 -0.025 0.000 0.876 387 S CB 0.233 63.413 63.200 -0.034 0.000 1.132 387 S HN 0.500 nan 8.310 nan 0.000 0.458 388 A N 5.955 128.770 122.820 -0.009 0.000 1.865 388 A HA 0.137 4.458 4.320 0.001 0.000 0.217 388 A C -0.693 176.888 177.584 -0.005 0.000 1.191 388 A CA 1.963 53.996 52.037 -0.007 0.000 0.623 388 A CB -1.830 17.170 19.000 0.000 0.000 0.826 388 A HN 0.659 nan 8.150 nan 0.000 0.444 389 P HA -0.106 nan 4.420 nan 0.000 0.216 389 P C 1.585 178.888 177.300 0.004 0.000 1.150 389 P CA 1.278 64.385 63.100 0.012 0.000 0.837 389 P CB -0.144 31.571 31.700 0.025 0.000 0.786 390 V N -0.103 119.803 119.914 -0.014 0.000 2.343 390 V HA -0.239 3.882 4.120 0.001 0.000 0.247 390 V C 2.475 178.546 176.094 -0.038 0.000 1.051 390 V CA 1.720 63.998 62.300 -0.036 0.000 1.036 390 V CB -1.124 30.651 31.823 -0.081 0.000 0.654 390 V HN 0.142 nan 8.190 nan 0.000 0.451 391 Q N -0.155 119.622 119.800 -0.038 0.000 2.224 391 Q HA -0.045 4.296 4.340 0.001 0.000 0.203 391 Q C 2.384 178.371 176.000 -0.021 0.000 0.970 391 Q CA 1.616 57.398 55.803 -0.035 0.000 0.865 391 Q CB -0.628 28.090 28.738 -0.033 0.000 0.922 391 Q HN 0.653 nan 8.270 nan 0.000 0.445 392 A N 0.712 123.526 122.820 -0.010 0.000 1.930 392 A HA -0.093 4.227 4.320 0.001 0.000 0.217 392 A C 2.193 179.781 177.584 0.006 0.000 1.175 392 A CA 0.891 52.928 52.037 -0.000 0.000 0.627 392 A CB -0.538 18.467 19.000 0.008 0.000 0.815 392 A HN 0.296 nan 8.150 nan 0.000 0.443 393 L N -1.449 119.779 121.223 0.008 0.000 2.179 393 L HA -0.051 4.289 4.340 0.001 0.000 0.208 393 L C 2.731 179.604 176.870 0.005 0.000 1.096 393 L CA 1.103 55.954 54.840 0.018 0.000 0.779 393 L CB -0.341 41.733 42.059 0.025 0.000 0.922 393 L HN 0.405 nan 8.230 nan 0.000 0.443 394 R N 0.127 120.619 120.500 -0.014 0.000 2.096 394 R HA -0.225 4.116 4.340 0.001 0.000 0.235 394 R C 2.169 178.450 176.300 -0.031 0.000 1.127 394 R CA 1.620 57.704 56.100 -0.026 0.000 0.968 394 R CB 0.094 30.369 30.300 -0.041 0.000 0.861 394 R HN 0.217 nan 8.270 nan 0.000 0.440 395 E N 0.752 120.935 120.200 -0.028 0.000 2.028 395 E HA -0.170 4.181 4.350 0.001 0.000 0.190 395 E C 1.765 178.346 176.600 -0.032 0.000 0.984 395 E CA 1.502 57.879 56.400 -0.039 0.000 0.800 395 E CB -0.043 29.640 29.700 -0.029 0.000 0.758 395 E HN 0.155 nan 8.360 nan 0.000 0.448 396 K N -0.060 120.339 120.400 -0.001 0.000 2.113 396 K HA -0.201 4.120 4.320 0.001 0.000 0.208 396 K C 2.222 178.849 176.600 0.045 0.000 1.047 396 K CA 1.721 58.024 56.287 0.028 0.000 0.928 396 K CB -0.262 32.265 32.500 0.045 0.000 0.716 396 K HN 0.281 nan 8.250 nan 0.000 0.446 397 M N 0.025 119.644 119.600 0.031 0.000 2.213 397 M HA -0.088 4.393 4.480 0.001 0.000 0.263 397 M C 0.825 177.129 176.300 0.007 0.000 1.062 397 M CA 1.715 57.050 55.300 0.057 0.000 1.105 397 M CB -0.394 32.227 32.600 0.034 0.000 1.385 397 M HN 0.387 nan 8.290 nan 0.000 0.417 398 G N 0.214 108.929 108.800 -0.140 0.000 2.645 398 G HA2 -0.344 3.617 3.960 0.001 0.000 0.246 398 G HA3 -0.344 3.617 3.960 0.001 0.000 0.246 398 G C 0.058 174.671 174.900 -0.479 0.000 1.322 398 G CA 0.337 45.178 45.100 -0.431 0.000 0.898 398 G HN 0.570 nan 8.290 nan 0.000 0.573 399 E N -2.602 117.085 120.200 -0.855 0.000 2.820 399 E HA 0.267 4.618 4.350 0.001 0.000 0.210 399 E C 0.235 176.547 176.600 -0.481 0.000 1.005 399 E CA 0.226 56.337 56.400 -0.480 0.000 1.678 399 E CB 0.467 29.993 29.700 -0.290 0.000 2.013 399 E HN 0.894 nan 8.360 nan 0.000 1.011 400 F N 0.103 119.861 119.950 -0.320 0.000 3.027 400 F HA -0.282 4.246 4.527 0.001 0.000 0.276 400 F C 1.027 176.549 175.800 -0.464 0.000 0.967 400 F CA 0.453 58.145 58.000 -0.514 0.000 0.929 400 F CB -2.132 36.293 39.000 -0.960 0.000 0.873 400 F HN 0.184 nan 8.300 nan 0.000 0.787 401 A N -0.390 122.318 122.820 -0.187 0.000 1.883 401 A HA -0.233 4.088 4.320 0.001 0.000 0.217 401 A C 2.152 179.680 177.584 -0.094 0.000 1.186 401 A CA 2.075 54.042 52.037 -0.118 0.000 0.624 401 A CB -0.397 18.548 19.000 -0.091 0.000 0.822 401 A HN 0.656 nan 8.150 nan 0.000 0.444 402 E N -0.116 120.023 120.200 -0.102 0.000 2.038 402 E HA -0.190 4.161 4.350 0.001 0.000 0.195 402 E C 1.988 178.552 176.600 -0.061 0.000 1.000 402 E CA 1.444 57.803 56.400 -0.068 0.000 0.803 402 E CB -0.377 29.280 29.700 -0.072 0.000 0.750 402 E HN 0.647 nan 8.360 nan 0.000 0.448 403 L N 0.525 121.670 121.223 -0.130 0.000 2.083 403 L HA -0.184 4.156 4.340 0.001 0.000 0.209 403 L C 2.762 179.665 176.870 0.055 0.000 1.083 403 L CA 1.067 55.861 54.840 -0.077 0.000 0.752 403 L CB -0.528 41.403 42.059 -0.214 0.000 0.899 403 L HN 0.114 nan 8.230 nan 0.000 0.433 404 R N 0.599 121.099 120.500 0.001 0.000 2.073 404 R HA -0.235 4.106 4.340 0.001 0.000 0.234 404 R C 1.988 178.356 176.300 0.113 0.000 1.134 404 R CA 2.328 58.544 56.100 0.193 0.000 0.952 404 R CB -0.243 30.130 30.300 0.122 0.000 0.850 404 R HN 0.323 nan 8.270 nan 0.000 0.433 405 D N 0.069 120.500 120.400 0.052 0.000 2.144 405 D HA -0.179 4.461 4.640 0.001 0.000 0.199 405 D C 1.958 178.288 176.300 0.050 0.000 0.984 405 D CA 0.874 54.901 54.000 0.045 0.000 0.834 405 D CB -0.034 40.783 40.800 0.029 0.000 0.955 405 D HN 0.190 nan 8.370 nan 0.000 0.465 406 L N 0.331 121.585 121.223 0.051 0.000 1.970 406 L HA -0.107 4.233 4.340 0.001 0.000 0.212 406 L C 2.130 178.993 176.870 -0.011 0.000 1.071 406 L CA 1.713 56.581 54.840 0.047 0.000 0.751 406 L CB -0.777 41.313 42.059 0.052 0.000 0.889 406 L HN 0.188 nan 8.230 nan 0.000 0.432 407 L N -0.701 120.528 121.223 0.010 0.000 2.191 407 L HA -0.189 4.152 4.340 0.001 0.000 0.212 407 L C 2.516 179.366 176.870 -0.033 0.000 1.103 407 L CA 1.270 56.091 54.840 -0.031 0.000 0.769 407 L CB -0.605 41.465 42.059 0.020 0.000 0.908 407 L HN 0.425 nan 8.230 nan 0.000 0.438 408 E N -0.096 120.111 120.200 0.011 0.000 2.107 408 E HA -0.161 4.190 4.350 0.001 0.000 0.191 408 E C 2.307 178.907 176.600 -0.000 0.000 0.982 408 E CA 0.780 57.189 56.400 0.015 0.000 0.809 408 E CB 0.080 29.803 29.700 0.038 0.000 0.756 408 E HN 0.440 nan 8.360 nan 0.000 0.459 409 R N -0.070 120.432 120.500 0.003 0.000 2.153 409 R HA 0.073 4.414 4.340 0.001 0.000 0.218 409 R C 1.961 178.216 176.300 -0.075 0.000 1.072 409 R CA 0.897 57.021 56.100 0.039 0.000 0.990 409 R CB 0.127 30.511 30.300 0.139 0.000 0.889 409 R HN 0.037 nan 8.270 nan 0.000 0.452 410 A N 0.333 122.950 122.820 -0.339 0.000 2.169 410 A HA 0.262 4.583 4.320 0.001 0.000 0.210 410 A C 0.862 178.213 177.584 -0.388 0.000 1.168 410 A CA 0.217 51.759 52.037 -0.825 0.000 0.813 410 A CB 0.498 18.789 19.000 -1.182 0.000 0.861 410 A HN 0.037 nan 8.150 nan 0.000 0.481 411 I N 0.119 120.573 120.570 -0.193 0.000 2.689 411 I HA 0.351 4.522 4.170 0.001 0.000 0.299 411 I C -0.508 175.580 176.117 -0.048 0.000 1.059 411 I CA -0.868 60.374 61.300 -0.096 0.000 1.055 411 I CB 2.103 40.060 38.000 -0.071 0.000 1.243 411 I HN 0.034 nan 8.210 nan 0.000 0.425 412 I N 3.510 124.064 120.570 -0.027 0.000 2.938 412 I HA -0.057 4.114 4.170 0.001 0.000 0.285 412 I C 1.452 177.563 176.117 -0.011 0.000 1.182 412 I CA 0.225 61.517 61.300 -0.012 0.000 1.388 412 I CB 0.394 38.389 38.000 -0.009 0.000 1.390 412 I HN 0.699 nan 8.210 nan 0.000 0.600 413 D N 2.117 122.514 120.400 -0.004 0.000 2.127 413 D HA -0.164 4.477 4.640 0.001 0.000 0.190 413 D C 0.702 176.994 176.300 -0.013 0.000 1.000 413 D CA 1.967 55.966 54.000 -0.002 0.000 0.839 413 D CB 0.135 40.936 40.800 0.002 0.000 0.955 413 D HN 0.701 nan 8.370 nan 0.000 0.446 414 T N 0.150 114.694 114.554 -0.017 0.000 3.226 414 T HA 0.414 4.765 4.350 0.001 0.000 0.378 414 T C -2.388 172.297 174.700 -0.026 0.000 1.380 414 T CA -1.491 60.594 62.100 -0.026 0.000 1.396 414 T CB 2.058 70.910 68.868 -0.028 0.000 1.044 414 T HN -0.087 nan 8.240 nan 0.000 0.586 415 P HA 0.400 nan 4.420 nan 0.000 0.274 415 P C -2.572 174.706 177.300 -0.035 0.000 1.246 415 P CA -1.291 61.792 63.100 -0.029 0.000 0.795 415 P CB 0.154 31.840 31.700 -0.024 0.000 1.006 416 P HA 0.071 nan 4.420 nan 0.000 0.276 416 P C 1.133 178.402 177.300 -0.050 0.000 1.261 416 P CA -0.349 62.723 63.100 -0.046 0.000 0.800 416 P CB 0.640 32.310 31.700 -0.051 0.000 1.066 417 V N -0.291 119.595 119.914 -0.046 0.000 2.392 417 V HA -0.156 3.964 4.120 0.001 0.000 0.249 417 V C 1.389 177.454 176.094 -0.050 0.000 1.059 417 V CA 1.745 64.020 62.300 -0.041 0.000 1.051 417 V CB -0.775 31.025 31.823 -0.037 0.000 0.658 417 V HN 0.351 nan 8.190 nan 0.000 0.455 418 L N -2.153 119.029 121.223 -0.067 0.000 2.301 418 L HA 0.402 4.743 4.340 0.001 0.000 0.264 418 L C 0.831 177.613 176.870 -0.146 0.000 1.016 418 L CA -0.512 54.276 54.840 -0.087 0.000 0.821 418 L CB 2.123 44.146 42.059 -0.060 0.000 1.346 418 L HN -0.246 nan 8.230 nan 0.000 0.429 419 V N 0.354 120.139 119.914 -0.214 0.000 2.878 419 V HA -0.060 4.061 4.120 0.001 0.000 0.250 419 V C 2.317 178.312 176.094 -0.166 0.000 1.075 419 V CA 0.928 63.045 62.300 -0.304 0.000 1.096 419 V CB -0.539 30.950 31.823 -0.558 0.000 0.724 419 V HN 0.816 nan 8.190 nan 0.000 0.467 420 R N 1.130 121.570 120.500 -0.100 0.000 2.196 420 R HA -0.258 4.083 4.340 0.001 0.000 0.259 420 R C 0.789 177.063 176.300 -0.045 0.000 1.154 420 R CA 2.411 58.484 56.100 -0.045 0.000 0.976 420 R CB -0.259 30.038 30.300 -0.006 0.000 0.888 420 R HN 0.504 nan 8.270 nan 0.000 0.453 421 D N -0.147 120.219 120.400 -0.056 0.000 2.615 421 D HA 0.189 4.830 4.640 0.001 0.000 0.236 421 D C 0.717 176.985 176.300 -0.053 0.000 1.233 421 D CA 0.699 54.671 54.000 -0.048 0.000 0.829 421 D CB 0.438 41.211 40.800 -0.045 0.000 1.024 421 D HN 0.524 nan 8.370 nan 0.000 0.490 422 G N 1.032 109.793 108.800 -0.065 0.000 2.633 422 G HA2 -0.136 3.825 3.960 0.001 0.000 0.263 422 G HA3 -0.136 3.825 3.960 0.001 0.000 0.263 422 G C 0.859 175.727 174.900 -0.054 0.000 1.310 422 G CA 0.280 45.345 45.100 -0.058 0.000 0.914 422 G HN 0.911 nan 8.290 nan 0.000 0.569 423 G N -3.353 105.427 108.800 -0.033 0.000 2.176 423 G HA2 0.057 4.018 3.960 0.001 0.000 0.252 423 G HA3 0.057 4.018 3.960 0.001 0.000 0.252 423 G C 0.885 175.766 174.900 -0.031 0.000 1.024 423 G CA 1.238 46.323 45.100 -0.025 0.000 0.755 423 G HN 1.784 nan 8.290 nan 0.000 0.507 424 V N -0.179 119.714 119.914 -0.035 0.000 2.840 424 V HA 0.351 4.472 4.120 0.001 0.000 0.234 424 V C 1.682 177.772 176.094 -0.007 0.000 1.159 424 V CA 0.839 63.117 62.300 -0.037 0.000 1.194 424 V CB 0.046 31.813 31.823 -0.093 0.000 0.971 424 V HN 0.387 nan 8.190 nan 0.000 0.494 425 I N 1.658 122.236 120.570 0.012 0.000 2.533 425 I HA 0.311 4.482 4.170 0.001 0.000 0.284 425 I C 0.656 176.792 176.117 0.031 0.000 1.109 425 I CA 0.106 61.416 61.300 0.017 0.000 1.412 425 I CB 0.825 38.870 38.000 0.075 0.000 1.396 425 I HN 0.268 nan 8.210 nan 0.000 0.543 426 A N 5.373 128.202 122.820 0.014 0.000 2.287 426 A HA 0.476 4.797 4.320 0.001 0.000 0.273 426 A C 0.381 178.019 177.584 0.090 0.000 1.091 426 A CA -0.501 51.559 52.037 0.039 0.000 0.817 426 A CB 0.407 19.419 19.000 0.019 0.000 1.069 426 A HN 0.777 nan 8.150 nan 0.000 0.492 427 S N -0.397 115.347 115.700 0.073 0.000 2.576 427 S HA 0.501 4.972 4.470 0.001 0.000 0.276 427 S C 1.083 175.738 174.600 0.091 0.000 1.339 427 S CA 0.195 58.443 58.200 0.079 0.000 1.039 427 S CB 0.933 64.164 63.200 0.052 0.000 0.902 427 S HN 2.546 nan 8.310 nan 0.000 0.516 428 G N 0.926 109.778 108.800 0.087 0.000 2.217 428 G HA2 -0.337 3.624 3.960 0.001 0.000 0.246 428 G HA3 -0.337 3.624 3.960 0.001 0.000 0.246 428 G C 0.390 175.355 174.900 0.109 0.000 0.990 428 G CA 0.487 45.633 45.100 0.076 0.000 0.627 428 G HN 0.947 nan 8.290 nan 0.000 0.522 429 Y N 1.635 121.947 120.300 0.020 0.000 2.365 429 Y HA 0.326 4.877 4.550 0.001 0.000 0.293 429 Y C 0.981 176.894 175.900 0.023 0.000 1.119 429 Y CA 1.390 59.502 58.100 0.020 0.000 1.203 429 Y CB 0.483 38.957 38.460 0.023 0.000 1.026 429 Y HN 0.345 nan 8.280 nan 0.000 0.549 430 N N 0.169 118.839 118.700 -0.050 0.000 2.503 430 N HA 0.055 4.795 4.740 0.001 0.000 0.287 430 N C -0.184 175.317 175.510 -0.015 0.000 1.096 430 N CA -0.029 52.957 53.050 -0.106 0.000 0.936 430 N CB 1.394 39.839 38.487 -0.070 0.000 1.570 430 N HN 0.254 nan 8.380 nan 0.000 0.504 431 E N 1.686 121.864 120.200 -0.036 0.000 2.077 431 E HA -0.206 4.145 4.350 0.001 0.000 0.193 431 E C 1.037 177.626 176.600 -0.017 0.000 0.989 431 E CA 1.216 57.600 56.400 -0.025 0.000 0.800 431 E CB 0.278 29.954 29.700 -0.041 0.000 0.746 431 E HN 0.710 nan 8.360 nan 0.000 0.452 432 E N 0.684 120.886 120.200 0.005 0.000 2.058 432 E HA -0.235 4.115 4.350 0.001 0.000 0.194 432 E C 2.164 178.849 176.600 0.141 0.000 0.997 432 E CA 0.820 57.241 56.400 0.034 0.000 0.801 432 E CB -0.012 29.762 29.700 0.122 0.000 0.746 432 E HN 0.112 nan 8.360 nan 0.000 0.450 433 L N 1.638 122.965 121.223 0.175 0.000 2.012 433 L HA -0.197 4.144 4.340 0.001 0.000 0.210 433 L C 1.559 178.524 176.870 0.159 0.000 1.073 433 L CA 2.275 57.245 54.840 0.217 0.000 0.748 433 L CB -0.526 41.628 42.059 0.159 0.000 0.891 433 L HN 0.075 nan 8.230 nan 0.000 0.431 434 D N -0.568 119.883 120.400 0.085 0.000 2.158 434 D HA -0.241 4.400 4.640 0.001 0.000 0.197 434 D C 2.087 178.398 176.300 0.019 0.000 0.995 434 D CA 1.496 55.526 54.000 0.050 0.000 0.846 434 D CB -0.055 40.760 40.800 0.025 0.000 0.941 434 D HN 0.578 nan 8.370 nan 0.000 0.456 435 E N -0.636 119.540 120.200 -0.040 0.000 2.028 435 E HA -0.158 4.193 4.350 0.001 0.000 0.191 435 E C 1.829 178.349 176.600 -0.132 0.000 0.988 435 E CA 0.846 57.154 56.400 -0.154 0.000 0.799 435 E CB -0.187 29.322 29.700 -0.317 0.000 0.755 435 E HN 0.419 nan 8.360 nan 0.000 0.447 436 W N 0.794 122.084 121.300 -0.017 0.000 2.374 436 W HA -0.078 4.583 4.660 0.001 0.000 0.288 436 W C 2.530 179.032 176.519 -0.028 0.000 1.218 436 W CA 0.613 57.943 57.345 -0.025 0.000 1.245 436 W CB 0.020 29.467 29.460 -0.022 0.000 1.126 436 W HN 0.053 nan 8.180 nan 0.000 0.545 437 R N -0.059 120.554 120.500 0.188 0.000 2.148 437 R HA -0.018 4.323 4.340 0.001 0.000 0.223 437 R C 2.327 178.663 176.300 0.060 0.000 1.088 437 R CA 1.026 57.190 56.100 0.105 0.000 0.985 437 R CB -0.689 29.660 30.300 0.082 0.000 0.880 437 R HN 0.143 nan 8.270 nan 0.000 0.451 438 A N 1.525 124.368 122.820 0.037 0.000 1.908 438 A HA -0.148 4.173 4.320 