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 1ukt_1_A DATA FIRST_RESID 1 DATA SEQUENCE APDTSVSNKQ NFSTDVIYQI FTDRFSDGNP ANNPTGAAFD GScTNLRLYc DATA SEQUENCE GGDWQGIINK INDGYLTGMG ITAIWISQPV ENIYSVINYS GVNNTAYHGL DATA SEQUENCE WARDFKKTNP AYGTMQDFKN LIDTAHAHNI KVIIDFAPNH TSPASSDDPS DATA SEQUENCE FAENGRLYDN GNLLGGYTND TQNLFHHYGG TDFSTIENGI YKNLYDLADL DATA SEQUENCE NHNNSSVDVY LKDAIKMWLD LGVDGIRVDA VKHMPFGWQK SFMATINNYK DATA SEQUENCE PVFTFGEWFL GVNEISPEYH QFANESGMSL LDFRFAQKAR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS EVDYAQVNDQ VTFIDNHDME RFHTSNGDRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GSEQYMSGGN DPDNRARLPS FSTTTTAYQV IQKLAPLRKS DATA SEQUENCE NPAIAYGSTH ERWINNDVII YERKFGNNVA VVAINRNMNT PASITGLVTS DATA SEQUENCE LPRGSYNDVL GGILNGNTLT VGAGGAASNF TLAPGGTAVW QYTTDATTPI DATA SEQUENCE IGNVGPMMAK PGVTITIDGR GFGSGKGTVY FGTTAVTGAD IVAWEDTQIQ DATA SEQUENCE VKIPAVPGGI YDIRVANAAG AASNIYDNFE VLTGDQVTVR FVINNATTAL DATA SEQUENCE GQNVFLTGNV SELGNWDPNN AIGPMYNQVV YQYPTWYYDV SVPAGQTIEF DATA SEQUENCE KFLKKQGSTV TWEGGANRTF TTPTSGTATV NVNWQP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.562 177.584 -0.037 0.000 1.274 1 A CA 0.000 52.019 52.037 -0.031 0.000 0.836 1 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 2 P HA 0.147 nan 4.420 nan 0.000 0.271 2 P C -0.145 177.122 177.300 -0.056 0.000 1.244 2 P CA 0.415 63.487 63.100 -0.047 0.000 0.793 2 P CB 0.540 32.209 31.700 -0.050 0.000 0.984 3 D N -0.506 119.865 120.400 -0.049 0.000 2.264 3 D HA -0.114 4.526 4.640 -0.000 0.000 0.208 3 D C 1.107 177.365 176.300 -0.070 0.000 0.966 3 D CA 1.538 55.515 54.000 -0.039 0.000 0.864 3 D CB -1.195 39.614 40.800 0.015 0.000 0.933 3 D HN 0.420 nan 8.370 nan 0.000 0.499 4 T N -2.614 111.888 114.554 -0.086 0.000 3.100 4 T HA 0.070 4.420 4.350 -0.000 0.000 0.253 4 T C 1.064 175.684 174.700 -0.134 0.000 1.118 4 T CA -0.278 61.750 62.100 -0.121 0.000 1.058 4 T CB -0.106 68.696 68.868 -0.110 0.000 0.953 4 T HN 0.072 nan 8.240 nan 0.000 0.515 5 S N 0.650 116.279 115.700 -0.118 0.000 2.568 5 S HA 0.141 4.611 4.470 -0.000 0.000 0.282 5 S C 1.393 175.895 174.600 -0.163 0.000 1.338 5 S CA -0.428 57.699 58.200 -0.121 0.000 1.045 5 S CB 1.049 64.189 63.200 -0.099 0.000 0.873 5 S HN 0.212 nan 8.310 nan 0.000 0.516 6 V N 4.663 124.476 119.914 -0.168 0.000 2.913 6 V HA -0.045 4.075 4.120 -0.000 0.000 0.260 6 V C 1.912 177.854 176.094 -0.254 0.000 1.098 6 V CA 2.217 64.385 62.300 -0.219 0.000 1.121 6 V CB -0.514 31.191 31.823 -0.197 0.000 0.714 6 V HN 0.943 nan 8.190 nan 0.000 0.487 7 S N 0.547 116.130 115.700 -0.195 0.000 2.515 7 S HA -0.008 4.461 4.470 -0.000 0.000 0.231 7 S C 1.149 175.671 174.600 -0.129 0.000 0.987 7 S CA 0.245 58.345 58.200 -0.167 0.000 0.936 7 S CB -0.452 62.678 63.200 -0.118 0.000 0.766 7 S HN 0.662 nan 8.310 nan 0.000 0.528 8 N N 2.262 120.877 118.700 -0.143 0.000 2.605 8 N HA 0.104 4.844 4.740 -0.000 0.000 0.258 8 N C 0.447 175.904 175.510 -0.090 0.000 1.156 8 N CA 0.110 53.094 53.050 -0.111 0.000 1.008 8 N CB 0.277 38.686 38.487 -0.130 0.000 1.354 8 N HN 0.322 nan 8.380 nan 0.000 0.509 9 K N 1.791 122.197 120.400 0.010 0.000 2.314 9 K HA -0.002 4.318 4.320 -0.000 0.000 0.198 9 K C 1.240 178.003 176.600 0.271 0.000 1.045 9 K CA 0.481 56.871 56.287 0.173 0.000 0.988 9 K CB 0.448 33.026 32.500 0.129 0.000 0.783 9 K HN 0.312 nan 8.250 nan 0.000 0.484 10 Q N 0.801 120.687 119.800 0.144 0.000 2.016 10 Q HA -0.003 4.337 4.340 -0.000 0.000 0.200 10 Q C 0.308 176.426 176.000 0.196 0.000 0.978 10 Q CA 1.142 57.034 55.803 0.148 0.000 0.833 10 Q CB 0.076 28.853 28.738 0.066 0.000 0.895 10 Q HN 0.189 nan 8.270 nan 0.000 0.427 11 N N -0.739 118.030 118.700 0.115 0.000 2.361 11 N HA 0.248 4.988 4.740 -0.000 0.000 0.302 11 N C -0.818 174.699 175.510 0.013 0.000 1.074 11 N CA -0.257 52.811 53.050 0.031 0.000 0.850 11 N CB 1.224 39.704 38.487 -0.012 0.000 1.228 11 N HN 0.030 nan 8.380 nan 0.000 0.491 12 F N 0.029 119.639 119.950 -0.566 0.000 2.781 12 F HA 0.087 4.614 4.527 -0.000 0.000 0.322 12 F C 2.067 177.592 175.800 -0.459 0.000 1.108 12 F CA -0.270 57.395 58.000 -0.559 0.000 1.179 12 F CB 0.029 38.497 39.000 -0.888 0.000 1.072 12 F HN 0.405 nan 8.300 nan 0.000 0.545 13 S N -1.021 114.539 115.700 -0.233 0.000 2.419 13 S HA -0.215 4.255 4.470 -0.000 0.000 0.235 13 S C 1.899 176.306 174.600 -0.322 0.000 1.019 13 S CA 1.769 59.813 58.200 -0.259 0.000 0.982 13 S CB -1.210 61.869 63.200 -0.202 0.000 0.789 13 S HN 0.438 nan 8.310 nan 0.000 0.490 14 T N -0.947 113.413 114.554 -0.324 0.000 3.219 14 T HA 0.210 4.560 4.350 -0.000 0.000 0.249 14 T C -0.091 174.455 174.700 -0.258 0.000 1.099 14 T CA -0.400 61.502 62.100 -0.330 0.000 0.988 14 T CB -0.284 68.401 68.868 -0.305 0.000 0.999 14 T HN 0.267 nan 8.240 nan 0.000 0.550 15 D N 0.742 120.999 120.400 -0.238 0.000 2.299 15 D HA 0.513 5.153 4.640 -0.000 0.000 0.243 15 D C -0.895 175.342 176.300 -0.106 0.000 0.982 15 D CA -0.517 53.367 54.000 -0.192 0.000 0.924 15 D CB 2.700 43.341 40.800 -0.265 0.000 1.238 15 D HN 0.034 nan 8.370 nan 0.000 0.484 16 V N 2.020 121.898 119.914 -0.060 0.000 2.409 16 V HA 0.352 4.472 4.120 -0.000 0.000 0.291 16 V C 0.257 176.400 176.094 0.081 0.000 1.020 16 V CA -0.702 61.593 62.300 -0.008 0.000 0.848 16 V CB 1.502 33.307 31.823 -0.031 0.000 0.990 16 V HN 0.374 nan 8.190 nan 0.000 0.430 17 I N 4.690 125.350 120.570 0.149 0.000 2.365 17 I HA 0.330 4.500 4.170 -0.000 0.000 0.291 17 I C -0.838 175.472 176.117 0.322 0.000 1.004 17 I CA -0.469 60.991 61.300 0.266 0.000 1.311 17 I CB 1.015 