0.001 0.000 0.218 438 A C 2.040 179.633 177.584 0.014 0.000 1.181 438 A CA 1.122 53.167 52.037 0.013 0.000 0.627 438 A CB -0.333 18.657 19.000 -0.017 0.000 0.818 438 A HN 0.069 nan 8.150 nan 0.000 0.445 439 L N -0.674 120.558 121.223 0.014 0.000 2.017 439 L HA -0.145 4.196 4.340 0.001 0.000 0.208 439 L C 2.981 179.845 176.870 -0.010 0.000 1.073 439 L CA 2.105 56.944 54.840 -0.002 0.000 0.745 439 L CB -1.840 40.225 42.059 0.010 0.000 0.894 439 L HN 0.449 nan 8.230 nan 0.000 0.432 440 A N -0.767 122.059 122.820 0.009 0.000 2.125 440 A HA -0.217 4.104 4.320 0.001 0.000 0.219 440 A C 1.866 179.460 177.584 0.017 0.000 1.156 440 A CA 1.760 53.791 52.037 -0.009 0.000 0.671 440 A CB -0.517 18.485 19.000 0.003 0.000 0.794 440 A HN 0.447 nan 8.150 nan 0.000 0.459 441 D N -1.813 118.606 120.400 0.032 0.000 2.398 441 D HA 0.181 4.822 4.640 0.001 0.000 0.210 441 D C 1.657 177.992 176.300 0.059 0.000 1.094 441 D CA 0.704 54.729 54.000 0.042 0.000 0.839 441 D CB -0.159 40.661 40.800 0.034 0.000 0.963 441 D HN 0.208 nan 8.370 nan 0.000 0.506 442 G N 0.122 108.965 108.800 0.071 0.000 2.534 442 G HA2 -0.058 3.903 3.960 0.001 0.000 0.217 442 G HA3 -0.058 3.903 3.960 0.001 0.000 0.217 442 G C 1.618 176.605 174.900 0.146 0.000 1.128 442 G CA 0.675 45.834 45.100 0.098 0.000 0.784 442 G HN 0.355 nan 8.290 nan 0.000 0.542 443 A N 0.179 123.102 122.820 0.171 0.000 1.901 443 A HA -0.236 4.085 4.320 0.001 0.000 0.227 443 A C 1.895 179.564 177.584 0.142 0.000 1.551 443 A CA 2.281 54.445 52.037 0.211 0.000 0.769 443 A CB -1.238 17.858 19.000 0.161 0.000 0.845 443 A HN 0.433 nan 8.150 nan 0.000 0.481 444 T N -0.278 114.334 114.554 0.097 0.000 3.281 444 T HA 0.477 4.828 4.350 0.001 0.000 0.359 444 T C -0.148 174.579 174.700 0.046 0.000 1.459 444 T CA 0.370 62.509 62.100 0.065 0.000 1.114 444 T CB -0.339 68.559 68.868 0.051 0.000 1.162 444 T HN 0.609 nan 8.240 nan 0.000 0.665 445 D N 1.394 121.824 120.400 0.051 0.000 2.119 445 D HA 0.019 4.660 4.640 0.001 0.000 0.311 445 D C 1.210 177.509 176.300 -0.001 0.000 1.155 445 D CA -0.347 53.666 54.000 0.022 0.000 1.036 445 D CB -0.418 40.401 40.800 0.031 0.000 1.855 445 D HN 0.375 nan 8.370 nan 0.000 0.523 446 Y N 2.110 122.356 120.300 -0.091 0.000 2.049 446 Y HA -0.067 4.484 4.550 0.001 0.000 0.277 446 Y C 1.964 177.730 175.900 -0.224 0.000 1.143 446 Y CA 1.834 59.829 58.100 -0.176 0.000 1.115 446 Y CB -0.374 37.922 38.460 -0.275 0.000 0.975 446 Y HN -0.061 nan 8.280 nan 0.000 0.487 447 L N 0.205 121.425 121.223 -0.006 0.000 2.042 447 L HA -0.253 4.088 4.340 0.001 0.000 0.210 447 L C 2.615 179.414 176.870 -0.119 0.000 1.076 447 L CA 2.030 56.830 54.840 -0.067 0.000 0.749 447 L CB -0.612 41.473 42.059 0.044 0.000 0.893 447 L HN 0.379 nan 8.230 nan 0.000 0.432 448 E N 0.064 120.216 120.200 -0.080 0.000 2.106 448 E HA -0.202 4.149 4.350 0.001 0.000 0.192 448 E C 2.361 178.890 176.600 -0.118 0.000 0.984 448 E CA 0.748 57.106 56.400 -0.070 0.000 0.806 448 E CB 0.163 29.842 29.700 -0.035 0.000 0.750 448 E HN 0.366 nan 8.360 nan 0.000 0.458 449 R N 0.080 120.471 120.500 -0.181 0.000 2.075 449 R HA -0.136 4.205 4.340 0.001 0.000 0.232 449 R C 2.529 178.678 176.300 -0.253 0.000 1.126 449 R CA 1.043 57.019 56.100 -0.206 0.000 0.963 449 R CB -0.286 29.872 30.300 -0.238 0.000 0.858 449 R HN 0.187 nan 8.270 nan 0.000 0.435 450 L N 1.429 122.418 121.223 -0.390 0.000 2.083 450 L HA -0.158 4.183 4.340 0.001 0.000 0.209 450 L C 2.110 178.885 176.870 -0.159 0.000 1.083 450 L CA 1.858 56.496 54.840 -0.335 0.000 0.752 450 L CB -0.461 41.327 42.059 -0.452 0.000 0.899 450 L HN 0.157 nan 8.230 nan 0.000 0.433 451 E N -0.919 119.207 120.200 -0.123 0.000 2.051 451 E HA -0.190 4.160 4.350 0.001 0.000 0.192 451 E C 2.033 178.612 176.600 -0.035 0.000 0.991 451 E CA 1.829 58.200 56.400 -0.049 0.000 0.799 451 E CB -0.055 29.627 29.700 -0.029 0.000 0.748 451 E HN 0.397 nan 8.360 nan 0.000 0.449 452 V N 1.153 121.035 119.914 -0.052 0.000 2.237 452 V HA -0.279 3.842 4.120 0.001 0.000 0.245 452 V C 2.636 178.708 176.094 -0.038 0.000 1.046 452 V CA 2.249 64.526 62.300 -0.038 0.000 1.007 452 V CB -0.728 31.068 31.823 -0.045 0.000 0.638 452 V HN 0.317 nan 8.190 nan 0.000 0.445 453 R N 0.036 120.501 120.500 -0.059 0.000 2.112 453 R HA -0.238 4.103 4.340 0.001 0.000 0.242 453 R C 2.302 178.586 176.300 -0.026 0.000 1.137 453 R CA 2.217 58.286 56.100 -0.052 0.000 0.944 453 R CB -0.299 29.952 30.300 -0.081 0.000 0.857 453 R HN 0.479 nan 8.270 nan 0.000 0.435 454 E N -0.047 120.144 120.200 -0.015 0.000 2.204 454 E HA -0.180 4.171 4.350 0.001 0.000 0.194 454 E C 1.972 178.591 176.600 0.031 0.000 0.989 454 E CA 0.792 57.211 56.400 0.032 0.000 0.824 454 E CB -0.164 29.584 29.700 0.079 0.000 0.756 454 E HN 0.386 nan 8.360 nan 0.000 0.477 455 R N 1.026 121.535 120.500 0.016 0.000 2.090 455 R HA -0.091 4.250 4.340 0.001 0.000 0.228 455 R C 1.929 178.227 176.300 -0.003 0.000 1.110 455 R CA 1.154 57.262 56.100 0.013 0.000 0.973 455 R CB 0.186 30.493 30.300 0.012 0.000 0.869 455 R HN 0.128 nan 8.270 nan 0.000 0.440 456 E N 0.012 120.206 120.200 -0.010 0.000 2.046 456 E HA -0.194 4.156 4.350 0.001 0.000 0.190 456 E C 2.103 178.691 176.600 -0.021 0.000 0.982 456 E CA 0.695 57.086 56.400 -0.016 0.000 0.800 456 E CB -0.198 29.491 29.700 -0.018 0.000 0.756 456 E HN 0.285 nan 8.360 nan 0.000 0.449 457 R N 0.833 121.322 120.500 -0.020 0.000 2.083 457 R HA -0.147 4.194 4.340 0.001 0.000 0.237 457 R C 2.537 178.813 176.300 -0.041 0.000 1.137 457 R CA 2.197 58.282 56.100 -0.025 0.000 0.951 457 R CB -0.256 30.034 30.300 -0.017 0.000 0.851 457 R HN 0.270 nan 8.270 nan 0.000 0.434 458 T N -4.012 110.514 114.554 -0.047 0.000 3.035 458 T HA 0.139 4.490 4.350 0.001 0.000 0.259 458 T C 1.387 176.045 174.700 -0.070 0.000 1.078 458 T CA 0.732 62.783 62.100 -0.081 0.000 1.132 458 T CB 0.279 69.082 68.868 -0.109 0.000 0.900 458 T HN 0.451 nan 8.240 nan 0.000 0.480 459 G N 1.452 110.226 108.800 -0.045 0.000 2.143 459 G HA2 -0.198 3.762 3.960 0.001 0.000 0.248 459 G HA3 -0.198 3.762 3.960 0.001 0.000 0.248 459 G C -0.062 174.816 174.900 -0.036 0.000 0.991 459 G CA 0.240 45.317 45.100 -0.038 0.000 0.689 459 G HN 0.651 nan 8.290 nan 0.000 0.522 460 L N 1.542 122.745 121.223 -0.034 0.000 2.272 460 L HA 0.338 4.679 4.340 0.001 0.000 0.284 460 L C 1.356 178.228 176.870 0.004 0.000 1.045 460 L CA -0.333 54.493 54.840 -0.023 0.000 0.842 460 L CB 1.044 43.082 42.059 -0.034 0.000 1.224 460 L HN 0.277 nan 8.230 nan 0.000 0.430 461 D N -0.343 120.061 120.400 0.006 0.000 2.264 461 D HA -0.186 4.455 4.640 0.001 0.000 0.208 461 D C 1.642 177.959 176.300 0.028 0.000 0.966 461 D CA 1.294 55.303 54.000 0.014 0.000 0.864 461 D CB -0.089 40.717 40.800 0.010 0.000 0.933 461 D HN 0.549 nan 8.370 nan 0.000 0.499 462 T N -1.932 112.644 114.554 0.036 0.000 3.118 462 T HA 0.018 4.369 4.350 0.001 0.000 0.260 462 T C 1.015 175.758 174.700 0.072 0.000 1.139 462 T CA -0.503 61.628 62.100 0.051 0.000 1.085 462 T CB -0.691 68.210 68.868 0.055 0.000 0.934 462 T HN 0.219 nan 8.240 nan 0.000 0.518 463 L N 1.356 122.624 121.223 0.074 0.000 2.525 463 L HA 0.300 4.640 4.340 0.001 0.000 0.278 463 L C -0.152 176.777 176.870 0.099 0.000 1.218 463 L CA 0.400 55.304 54.840 0.106 0.000 0.878 463 L CB 0.258 42.376 42.059 0.100 0.000 1.127 463 L HN 0.177 nan 8.230 nan 0.000 0.492 464 K N 2.905 123.383 120.400 0.130 0.000 2.532 464 K HA 0.571 4.892 4.320 0.001 0.000 0.265 464 K C -1.637 175.037 176.600 0.124 0.000 0.948 464 K CA -0.748 55.606 56.287 0.113 0.000 0.842 464 K CB 2.472 35.044 32.500 0.122 0.000 1.392 464 K HN 0.276 nan 8.250 nan 0.000 0.436 465 V N 1.544 121.490 119.914 0.054 0.000 2.435 465 V HA 0.808 4.929 4.120 0.001 0.000 0.290 465 V C 0.167 176.193 176.094 -0.114 0.000 1.030 465 V CA -0.301 61.990 62.300 -0.015 0.000 0.881 465 V CB 1.480 33.297 31.823 -0.010 0.000 0.983 465 V HN 0.939 nan 8.190 nan 0.000 0.445 466 G N 2.806 111.312 108.800 -0.491 0.000 2.727 466 G HA2 0.717 4.678 3.960 0.001 0.000 0.289 466 G HA3 0.717 4.678 3.960 0.001 0.000 0.289 466 G C -2.071 172.315 174.900 -0.857 0.000 1.418 466 G CA -0.545 44.195 45.100 -0.600 0.000 0.818 466 G HN 0.497 nan 8.290 nan 0.000 0.486 467 F N 0.904 120.514 119.950 -0.567 0.000 2.563 467 F HA 0.747 5.275 4.527 0.001 0.000 0.316 467 F C -0.880 174.871 175.800 -0.082 0.000 1.076 467 F CA -1.157 56.539 58.000 -0.507 0.000 0.921 467 F CB 2.449 41.010 39.000 -0.733 0.000 1.209 467 F HN 0.482 nan 8.300 nan 0.000 0.462 468 N N 3.526 121.544 118.700 -1.137 0.000 2.336 468 N HA 0.384 5.124 4.740 0.001 0.000 0.290 468 N C -0.201 174.604 175.510 -1.176 0.000 1.058 468 N CA 0.167 52.782 53.050 -0.725 0.000 0.865 468 N CB 2.292 40.706 38.487 -0.122 0.000 1.581 468 N HN 0.846 nan 8.380 nan 0.000 0.480 469 A N 2.829 125.234 122.820 -0.692 0.000 1.972 469 A HA -0.040 4.281 4.320 0.001 0.000 0.219 469 A C 1.761 179.197 177.584 -0.247 0.000 1.169 469 A CA 1.625 53.456 52.037 -0.342 0.000 0.635 469 A CB -0.286 18.686 19.000 -0.048 0.000 0.810 469 A HN 0.464 nan 8.150 nan 0.000 0.446 470 V N -0.816 118.939 119.914 -0.264 0.000 2.346 470 V HA -0.142 3.979 4.120 0.001 0.000 0.244 470 V C 2.106 177.928 176.094 -0.454 0.000 1.037 470 V CA 1.828 63.919 62.300 -0.349 0.000 1.029 470 V CB -0.822 30.745 31.823 -0.425 0.000 0.663 470 V HN 0.692 nan 8.190 nan 0.000 0.454 471 H N -0.807 118.170 119.070 -0.155 0.000 2.750 471 H HA 0.430 4.987 4.556 0.001 0.000 0.263 471 H C 1.239 176.528 175.328 -0.064 0.000 0.964 471 H CA 0.929 56.921 56.048 -0.094 0.000 1.205 471 H CB 1.043 30.750 29.762 -0.092 0.000 1.454 471 H HN 0.502 nan 8.280 nan 0.000 0.503 472 G N 0.619 109.353 108.800 -0.110 0.000 2.548 472 G HA2 -0.236 3.725 3.960 0.001 0.000 0.208 472 G HA3 -0.236 3.725 3.960 0.001 0.000 0.208 472 G C -1.014 173.893 174.900 0.013 0.000 1.308 472 G CA -0.716 44.366 45.100 -0.031 0.000 0.924 472 G HN 0.197 nan 8.290 nan 0.000 0.540 473 Y N 0.408 120.879 120.300 0.285 0.000 2.426 473 Y HA 0.535 5.086 4.550 0.001 0.000 0.344 473 Y C 1.006 177.010 175.900 0.173 0.000 1.256 473 Y CA 1.544 59.770 58.100 0.210 0.000 1.451 473 Y CB 0.681 39.295 38.460 0.256 0.000 1.342 473 Y HN 0.904 nan 8.280 nan 0.000 0.600 474 Y N -1.682 118.771 120.300 0.255 0.000 2.713 474 Y HA 0.691 5.242 4.550 0.001 0.000 0.335 474 Y C -1.895 174.075 175.900 0.117 0.000 1.222 474 Y CA -2.153 56.026 58.100 0.132 0.000 1.061 474 Y CB 0.692 39.179 38.460 0.046 0.000 1.314 474 Y HN 0.363 nan 8.280 nan 0.000 0.453 475 I N 2.500 123.286 120.570 0.359 0.000 2.378 475 I HA 0.366 4.536 4.170 0.001 0.000 0.291 475 I C -0.701 175.670 176.117 0.424 0.000 0.992 475 I CA -0.709 60.762 61.300 0.284 0.000 1.154 475 I CB 1.924 39.973 38.000 0.082 0.000 1.315 475 I HN 0.672 nan 8.210 nan 0.000 0.448 476 Q N 6.930 126.965 119.800 0.392 0.000 2.312 476 Q HA 0.703 5.044 4.340 0.001 0.000 0.263 476 Q C -1.537 174.613 176.000 0.251 0.000 0.995 476 Q CA -0.600 55.374 55.803 0.286 0.000 0.853 476 Q CB 2.060 30.947 28.738 0.248 0.000 1.300 476 Q HN 0.600 nan 8.270 nan 0.000 0.448 477 I N 2.210 122.930 120.570 0.250 0.000 2.647 477 I HA 0.252 4.423 4.170 0.001 0.000 0.295 477 I C -0.067 176.137 176.117 0.145 0.000 1.078 477 I CA -0.872 60.554 61.300 0.209 0.000 1.048 477 I CB 2.348 40.510 38.000 0.269 0.000 1.239 477 I HN 0.733 nan 8.210 nan 0.000 0.421 478 S N 4.717 120.478 115.700 0.102 0.000 2.573 478 S HA 0.136 4.607 4.470 0.001 0.000 0.277 478 S C 1.148 175.799 174.600 0.085 0.000 1.346 478 S CA -0.290 57.953 58.200 0.073 0.000 1.034 478 S CB 1.093 64.328 63.200 0.059 0.000 0.879 478 S HN 0.812 nan 8.310 nan 0.000 0.528 479 R N 1.732 122.268 120.500 0.060 0.000 2.105 479 R HA -0.098 4.243 4.340 0.001 0.000 0.239 479 R C 2.308 178.667 176.300 0.100 0.000 1.135 479 R CA 1.745 57.884 56.100 0.065 0.000 0.967 479 R CB -1.322 28.995 30.300 0.030 0.000 0.861 479 R HN 0.897 nan 8.270 nan 0.000 0.442 480 G N 0.747 109.599 108.800 0.087 0.000 2.514 480 G HA2 -0.344 3.617 3.960 0.001 0.000 0.217 480 G HA3 -0.344 3.617 3.960 0.001 0.000 0.217 480 G C 1.119 176.141 174.900 0.203 0.000 1.198 480 G CA 1.087 46.253 45.100 0.110 0.000 0.780 480 G HN 0.637 nan 8.290 nan 0.000 0.565 481 Q N 0.733 120.615 119.800 0.135 0.000 2.246 481 Q HA 0.215 4.556 4.340 0.001 0.000 0.202 481 Q C 1.981 177.993 176.000 0.019 0.000 0.883 481 Q CA 0.869 56.706 55.803 0.057 0.000 0.952 481 Q CB 0.185 28.921 28.738 -0.005 0.000 1.078 481 Q HN 0.511 nan 8.270 nan 0.000 0.493 482 S N 1.768 117.560 115.700 0.154 0.000 2.382 482 S HA -0.234 4.237 4.470 0.001 0.000 0.228 482 S C 1.851 176.529 174.600 0.131 0.000 1.027 482 S CA 1.213 59.521 58.200 0.181 0.000 0.991 482 S CB -0.921 62.420 63.200 0.236 0.000 0.823 482 S HN 0.758 nan 8.310 nan 0.000 0.469 483 H N 1.404 120.502 119.070 0.045 0.000 2.567 483 H HA 0.186 4.742 4.556 0.001 0.000 0.276 483 H C 1.372 176.687 175.328 -0.022 0.000 1.016 483 H CA 0.709 56.769 56.048 0.019 0.000 1.186 483 H CB -0.525 29.246 29.762 0.015 0.000 1.351 483 H HN 0.458 nan 8.280 nan 0.000 0.605 484 L N 0.437 121.407 121.223 -0.422 0.000 2.693 484 L HA 0.395 4.736 4.340 0.001 0.000 0.235 484 L C 1.211 177.909 176.870 -0.288 0.000 1.127 484 L CA -0.122 54.498 54.840 -0.367 0.000 0.914 484 L CB 0.165 41.984 42.059 -0.400 0.000 1.193 484 L HN 0.171 nan 8.230 nan 0.000 0.502 485 A N 0.977 123.616 122.820 -0.302 0.000 2.425 485 A HA 0.382 4.703 4.320 0.001 0.000 0.242 485 A C -2.055 175.217 177.584 -0.520 0.000 1.077 485 A CA -0.842 50.889 52.037 -0.510 0.000 0.781 485 A CB -0.486 18.112 19.000 -0.669 0.000 1.020 485 A HN -0.027 nan 8.150 nan 0.000 0.494 486 P HA 0.029 nan 4.420 nan 0.000 0.267 486 P C 0.876 178.001 177.300 -0.291 0.000 1.201 486 P CA 0.110 62.931 63.100 -0.465 0.000 0.775 486 P CB 0.250 31.638 31.700 -0.521 0.000 0.854 487 I N -1.039 119.451 120.570 -0.133 0.000 3.428 487 I HA -0.011 4.160 4.170 0.001 0.000 0.286 487 I C 1.347 177.475 176.117 0.017 0.000 1.287 487 I CA 0.929 62.202 61.300 -0.046 0.000 1.396 487 I CB -0.621 37.364 38.000 -0.025 0.000 1.062 487 I HN 0.175 nan 8.210 nan 0.000 0.471 488 N N 0.085 118.802 118.700 0.030 0.000 2.396 488 N HA -0.090 4.651 4.740 0.001 0.000 0.180 488 N C -0.060 175.579 175.510 0.215 0.000 1.028 488 N CA 0.329 53.443 53.050 0.107 0.000 0.893 488 N CB 0.044 38.598 38.487 0.111 0.000 0.967 488 N HN 0.259 nan 8.380 nan 0.000 0.440 489 Y N 0.911 121.174 120.300 -0.063 0.000 2.436 489 Y HA 0.175 4.725 4.550 0.001 0.000 0.336 489 Y C -0.001 175.955 175.900 0.093 0.000 1.049 489 Y CA -0.380 57.685 58.100 -0.059 0.000 1.294 489 Y CB 0.246 38.474 38.460 -0.387 0.000 1.179 489 Y HN 0.030 nan 8.280 nan 0.000 0.520 490 M N 4.153 123.901 119.600 0.248 0.000 2.146 490 M HA 0.260 4.741 4.480 0.001 0.000 0.357 490 M C 0.229 176.713 176.300 0.308 0.000 1.261 490 M CA 0.011 55.450 55.300 0.232 0.000 1.106 490 M CB 0.589 33.272 32.600 0.137 0.000 1.612 490 M HN 0.457 nan 8.290 nan 0.000 0.470 491 R N 2.702 123.360 120.500 0.264 0.000 2.401 491 R HA 0.135 4.476 4.340 0.001 0.000 0.299 491 R C 0.758 177.048 176.300 -0.017 0.000 1.064 491 R CA 0.379 56.520 56.100 0.069 0.000 1.000 491 R CB 0.480 30.799 30.300 0.031 0.000 0.973 491 R HN 0.834 nan 8.270 nan 0.000 0.438 492 R N 2.340 122.772 120.500 -0.113 0.000 2.215 492 R HA 0.110 4.451 4.340 0.001 0.000 0.190 492 R C -0.203 175.978 176.300 -0.198 0.000 0.968 492 R CA 0.163 56.215 56.100 -0.081 0.000 1.122 492 R CB 0.605 30.896 30.300 -0.014 0.000 1.151 492 R HN 0.648 nan 8.270 nan 0.000 0.582 493 Q N 0.765 120.363 119.800 -0.337 0.000 2.284 493 Q HA 0.272 4.613 4.340 0.001 0.000 0.269 493 Q C -1.746 174.014 176.000 -0.399 0.000 1.026 493 Q CA -0.570 54.951 55.803 -0.471 0.000 0.831 493 Q CB 2.598 30.882 28.738 -0.757 0.000 1.322 493 Q HN 0.096 nan 8.270 nan 0.000 0.419 494 T N 3.761 118.130 114.554 -0.308 0.000 2.829 494 T HA 0.615 4.966 4.350 0.001 0.000 0.282 494 T C -0.647 173.932 174.700 -0.201 0.000 0.990 494 T CA -0.275 61.685 62.100 -0.234 0.000 1.028 494 T CB 0.669 69.441 68.868 -0.160 0.000 0.951 494 T HN 0.419 nan 8.240 nan 0.000 0.460 495 L N 1.817 122.938 121.223 -0.169 0.000 2.257 495 L HA 0.557 4.898 4.340 0.001 0.000 0.257 495 L C 1.706 178.526 176.870 -0.084 0.000 1.033 495 L CA -0.813 53.950 54.840 -0.128 0.000 0.835 495 L CB 1.017 42.993 42.059 -0.139 0.000 1.398 495 L HN 0.497 nan 8.230 nan 0.000 0.429 496 K N 0.268 120.631 120.400 -0.062 0.000 2.032 496 K HA -0.087 4.234 4.320 0.001 0.000 0.209 496 K C 0.302 176.883 176.600 -0.032 0.000 1.048 496 K CA 1.895 58.157 56.287 -0.041 0.000 0.927 496 K CB 0.094 32.575 32.500 -0.031 0.000 0.712 496 K HN 0.604 nan 8.250 nan 0.000 0.441 497 N N -0.400 118.281 118.700 -0.031 0.000 2.291 497 N HA 0.206 4.947 4.740 0.001 0.000 0.244 497 N C -1.085 174.417 175.510 -0.012 0.000 1.216 497 N CA 0.178 53.219 53.050 -0.015 0.000 0.879 497 N CB 1.730 40.213 38.487 -0.007 0.000 1.167 497 N HN 0.166 nan 8.380 nan 0.000 0.515 498 A N 0.268 123.068 122.820 -0.034 0.000 2.610 498 A HA 0.661 4.982 4.320 0.001 0.000 0.291 498 A C -1.623 175.909 177.584 -0.087 0.000 1.086 498 A CA -0.466 51.549 52.037 -0.036 0.000 0.677 498 A CB 2.084 21.056 19.000 -0.047 0.000 1.278 498 A HN 0.024 nan 8.150 nan 0.000 0.414 499 E N 0.095 120.243 120.200 -0.088 0.000 2.272 499 E HA 0.647 4.998 4.350 0.001 0.000 0.269 499 E C -0.958 175.427 176.600 -0.359 0.000 0.877 499 E CA -0.318 55.934 56.400 -0.247 0.000 0.755 499 E CB 1.494 31.088 29.700 -0.176 0.000 1.192 499 E HN 0.546 nan 8.360 nan 0.000 0.422 500 R N 2.851 123.023 120.500 -0.546 0.000 2.514 500 R HA 0.565 4.906 4.340 0.001 0.000 0.301 500 R C -1.013 174.996 176.300 -0.485 0.000 0.962 500 R CA -0.639 55.214 56.100 -0.411 0.000 0.882 500 R CB 1.200 31.192 30.300 -0.513 0.000 1.143 500 R HN 0.498 nan 8.270 nan 0.000 0.452 501 Y N 1.216 121.544 120.300 0.046 0.000 2.634 501 Y HA 0.586 5.137 4.550 0.001 0.000 0.340 501 Y C -0.536 175.356 175.900 -0.013 0.000 1.058 501 Y CA -1.194 56.915 58.100 0.014 0.000 1.081 501 Y CB 1.496 39.964 38.460 0.013 0.000 1.295 501 Y HN 0.381 nan 8.280 nan 0.000 0.487 502 I N 2.511 123.163 120.570 0.137 0.000 2.730 502 I HA 0.670 4.841 4.170 0.001 0.000 0.298 502 I C -1.236 174.874 176.117 -0.012 0.000 1.089 502 I CA -1.220 60.121 61.300 0.068 0.000 1.041 502 I CB 1.703 39.771 38.000 0.113 0.000 1.235 502 I HN 0.549 nan 8.210 nan 0.000 0.423 503 I N 3.456 124.006 120.570 -0.033 0.000 2.934 503 I HA 0.638 4.809 4.170 0.001 0.000 0.306 503 I C -2.327 173.810 176.117 0.033 0.000 1.110 503 I CA -2.158 59.131 61.300 -0.019 0.000 1.019 503 I CB 1.733 39.690 38.000 -0.073 0.000 1.227 503 I HN 0.290 nan 8.210 nan 0.000 0.434 504 P HA -0.202 nan 4.420 nan 0.000 0.216 504 P C 1.307 178.644 177.300 0.061 0.000 1.150 504 P CA 1.496 64.628 63.100 0.053 0.000 0.843 504 P CB 0.188 31.918 31.700 0.049 0.000 0.787 505 E N -0.527 119.713 120.200 0.066 0.000 2.031 505 E HA -0.179 4.172 4.350 0.001 0.000 0.193 505 E C 1.965 178.640 176.600 0.125 0.000 0.994 505 E CA 0.916 57.374 56.400 0.095 0.000 0.800 505 E CB -0.573 29.186 29.700 0.098 0.000 0.752 505 E HN 0.139 nan 8.360 nan 0.000 0.447 506 L N 0.772 122.062 121.223 0.112 0.000 2.056 506 L HA -0.178 4.162 4.340 0.001 0.000 0.207 506 L C 2.751 179.696 176.870 0.124 0.000 1.078 506 L CA 1.347 56.265 54.840 0.131 0.000 0.749 506 L CB -0.283 41.841 42.059 0.108 0.000 0.901 506 L HN 0.149 nan 8.230 nan 0.000 0.433 507 K N 0.149 120.611 120.400 0.105 0.000 2.063 507 K HA -0.290 4.030 4.320 0.001 0.000 0.208 507 K C 1.986 178.621 176.600 0.058 0.000 1.048 507 K CA 2.032 58.377 56.287 0.097 0.000 0.928 507 K CB -0.091 32.459 32.500 0.083 0.000 0.713 507 K HN 0.392 nan 8.250 nan 0.000 0.442 508 E N -0.471 119.759 120.200 0.050 0.000 2.077 508 E HA -0.255 4.096 4.350 0.001 0.000 0.193 508 E C 1.983 178.565 176.600 -0.030 0.000 0.989 508 E CA 1.146 57.557 56.400 0.018 0.000 0.800 508 E CB -0.339 29.380 29.700 0.032 0.000 0.746 508 E HN 0.481 nan 8.360 nan 0.000 0.452 509 Y N 1.707 121.902 120.300 -0.175 0.000 2.181 509 Y HA -0.189 4.361 4.550 0.001 0.000 0.288 509 Y C 2.198 177.895 175.900 -0.337 0.000 1.146 509 Y CA 2.224 60.116 58.100 -0.346 0.000 1.164 509 Y CB -0.255 37.864 38.460 -0.567 0.000 0.982 509 Y HN 0.172 nan 8.280 nan 0.000 0.515 510 E N -0.040 119.983 120.200 -0.296 0.000 2.077 510 E HA -0.243 4.107 4.350 0.001 0.000 0.193 510 E C 1.314 177.827 176.600 -0.145 0.000 0.989 510 E CA 1.713 57.962 56.400 -0.252 0.000 0.800 510 E CB -0.290 29.500 29.700 0.150 0.000 0.746 510 E HN 0.503 nan 8.360 nan 0.000 0.452 511 D N 0.239 120.587 120.400 -0.087 0.000 2.351 511 D HA -0.132 4.509 4.640 0.001 0.000 0.216 511 D C 1.453 177.699 176.300 -0.091 0.000 0.968 511 D CA 1.256 55.226 54.000 -0.050 0.000 0.899 511 D CB 0.091 40.880 40.800 -0.018 0.000 0.907 511 D HN 0.451 nan 8.370 nan 0.000 0.514 512 K N -1.142 119.149 120.400 -0.182 0.000 2.391 512 K HA 0.180 4.500 4.320 0.001 0.000 0.197 512 K C 1.324 177.792 176.600 -0.219 0.000 1.087 512 K CA 0.016 56.206 56.287 -0.162 0.000 1.012 512 K CB 0.420 32.828 32.500 -0.152 0.000 0.925 512 K HN -0.104 nan 8.250 nan 0.000 0.547 513 V N 1.548 121.234 119.914 -0.380 0.000 2.951 513 V HA 0.007 4.128 4.120 0.001 0.000 0.255 513 V C 1.757 177.742 176.094 -0.181 0.000 1.088 513 V CA 1.015 63.087 62.300 -0.379 0.000 1.109 513 V CB -0.194 31.219 31.823 -0.682 0.000 0.724 513 V HN 0.298 nan 8.190 nan 0.000 0.471 514 L N -0.500 120.649 121.223 -0.123 0.000 2.316 514 L HA -0.004 4.337 4.340 0.001 0.000 0.207 514 L C 2.673 179.500 176.870 -0.071 0.000 1.070 514 L CA 1.406 56.209 54.840 -0.063 0.000 0.820 514 L CB -0.880 41.180 42.059 0.002 0.000 0.992 514 L HN 0.432 nan 8.230 nan 0.000 0.466 515 T N -2.176 112.336 114.554 -0.070 0.000 2.821 515 T HA -0.163 4.188 4.350 0.001 0.000 0.267 515 T C 2.072 176.694 174.700 -0.130 0.000 1.046 515 T CA 1.393 63.443 62.100 -0.083 0.000 1.139 515 T CB -0.507 68.331 68.868 -0.048 0.000 0.871 515 T HN 0.398 nan 8.240 nan 0.000 0.454 516 S N 1.692 117.362 115.700 -0.050 0.000 2.387 516 S HA -0.005 4.465 4.470 0.001 0.000 0.226 516 S C 2.093 176.647 174.600 -0.077 0.000 1.026 516 S CA 0.619 58.833 58.200 0.022 0.000 0.972 516 S CB -0.445 62.904 63.200 0.249 0.000 0.814 516 S HN 0.463 nan 8.310 nan 0.000 0.477 517 K N 1.118 121.475 120.400 -0.072 0.000 2.063 517 K HA -0.046 4.274 4.320 0.001 0.000 0.208 517 K C 2.353 178.882 176.600 -0.118 0.000 1.048 517 K CA 1.322 57.563 56.287 -0.076 0.000 0.928 517 K CB -0.835 31.620 32.500 -0.075 0.000 0.713 517 K HN 0.560 nan 8.250 nan 0.000 0.442 518 G N 1.480 110.193 108.800 -0.145 0.000 2.402 518 G HA2 -0.225 3.735 3.960 0.001 0.000 0.216 518 G HA3 -0.225 3.735 3.960 0.001 0.000 0.216 518 G C 1.411 176.158 174.900 -0.255 0.000 1.162 518 G CA 0.524 45.527 45.100 -0.163 0.000 0.777 518 G HN 0.106 nan 8.290 nan 0.000 0.539 519 K N 0.968 121.114 120.400 -0.423 0.000 2.026 519 K HA 0.021 4.342 4.320 0.001 0.000 0.208 519 K C 2.902 179.157 176.600 -0.575 0.000 1.048 519 K CA 1.235 57.078 56.287 -0.740 0.000 0.929 519 K CB -0.778 30.715 32.500 -1.678 0.000 0.713 519 K HN 0.261 nan 8.250 nan 0.000 0.439 520 A N 1.253 123.861 122.820 -0.354 0.000 1.902 520 A HA -0.149 4.172 4.320 0.001 0.000 0.217 520 A C 2.204 179.736 177.584 -0.086 0.000 1.181 520 A CA 1.194 53.160 52.037 -0.118 0.000 0.623 520 A CB -0.550 18.459 19.000 0.014 0.000 0.818 520 A HN 0.197 nan 8.150 nan 0.000 0.443 521 L N -0.327 120.835 121.223 -0.101 0.000 2.046 521 L HA -0.042 4.299 4.340 0.001 0.000 0.208 521 L C 2.706 179.536 176.870 -0.066 0.000 1.077 521 L CA 2.032 56.830 54.840 -0.070 0.000 0.747 521 L CB -0.845 41.171 42.059 -0.071 0.000 0.896 521 L HN 0.360 nan 8.230 nan 0.000 0.432 522 A N -1.041 121.719 122.820 -0.101 0.000 1.898 522 A HA -0.167 4.154 4.320 0.001 0.000 0.216 522 A C 2.194 179.750 177.584 -0.047 0.000 1.181 522 A CA 1.695 53.684 52.037 -0.079 0.000 0.620 522 A CB -0.881 18.051 19.000 -0.114 0.000 0.819 522 A HN 0.420 nan 8.150 nan 0.000 0.442 523 L N 0.136 121.321 121.223 -0.063 0.000 2.046 523 L HA -0.118 4.223 4.340 0.001 0.000 0.208 523 L C 2.181 179.078 176.870 0.045 0.000 1.077 523 L CA 2.563 57.404 54.840 0.001 0.000 0.747 523 L CB -0.804 41.269 42.059 0.024 0.000 0.896 523 L HN 0.588 nan 8.230 nan 0.000 0.432 524 E N -0.495 119.726 120.200 0.035 0.000 2.070 524 E HA -0.293 4.058 4.350 0.001 0.000 0.197 524 E C 2.120 178.765 176.600 0.075 0.000 1.004 524 E CA 1.736 58.171 56.400 0.058 0.000 0.805 524 E CB -0.013 29.700 29.700 0.021 0.000 0.744 524 E HN 0.496 nan 8.360 nan 0.000 0.451 525 K N 0.083 120.510 120.400 0.044 0.000 2.148 525 K HA -0.158 4.163 4.320 0.001 0.000 0.204 525 K C 2.300 178.972 176.600 0.119 0.000 1.050 525 K CA 1.076 57.407 56.287 0.073 0.000 0.942 525 K CB -0.069 32.451 32.500 0.032 0.000 0.724 525 K HN 0.173 nan 8.250 nan 0.000 0.446 526 Q N 0.982 120.833 119.800 0.085 0.000 2.079 526 Q HA -0.109 4.231 4.340 0.001 0.000 0.200 526 Q C 1.940 178.002 176.000 0.103 0.000 0.974 526 Q CA 1.113 56.968 55.803 0.085 0.000 0.840 526 Q CB 0.109 28.881 28.738 0.057 0.000 0.898 526 Q HN 0.325 nan 8.270 nan 0.000 0.430 527 L N -0.371 120.924 121.223 0.120 0.000 2.291 527 L HA -0.120 4.221 4.340 0.001 0.000 0.214 527 L C 2.205 179.138 176.870 0.105 0.000 1.120 527 L CA 0.614 55.540 54.840 0.143 0.000 0.799 527 L CB -0.381 41.804 42.059 0.210 0.000 0.925 527 L HN 0.277 nan 8.230 nan 0.000 0.446 528 Y N 0.935 121.220 120.300 -0.025 0.000 2.184 528 Y HA -0.175 4.375 4.550 0.001 0.000 0.290 528 Y C 2.632 178.411 175.900 -0.202 0.000 1.129 528 Y CA 1.354 59.374 58.100 -0.132 0.000 1.144 528 Y CB 0.152 38.549 38.460 -0.104 0.000 0.995 528 Y HN 0.067 nan 8.280 nan 0.000 0.513 529 E N 0.555 120.801 120.200 0.076 0.000 2.085 529 E HA -0.279 4.072 4.350 0.001 0.000 0.194 529 E C 2.079 178.708 176.600 0.047 0.000 0.994 529 E CA 1.537 58.027 56.400 0.150 0.000 0.801 529 E CB -0.334 29.494 29.700 0.213 0.000 0.743 529 E HN 0.675 nan 8.360 nan 0.000 0.453 530 E N 0.152 120.363 120.200 0.018 0.000 2.160 530 E HA -0.188 4.163 4.350 0.001 0.000 0.195 530 E C 1.966 178.549 176.600 -0.028 0.000 0.991 530 E CA 0.428 56.846 56.400 0.030 0.000 0.810 530 E CB 0.057 29.795 29.700 0.063 0.000 0.742 530 E HN 0.033 nan 8.360 nan 0.000 0.466 531 L N 0.164 121.276 121.223 -0.186 0.000 2.079 531 L HA -0.166 4.175 4.340 0.001 0.000 0.210 531 L C 1.924 178.671 176.870 -0.204 0.000 1.081 531 L CA 1.496 56.176 54.840 -0.267 0.000 0.752 531 L CB -0.761 40.976 42.059 -0.536 0.000 0.896 531 L HN 0.210 nan 8.230 nan 0.000 0.433 532 F N 0.122 119.993 119.950 -0.131 0.000 2.102 532 F HA -0.198 4.330 4.527 0.002 0.000 0.298 532 F C 2.381 178.155 175.800 -0.042 0.000 1.105 532 F CA 1.227 59.171 58.000 -0.093 0.000 1.239 532 F CB -0.972 37.977 39.000 -0.086 0.000 0.991 532 F HN 0.195 nan 8.300 nan 0.000 0.474 533 D N 0.102 120.599 120.400 0.161 0.000 2.182 533 D HA -0.142 4.499 4.640 0.001 0.000 0.201 533 D C 2.367 178.706 176.300 0.065 0.000 0.986 533 D CA 1.089 55.144 54.000 0.092 0.000 0.847 533 D CB -0.399 40.445 40.800 0.072 0.000 0.942 533 D HN 0.290 nan 8.370 nan 0.000 0.467 534 L N -0.135 121.129 121.223 0.068 0.000 2.270 534 L HA 0.041 4.382 4.340 0.001 0.000 0.210 534 L C 2.359 179.305 176.870 0.127 0.000 1.104 534 L CA 0.241 55.131 54.840 0.083 0.000 0.804 534 L CB 0.025 42.132 42.059 0.080 0.000 0.937 534 L HN -0.018 nan 8.230 nan 0.000 0.450 535 L N -1.332 119.960 121.223 0.115 0.000 2.202 535 L HA -0.100 4.241 4.340 0.001 0.000 0.205 535 L C 2.332 179.280 176.870 0.131 0.000 1.083 535 L CA 0.143 55.078 54.840 0.157 0.000 0.790 535 L CB -0.211 41.916 42.059 0.113 0.000 0.942 535 L HN 0.169 nan 8.230 nan 0.000 0.452 536 L N 0.671 121.942 121.223 0.080 0.000 2.043 536 L HA -0.145 4.196 4.340 0.001 0.000 0.212 536 L C -0.204 176.647 176.870 -0.032 0.000 1.075 536 L CA 2.178 57.038 54.840 0.033 0.000 0.752 536 L CB -2.082 39.995 42.059 0.029 0.000 0.891 536 L HN 0.130 nan 8.230 nan 0.000 0.432 537 P HA -0.148 nan 4.420 nan 0.000 0.220 537 P C 0.600 177.691 177.300 -0.349 0.000 1.144 537 P CA 1.501 64.439 63.100 -0.270 0.000 0.800 537 P CB -0.094 31.361 31.700 -0.409 0.000 0.772 538 H N -2.642 116.454 119.070 0.042 0.000 2.520 538 H HA 0.161 4.718 4.556 0.001 0.000 0.284 538 H C 1.551 176.897 175.328 0.029 0.000 1.037 538 H CA -0.472 55.604 56.048 0.047 0.000 1.168 