39.202 38.000 0.312 0.000 1.401 17 I HN 0.616 nan 8.210 nan 0.000 0.491 18 Y N 6.538 126.948 120.300 0.183 0.000 2.417 18 Y HA 0.229 4.779 4.550 -0.000 0.000 0.336 18 Y C 0.227 176.217 175.900 0.149 0.000 0.961 18 Y CA -0.549 57.633 58.100 0.137 0.000 1.215 18 Y CB 0.875 39.373 38.460 0.064 0.000 1.120 18 Y HN 0.511 nan 8.280 nan 0.000 0.499 19 Q N 6.783 126.513 119.800 -0.117 0.000 2.307 19 Q HA 0.401 4.741 4.340 -0.000 0.000 0.259 19 Q C -1.349 174.459 176.000 -0.320 0.000 0.998 19 Q CA -0.146 55.493 55.803 -0.273 0.000 0.923 19 Q CB 0.510 28.985 28.738 -0.438 0.000 1.196 19 Q HN 0.758 nan 8.270 nan 0.000 0.416 20 I N 3.486 123.830 120.570 -0.376 0.000 2.530 20 I HA 0.296 4.466 4.170 -0.000 0.000 0.297 20 I C -0.799 175.075 176.117 -0.404 0.000 1.011 20 I CA -0.838 60.202 61.300 -0.434 0.000 1.107 20 I CB 1.492 39.194 38.000 -0.496 0.000 1.285 20 I HN 0.599 nan 8.210 nan 0.000 0.436 21 F N 4.160 123.750 119.950 -0.601 0.000 2.309 21 F HA 0.186 4.712 4.527 -0.000 0.000 0.366 21 F C 1.637 177.264 175.800 -0.288 0.000 1.104 21 F CA -0.103 57.696 58.000 -0.336 0.000 1.179 21 F CB 0.952 39.821 39.000 -0.217 0.000 1.437 21 F HN 0.568 nan 8.300 nan 0.000 0.528 22 T N 0.926 115.367 114.554 -0.189 0.000 2.656 22 T HA -0.390 3.960 4.350 -0.000 0.000 0.262 22 T C 1.686 176.370 174.700 -0.026 0.000 1.070 22 T CA 2.392 64.374 62.100 -0.197 0.000 1.160 22 T CB -0.286 68.177 68.868 -0.674 0.000 0.855 22 T HN 0.612 nan 8.240 nan 0.000 0.456 23 D N 0.184 120.632 120.400 0.080 0.000 2.123 23 D HA -0.083 4.557 4.640 -0.000 0.000 0.196 23 D C 1.909 178.293 176.300 0.139 0.000 0.992 23 D CA 0.949 55.082 54.000 0.222 0.000 0.833 23 D CB 0.009 41.020 40.800 0.353 0.000 0.954 23 D HN 0.155 nan 8.370 nan 0.000 0.455 24 R N -1.083 119.470 120.500 0.089 0.000 2.391 24 R HA 0.214 4.554 4.340 -0.000 0.000 0.249 24 R C 0.434 176.752 176.300 0.030 0.000 0.957 24 R CA -0.125 55.984 56.100 0.015 0.000 1.093 24 R CB -0.221 30.061 30.300 -0.031 0.000 1.156 24 R HN 0.220 nan 8.270 nan 0.000 0.526 25 F N -1.267 118.626 119.950 -0.094 0.000 2.414 25 F HA 0.407 4.934 4.527 -0.000 0.000 0.255 25 F C 0.197 176.088 175.800 0.151 0.000 1.032 25 F CA 0.023 58.018 58.000 -0.009 0.000 1.049 25 F CB 0.281 39.267 39.000 -0.022 0.000 1.140 25 F HN -0.168 nan 8.300 nan 0.000 0.643 26 S N 0.087 115.828 115.700 0.069 0.000 2.668 26 S HA 0.233 4.702 4.470 -0.000 0.000 0.277 26 S C -1.751 172.878 174.600 0.049 0.000 1.170 26 S CA -0.728 57.446 58.200 -0.044 0.000 0.994 26 S CB 0.762 63.804 63.200 -0.262 0.000 1.051 26 S HN 0.277 nan 8.310 nan 0.000 0.484 27 D N 3.724 124.149 120.400 0.042 0.000 2.470 27 D HA 0.327 4.967 4.640 -0.000 0.000 0.226 27 D C 1.299 177.618 176.300 0.032 0.000 1.196 27 D CA 0.031 54.070 54.000 0.065 0.000 