538 H CB -0.301 29.485 29.762 0.040 0.000 1.497 538 H HN -0.045 nan 8.280 nan 0.000 0.547 539 L N 1.392 122.666 121.223 0.084 0.000 2.013 539 L HA -0.219 4.122 4.340 0.001 0.000 0.212 539 L C 2.234 179.155 176.870 0.085 0.000 1.073 539 L CA 1.923 56.804 54.840 0.068 0.000 0.753 539 L CB -0.362 41.730 42.059 0.054 0.000 0.890 539 L HN 0.366 nan 8.230 nan 0.000 0.432 540 E N -0.961 119.296 120.200 0.096 0.000 2.058 540 E HA -0.243 4.108 4.350 0.001 0.000 0.194 540 E C 2.064 178.743 176.600 0.131 0.000 0.997 540 E CA 1.240 57.703 56.400 0.105 0.000 0.801 540 E CB -0.198 29.559 29.700 0.096 0.000 0.746 540 E HN 0.633 nan 8.360 nan 0.000 0.450 541 A N 0.519 123.443 122.820 0.173 0.000 1.968 541 A HA -0.085 4.235 4.320 0.001 0.000 0.217 541 A C 2.122 179.871 177.584 0.275 0.000 1.169 541 A CA 0.740 52.926 52.037 0.248 0.000 0.638 541 A CB -0.433 18.773 19.000 0.345 0.000 0.812 541 A HN 0.270 nan 8.150 nan 0.000 0.446 542 L N -0.808 120.483 121.223 0.113 0.000 2.093 542 L HA -0.223 4.117 4.340 0.001 0.000 0.208 542 L C 2.838 179.753 176.870 0.074 0.000 1.085 542 L CA 1.330 56.151 54.840 -0.033 0.000 0.755 542 L CB -0.423 41.550 42.059 -0.142 0.000 0.904 542 L HN 0.470 nan 8.230 nan 0.000 0.435 543 Q N -0.804 119.049 119.800 0.089 0.000 2.079 543 Q HA -0.204 4.136 4.340 0.001 0.000 0.200 543 Q C 2.275 178.340 176.000 0.109 0.000 0.974 543 Q CA 0.992 56.851 55.803 0.092 0.000 0.840 543 Q CB -0.052 28.742 28.738 0.093 0.000 0.898 543 Q HN 0.450 nan 8.270 nan 0.000 0.430 544 Q N 0.062 119.939 119.800 0.128 0.000 2.135 544 Q HA -0.143 4.198 4.340 0.001 0.000 0.204 544 Q C 2.157 178.243 176.000 0.144 0.000 0.981 544 Q CA 1.341 57.220 55.803 0.127 0.000 0.856 544 Q CB -0.437 28.377 28.738 0.127 0.000 0.902 544 Q HN 0.234 nan 8.270 nan 0.000 0.425 545 S N 0.281 116.101 115.700 0.200 0.000 2.355 545 S HA -0.102 4.369 4.470 0.001 0.000 0.222 545 S C 1.974 176.671 174.600 0.161 0.000 1.031 545 S CA 1.239 59.578 58.200 0.231 0.000 0.993 545 S CB -0.110 63.351 63.200 0.435 0.000 0.859 545 S HN 0.419 nan 8.310 nan 0.000 0.453 546 A N 0.502 123.400 122.820 0.129 0.000 1.972 546 A HA -0.039 4.282 4.320 0.001 0.000 0.219 546 A C 2.406 180.034 177.584 0.075 0.000 1.169 546 A CA 2.089 54.178 52.037 0.087 0.000 0.635 546 A CB -1.261 17.776 19.000 0.060 0.000 0.810 546 A HN 0.628 nan 8.150 nan 0.000 0.446 547 S N -0.382 115.369 115.700 0.085 0.000 2.383 547 S HA 0.010 4.481 4.470 0.001 0.000 0.227 547 S C 2.099 176.750 174.600 0.084 0.000 1.026 547 S CA 1.489 59.739 58.200 0.084 0.000 0.981 547 S CB -0.402 62.853 63.200 0.093 0.000 0.818 547 S HN 0.789 nan 8.310 nan 0.000 0.472 548 A N 1.181 124.054 122.820 0.088 0.000 1.929 548 A HA 0.210 4.531 4.320 0.001 0.000 0.216 548 A C 2.178 179.798 177.584 0.060 0.000 1.176 548 A CA 0.987 53.071 52.037 0.079 0.000 0.628 548 A CB -0.653 18.393 19.000 0.076 0.000 0.816 548 A HN 0.562 nan 8.150 nan 0.000 0.444 549 L N -0.705 120.556 121.223 0.062 0.000 2.083 549 L HA -0.188 4.152 4.340 0.001 0.000 0.209 549 L C 3.059 179.939 176.870 0.017 0.000 1.083 549 L CA 1.092 55.958 54.840 0.044 0.000 0.752 549 L CB -0.466 41.628 42.059 0.057 0.000 0.899 549 L HN 0.432 nan 8.230 nan 0.000 0.433 550 A N -0.395 122.433 122.820 0.013 0.000 1.898 550 A HA -0.234 4.087 4.320 0.001 0.000 0.216 550 A C 2.261 179.806 177.584 -0.065 0.000 1.181 550 A CA 1.649 53.670 52.037 -0.026 0.000 0.620 550 A CB -0.445 18.543 19.000 -0.019 0.000 0.819 550 A HN 0.441 nan 8.150 nan 0.000 0.442 551 E N -0.167 120.026 120.200 -0.011 0.000 2.077 551 E HA -0.147 4.204 4.350 0.001 0.000 0.193 551 E C 1.911 178.507 176.600 -0.008 0.000 0.989 551 E CA 0.928 57.331 56.400 0.005 0.000 0.800 551 E CB -0.202 29.591 29.700 0.155 0.000 0.746 551 E HN 0.613 nan 8.360 nan 0.000 0.452 552 L N 0.871 122.100 121.223 0.009 0.000 2.042 552 L HA -0.220 4.121 4.340 0.001 0.000 0.210 552 L C 2.415 179.268 176.870 -0.027 0.000 1.076 552 L CA 1.539 56.380 54.840 0.001 0.000 0.749 552 L CB -0.367 41.696 42.059 0.007 0.000 0.893 552 L HN 0.244 nan 8.230 nan 0.000 0.432 553 D N -0.465 119.908 120.400 -0.046 0.000 2.117 553 D HA -0.149 4.491 4.640 0.001 0.000 0.197 553 D C 2.114 178.354 176.300 -0.099 0.000 0.987 553 D CA 1.086 55.050 54.000 -0.060 0.000 0.829 553 D CB 0.115 40.880 40.800 -0.058 0.000 0.961 553 D HN 0.036 nan 8.370 nan 0.000 0.460 554 V N 0.492 120.302 119.914 -0.173 0.000 2.261 554 V HA -0.222 3.899 4.120 0.001 0.000 0.246 554 V C 2.727 178.733 176.094 -0.146 0.000 1.047 554 V CA 1.461 63.599 62.300 -0.270 0.000 1.015 554 V CB -0.532 30.901 31.823 -0.649 0.000 0.642 554 V HN 0.274 nan 8.190 nan 0.000 0.446 555 L N -0.642 120.538 121.223 -0.072 0.000 2.056 555 L HA -0.122 4.218 4.340 0.001 0.000 0.207 555 L C 2.478 179.343 176.870 -0.008 0.000 1.078 555 L CA 0.936 55.788 54.840 0.021 0.000 0.749 555 L CB -0.730 41.379 42.059 0.083 0.000 0.901 555 L HN 0.170 nan 8.230 nan 0.000 0.433 556 V N 0.671 120.573 119.914 -0.019 0.000 2.287 556 V HA -0.330 3.791 4.120 0.001 0.000 0.248 556 V C 2.438 178.517 176.094 -0.024 0.000 1.053 556 V CA 2.250 64.540 62.300 -0.016 0.000 1.027 556 V CB -0.790 31.027 31.823 -0.009 0.000 0.646 556 V HN 0.635 nan 8.190 nan 0.000 0.447 557 N N 0.327 119.006 118.700 -0.034 0.000 2.120 557 N HA -0.174 4.567 4.740 0.001 0.000 0.188 557 N C 1.917 177.409 175.510 -0.030 0.000 1.024 557 N CA 1.688 54.717 53.050 -0.035 0.000 0.852 557 N CB -0.138 38.320 38.487 -0.049 0.000 1.003 557 N HN 0.467 nan 8.380 nan 0.000 0.424 558 L N 0.702 121.911 121.223 -0.023 0.000 2.141 558 L HA -0.082 4.259 4.340 0.001 0.000 0.209 558 L C 2.720 179.559 176.870 -0.053 0.000 1.094 558 L CA 1.046 55.885 54.840 -0.001 0.000 0.763 558 L CB -0.434 41.655 42.059 0.051 0.000 0.908 558 L HN 0.229 nan 8.230 nan 0.000 0.437 559 A N -0.478 122.295 122.820 -0.077 0.000 1.930 559 A HA -0.211 4.110 4.320 0.001 0.000 0.217 559 A C 2.328 179.872 177.584 -0.067 0.000 1.175 559 A CA 1.524 53.486 52.037 -0.126 0.000 0.627 559 A CB -0.385 18.559 19.000 -0.092 0.000 0.815 559 A HN 0.380 nan 8.150 nan 0.000 0.443 560 E N 0.018 120.200 120.200 -0.029 0.000 2.106 560 E HA -0.190 4.161 4.350 0.001 0.000 0.192 560 E C 2.043 178.639 176.600 -0.006 0.000 0.984 560 E CA 0.787 57.197 56.400 0.016 0.000 0.806 560 E CB -0.192 29.514 29.700 0.010 0.000 0.750 560 E HN 0.325 nan 8.360 nan 0.000 0.458 561 R N 0.622 121.083 120.500 -0.066 0.000 2.073 561 R HA -0.001 4.339 4.340 0.001 0.000 0.234 561 R C 2.359 178.471 176.300 -0.313 0.000 1.134 561 R CA 1.280 57.282 56.100 -0.164 0.000 0.952 561 R CB -1.464 28.770 30.300 -0.111 0.000 0.850 561 R HN 0.250 nan 8.270 nan 0.000 0.433 562 A N 0.293 123.005 122.820 -0.179 0.000 1.908 562 A HA -0.236 4.084 4.320 0.001 0.000 0.218 562 A C 2.142 179.699 177.584 -0.047 0.000 1.181 562 A CA 1.622 53.597 52.037 -0.102 0.000 0.627 562 A CB -0.741 18.214 19.000 -0.076 0.000 0.818 562 A HN 0.427 nan 8.150 nan 0.000 0.445 563 Y N 0.819 121.039 120.300 -0.134 0.000 2.153 563 Y HA -0.110 4.441 4.550 0.001 0.000 0.289 563 Y C 2.668 178.504 175.900 -0.107 0.000 1.127 563 Y CA 2.227 60.278 58.100 -0.082 0.000 1.131 563 Y CB -0.844 37.575 38.460 -0.068 0.000 0.995 563 Y HN 0.269 nan 8.280 nan 0.000 0.505 564 T N 1.481 115.894 114.554 -0.236 0.000 2.708 564 T HA -0.132 4.218 4.350 0.001 0.000 0.266 564 T C 1.743 176.249 174.700 -0.323 0.000 1.037 564 T CA 1.893 63.794 62.100 -0.332 0.000 1.146 564 T CB -0.474 68.301 68.868 -0.156 0.000 0.865 564 T HN 0.304 nan 8.240 nan 0.000 0.435 565 L N 1.137 122.127 121.223 -0.389 0.000 2.591 565 L HA 0.249 4.590 4.340 0.001 0.000 0.228 565 L C 0.726 177.413 176.870 -0.305 0.000 1.133 565 L CA -0.066 54.521 54.840 -0.422 0.000 0.880 565 L CB -0.745 40.890 42.059 -0.705 0.000 1.033 565 L HN 0.460 nan 8.230 nan 0.000 0.450 566 N N 0.599 119.163 118.700 -0.227 0.000 2.663 566 N HA -0.210 4.530 4.740 0.001 0.000 0.263 566 N C -1.118 174.525 175.510 0.221 0.000 1.109 566 N CA -0.023 53.013 53.050 -0.023 0.000 0.701 566 N CB -0.368 38.113 38.487 -0.010 0.000 0.879 566 N HN 0.131 nan 8.380 nan 0.000 0.550 567 Y N 0.111 120.452 120.300 0.069 0.000 2.534 567 Y HA 0.623 5.173 4.550 0.002 0.000 0.329 567 Y C 1.067 177.053 175.900 0.143 0.000 1.154 567 Y CA -0.749 57.409 58.100 0.096 0.000 1.192 567 Y CB 1.574 40.118 38.460 0.141 0.000 1.275 567 Y HN 0.137 nan 8.280 nan 0.000 0.491 568 T N 0.014 114.683 114.554 0.191 0.000 2.916 568 T HA 0.347 4.698 4.350 0.001 0.000 0.292 568 T C -1.121 173.357 174.700 -0.370 0.000 1.055 568 T CA -0.475 61.604 62.100 -0.036 0.000 1.009 568 T CB 0.801 69.632 68.868 -0.062 0.000 1.118 568 T HN 0.793 nan 8.240 nan 0.000 0.497 569 C N 6.403 125.260 119.300 -0.738 0.000 2.482 569 C HA 0.649 5.110 4.460 0.001 0.000 0.378 569 C C -1.994 172.700 174.990 -0.494 0.000 1.284 569 C CA -1.632 56.823 59.018 -0.937 0.000 1.826 569 C CB -0.326 26.818 27.740 -0.995 0.000 2.473 569 C HN 0.660 nan 8.230 nan 0.000 0.562 570 P HA 0.341 nan 4.420 nan 0.000 0.281 570 P C -0.564 176.348 177.300 -0.648 0.000 1.249 570 P CA 0.192 63.004 63.100 -0.480 0.000 0.810 570 P CB 1.256 32.660 31.700 -0.493 0.000 1.008 571 T N -1.207 112.993 114.554 -0.591 0.000 2.940 571 T HA 0.685 5.036 4.350 0.001 0.000 0.288 571 T C -0.426 173.869 174.700 -0.674 0.000 1.033 571 T CA -0.573 61.182 62.100 -0.575 0.000 1.033 571 T CB 0.674 69.388 68.868 -0.256 0.000 1.079 571 T HN 0.134 nan 8.240 nan 0.000 0.496 572 F N 1.151 121.053 119.950 -0.081 0.000 2.450 572 F HA 0.668 5.197 4.527 0.003 0.000 0.332 572 F C 0.373 176.160 175.800 -0.022 0.000 1.093 572 F CA -1.501 56.465 58.000 -0.057 0.000 1.003 572 F CB 1.301 40.271 39.000 -0.051 0.000 1.151 572 F HN 0.694 nan 8.300 nan 0.000 0.474 573 I N -1.566 119.107 120.570 0.172 0.000 2.797 573 I HA 0.538 4.709 4.170 0.001 0.000 0.307 573 I C 0.131 176.309 176.117 0.101 0.000 1.033 573 I CA -0.825 60.533 61.300 0.097 0.000 1.071 573 I CB 1.728 39.754 38.000 0.043 0.000 1.255 573 I HN 0.422 nan 8.210 nan 0.000 0.445 574 D N 2.127 122.568 120.400 0.069 0.000 2.144 574 D HA -0.047 4.594 4.640 0.001 0.000 0.200 574 D C 0.262 176.589 176.300 0.045 0.000 0.978 574 D CA 1.668 55.707 54.000 0.066 0.000 0.833 574 D CB 0.059 40.890 40.800 0.052 0.000 0.961 574 D HN 0.496 nan 8.370 nan 0.000 0.470 575 K N 0.695 121.097 120.400 0.003 0.000 2.123 575 K HA 0.305 4.626 4.320 0.001 0.000 0.248 575 K C -2.504 174.023 176.600 -0.122 0.000 0.969 575 K CA -1.995 54.251 56.287 -0.070 0.000 0.882 575 K CB 1.811 34.279 32.500 -0.053 0.000 1.080 575 K HN -0.152 nan 8.250 nan 0.000 0.441 576 P HA 0.088 nan 4.420 nan 0.000 0.264 576 P C -0.506 176.726 177.300 -0.114 0.000 1.193 576 P CA 0.045 62.997 63.100 -0.246 0.000 0.763 576 P CB 0.806 32.254 31.700 -0.420 0.000 0.810 577 G N 1.991 110.761 108.800 -0.051 0.000 2.355 577 G HA2 0.509 4.470 3.960 0.001 0.000 0.296 577 G HA3 0.509 4.470 3.960 0.001 0.000 0.296 577 G C -1.982 172.917 174.900 -0.002 0.000 1.507 577 G CA -0.677 44.407 45.100 -0.026 0.000 0.823 577 G HN 0.397 nan 8.290 nan 0.000 0.569 578 I N 0.519 121.085 120.570 -0.006 0.000 2.548 578 I HA 0.471 4.641 4.170 0.001 0.000 0.287 578 I C -0.455 175.652 176.117 -0.017 0.000 1.103 578 I CA -0.762 60.532 61.300 -0.009 0.000 1.049 578 I CB 2.429 40.422 38.000 -0.011 0.000 1.232 578 I HN 0.290 nan 8.210 nan 0.000 0.429 579 R N 7.070 127.553 120.500 -0.028 0.000 2.371 579 R HA 0.672 5.013 4.340 0.001 0.000 0.312 579 R C -1.110 175.168 176.300 -0.036 0.000 0.980 579 R CA -0.623 55.462 56.100 -0.024 0.000 0.867 579 R CB 2.144 32.429 30.300 -0.025 0.000 1.163 579 R HN 0.541 nan 8.270 nan 0.000 0.492 580 I N 1.881 122.439 120.570 -0.020 0.000 2.404 580 I HA 0.305 4.476 4.170 0.001 0.000 0.293 580 I C -0.070 176.049 176.117 0.003 0.000 0.992 580 I CA -0.653 60.634 61.300 -0.022 0.000 1.149 580 I CB 2.437 40.423 38.000 -0.023 0.000 1.315 580 I HN 0.377 nan 8.210 nan 0.000 0.446 581 T N 4.954 119.504 114.554 -0.006 0.000 2.770 581 T HA 0.221 4.572 4.350 0.001 0.000 0.283 581 T C -0.410 174.303 174.700 0.020 0.000 0.988 581 T CA -0.404 61.702 62.100 0.010 0.000 0.957 581 T CB 0.750 69.616 68.868 -0.003 0.000 0.930 581 T HN 0.532 nan 8.240 nan 0.000 0.443 582 E N 1.135 121.363 120.200 0.047 0.000 2.291 582 E HA -0.132 4.218 4.350 0.001 0.000 0.181 582 E C 0.373 177.012 176.600 0.066 0.000 1.480 582 E CA 0.581 57.021 56.400 0.067 0.000 0.674 582 E CB -1.250 28.483 29.700 0.054 0.000 1.108 582 E HN 0.897 nan 8.360 nan 0.000 0.357 583 G N 1.024 109.877 108.800 0.087 0.000 2.400 583 G HA2 0.602 4.563 3.960 0.001 0.000 0.301 583 G HA3 0.602 4.563 3.960 0.001 0.000 0.301 583 G C 0.014 174.987 174.900 0.123 0.000 1.154 583 G CA -0.655 44.478 45.100 0.056 0.000 0.852 583 G HN 0.093 nan 8.290 nan 0.000 0.511 584 R N -0.317 120.171 120.500 -0.020 0.000 2.854 584 R HA 0.357 4.698 4.340 0.001 0.000 0.271 584 R C -0.641 175.453 176.300 -0.343 0.000 0.994 584 R CA -0.987 54.974 56.100 -0.232 0.000 0.945 584 R CB 1.522 31.589 30.300 -0.388 0.000 1.194 584 R HN 0.605 nan 8.270 nan 0.000 0.476 585 H N 4.370 123.004 119.070 -0.725 0.000 2.723 585 H HA 0.138 4.695 4.556 0.002 0.000 0.294 585 H C -1.659 173.439 175.328 -0.383 0.000 1.079 585 H CA -2.171 53.654 56.048 -0.371 0.000 1.411 585 H CB 1.349 31.023 29.762 -0.146 0.000 1.439 585 H HN 0.360 nan 8.280 nan 0.000 0.474 586 P HA -0.157 nan 4.420 nan 0.000 0.219 586 P C 1.299 178.634 177.300 0.057 0.000 1.146 586 P CA 0.674 63.727 63.100 -0.078 0.000 0.808 586 P CB 0.767 32.393 31.700 -0.122 0.000 0.779 587 V N -0.067 119.977 119.914 0.216 0.000 2.326 587 V HA -0.108 4.013 4.120 0.001 0.000 0.238 587 V C 2.805 178.962 176.094 0.103 0.000 1.038 587 V CA 1.069 63.476 62.300 0.178 0.000 1.032 587 V CB -1.170 30.787 31.823 0.223 0.000 0.675 587 V HN -0.132 nan 8.190 nan 0.000 0.467 588 V N 1.747 121.699 119.914 0.063 0.000 2.370 588 V HA -0.334 3.786 4.120 0.001 0.000 0.252 588 V C 2.508 178.620 176.094 0.031 0.000 1.068 588 V CA 2.541 64.800 62.300 -0.068 0.000 1.061 588 V CB -0.957 30.739 31.823 -0.211 0.000 0.656 588 V HN 0.896 nan 8.190 nan 0.000 0.455 589 E N -0.728 119.430 120.200 -0.070 0.000 2.478 589 E HA -0.189 4.162 4.350 0.001 0.000 0.198 589 E C 1.887 178.495 176.600 0.014 0.000 1.046 589 E CA 0.698 57.068 56.400 -0.051 0.000 0.870 589 E CB -0.056 29.465 29.700 -0.298 0.000 0.818 589 E HN 0.561 nan 8.360 nan 0.000 0.527 590 Q N 0.366 120.174 119.800 0.014 0.000 2.324 590 Q HA 0.033 4.373 4.340 0.001 0.000 0.207 590 Q C 2.324 178.336 176.000 0.020 0.000 0.928 590 Q CA 0.990 56.803 55.803 0.017 0.000 0.890 590 Q CB 0.205 28.953 28.738 0.016 0.000 1.001 590 Q HN 0.311 nan 8.270 nan 0.000 0.517 591 V N 0.706 120.633 119.914 0.021 0.000 2.302 591 V HA -0.026 4.095 4.120 0.001 0.000 0.243 591 V C 0.953 177.060 176.094 0.021 0.000 1.036 591 V CA 0.387 62.697 62.300 0.016 0.000 1.020 591 V CB -0.330 31.497 31.823 0.008 0.000 0.657 591 V HN 0.234 nan 8.190 nan 0.000 0.453 592 L N 2.705 123.947 121.223 0.032 0.000 2.628 592 L HA 0.097 4.438 4.340 0.001 0.000 0.274 592 L C 0.368 177.261 176.870 0.038 0.000 1.209 592 L CA 0.687 55.549 54.840 0.036 0.000 0.930 592 L CB -0.585 41.512 42.059 0.063 0.000 1.183 592 L HN 0.401 nan 8.230 nan 0.000 0.492 593 N N 6.327 125.044 118.700 0.027 0.000 3.245 593 N HA 0.159 4.900 4.740 0.001 0.000 0.296 593 N C -0.874 174.654 175.510 0.030 0.000 1.254 593 N CA 0.069 53.135 53.050 0.026 0.000 1.190 593 N CB -0.088 38.411 38.487 0.020 0.000 1.460 593 N HN 0.768 nan 8.380 nan 0.000 0.538 594 E N -1.335 118.888 120.200 0.039 0.000 2.418 594 E HA 0.197 4.548 4.350 0.001 0.000 0.283 594 E C -3.211 173.424 176.600 0.058 0.000 1.178 594 E CA -1.234 55.190 56.400 0.041 0.000 0.929 594 E CB -0.285 29.436 29.700 0.035 0.000 1.177 594 E HN -0.124 nan 8.360 nan 0.000 0.429 595 P HA 0.033 nan 4.420 nan 0.000 0.265 595 P C -1.209 176.154 177.300 0.105 0.000 1.187 595 P CA 0.116 63.268 63.100 0.086 0.000 0.766 595 P CB 0.117 31.855 31.700 0.063 0.000 0.820 596 F N 3.890 123.844 119.950 0.008 0.000 2.404 596 F HA 0.299 4.826 4.527 0.001 0.000 0.345 596 F C 0.079 175.892 175.800 0.021 0.000 1.110 596 F CA -0.881 57.118 58.000 -0.001 0.000 1.130 596 F CB 0.468 39.474 39.000 0.010 0.000 1.129 596 F HN 0.108 nan 8.300 nan 0.000 0.500 597 I N 6.683 127.036 120.570 -0.363 0.000 2.406 597 I HA 0.175 4.346 4.170 0.001 0.000 0.293 597 I C 0.703 176.828 176.117 0.014 0.000 1.101 597 I CA -0.307 60.912 61.300 -0.134 0.000 1.334 597 I CB -0.513 37.403 38.000 -0.140 0.000 1.421 597 I HN 0.652 nan 8.210 nan 0.000 0.513 598 A N 7.685 130.635 122.820 0.216 0.000 2.462 598 A HA 0.385 4.706 4.320 0.001 0.000 0.243 598 A C 0.298 177.984 177.584 0.170 0.000 1.076 598 A CA -0.180 52.020 52.037 0.272 0.000 0.773 598 A CB 0.231 19.348 19.000 0.195 0.000 1.010 598 A HN 0.774 nan 8.150 nan 0.000 0.493 599 N N 1.186 120.014 118.700 0.212 0.000 2.262 599 N HA 0.636 5.376 4.740 0.001 0.000 0.295 599 N C -3.080 172.547 175.510 0.196 0.000 1.161 599 N CA -1.066 52.090 53.050 0.177 0.000 0.767 599 N CB 2.681 41.292 38.487 0.206 0.000 1.499 599 N HN 0.434 nan 8.380 nan 0.000 0.476 600 P HA 0.514 nan 4.420 nan 0.000 0.283 600 P C -1.197 176.231 177.300 0.214 0.000 1.278 600 P CA -0.604 62.578 63.100 0.137 0.000 0.834 600 P CB 1.693 33.440 31.700 0.077 0.000 1.150 601 L N 0.220 121.522 121.223 0.131 0.000 2.505 601 L HA 0.551 4.892 4.340 0.001 0.000 0.259 601 L C -1.561 175.344 176.870 0.059 0.000 0.952 601 L CA -0.323 54.593 54.840 0.126 0.000 0.840 601 L CB 1.944 44.021 42.059 0.031 0.000 1.358 601 L HN 0.467 nan 8.230 nan 0.000 0.409 602 N N 5.166 123.900 118.700 0.058 0.000 2.581 602 N HA 0.517 5.258 4.740 0.001 0.000 0.279 602 N C -1.985 173.540 175.510 0.025 0.000 1.124 602 N CA -0.412 52.657 53.050 0.030 0.000 0.833 602 N CB 1.032 39.536 38.487 0.029 0.000 1.338 602 N HN 0.624 nan 8.380 nan 0.000 0.533 603 L N 2.134 123.363 121.223 0.011 0.000 2.346 603 L HA 0.614 4.954 4.340 0.001 0.000 0.274 603 L C -0.095 176.771 176.870 -0.006 0.000 1.007 603 L CA -0.434 54.408 54.840 0.005 0.000 0.818 603 L CB 1.918 43.978 42.059 0.002 0.000 1.284 603 L HN 0.592 nan 8.230 nan 0.000 0.424 604 S N 1.211 116.904 115.700 -0.011 0.000 2.672 604 S HA 0.531 5.002 4.470 0.001 0.000 0.271 604 S C -2.655 171.930 174.600 -0.026 0.000 1.171 604 S CA -1.016 57.172 58.200 -0.021 0.000 0.817 604 S CB 1.765 64.956 63.200 -0.015 0.000 1.150 604 S HN 0.284 nan 8.310 nan 0.000 0.478 605 P HA 0.073 nan 4.420 nan 0.000 0.223 605 P C 0.879 178.167 177.300 -0.021 0.000 1.151 605 P CA 1.077 64.157 63.100 -0.032 0.000 0.787 605 P CB 0.034 31.713 31.700 -0.035 0.000 0.788 606 Q N -1.285 118.505 119.800 -0.017 0.000 2.250 606 Q HA 0.059 4.399 4.340 0.001 0.000 0.200 606 Q C 1.299 177.290 176.000 -0.014 0.000 0.941 606 Q CA 0.765 56.560 55.803 -0.013 0.000 0.872 606 Q CB -0.004 28.728 28.738 -0.009 0.000 0.965 606 Q HN 0.096 nan 8.270 nan 0.000 0.480 607 R N 1.136 121.629 120.500 -0.012 0.000 2.724 607 R HA 0.211 4.552 4.340 0.001 0.000 0.284 607 R C 0.298 176.593 176.300 -0.008 0.000 1.481 607 R CA -0.080 56.014 56.100 -0.009 0.000 1.652 607 R CB 0.192 30.491 30.300 -0.001 0.000 1.175 607 R HN 0.148 nan 8.270 nan 0.000 0.613 608 R N 1.709 122.200 120.500 -0.015 0.000 2.308 608 R HA 0.238 4.579 4.340 0.001 0.000 0.202 608 R C 0.350 176.646 176.300 -0.007 0.000 0.898 608 R CA 0.053 56.145 56.100 -0.013 0.000 1.046 608 R CB 0.547 30.835 30.300 -0.019 0.000 1.026 608 R HN 0.262 nan 8.270 nan 0.000 0.512 609 M N 1.750 121.340 119.600 -0.017 0.000 2.213 609 M HA 0.388 4.869 4.480 0.001 0.000 0.286 609 M C -1.986 174.307 176.300 -0.011 0.000 1.008 609 M CA -0.756 54.534 55.300 -0.016 0.000 0.937 609 M CB 2.125 34.686 32.600 -0.065 0.000 1.600 609 M HN 0.041 nan 8.290 nan 0.000 0.450 610 L N 6.250 127.492 121.223 0.033 0.000 2.287 610 L HA 0.549 4.890 4.340 0.001 0.000 0.287 610 L C -0.721 176.192 176.870 0.072 0.000 1.022 610 L CA -0.695 54.175 54.840 0.050 0.000 0.814 610 L CB 1.783 43.899 42.059 0.095 0.000 1.217 610 L HN 0.725 nan 8.230 nan 0.000 0.420 611 I N 4.769 125.353 120.570 0.024 0.000 2.325 611 I HA 0.288 4.459 4.170 0.001 0.000 0.291 611 I C -0.173 175.979 176.117 0.058 0.000 1.019 611 I CA -0.150 61.175 61.300 0.042 0.000 1.302 611 I CB 1.081 39.044 38.000 -0.061 0.000 1.401 611 I HN 0.434 nan 8.210 nan 0.000 0.485 612 I N 6.485 127.112 120.570 0.096 0.000 2.362 612 I HA 0.347 4.518 4.170 0.001 0.000 0.289 612 I C 0.271 176.409 176.117 0.035 0.000 0.994 612 I CA -0.285 61.059 61.300 0.073 0.000 1.158 612 I CB 1.601 39.662 38.000 0.102 0.000 1.315 612 I HN 0.560 nan 8.210 nan 0.000 0.451 613 T N 1.822 116.402 114.554 0.042 0.000 2.910 613 T HA 0.982 5.333 4.350 0.001 0.000 0.287 613 T C -0.070 174.705 174.700 0.124 0.000 1.050 613 T CA -0.974 61.154 62.100 0.047 0.000 1.011 613 T CB 2.291 71.159 68.868 0.001 0.000 1.195 613 T HN 1.025 nan 8.240 nan 0.000 0.540 614 G N 0.558 109.466 108.800 0.179 0.000 2.345 614 G HA2 0.424 4.385 3.960 0.001 0.000 0.310 614 G HA3 0.424 4.385 3.960 0.001 0.000 0.310 614 G C -3.485 171.557 174.900 0.238 0.000 1.476 614 G CA -0.908 44.317 45.100 0.207 0.000 0.978 614 G HN 0.730 nan 8.290 nan 0.000 0.656 615 P HA 0.254 nan 4.420 nan 0.000 0.276 615 P C -0.134 177.288 177.300 0.203 0.000 1.252 615 P CA -0.501 62.776 63.100 0.294 0.000 0.802 615 P CB 0.578 32.372 31.700 0.156 0.000 1.035 616 N N 1.848 120.700 118.700 0.252 0.000 2.357 616 N HA 0.033 4.774 4.740 0.001 0.000 0.257 616 N C 0.778 176.173 175.510 -0.193 0.000 1.250 616 N CA 0.577 53.690 53.050 0.106 0.000 0.862 616 N CB -0.572 37.965 38.487 0.082 0.000 1.066 616 N HN 0.488 nan 8.380 nan 0.000 0.468 617 M N -1.309 118.135 119.600 -0.260 0.000 2.939 617 M HA -0.214 4.267 4.480 0.001 0.000 0.194 617 M C 1.109 176.980 176.300 -0.715 0.000 0.617 617 M CA 1.163 56.160 55.300 -0.505 0.000 0.734 617 M CB -1.875 30.315 32.600 -0.683 0.000 2.637 617 M HN 0.727 nan 8.290 nan 0.000 0.316 618 G N -0.264 108.276 108.800 -0.432 0.000 2.813 618 G HA2 0.381 4.342 3.960 0.001 0.000 0.209 618 G HA3 0.381 4.342 3.960 0.001 0.000 0.209 618 G C 1.213 176.093 174.900 -0.034 0.000 1.150 618 G CA 0.770 45.736 45.100 -0.224 0.000 0.785 618 G HN 1.209 nan 8.290 nan 0.000 0.535 619 G N -0.211 108.575 108.800 -0.022 0.000 2.154 619 G HA2 -0.212 3.748 3.960 0.001 0.000 0.186 619 G HA3 -0.212 3.748 3.960 0.001 0.000 0.186 619 G C 1.073 175.997 174.900 0.040 0.000 1.000 619 G CA 0.520 45.641 45.100 0.035 0.000 0.664 619 G HN 0.462 nan 8.290 nan 0.000 0.513 620 K N 0.618 121.025 120.400 0.012 0.000 1.978 620 K HA -0.042 4.279 4.320 0.001 0.000 0.214 620 K C 2.604 179.256 176.600 0.087 0.000 1.049 620 K CA 1.747 58.058 56.287 0.040 0.000 0.939 620 K CB -0.379 32.106 32.500 -0.026 0.000 0.721 620 K HN 0.262 nan 8.250 nan 0.000 0.441 621 S N 0.608 116.333 115.700 0.042 0.000 2.383 621 S HA -0.130 4.341 4.470 0.001 0.000 0.229 621 S C 2.021 176.679 174.600 0.097 0.000 1.030 621 S CA 1.703 59.933 58.200 0.050 0.000 1.002 621 S CB -0.353 62.858 63.200 0.019 0.000 0.829 621 S HN 0.357 nan 8.310 nan 0.000 0.467 622 T N 0.584 115.203 114.554 0.109 0.000 2.821 622 T HA -0.097 4.254 4.350 0.001 0.000 0.267 622 T C 1.533 176.400 174.700 0.279 0.000 1.046 622 T CA 1.217 63.422 62.100 0.176 0.000 1.139 622 T CB -0.384 68.553 68.868 0.115 0.000 0.871 622 T HN 0.514 nan 8.240 nan 0.000 0.454 623 Y N 1.513 121.877 120.300 0.106 0.000 2.242 623 Y HA -0.021 4.530 4.550 0.002 0.000 0.291 623 Y C 2.205 178.155 175.900 0.082 0.000 1.137 623 Y CA 1.085 59.246 58.100 0.102 0.000 1.181 623 Y CB -0.403 38.092 38.460 0.058 0.000 0.989 623 Y HN 0.145 nan 8.280 nan 0.000 0.527 624 M N -0.582 119.058 119.600 0.065 0.000 2.099 624 M HA -0.182 4.298 4.480 0.001 0.000 0.262 624 M C 2.239 178.519 176.300 -0.034 0.000 1.067 624 M CA 1.656 56.934 55.300 -0.036 0.000 1.124 624 M CB -0.361 32.256 32.600 0.028 0.000 1.353 624 M HN 0.134 nan 8.290 nan 0.000 0.410 625 R N 0.744 121.272 120.500 0.047 0.000 2.096 625 R HA -0.188 4.153 4.340 0.001 0.000 0.235 625 R C 2.262 178.529 176.300 -0.055 0.000 1.127 625 R CA 1.749 57.878 56.100 0.049 0.000 0.968 625 R CB -0.539 29.863 30.300 0.170 0.000 0.861 625 R HN 0.616 nan 8.270 nan 0.000 0.440 626 Q N -0.053 119.725 119.800 -0.036 0.000 2.230 626 Q HA -0.052 4.288 4.340 0.001 0.000 0.202 626 Q C 1.286 177.178 176.000 -0.181 0.000 0.963 626 Q CA 1.522 57.215 55.803 -0.184 0.000 0.866 626 Q CB -0.155 28.561 28.738 -0.037 0.000 0.931 626 Q HN 0.067 nan 8.270 nan 0.000 0.452 627 T N 1.395 115.839 114.554 -0.183 0.000 2.708 627 T HA -0.086 4.265 4.350 0.001 0.000 0.266 627 T C 2.014 176.645 174.700 -0.114 0.000 1.037 627 T CA 1.531 63.524 62.100 -0.179 0.000 1.146 627 T CB -0.368 68.365 68.868 -0.225 0.000 0.865 627 T HN 0.534 nan 8.240 nan 0.000 0.435 628 A N 1.119 123.883 122.820 -0.094 0.000 1.902 628 A HA 0.025 4.346 4.320 0.001 0.000 0.217 628 A C 2.305 179.845 177.584 -0.072 0.000 1.181 628 A CA 1.207 53.207 52.037 -0.061 0.000 0.623 628 A CB -0.848 18.126 19.000 -0.044 0.000 0.818 628 A HN 0.468 nan 8.150 nan 0.000 0.443 629 L N -0.706 120.440 121.223 -0.127 0.000 2.093 629 L HA -0.147 4.194 4.340 0.001 0.000 0.208 629 L C 2.450 179.240 176.870 -0.134 0.000 1.085 629 L CA 1.069 55.818 54.840 -0.151 0.000 0.755 629 L CB -0.454 41.444 42.059 -0.269 0.000 0.904 629 L HN 0.367 nan 8.230 nan 0.000 0.435 630 I N -0.215 120.266 120.570 -0.149 0.000 2.226 630 I HA -0.285 3.886 4.170 0.001 0.000 0.245 630 I C 2.793 178.871 176.117 -0.066 0.000 1.100 630 I CA 1.158 62.374 61.300 -0.139 0.000 1.374 630 I CB -0.407 37.503 38.000 -0.149 0.000 1.057 630 I HN 0.201 nan 8.210 nan 0.000 0.413 631 A N 0.729 123.541 122.820 -0.015 0.000 1.877 631 A HA -0.229 4.091 4.320 0.001 0.000 0.216 631 A C 2.371 180.056 177.584 0.168 0.000 1.186 631 A CA 1.626 53.724 52.037 0.102 0.000 0.620 631 A CB -0.919 18.142 19.000 0.103 0.000 0.822 631 A HN 0.473 nan 8.150 nan 0.000 0.443 632 L N -1.116 120.153 121.223 0.076 0.000 2.017 632 L HA -0.195 4.145 4.340 0.001 0.000 0.208 632 L C 2.631 179.556 176.870 0.092 0.000 1.073 632 L CA 1.969 56.857 54.840 0.081 0.000 0.745 632 L CB -0.212 41.853 42.059 0.010 0.000 0.894 632 L HN 0.438 nan 8.230 nan 0.000 0.432 633 M N -0.840 118.778 119.600 0.030 0.000 2.229 633 M HA -0.142 4.339 4.480 0.001 0.000 0.264 633 M C 2.303 178.629 176.300 0.043 0.000 1.063 633 M CA 1.500 56.817 55.300 0.027 0.000 1.114 633 M CB -0.375 32.196 32.600 -0.048 0.000 1.387 633 M HN 0.452 nan 8.290 nan 0.000 0.420 634 A N -0.770 122.053 122.820 0.004 0.000 1.969 634 A HA -0.139 4.182 4.320 0.001 0.000 0.218 634 A C 1.314 178.874 177.584 -0.040 0.000 1.169 634 A CA 1.247 53.244 52.037 -0.067 0.000 0.635 634 A CB -0.735 18.149 19.000 -0.194 0.000 0.810 634 A HN 0.515 nan 8.150 nan 0.000 0.445 635 Y N -0.086 120.291 120.300 0.129 0.000 2.495 635 Y HA 0.249 4.801 4.550 0.003 0.000 0.293 635 Y C 1.418 177.327 175.900 0.015 0.000 1.186 635 Y CA 0.156 58.301 58.100 0.075 0.000 1.266 635 Y CB -0.162 38.318 38.460 0.033 0.000 1.101 635 Y HN 0.511 nan 8.280 nan 0.000 0.517 636 I N -5.087 115.566 120.570 0.137 0.000 4.082 636 I HA 0.540 4.710 4.170 0.001 0.000 0.337 636 I C 1.462 177.619 176.117 0.067 0.000 1.352 636 I CA 0.427 61.775 61.300 0.080 0.000 1.097 636 I CB 0.482 38.599 38.000 0.195 0.000 1.048 636 I HN 0.025 nan 8.210 nan 0.000 0.393 637 G N 1.635 110.497 108.800 0.103 0.000 2.141 637 G HA2 -0.274 3.687 3.960 0.001 0.000 0.242 637 G HA3 -0.274 3.687 3.960 0.001 0.000 0.242 637 G C 0.235 175.264 174.900 0.215 0.000 0.982 637 G CA 0.300 45.483 45.100 0.139 0.000 0.662 637 G HN 0.647 nan 8.290 nan 0.000 0.527 638 S N -0.845 114.983 115.700 0.214 0.000 2.654 638 S HA 0.747 5.218 4.470 0.001 0.000 0.283 638 S C 0.496 175.288 174.600 0.321 0.000 1.180 638 S CA -0.684 57.674 58.200 0.264 0.000 1.021 638 S CB 0.752 64.083 63.200 0.219 0.000 1.018 638 S HN 0.301 nan 8.310 nan 0.000 0.532 639 Y N 1.321 121.684 120.300 0.106 0.000 2.330 639 Y HA 0.431 4.982 4.550 0.001 0.000 0.341 639 Y C 0.598 176.496 175.900 -0.004 0.000 1.278 639 Y CA -0.896 57.255 58.100 0.085 0.000 1.453 639 Y CB 0.385 38.950 38.460 0.174 0.000 1.342 639 Y HN 0.358 nan 8.280 nan 0.000 0.590 640 V N 3.357 123.254 119.914 -0.028 0.000 2.823 640 V HA 0.327 4.448 4.120 0.001 0.000 0.312 640 V C -2.302 173.478 176.094 -0.524 0.000 1.072 640 V CA -2.232 59.851 62.300 -0.361 0.000 0.937 640 V CB 2.232 33.908 31.823 -0.244 0.000 1.013 640 V HN 0.587 nan 8.190 nan 0.000 0.430 641 P HA 0.295 nan 4.420 nan 0.000 0.252 641 P C -0.515 176.675 177.300 -0.183 0.000 1.694 641 P CA 0.594 63.409 63.100 -0.475 0.000 1.163 641 P CB 0.278 31.695 31.700 -0.472 0.000 1.934 642 A N 2.020 124.786 122.820 -0.090 0.000 2.564 642 A HA 0.293 4.614 4.320 0.001 0.000 0.291 642 A C 0.879 178.454 177.584 -0.015 0.000 1.102 642 A CA -0.488 51.521 52.037 -0.047 0.000 0.660 642 A CB 0.710 19.663 19.000 -0.078 0.000 1.283 642 A HN 0.233 nan 8.150 nan 0.000 0.430 643 Q N -0.046 119.750 119.800 -0.007 0.000 2.137 643 Q HA 0.124 4.464 4.340 0.001 0.000 0.198 643 Q C 0.392 176.373 176.000 -0.031 0.000 0.960 643 Q CA 1.463 57.264 55.803 -0.003 0.000 0.847 643 Q CB 0.077 28.819 28.738 0.007 0.000 0.915 643 Q HN 0.526 nan 8.270 nan 0.000 0.448 644 K N -0.709 119.662 120.400 -0.048 0.000 2.562 644 K HA 0.442 4.763 4.320 0.001 0.000 0.267 644 K C -2.091 174.453 176.600 -0.093 0.000 0.938 644 K CA -0.599 55.642 56.287 -0.077 0.000 0.840 644 K CB 2.417 34.881 32.500 -0.060 0.000 1.390 644 K HN -0.052 nan 8.250 nan 0.000 0.428 645 V N 2.649 122.483 119.914 -0.134 0.000 2.752 645 V HA 0.311 4.431 4.120 0.001 0.000 0.302 645 V C -1.365 174.618 176.094 -0.184 0.000 1.133 645 V CA -0.779 61.432 62.300 -0.147 0.000 0.919 645 V CB 1.965 33.682 31.823 -0.176 0.000 1.026 645 V HN 0.777 nan 8.190 nan 0.000 0.429 646 E N 4.416 124.532 120.200 -0.139 0.000 2.176 646 E HA 0.684 5.035 4.350 0.001 0.000 0.267 646 E C -1.141 175.400 176.600 -0.097 0.000 0.893 646 E CA -0.537 55.780 56.400 -0.137 0.000 0.761 646 E CB 3.153 32.803 29.700 -0.083 0.000 1.133 646 E HN 0.591 nan 8.360 nan 0.000 0.409 647 I N 1.725 122.239 120.570 -0.093 0.000 2.619 647 I HA 0.499 4.670 4.170 0.001 0.000 0.292 647 I C -0.112 176.100 176.117 0.158 0.000 1.100 647 I CA -0.479 60.835 61.300 0.023 0.000 1.043 647 I CB 1.574 39.586 38.000 0.018 0.000 1.239 647 I HN 0.622 nan 8.210 nan 0.000 0.420 648 G N 5.954 114.845 108.800 0.151 0.000 2.537 648 G HA2 0.567 4.527 3.960 0.001 0.000 0.297 648 G HA3 0.567 4.527 3.960 0.001 0.000 0.297 648 G C -2.790 172.260 174.900 0.250 0.000 1.310 648 G CA -1.277 43.920 45.100 0.162 0.000 1.027 648 G HN 0.409 nan 8.290 nan 0.000 0.505 649 P HA 0.248 nan 4.420 nan 0.000 0.271 649 P C -0.773 176.586 177.300 0.098 0.000 1.216 649 P CA 0.317 63.527 63.100 0.183 0.000 0.771 649 P CB 1.158 33.017 31.700 0.265 0.000 0.864 650 I N 2.879 123.417 120.570 -0.053 0.000 2.466 650 I HA 0.151 4.322 4.170 0.001 0.000 0.289 650 I C 1.171 177.228 176.117 -0.100 0.000 1.026 650 I CA -0.507 60.759 61.300 -0.056 0.000 1.078 650 I CB 2.232 40.158 38.000 -0.123 0.000 1.249 650 I HN 0.323 nan 8.210 nan 0.000 0.429 651 D N 5.421 125.829 120.400 0.015 0.000 2.277 651 D HA 0.054 4.695 4.640 0.001 0.000 0.209 651 D C 0.496 176.748 176.300 -0.081 0.000 0.970 651 D CA 0.678 54.656 54.000 -0.036 0.000 0.874 651 D CB 0.475 41.278 40.800 0.005 0.000 0.982 651 D HN 0.391 nan 8.370 nan 0.000 0.504 652 R N -0.648 119.810 120.500 -0.070 0.000 2.680 652 R HA 0.605 4.946 4.340 0.001 0.000 0.269 652 R C -1.114 175.055 176.300 -0.218 0.000 1.026 652 R CA -0.703 55.267 56.100 -0.215 0.000 0.889 652 R CB 2.153 32.254 30.300 -0.333 0.000 1.241 652 R HN -0.054 nan 8.270 nan 0.000 0.463 653 I N 2.313 122.678 120.570 -0.342 0.000 2.436 653 I HA 0.423 4.593 4.170 0.001 0.000 0.289 653 I C -1.006 174.903 176.117 -0.347 0.000 1.010 653 I CA -0.578 60.602 61.300 -0.202 0.000 1.098 653 I CB 1.216 39.154 38.000 -0.103 0.000 1.266 653 I HN 0.331 nan 8.210 nan 0.000 0.434 654 F N 3.068 123.022 119.950 0.007 0.000 2.522 654 F HA 0.649 5.175 4.527 -0.001 0.000 0.324 654 F C 0.343 176.143 175.800 0.001 0.000 1.077 654 F CA -0.574 57.430 58.000 0.007 0.000 0.944 654 F CB 2.289 41.295 39.000 0.011 0.000 1.175 654 F HN 0.213 nan 8.300 nan 0.000 0.468 655 T N 2.668 117.335 114.554 0.187 0.000 2.933 655 T HA 0.496 4.847 4.350 0.001 0.000 0.305 655 T C -1.252 173.493 174.700 0.076 0.000 1.092 655 T CA -0.851 61.307 62.100 0.097 0.000 1.008 655 T CB 1.942 70.842 68.868 0.054 0.000 1.102 655 T HN 0.349 nan 8.240 nan 0.000 0.469 656 R N 2.539 123.058 120.500 0.033 0.000 2.518 656 R HA 0.503 4.844 4.340 0.001 0.000 0.296 656 R C -1.811 174.481 176.300 -0.013 0.000 1.080 656 R CA -0.471 55.636 56.100 0.013 0.000 0.922 656 R CB 1.540 31.839 30.300 -0.002 0.000 1.184 656 R HN 0.495 nan 8.270 nan 0.000 0.445 657 V N 3.104 123.019 119.914 0.001 0.000 2.293 657 V HA 0.335 4.455 4.120 0.001 0.000 0.275 657 V C 0.968 177.064 176.094 0.003 0.000 1.021 657 V CA -0.956 61.340 62.300 -0.006 0.000 0.815 657 V CB 1.465 33.290 31.823 0.004 0.000 1.025 657 V HN 0.810 nan 8.190 nan 0.000 0.448 658 G N 4.531 113.327 108.800 -0.007 0.000 2.239 658 G HA2 0.484 4.445 3.960 0.001 0.000 0.278 658 G HA3 0.484 4.445 3.960 0.001 0.000 0.278 658 G C 0.413 175.327 174.900 0.024 0.000 1.071 658 G CA 1.054 46.164 45.100 0.016 0.000 1.198 658 G HN 1.768 nan 8.290 nan 0.000 0.410 669 T N -0.746 113.853 114.554 0.076 0.000 2.652 669 T HA 0.446 4.797 4.350 0.001 0.000 0.319 669 T C 1.144 175.957 174.700 0.187 0.000 1.029 669 T CA 1.057 63.220 62.100 0.105 0.000 0.990 669 T CB -0.279 68.650 68.868 0.102 0.000 1.098 669 T HN 1.714 nan 8.240 nan 0.000 0.520 670 F N -0.591 119.374 119.950 0.024 0.000 2.641 670 F HA -0.328 4.201 4.527 0.002 0.000 0.588 670 F C 1.475 177.290 175.800 0.026 0.000 0.500 670 F CA 2.244 60.262 58.000 0.029 0.000 0.716 670 F CB -1.697 37.323 39.000 0.033 0.000 1.601 670 F HN 0.647 nan 8.300 nan 0.000 0.254 671 M N 0.051 119.609 119.600 -0.070 0.000 2.175 671 M HA 0.019 4.499 4.480 0.001 0.000 0.264 671 M C 1.829 178.058 176.300 -0.118 0.000 1.063 671 M CA 2.267 57.482 55.300 -0.142 0.000 1.119 671 M CB -0.752 31.819 32.600 -0.048 0.000 1.377 671 M HN 0.084 nan 8.290 nan 0.000 0.415 672 V N -0.082 119.804 119.914 -0.046 0.000 2.407 672 V HA -0.192 3.929 4.120 0.001 0.000 0.245 672 V C 2.285 178.362 176.094 -0.028 0.000 1.041 672 V CA 1.974 64.259 62.300 -0.025 0.000 1.040 672 V CB -0.706 31.120 31.823 0.006 0.000 0.671 672 V HN 0.612 nan 8.190 nan 0.000 0.455 673 E N -0.257 119.942 120.200 -0.002 0.000 2.085 673 E HA -0.264 4.087 4.350 0.001 0.000 0.194 673 E C 2.259 178.832 176.600 -0.044 0.000 0.994 673 E CA 1.659 58.076 56.400 0.028 0.000 0.801 673 E CB -0.080 29.712 29.700 0.154 0.000 0.743 673 E HN 0.352 nan 8.360 nan 0.000 0.453 674 M N 0.172 119.653 119.600 -0.198 0.000 2.200 674 M HA -0.074 4.407 4.480 0.001 0.000 0.265 674 M C 2.320 178.536 176.300 -0.140 0.000 1.066 674 M CA 1.313 56.467 55.300 -0.243 0.000 1.127 674 M CB -0.808 31.482 32.600 -0.517 0.000 1.379 674 M HN 0.148 nan 8.290 nan 0.000 0.420 675 T N 0.613 115.098 114.554 -0.114 0.000 2.708 675 T HA -0.157 4.194 4.350 0.001 0.000 0.266 675 T C 1.766 176.448 174.700 -0.030 0.000 1.037 675 T CA 1.465 63.530 62.100 -0.058 0.000 1.146 675 T CB -0.142 68.702 68.868 -0.040 0.000 0.865 675 T HN 0.445 nan 8.240 nan 0.000 0.435 676 E N 0.485 120.673 120.200 -0.021 0.000 2.077 676 E HA -0.128 4.222 4.350 0.001 0.000 0.193 676 E C 2.649 179.242 176.600 -0.013 0.000 0.989 676 E CA 1.617 58.019 56.400 0.004 0.000 0.800 676 E CB -0.201 29.511 29.700 0.019 0.000 0.746 676 E HN 0.646 nan 8.360 nan 0.000 0.452 677 T N -0.754 113.781 114.554 -0.031 0.000 2.833 677 T HA -0.063 4.288 4.350 0.001 0.000 0.269 677 T C 2.067 176.701 174.700 -0.110 0.000 1.054 677 T CA 1.046 63.116 62.100 -0.051 0.000 1.135 677 T CB -0.195 68.663 68.868 -0.016 0.000 0.869 677 T HN 0.140 nan 8.240 nan 0.000 0.466 678 A N 2.169 124.919 122.820 -0.117 0.000 1.933 678 A HA -0.108 4.213 4.320 0.001 0.000 0.218 678 A C 2.292 179.758 177.584 -0.197 0.000 1.175 678 A CA 1.972 53.885 52.037 -0.207 0.000 0.628 678 A CB -1.242 17.693 19.000 -0.109 0.000 0.814 678 A HN 0.645 nan 8.150 nan 0.000 0.444 679 N N 0.013 118.685 118.700 -0.047 0.000 2.142 679 N HA -0.097 4.643 4.740 0.001 0.000 0.186 679 N C 1.499 176.967 175.510 -0.070 0.000 1.023 679 N CA 1.751 54.820 53.050 0.032 0.000 0.852 679 N CB -0.363 38.174 38.487 0.082 0.000 0.998 679 N HN 0.515 nan 8.380 nan 0.000 0.424 680 I N 0.224 120.682 120.570 -0.187 0.000 2.163 680 I HA -0.272 3.899 4.170 0.001 0.000 0.243 680 I C 1.886 177.739 176.117 -0.440 0.000 1.085 680 I CA 0.992 61.987 61.300 -0.508 0.000 1.347 680 I CB -0.330 37.436 38.000 -0.391 0.000 1.044 680 I HN 0.212 nan 8.210 nan 0.000 0.408 681 L N -0.482 120.559 121.223 -0.304 0.000 2.201 681 L HA -0.195 4.146 4.340 0.001 0.000 0.212 681 L C 2.308 179.059 176.870 -0.198 0.000 1.105 681 L CA 1.348 56.030 54.840 -0.263 0.000 0.775 681 L CB -0.798 41.094 42.059 -0.278 0.000 0.913 681 L HN 0.345 nan 8.230 nan 0.000 0.440 682 H N -0.906 118.110 119.070 -0.090 0.000 2.512 682 H HA 0.055 4.613 4.556 0.003 0.000 0.279 682 H C 1.457 176.764 175.328 -0.036 0.000 0.999 682 H CA 0.618 56.638 56.048 -0.048 0.000 1.283 682 H CB 0.438 30.185 29.762 -0.025 0.000 1.421 682 H HN 0.309 nan 8.280 nan 0.000 0.554 683 N N 0.041 118.766 118.700 0.042 0.000 2.210 683 N HA 0.146 4.887 4.740 0.001 0.000 0.203 683 N C 0.201 175.771 175.510 0.099 0.000 1.175 683 N CA 0.154 53.263 53.050 0.099 0.000 0.894 683 N CB 0.998 39.617 38.487 0.219 0.000 1.041 683 N HN 0.083 nan 8.380 nan 0.000 0.506 684 A N 1.385 124.111 122.820 -0.158 0.000 2.386 684 A HA 0.455 4.775 4.320 0.001 0.000 0.248 684 A C 0.891 178.511 177.584 0.061 0.000 1.082 684 A CA 0.200 52.194 52.037 -0.071 0.000 0.789 684 A CB 0.229 19.026 19.000 -0.340 0.000 1.025 684 A HN 0.256 nan 8.150 nan 0.000 0.490 685 T N -1.636 113.003 114.554 0.141 0.000 2.742 685 T HA 0.453 4.804 4.350 0.001 0.000 0.282 685 T C 0.523 175.319 174.700 0.161 0.000 1.025 685 T CA -0.157 62.023 62.100 0.132 0.000 1.020 685 T CB 0.792 69.742 68.868 0.138 0.000 1.317 685 T HN 0.569 nan 8.240 nan 0.000 0.538 686 E N -0.502 119.817 120.200 0.199 0.000 2.333 686 E HA -0.075 4.276 4.350 0.001 0.000 0.198 686 E C 0.439 177.138 176.600 0.167 0.000 1.007 686 E CA 1.077 57.583 56.400 0.175 0.000 0.845 686 E CB -0.274 29.541 29.700 0.192 0.000 0.766 686 E HN 0.577 nan 8.360 nan 0.000 0.507 687 Y N 0.208 120.531 120.300 0.039 0.000 2.457 687 Y HA 0.195 4.749 4.550 0.007 0.000 0.263 687 Y C 0.552 176.478 175.900 0.044 0.000 1.164 687 Y CA -0.303 57.816 58.100 0.031 0.000 1.274 687 Y CB 0.547 39.014 38.460 0.011 0.000 1.097 687 Y HN -0.213 nan 8.280 nan 0.000 0.523 688 S N 1.070 116.895 115.700 0.208 0.000 2.586 688 S HA 0.367 4.838 4.470 0.001 0.000 0.274 688 S C -0.749 173.949 174.600 0.162 0.000 1.281 688 S CA -0.551 57.779 58.200 0.217 0.000 1.035 688 S CB 1.352 64.778 63.200 0.377 0.000 0.962 688 S HN 0.154 nan 8.310 nan 0.000 0.512 689 L N 4.215 125.528 121.223 0.150 0.000 2.265 689 L HA 0.568 4.909 4.340 0.001 0.000 0.289 689 L C -1.094 175.888 176.870 0.187 0.000 1.033 689 L CA -0.228 54.681 54.840 0.116 0.000 0.814 689 L CB 0.799 42.893 42.059 0.059 0.000 1.203 689 L HN 0.419 nan 8.230 nan 0.000 0.423 690 V N 6.693 126.705 119.914 0.163 0.000 2.417 690 V HA 0.445 4.565 4.120 0.001 0.000 0.291 690 V C -0.124 176.036 176.094 0.111 0.000 1.024 690 V CA -0.566 61.838 62.300 0.174 0.000 0.861 690 V CB 1.600 33.490 31.823 0.111 0.000 0.985 690 V HN 0.567 nan 8.190 nan 0.000 0.436 691 L N 5.763 127.043 121.223 0.096 0.000 2.324 691 L HA 0.556 4.897 4.340 0.001 0.000 0.274 691 L C -0.553 176.312 176.870 -0.007 0.000 1.012 691 L CA -0.342 54.523 54.840 0.042 0.000 0.859 691 L CB 1.347 43.425 42.059 0.032 0.000 1.224 691 L HN 0.452 nan 8.230 nan 0.000 0.429 692 M N 2.915 122.465 119.600 -0.085 0.000 2.061 692 M HA 0.277 4.758 4.480 0.001 0.000 0.346 692 M C -0.682 175.431 176.300 -0.312 0.000 1.112 692 M CA -0.208 54.935 55.300 -0.261 0.000 1.021 692 M CB 1.373 33.628 32.600 -0.576 0.000 1.530 692 M HN 0.317 nan 8.290 nan 0.000 0.437 693 D N 4.433 124.714 120.400 -0.199 0.000 2.472 693 D HA 0.226 4.867 4.640 0.001 0.000 0.234 693 D C -0.248 175.965 176.300 -0.144 0.000 1.088 693 D CA 0.301 54.212 54.000 -0.149 0.000 0.882 693 D CB 0.492 41.251 40.800 -0.069 0.000 1.037 693 D HN 0.690 nan 8.370 nan 0.000 0.520 694 E N 1.506 121.595 120.200 -0.185 0.000 2.271 694 E HA -0.221 4.130 4.350 0.001 0.000 0.223 694 E C 0.553 177.112 176.600 -0.069 0.000 1.223 694 E CA 0.228 56.554 56.400 -0.123 0.000 0.704 694 E CB -1.471 28.182 29.700 -0.077 0.000 1.194 694 E HN 0.637 nan 8.360 nan 0.000 0.375 695 I N -2.676 117.838 120.570 -0.092 0.000 3.244 695 I HA 0.643 4.813 4.170 0.001 0.000 0.314 695 I C 0.952 177.186 176.117 0.195 0.000 1.043 695 I CA 0.313 61.627 61.300 0.024 0.000 1.099 695 I CB 1.173 39.154 38.000 -0.032 0.000 1.449 695 I HN 0.161 nan 8.210 nan 0.000 0.625 696 G N 2.117 111.064 108.800 0.245 0.000 2.940 696 G HA2 -0.175 3.785 3.960 0.001 0.000 0.273 696 G HA3 -0.175 3.785 3.960 0.001 0.000 0.273 696 G C -0.489 174.571 174.900 0.267 0.000 1.030 696 G CA -0.018 45.269 45.100 0.312 0.000 1.066 696 G HN 1.126 nan 8.290 nan 0.000 0.466 697 R N 1.757 122.308 120.500 0.085 0.000 2.569 697 R HA 0.640 4.981 4.340 0.001 0.000 0.293 697 R C 0.667 176.580 176.300 -0.644 0.000 1.186 697 R CA 0.028 56.065 56.100 -0.104 0.000 0.956 697 R CB 0.705 30.996 30.300 -0.015 0.000 1.196 697 R HN 1.037 nan 8.270 nan 0.000 0.444 698 G N -0.127 108.387 108.800 -0.476 0.000 2.971 698 G HA2 0.222 4.183 3.960 0.001 0.000 0.235 698 G HA3 0.222 4.183 3.960 0.001 0.000 0.235 698 G C 0.499 175.206 174.900 -0.321 0.000 1.351 698 G CA 0.051 44.790 45.100 -0.601 0.000 1.039 698 G HN 0.508 nan 8.290 nan 0.000 0.563 699 T N -3.236 111.201 114.554 -0.196 0.000 3.086 699 T HA 0.371 4.722 4.350 0.001 0.000 0.250 699 T C 0.890 175.549 174.700 -0.068 0.000 1.074 699 T CA 0.768 62.807 62.100 -0.101 0.000 0.988 699 T CB 0.115 68.954 68.868 -0.047 0.000 0.988 699 T HN 0.386 nan 8.240 nan 0.000 0.530 700 S N -0.750 114.907 115.700 -0.072 0.000 2.851 700 S HA 0.489 4.960 4.470 0.001 0.000 0.317 700 S C 1.184 175.725 174.600 -0.098 0.000 1.144 700 S CA -0.266 57.897 58.200 -0.062 0.000 0.862 700 S CB 1.230 64.412 63.200 -0.030 0.000 1.259 700 S HN 0.231 nan 8.310 nan 0.000 0.564 701 T N 1.014 115.475 114.554 -0.154 0.000 2.684 701 T HA -0.076 4.275 4.350 0.001 0.000 0.267 701 T C 0.639 175.092 174.700 -0.412 0.000 1.036 701 T CA 1.887 63.778 62.100 -0.349 0.000 1.148 701 T CB -0.364 68.161 68.868 -0.571 0.000 0.863 701 T HN 0.596 nan 8.240 nan 0.000 0.436 702 Y N 0.706 120.984 120.300 -0.037 0.000 2.453 702 Y HA 0.172 4.723 4.550 0.001 0.000 0.247 702 Y C 1.975 177.825 175.900 -0.083 0.000 1.124 702 Y CA -0.873 57.181 58.100 -0.076 0.000 1.243 702 Y CB 0.057 38.471 38.460 -0.076 0.000 1.213 702 Y HN 0.251 nan 8.280 nan 0.000 0.523 703 D N -0.658 119.780 120.400 0.064 0.000 2.117 703 D HA -0.150 4.491 4.640 0.001 0.000 0.197 703 D C 2.292 178.607 176.300 0.024 0.000 0.987 703 D CA 1.515 55.537 54.000 0.037 0.000 0.829 703 D CB -0.922 39.891 40.800 0.023 0.000 0.961 703 D HN 0.309 nan 8.370 nan 0.000 0.460 704 G N 1.160 109.946 108.800 -0.023 0.000 2.433 704 G HA2 -0.222 3.739 3.960 0.001 0.000 0.216 704 G HA3 -0.222 3.739 3.960 0.001 0.000 0.216 704 G C 1.672 176.583 174.900 0.018 0.000 1.186 704 G CA 1.197 46.300 45.100 0.006 0.000 0.779 704 G HN 0.358 nan 8.290 nan 0.000 0.543 705 L N 1.087 122.192 121.223 -0.197 0.000 2.042 705 L HA -0.022 4.319 4.340 0.001 0.000 0.210 705 L C 2.778 179.626 176.870 -0.037 0.000 1.076 705 L CA 2.614 57.193 54.840 -0.435 0.000 0.749 705 L CB -0.746 40.929 42.059 -0.639 0.000 0.893 705 L HN 0.152 nan 8.230 nan 0.000 0.432 706 S N -0.259 115.444 115.700 0.005 0.000 2.370 706 S HA -0.169 4.302 4.470 0.001 0.000 0.226 706 S C 1.919 176.593 174.600 0.124 0.000 1.033 706 S CA 1.898 60.120 58.200 0.036 0.000 1.011 706 S CB -0.522 62.677 63.200 -0.001 0.000 0.852 706 S HN 0.500 nan 8.310 nan 0.000 0.457 707 L N 0.783 122.088 121.223 0.136 0.000 2.109 707 L HA -0.049 4.292 4.340 0.001 0.000 0.207 707 L C 2.713 179.713 176.870 0.215 0.000 1.086 707 L CA 1.049 55.994 54.840 0.175 0.000 0.760 707 L CB -0.573 41.613 42.059 0.213 0.000 0.910 707 L HN 0.311 nan 8.230 nan 0.000 0.437 708 A N -0.500 122.471 122.820 0.251 0.000 1.933 708 A HA -0.260 4.060 4.320 0.001 0.000 0.218 708 A C 2.143 179.890 177.584 0.272 0.000 1.175 708 A CA 1.287 53.534 52.037 0.350 0.000 0.628 708 A CB -0.959 18.316 19.000 0.457 0.000 0.814 708 A HN 0.655 nan 8.150 nan 0.000 0.444 709 W N 0.864 122.189 121.300 0.041 0.000 2.354 709 W HA -0.191 4.469 4.660 0.001 0.000 0.315 709 W C 2.361 178.853 176.519 -0.044 0.000 1.206 709 W CA 2.265 59.585 57.345 -0.042 0.000 1.290 709 W CB -0.649 28.779 29.460 -0.053 0.000 1.152 709 W HN 0.410 nan 8.180 nan 0.000 0.489 710 A N -0.019 123.006 122.820 0.343 0.000 1.933 710 A HA -0.218 4.103 4.320 0.001 0.000 0.218 710 A C 2.194 179.839 177.584 0.102 0.000 1.175 710 A CA 1.925 54.096 52.037 0.223 0.000 0.628 710 A CB -1.430 17.663 19.000 0.155 0.000 0.814 710 A HN 0.349 nan 8.150 nan 0.000 0.444 711 C N -1.047 118.315 119.300 0.104 0.000 2.429 711 C HA 0.054 4.515 4.460 0.001 0.000 0.277 711 C C 3.323 178.317 174.990 0.006 0.000 1.262 711 C CA 0.777 59.840 59.018 0.075 0.000 1.733 711 C CB -1.337 26.490 27.740 0.146 0.000 2.010 711 C HN 0.707 nan 8.230 nan 0.000 0.483 712 A N 0.330 123.083 122.820 -0.111 0.000 1.902 712 A HA -0.245 4.076 4.320 0.001 0.000 0.217 712 A C 2.150 179.570 177.584 -0.274 0.000 1.181 712 A CA 1.976 53.792 52.037 -0.367 0.000 0.623 712 A CB -0.744 17.752 19.000 -0.840 0.000 0.818 712 A HN 0.730 nan 8.150 nan 0.000 0.443 713 E N -0.013 120.046 120.200 -0.235 0.000 2.058 713 E HA -0.264 4.087 4.350 0.001 0.000 0.194 713 E C 2.067 178.624 176.600 -0.073 0.000 0.997 713 E CA 1.363 57.677 56.400 -0.144 0.000 0.801 713 E CB -0.301 29.378 29.700 -0.035 0.000 0.746 713 E HN 0.673 nan 8.360 nan 0.000 0.450 714 N N 0.543 119.218 118.700 -0.042 0.000 2.084 714 N HA -0.177 4.564 4.740 0.001 0.000 0.190 714 N C 2.213 177.699 175.510 -0.040 0.000 1.030 714 N CA 1.161 54.194 53.050 -0.028 0.000 0.849 714 N CB -0.174 38.301 38.487 -0.020 0.000 1.012 714 N HN 0.234 nan 8.380 nan 0.000 0.423 715 L N 0.678 121.871 121.223 -0.050 0.000 2.079 715 L HA -0.147 4.194 4.340 0.001 0.000 0.210 715 L C 2.574 179.415 176.870 -0.048 0.000 1.081 715 L CA 1.386 56.200 54.840 -0.043 0.000 0.752 715 L CB -0.343 41.702 42.059 -0.023 0.000 0.896 715 L HN 0.203 nan 8.230 nan 0.000 0.433 716 A N -0.351 122.422 122.820 -0.078 0.000 1.898 716 A HA -0.172 4.149 4.320 0.001 0.000 0.214 716 A C 2.049 179.604 177.584 -0.049 0.000 1.183 716 A CA 1.801 53.794 52.037 -0.075 0.000 0.622 716 A CB -0.458 18.471 19.000 -0.119 0.000 0.824 716 A HN 0.437 nan 8.150 nan 0.000 0.444 717 N N -1.039 117.634 118.700 -0.044 0.000 2.402 717 N HA 0.006 4.747 4.740 0.001 0.000 0.174 717 N C 1.585 177.088 175.510 -0.011 0.000 1.027 717 N CA 1.277 54.312 53.050 -0.025 0.000 0.891 717 N CB 0.041 38.516 38.487 -0.020 0.000 1.016 717 N HN 0.419 nan 8.380 nan 0.000 0.439 718 K N -0.296 120.098 120.400 -0.010 0.000 2.216 718 K HA 0.238 4.559 4.320 0.001 0.000 0.207 718 K C 1.870 178.473 176.600 0.004 0.000 1.041 718 K CA 0.355 56.642 56.287 -0.000 0.000 0.966 718 K CB 0.138 32.639 32.500 0.002 0.000 0.955 718 K HN 0.096 nan 8.250 nan 0.000 0.468 719 I N 1.644 122.213 120.570 -0.003 0.000 2.202 719 I HA -0.198 3.973 4.170 0.001 0.000 0.242 719 I C 0.442 176.570 176.117 0.017 0.000 1.091 719 I CA 1.055 62.358 61.300 0.005 0.000 1.368 719 I CB -0.194 37.796 38.000 -0.016 0.000 1.058 719 I HN 0.221 nan 8.210 nan 0.000 0.410 720 K N 0.053 120.455 120.400 0.004 0.000 3.281 720 K HA -0.171 4.150 4.320 0.001 0.000 0.295 720 K C 0.282 176.890 176.600 0.014 0.000 1.233 720 K CA 0.233 56.523 56.287 0.005 0.000 0.866 720 K CB -1.841 30.665 32.500 0.011 0.000 1.265 720 K HN 0.449 nan 8.250 nan 0.000 0.482 721 A N 0.821 123.653 122.820 0.021 0.000 2.366 721 A HA 0.390 4.711 4.320 0.001 0.000 0.250 721 A C 0.581 178.181 177.584 0.026 0.000 1.099 721 A CA -0.261 51.799 52.037 0.039 0.000 0.794 721 A CB 0.291 19.323 19.000 0.052 0.000 1.056 721 A HN 0.292 nan 8.150 nan 0.000 0.499 722 L N 1.265 122.508 121.223 0.033 0.000 2.313 722 L HA 0.331 4.671 4.340 0.001 0.000 0.282 722 L C -0.042 176.857 176.870 0.049 0.000 1.092 722 L CA 0.142 54.998 54.840 0.026 0.000 0.831 722 L CB 0.414 42.483 42.059 0.017 0.000 1.159 722 L HN 0.658 nan 8.230 nan 0.000 0.442 723 T N 4.673 119.256 114.554 0.049 0.000 2.886 723 T HA 0.578 4.928 4.350 0.001 0.000 0.292 723 T C -0.346 174.412 174.700 0.096 0.000 1.012 723 T CA -0.501 61.649 62.100 0.083 0.000 0.982 723 T CB 1.798 70.722 68.868 0.094 0.000 1.018 723 T HN 0.299 nan 8.240 nan 0.000 0.451 724 L N 3.167 124.456 121.223 0.109 0.000 2.325 724 L HA 0.594 4.935 4.340 0.001 0.000 0.281 724 L C -1.159 175.811 176.870 0.166 0.000 1.004 724 L CA -0.794 54.118 54.840 0.121 0.000 0.823 724 L CB 1.369 43.468 42.059 0.066 0.000 1.236 724 L HN 0.619 nan 8.230 nan 0.000 0.415 725 F N 3.331 123.292 119.950 0.018 0.000 2.564 725 F HA 0.572 5.099 4.527 0.001 0.000 0.368 725 F C 0.446 176.251 175.800 0.008 0.000 1.127 725 F CA -0.603 57.402 58.000 0.009 0.000 1.170 725 F CB 0.969 39.962 39.000 -0.013 0.000 1.397 725 F HN 0.478 nan 8.300 nan 0.000 0.493 726 A N 3.250 126.066 122.820 -0.006 0.000 2.401 726 A HA 0.615 4.936 4.320 0.001 0.000 0.259 726 A C 0.120 177.665 177.584 -0.065 0.000 1.103 726 A CA 0.186 52.212 52.037 -0.018 0.000 0.789 726 A CB 0.596 19.565 19.000 -0.052 0.000 1.035 726 A HN 0.623 nan 8.150 nan 0.000 0.491 727 T N 0.015 114.550 114.554 -0.032 0.000 2.853 727 T HA 0.438 4.789 4.350 0.001 0.000 0.311 727 T C -0.246 174.399 174.700 -0.093 0.000 1.307 727 T CA -0.514 61.577 62.100 -0.015 0.000 1.019 727 T CB 0.979 69.992 68.868 0.241 0.000 1.264 727 T HN 0.633 nan 8.240 nan 0.000 0.497 728 H N 1.617 120.660 119.070 -0.045 0.000 2.652 728 H HA 0.256 4.813 4.556 0.001 0.000 0.274 728 H C -0.562 174.818 175.328 0.086 0.000 1.021 728 H CA 0.062 56.112 56.048 0.005 0.000 1.187 728 H CB 0.174 29.895 29.762 -0.069 0.000 1.505 728 H HN 0.427 nan 8.280 nan 0.000 0.530 729 Y N 0.326 120.797 120.300 0.286 0.000 2.539 729 Y HA -0.020 4.531 4.550 0.001 0.000 0.352 729 Y C 1.010 177.075 175.900 0.275 0.000 1.004 729 Y CA -0.461 57.809 58.100 0.282 0.000 1.278 729 Y CB -0.285 38.331 38.460 0.261 0.000 1.136 729 Y HN 0.003 nan 8.280 nan 0.000 0.528 730 F N 1.285 121.424 119.950 0.316 0.000 2.293 730 F HA -0.150 4.378 4.527 0.002 0.000 0.300 730 F C 1.719 177.645 175.800 0.210 0.000 1.086 730 F CA 1.244 59.374 58.000 0.216 0.000 1.375 730 F CB 0.113 39.209 39.000 0.159 0.000 1.045 730 F HN 0.507 nan 8.300 nan 0.000 0.516 731 E N 0.208 120.651 120.200 0.405 0.000 2.171 731 E HA -0.235 4.116 4.350 0.001 0.000 0.197 731 E C 2.105 178.908 176.600 0.337 0.000 0.997 731 E CA 1.331 57.934 56.400 0.339 0.000 0.810 731 E CB -0.491 29.389 29.700 0.300 0.000 0.738 731 E HN 0.411 nan 8.360 nan 0.000 0.467 732 L N 0.719 122.084 121.223 0.236 0.000 2.465 732 L HA -0.066 4.275 4.340 0.001 0.000 0.224 732 L C 2.114 178.911 176.870 -0.123 0.000 1.145 732 L CA 1.285 56.132 54.840 0.012 0.000 0.834 732 L CB -0.860 41.210 42.059 0.018 0.000 0.944 732 L HN 0.294 nan 8.230 nan 0.000 0.451 733 T N -4.386 110.104 114.554 -0.107 0.000 3.163 733 T HA -0.163 4.187 4.350 0.001 0.000 0.260 733 T C 1.623 176.270 174.700 -0.088 0.000 1.156 733 T CA 0.604 62.597 62.100 -0.178 0.000 1.072 733 T CB 0.008 68.649 68.868 -0.377 0.000 0.937 733 T HN 0.154 nan 8.240 nan 0.000 0.528 734 Q N -0.100 119.695 119.800 -0.008 0.000 2.424 734 Q HA 0.399 4.740 4.340 0.001 0.000 0.204 734 Q C 1.911 177.898 176.000 -0.022 0.000 0.933 734 Q CA 0.234 56.074 55.803 0.061 0.000 0.929 734 Q CB -0.440 28.439 28.738 0.235 0.000 1.037 734 Q HN 0.538 nan 8.270 nan 0.000 0.511 735 L N 0.497 121.578 121.223 -0.238 0.000 2.012 735 L HA -0.178 4.163 4.340 0.001 0.000 0.210 735 L C -0.783 175.971 176.870 -0.193 0.000 1.073 735 L CA 1.468 56.081 54.840 -0.378 0.000 0.748 735 L CB -1.228 40.471 42.059 -0.600 0.000 0.891 735 L HN 0.204 nan 8.230 nan 0.000 0.431 736 P HA -0.216 nan 4.420 nan 0.000 0.217 736 P C 1.203 178.472 177.300 -0.051 0.000 1.151 736 P CA 1.438 64.483 63.100 -0.092 0.000 0.849 736 P CB 0.012 31.669 31.700 -0.072 0.000 0.787 737 E N -0.634 119.549 120.200 -0.028 0.000 2.077 737 E HA -0.200 4.150 4.350 0.001 0.000 0.193 737 E C 1.837 178.442 176.600 0.008 0.000 0.989 737 E CA 1.236 57.637 56.400 0.000 0.000 0.800 737 E CB -0.171 29.543 29.700 0.024 0.000 0.746 737 E HN 0.174 nan 8.360 nan 0.000 0.452 738 K N -0.696 119.712 120.400 0.014 0.000 2.137 738 K HA 0.083 4.404 4.320 0.001 0.000 0.202 738 K C 0.509 177.111 176.600 0.003 0.000 1.052 738 K CA 0.713 57.021 56.287 0.036 0.000 0.961 738 K CB 0.410 32.978 32.500 0.113 0.000 0.741 738 K HN -0.013 nan 8.250 nan 0.000 0.452 739 M N 1.128 120.703 119.600 -0.041 0.000 2.311 739 M HA 0.226 4.707 4.480 0.001 0.000 0.325 739 M C -0.303 175.966 176.300 -0.053 0.000 1.061 739 M CA -0.773 54.495 55.300 -0.054 0.000 0.957 739 M CB 1.668 34.206 32.600 -0.104 0.000 1.646 739 M HN 0.025 nan 8.290 nan 0.000 0.434 740 E N 0.884 121.062 120.200 -0.036 0.000 2.415 740 E HA 0.258 4.609 4.350 0.001 0.000 0.262 740 E C 0.964 177.538 176.600 -0.042 0.000 1.038 740 E CA 1.446 57.827 56.400 -0.031 0.000 0.921 740 E CB 0.709 30.397 29.700 -0.020 0.000 0.950 740 E HN 0.923 nan 8.360 nan 0.000 0.438 741 G N 2.581 111.358 108.800 -0.037 0.000 2.199 741 G HA2 -0.254 3.707 3.960 0.001 0.000 0.254 741 G HA3 -0.254 3.707 3.960 0.001 0.000 0.254 741 G C 0.058 174.927 174.900 -0.052 0.000 0.982 741 G CA 0.313 45.389 45.100 -0.039 0.000 0.632 741 G HN 0.461 nan 8.290 nan 0.000 0.529 742 V N 0.751 120.623 119.914 -0.071 0.000 2.472 742 V HA 0.888 5.009 4.120 0.001 0.000 0.290 742 V C 0.504 176.555 176.094 -0.073 0.000 1.037 742 V CA 0.037 62.281 62.300 -0.093 0.000 0.908 742 V CB 1.481 33.210 31.823 -0.156 0.000 0.985 742 V HN 1.428 nan 8.190 nan 0.000 0.454 743 A N 3.714 126.498 122.820 -0.059 0.000 2.566 743 A HA 0.761 5.082 4.320 0.001 0.000 0.292 743 A C -0.951 176.615 177.584 -0.031 0.000 1.112 743 A CA -0.830 51.184 52.037 -0.037 0.000 0.707 743 A CB 1.619 20.611 19.000 -0.012 0.000 1.302 743 A HN 0.664 nan 8.150 nan 0.000 0.409 744 N N 0.021 118.708 118.700 -0.021 0.000 2.430 744 N HA 0.615 5.356 4.740 0.001 0.000 0.292 744 N C -0.579 174.954 175.510 0.039 0.000 1.051 744 N CA -0.011 53.032 53.050 -0.011 0.000 0.917 744 N CB 1.858 40.321 38.487 -0.040 0.000 1.164 744 N HN 0.960 nan 8.380 nan 0.000 0.484 745 V N -0.714 119.238 119.914 0.065 0.000 3.159 745 V HA 0.720 4.841 4.120 0.001 0.000 0.308 745 V C -0.895 175.290 176.094 0.153 0.000 1.190 745 V CA -0.799 61.560 62.300 0.099 0.000 1.037 745 V CB 2.543 34.387 31.823 0.035 0.000 1.060 745 V HN 0.896 nan 8.190 nan 0.000 0.437 746 H N 1.396 120.435 119.070 -0.051 0.000 3.042 746 H HA 0.584 5.141 4.556 0.001 0.000 0.346 746 H C -2.145 173.142 175.328 -0.068 0.000 1.294 746 H CA -1.213 54.811 56.048 -0.039 0.000 1.141 746 H CB 1.607 31.378 29.762 0.014 0.000 1.872 746 H HN 0.714 nan 8.280 nan 0.000 0.541 747 L N 2.108 123.266 121.223 -0.109 0.000 2.276 747 L HA 0.194 4.535 4.340 0.001 0.000 0.286 747 L C 0.408 177.219 176.870 -0.099 0.000 1.061 747 L CA -0.165 54.570 54.840 -0.174 0.000 0.807 747 L CB 1.073 43.078 42.059 -0.091 0.000 1.177 747 L HN 0.669 nan 8.230 nan 0.000 0.429 748 D N 2.420 122.715 120.400 -0.175 0.000 2.389 748 D HA 0.471 5.112 4.640 0.001 0.000 0.247 748 D C -0.285 175.978 176.300 -0.060 0.000 1.128 748 D CA 0.254 54.218 54.000 -0.061 0.000 0.884 748 D CB 1.772 42.520 40.800 -0.087 0.000 1.194 748 D HN 0.659 nan 8.370 nan 0.000 0.441 749 A N 3.263 126.042 122.820 -0.067 0.000 2.454 749 A HA 0.710 5.031 4.320 0.001 0.000 0.302 749 A C -1.208 176.292 177.584 -0.140 0.000 1.079 749 A CA -0.650 51.246 52.037 -0.235 0.000 0.731 749 A CB 1.250 19.889 19.000 -0.601 0.000 1.299 749 A HN 0.527 nan 8.150 nan 0.000 0.413 750 L N 1.301 122.423 121.223 -0.169 0.000 2.349 750 L HA 0.437 4.777 4.340 0.001 0.000 0.278 750 L C -0.327 176.418 176.870 -0.209 0.000 0.996 750 L CA -0.243 54.578 54.840 -0.032 0.000 0.825 750 L CB 1.982 44.118 42.059 0.129 0.000 1.243 750 L HN 0.786 nan 8.230 nan 0.000 0.412 751 E N 4.104 124.249 120.200 -0.091 0.000 2.055 751 E HA 0.227 4.577 4.350 0.001 0.000 0.274 751 E C -1.080 175.425 176.600 -0.158 0.000 0.949 751 E CA -0.514 55.768 56.400 -0.197 0.000 0.775 751 E CB 0.607 30.316 29.700 0.014 0.000 1.097 751 E HN 0.447 nan 8.360 nan 0.000 0.404 752 H N 2.521 121.574 119.070 -0.028 0.000 2.638 752 H HA 0.386 4.943 4.556 0.001 0.000 0.317 752 H C 0.904 176.218 175.328 -0.023 0.000 1.006 752 H CA -0.375 55.659 56.048 -0.024 0.000 1.222 752 H CB 0.996 30.738 29.762 -0.033 0.000 1.419 752 H HN 0.727 nan 8.280 nan 0.000 0.489 753 G N 3.882 112.706 108.800 0.041 0.000 2.634 753 G HA2 -0.334 3.627 3.960 0.001 0.000 0.309 753 G HA3 -0.334 3.627 3.960 0.001 0.000 0.309 753 G C -0.094 174.791 174.900 -0.026 0.000 1.265 753 G CA 0.525 45.633 45.100 0.013 0.000 0.998 753 G HN 0.661 nan 8.290 nan 0.000 0.551 754 D N 1.966 122.354 120.400 -0.019 0.000 2.943 754 D HA 0.521 5.161 4.640 0.001 0.000 0.249 754 D C 0.437 176.705 176.300 -0.053 0.000 1.231 754 D CA 1.179 55.159 54.000 -0.033 0.000 0.979 754 D CB 0.339 41.129 40.800 -0.016 0.000 1.053 754 D HN 0.562 nan 8.370 nan 0.000 0.504 755 T N -0.149 114.333 114.554 -0.119 0.000 2.830 755 T HA 0.499 4.849 4.350 0.001 0.000 0.322 755 T C -1.841 172.627 174.700 -0.387 0.000 1.501 755 T CA -0.637 61.357 62.100 -0.177 0.000 1.036 755 T CB 1.401 70.223 68.868 -0.077 0.000 1.379 755 T HN 0.109 nan 8.240 nan 0.000 0.493 756 I N 2.843 123.174 120.570 -0.399 0.000 2.499 756 I HA 0.779 4.950 4.170 0.001 0.000 0.288 756 I C -0.639 175.062 176.117 -0.693 0.000 1.048 756 I CA -0.725 60.232 61.300 -0.572 0.000 1.062 756 I CB 1.374 39.082 38.000 -0.486 0.000 1.238 756 I HN 0.843 nan 8.210 nan 0.000 0.426 757 A N 6.883 129.341 122.820 -0.604 0.000 2.304 757 A HA 0.715 5.035 4.320 0.001 0.000 0.323 757 A C -1.372 175.857 177.584 -0.592 0.000 1.195 757 A CA -0.320 51.457 52.037 -0.434 0.000 0.826 757 A CB 0.440 19.431 19.000 -0.015 0.000 1.184 757 A HN 0.568 nan 8.150 nan 0.000 0.496 758 F N 3.195 123.002 119.950 -0.238 0.000 2.371 758 F HA 0.265 4.793 4.527 0.002 0.000 0.363 758 F C 1.363 176.800 175.800 -0.605 0.000 1.122 758 F CA -0.846 56.886 58.000 -0.446 0.000 1.129 758 F CB 1.294 39.977 39.000 -0.529 0.000 1.173 758 F HN 0.513 nan 8.300 nan 0.000 0.489 759 M N 1.880 121.321 119.600 -0.264 0.000 2.349 759 M HA -0.066 4.414 4.480 0.001 0.000 0.266 759 M C 0.805 177.010 176.300 -0.160 0.000 1.076 759 M CA 0.883 56.072 55.300 -0.185 0.000 1.126 759 M CB -0.884 31.654 32.600 -0.103 0.000 1.392 759 M HN 0.664 nan 8.290 nan 0.000 0.440 760 H N -0.055 118.987 119.070 -0.048 0.000 3.047 760 H HA -0.104 4.453 4.556 0.001 0.000 0.263 760 H C 0.156 175.385 175.328 -0.164 0.000 1.168 760 H CA 0.886 56.859 56.048 -0.126 0.000 1.152 760 H CB -2.223 27.426 29.762 -0.187 0.000 1.278 760 H HN 0.520 nan 8.280 nan 0.000 0.339 761 S N -0.705 114.947 115.700 -0.080 0.000 2.482 761 S HA 0.615 5.086 4.470 0.001 0.000 0.303 761 S C 0.248 174.717 174.600 -0.220 0.000 1.091 761 S CA -0.705 57.422 58.200 -0.122 0.000 1.057 761 S CB 3.146 66.296 63.200 -0.084 0.000 1.031 761 S HN 0.108 nan 8.310 nan 0.000 0.485 762 V N 4.069 123.815 119.914 -0.279 0.000 2.614 762 V HA 0.374 4.495 4.120 0.001 0.000 0.291 762 V C -0.039 175.887 176.094 -0.280 0.000 1.049 762 V CA -0.130 61.942 62.300 -0.381 0.000 1.038 762 V CB 0.809 32.286 31.823 -0.576 0.000 0.980 762 V HN 0.871 nan 8.190 nan 0.000 0.481 763 Q N 1.956 121.540 119.800 -0.359 0.000 2.423 763 Q HA 0.458 4.798 4.340 0.001 0.000 0.278 763 Q C -1.185 174.775 176.000 -0.068 0.000 1.097 763 Q CA -0.887 54.784 55.803 -0.221 0.000 0.809 763 Q CB 2.364 30.936 28.738 -0.277 0.000 1.391 763 Q HN 0.661 nan 8.270 nan 0.000 0.428 764 D N 0.260 120.683 120.400 0.039 0.000 2.344 764 D HA 0.505 5.145 4.640 0.001 0.000 0.244 764 D C 0.731 177.132 176.300 0.170 0.000 1.134 764 D CA 0.906 54.959 54.000 0.088 0.000 0.930 764 D CB 0.797 41.629 40.800 0.054 0.000 1.175 764 D HN 0.707 nan 8.370 nan 0.000 0.437 765 G N -0.520 108.350 108.800 0.117 0.000 2.756 765 G HA2 0.253 4.214 3.960 0.001 0.000 0.678 765 G HA3 0.253 4.214 3.960 0.001 0.000 0.678 765 G C -0.398 174.516 174.900 0.022 0.000 1.349 765 G CA -0.368 44.768 45.100 0.060 0.000 0.847 765 G HN 0.692 nan 8.290 nan 0.000 0.548 766 A N 0.081 122.837 122.820 -0.107 0.000 2.322 766 A HA 0.962 5.283 4.320 0.001 0.000 0.269 766 A C 1.156 178.474 177.584 -0.443 0.000 1.094 766 A CA 1.092 53.000 52.037 -0.215 0.000 0.807 766 A CB 0.522 19.393 19.000 -0.215 0.000 1.047 766 A HN 2.640 nan 8.150 nan 0.000 0.487 767 A N 0.988 123.558 122.820 -0.415 0.000 2.492 767 A HA 0.391 4.712 4.320 0.001 0.000 0.236 767 A C 1.388 178.983 177.584 0.019 0.000 1.078 767 A CA 0.463 52.298 52.037 -0.337 0.000 0.773 767 A CB -0.196 18.914 19.000 0.183 0.000 1.023 767 A HN 1.046 nan 8.150 nan 0.000 0.504 768 S N 0.299 116.024 115.700 0.043 0.000 2.387 768 S HA 0.002 4.473 4.470 0.001 0.000 0.226 768 S C 0.735 175.355 174.600 0.033 0.000 1.026 768 S CA 1.637 59.870 58.200 0.055 0.000 0.972 768 S CB -0.302 62.922 63.200 0.040 0.000 0.814 768 S HN 0.848 nan 8.310 nan 0.000 0.477 769 K N 0.397 120.785 120.400 -0.020 0.000 2.579 769 K HA 0.475 4.796 4.320 0.001 0.000 0.284 769 K C -1.322 175.119 176.600 -0.265 0.000 0.990 769 K CA -0.910 55.195 56.287 -0.304 0.000 0.880 769 K CB 1.216 33.441 32.500 -0.458 0.000 1.488 769 K HN 0.038 nan 8.250 nan 0.000 0.425 770 S N 0.135 115.613 115.700 -0.370 0.000 2.554 770 S HA 0.309 4.780 4.470 0.001 0.000 0.278 770 S C -0.376 174.108 174.600 -0.193 0.000 1.242 770 S CA -0.617 57.554 58.200 -0.049 0.000 1.051 770 S CB 0.054 63.226 63.200 -0.048 0.000 0.986 770 S HN 0.598 nan 8.310 nan 0.000 0.502 771 Y N 1.727 122.056 120.300 0.050 0.000 2.625 771 Y HA 0.347 4.897 4.550 0.001 0.000 0.285 771 Y C 2.030 177.929 175.900 -0.001 0.000 1.168 771 Y CA -0.539 57.575 58.100 0.023 0.000 1.250 771 Y CB -0.485 38.014 38.460 0.064 0.000 1.130 771 Y HN 0.905 nan 8.280 nan 0.000 0.526 772 G N 0.846 109.682 108.800 0.061 0.000 2.529 772 G HA2 -0.280 3.681 3.960 0.001 0.000 0.219 772 G HA3 -0.280 3.681 3.960 0.001 0.000 0.219 772 G C 1.616 176.519 174.900 0.004 0.000 1.177 772 G CA 1.293 46.391 45.100 -0.003 0.000 0.773 772 G HN 0.427 nan 8.290 nan 0.000 0.573 773 L N 0.573 121.787 121.223 -0.014 0.000 2.083 773 L HA -0.061 4.280 4.340 0.001 0.000 0.209 773 L C 3.416 180.289 176.870 0.006 0.000 1.083 773 L CA 1.056 55.887 54.840 -0.015 0.000 0.752 773 L CB -0.597 41.440 42.059 -0.037 0.000 0.899 773 L HN 0.334 nan 8.230 nan 0.000 0.433 774 A N -0.063 122.776 122.820 0.032 0.000 1.898 774 A HA -0.115 4.206 4.320 0.001 0.000 0.216 774 A C 2.341 179.955 177.584 0.051 0.000 1.181 774 A CA 1.587 53.651 52.037 0.045 0.000 0.620 774 A CB -0.738 18.322 19.000 0.100 0.000 0.819 774 A HN 0.189 nan 8.150 nan 0.000 0.442 775 V N -0.142 119.822 119.914 0.084 0.000 2.427 775 V HA -0.218 3.903 4.120 0.001 0.000 0.248 775 V C 3.001 179.122 176.094 0.045 0.000 1.051 775 V CA 1.814 64.165 62.300 0.086 0.000 1.048 775 V CB -1.158 30.727 31.823 0.104 0.000 0.666 775 V HN 0.603 nan 8.190 nan 0.000 0.456 776 A N 0.013 122.848 122.820 0.024 0.000 1.930 776 A HA -0.036 4.285 4.320 0.001 0.000 0.217 776 A C 2.405 179.993 177.584 0.008 0.000 1.175 776 A CA 1.817 53.859 52.037 0.008 0.000 0.627 776 A CB -0.637 18.361 19.000 -0.004 0.000 0.815 776 A HN 0.548 nan 8.150 nan 0.000 0.443 777 A N -0.603 122.221 122.820 0.007 0.000 1.930 777 A HA 0.007 4.328 4.320 0.001 0.000 0.217 777 A C 2.060 179.648 177.584 0.005 0.000 1.175 777 A CA 1.583 53.621 52.037 0.002 0.000 0.627 777 A CB -0.511 18.486 19.000 -0.004 0.000 0.815 777 A HN 0.613 nan 8.150 nan 0.000 0.443 778 L N -0.429 120.802 121.223 0.013 0.000 2.201 778 L HA 0.029 4.370 4.340 0.001 0.000 0.212 778 L C 2.413 179.297 176.870 0.023 0.000 1.105 778 L CA 1.830 56.681 54.840 0.019 0.000 0.775 778 L CB -0.466 41.615 42.059 0.037 0.000 0.913 778 L HN 0.309 nan 8.230 nan 0.000 0.440 779 A N -1.243 121.590 122.820 0.022 0.000 2.235 779 A HA 0.392 4.713 4.320 0.001 0.000 0.208 779 A C 1.717 179.308 177.584 0.011 0.000 1.172 779 A CA 0.683 52.731 52.037 0.018 0.000 0.786 779 A CB -0.740 18.269 19.000 0.015 0.000 0.804 779 A HN 0.787 nan 8.150 nan 0.000 0.479 780 G N -1.942 106.863 108.800 0.008 0.000 2.163 780 G HA2 -0.166 3.794 3.960 0.001 0.000 0.213 780 G HA3 -0.166 3.794 3.960 0.001 0.000 0.213 780 G C 0.139 175.040 174.900 0.002 0.000 0.991 780 G CA -0.061 45.042 45.100 0.005 0.000 0.653 780 G HN 0.671 nan 8.290 nan 0.000 0.518 781 V N 2.578 122.492 119.914 0.000 0.000 2.529 781 V HA 0.288 4.409 4.120 0.001 0.000 0.292 781 V C -1.069 175.023 176.094 -0.004 0.000 1.028 781 V CA -0.690 61.608 62.300 -0.003 0.000 1.074 781 V CB 0.845 32.665 31.823 -0.005 0.000 0.958 781 V HN 0.195 nan 8.190 nan 0.000 0.481 782 P HA 0.010 nan 4.420 nan 0.000 0.263 782 P C 0.697 177.993 177.300 -0.007 0.000 1.175 782 P CA 0.196 63.293 63.100 -0.005 0.000 0.761 782 P CB 0.388 32.085 31.700 -0.005 0.000 0.794 783 K N 2.049 122.445 120.400 -0.007 0.000 2.209 783 K HA -0.186 4.135 4.320 0.001 0.000 0.204 783 K C 1.396 177.990 176.600 -0.009 0.000 1.048 783 K CA 1.482 57.764 56.287 -0.008 0.000 0.940 783 K CB -0.054 32.441 32.500 -0.007 0.000 0.729 783 K HN 0.458 nan 8.250 nan 0.000 0.451 784 E N 0.571 120.766 120.200 -0.008 0.000 2.110 784 E HA -0.128 4.223 4.350 0.001 0.000 0.193 784 E C 2.016 178.610 176.600 -0.010 0.000 0.988 784 E CA 0.839 57.234 56.400 -0.009 0.000 0.804 784 E CB -0.473 29.223 29.700 -0.007 0.000 0.745 784 E HN 0.016 nan 8.360 nan 0.000 0.458 785 V N 1.197 121.105 119.914 -0.010 0.000 2.323 785 V HA -0.179 3.942 4.120 0.001 0.000 0.244 785 V C 2.142 178.227 176.094 -0.014 0.000 1.041 785 V CA 1.145 63.438 62.300 -0.012 0.000 1.025 785 V CB -0.404 31.413 31.823 -0.011 0.000 0.656 785 V HN 0.237 nan 8.190 nan 0.000 0.451 786 I N 0.555 121.117 120.570 -0.014 0.000 2.264 786 I HA -0.277 3.894 4.170 0.001 0.000 0.248 786 I C 2.458 178.564 176.117 -0.019 0.000 1.111 786 I CA 1.953 63.243 61.300 -0.017 0.000 1.382 786 I CB -1.056 36.935 38.000 -0.015 0.000 1.060 786 I HN 0.415 nan 8.210 nan 0.000 0.418 787 K N 1.052 121.442 120.400 -0.017 0.000 2.057 787 K HA -0.222 4.099 4.320 0.001 0.000 0.207 787 K C 2.328 178.917 176.600 -0.018 0.000 1.049 787 K CA 1.370 57.646 56.287 -0.018 0.000 0.931 787 K CB -0.013 32.478 32.500 -0.014 0.000 0.714 787 K HN -0.057 nan 8.250 nan 0.000 0.440 788 R N 0.448 120.938 120.500 -0.017 0.000 2.092 788 R HA 0.011 4.352 4.340 0.001 0.000 0.231 788 R C 1.952 178.240 176.300 -0.020 0.000 1.119 788 R CA 1.578 57.668 56.100 -0.017 0.000 0.970 788 R CB -0.586 29.706 30.300 -0.014 0.000 0.864 788 R HN 0.352 nan 8.270 nan 0.000 0.440 789 A N 0.190 122.997 122.820 -0.022 0.000 1.898 789 A HA -0.124 4.197 4.320 0.001 0.000 0.216 789 A C 2.119 179.684 177.584 -0.031 0.000 1.181 789 A CA 1.455 53.477 52.037 -0.026 0.000 0.620 789 A CB -0.369 18.615 19.000 -0.026 0.000 0.819 789 A HN 0.311 nan 8.150 nan 0.000 0.442 790 R N -0.793 119.688 120.500 -0.032 0.000 2.096 790 R HA -0.144 4.197 4.340 0.001 0.000 0.235 790 R C 2.511 178.790 176.300 -0.035 0.000 1.127 790 R CA 1.519 57.596 56.100 -0.038 0.000 0.968 790 R CB -0.273 30.005 30.300 -0.037 0.000 0.861 790 R HN 0.779 nan 8.270 nan 0.000 0.440 791 Q N 0.937 120.720 119.800 -0.027 0.000 2.016 791 Q HA -0.233 4.108 4.340 0.001 0.000 0.200 791 Q C 1.921 177.907 176.000 -0.024 0.000 0.978 791 Q CA 1.690 57.479 55.803 -0.024 0.000 0.833 791 Q CB 0.065 28.792 28.738 -0.019 0.000 0.895 791 Q HN -0.041 nan 8.270 nan 0.000 0.427 792 K N 0.516 120.902 120.400 -0.023 0.000 2.063 792 K HA -0.192 4.129 4.320 0.001 0.000 0.208 792 K C 1.929 178.515 176.600 -0.025 0.000 1.048 792 K CA 1.260 57.534 56.287 -0.021 0.000 0.928 792 K CB -0.700 31.787 32.500 -0.021 0.000 0.713 792 K HN 0.272 nan 8.250 nan 0.000 0.442 793 L N 1.340 122.544 121.223 -0.033 0.000 2.079 793 L HA -0.136 4.204 4.340 0.001 0.000 0.210 793 L C 1.839 178.685 176.870 -0.041 0.000 1.081 793 L CA 1.785 56.599 54.840 -0.042 0.000 0.752 793 L CB -0.394 41.630 42.059 -0.058 0.000 0.896 793 L HN 0.185 nan 8.230 nan 0.000 0.433 794 R N -0.567 119.911 120.500 -0.037 0.000 2.235 794 R HA -0.076 4.265 4.340 0.001 0.000 0.213 794 R C 1.925 178.210 176.300 -0.024 0.000 1.059 794 R CA 1.025 57.105 56.100 -0.034 0.000 0.997 794 R CB -0.264 30.016 30.300 -0.032 0.000 0.884 794 R HN 0.573 nan 8.270 nan 0.000 0.462 795 E N 1.133 121.321 120.200 -0.020 0.000 2.028 795 E HA -0.089 4.262 4.350 0.001 0.000 0.190 795 E C 2.101 178.695 176.600 -0.011 0.000 0.984 795 E CA 0.825 57.217 56.400 -0.014 0.000 0.800 795 E CB -0.078 29.616 29.700 -0.011 0.000 0.758 795 E HN 0.186 nan 8.360 nan 0.000 0.448 796 L N 1.116 122.332 121.223 -0.011 0.000 2.042 796 L HA -0.223 4.118 4.340 0.001 0.000 0.210 796 L C 2.222 179.089 176.870 -0.005 0.000 1.076 796 L CA 1.326 56.165 54.840 -0.002 0.000 0.749 796 L CB -0.410 41.649 42.059 -0.001 0.000 0.893 796 L HN 0.143 nan 8.230 nan 0.000 0.432 797 E N -0.399 119.789 120.200 -0.020 0.000 2.409 797 E HA -0.145 4.206 4.350 0.001 0.000 0.198 797 E C 2.006 178.596 176.600 -0.016 0.000 1.024 797 E CA 1.092 57.477 56.400 -0.025 0.000 0.861 797 E CB 0.026 29.699 29.700 -0.046 0.000 0.788 797 E HN 0.505 nan 8.360 nan 0.000 0.521 798 S N -0.269 115.423 115.700 -0.012 0.000 2.575 798 S HA 0.088 4.559 4.470 0.001 0.000 0.215 798 S C 1.746 176.343 174.600 -0.005 0.000 0.966 798 S CA -0.235 57.960 58.200 -0.009 0.000 0.911 798 S CB -0.146 63.048 63.200 -0.010 0.000 0.780 798 S HN 0.150 nan 8.310 nan 0.000 0.514 799 I N 1.238 121.807 120.570 -0.001 0.000 2.286 799 I HA -0.057 4.114 4.170 0.001 0.000 0.248 799 I C 1.678 177.794 176.117 -0.001 0.000 1.115 799 I CA 0.821 62.121 61.300 0.001 0.000 1.392 799 I CB -0.198 37.807 38.000 0.008 0.000 1.065 799 I HN 0.357 nan 8.210 nan 0.000 0.418 800 S N 0.000 115.701 115.700 0.002 0.000 2.498 800 S HA 0.000 4.471 4.470 0.001 0.000 0.327 800 S CA 0.000 58.202 58.200 0.003 0.000 1.107 800 S CB 0.000 63.205 63.200 0.008 0.000 0.593 800 S HN 0.000 nan 8.310 nan 0.000 0.517