0.979 27 D CB 0.235 41.092 40.800 0.094 0.000 1.059 27 D HN 0.712 nan 8.370 nan 0.000 0.515 28 G N 2.913 111.736 108.800 0.038 0.000 2.744 28 G HA2 -0.131 3.828 3.960 -0.000 0.000 0.211 28 G HA3 -0.131 3.828 3.960 -0.000 0.000 0.211 28 G C 0.639 175.555 174.900 0.025 0.000 1.143 28 G CA -0.175 44.939 45.100 0.023 0.000 0.788 28 G HN 0.453 nan 8.290 nan 0.000 0.534 29 N N -0.917 117.801 118.700 0.030 0.000 2.542 29 N HA 0.295 5.035 4.740 -0.000 0.000 0.288 29 N C -2.604 172.904 175.510 -0.003 0.000 1.115 29 N CA -1.540 51.519 53.050 0.015 0.000 0.924 29 N CB 2.457 40.959 38.487 0.024 0.000 1.526 29 N HN -0.260 nan 8.380 nan 0.000 0.515 30 P HA 0.158 nan 4.420 nan 0.000 0.226 30 P C 0.926 178.161 177.300 -0.109 0.000 1.161 30 P CA 0.567 63.628 63.100 -0.066 0.000 0.804 30 P CB 0.359 32.026 31.700 -0.055 0.000 0.829 31 A N 1.449 124.224 122.820 -0.075 0.000 2.032 31 A HA -0.224 4.096 4.320 -0.000 0.000 0.221 31 A C 1.819 179.345 177.584 -0.096 0.000 1.165 31 A CA 2.167 54.156 52.037 -0.080 0.000 0.645 31 A CB -1.504 17.467 19.000 -0.048 0.000 0.807 31 A HN 0.319 nan 8.150 nan 0.000 0.453 32 N N -0.476 118.172 118.700 -0.086 0.000 2.336 32 N HA 0.022 4.762 4.740 -0.000 0.000 0.189 32 N C -0.522 174.902 175.510 -0.144 0.000 1.113 32 N CA -0.170 52.823 53.050 -0.095 0.000 0.858 32 N CB -0.624 37.828 38.487 -0.058 0.000 0.970 32 N HN 0.221 nan 8.380 nan 0.000 0.471 33 N N 2.018 120.604 118.700 -0.189 0.000 2.492 33 N HA 0.238 4.977 4.740 -0.000 0.000 0.262 33 N C -2.337 172.965 175.510 -0.348 0.000 1.202 33 N CA -1.068 51.814 53.050 -0.280 0.000 0.926 33 N CB 0.275 38.449 38.487 -0.521 0.000 1.078 33 N HN 0.199 nan 8.380 nan 0.000 0.454 34 P HA 0.111 nan 4.420 nan 0.000 0.271 34 P C -0.234 176.946 177.300 -0.199 0.000 1.233 34 P CA -0.095 62.863 63.100 -0.236 0.000 0.789 34 P CB 0.567 32.087 31.700 -0.300 0.000 0.951 35 T N -2.411 112.081 114.554 -0.102 0.000 2.907 35 T HA 0.726 5.076 4.350 -0.000 0.000 0.290 35 T C 0.368 175.091 174.700 0.038 0.000 1.066 35 T CA -0.087 61.974 62.100 -0.065 0.000 1.012 35 T CB 1.433 70.235 68.868 -0.110 0.000 1.184 35 T HN 0.747 nan 8.240 nan 0.000 0.522 36 G N 0.704 109.537 108.800 0.056 0.000 2.498 36 G HA2 0.142 4.102 3.960 -0.000 0.000 0.245 36 G HA3 0.142 4.102 3.960 -0.000 0.000 0.245 36 G C 0.764 175.727 174.900 0.105 0.000 1.204 36 G CA 0.088 45.227 45.100 0.064 0.000 0.933 36 G HN 1.868 nan 8.290 nan 0.000 0.574 37 A N 0.013 122.884 122.820 0.085 0.000 2.291 37 A HA 0.676 4.995 4.320 -0.000 0.000 0.220 37 A C 2.028 179.683 177.584 0.118 0.000 1.262 37 A CA 1.595 53.685 52.037 0.088 0.000 0.867 37 A CB -0.668 18.369 19.000 0.061 0.000 0.888 37 A HN 2.221 nan 8.150 nan 0.000 0.487 38 A N -1.377 121.542 122.820 0.165 0.000 2.288 38 A HA 0.539 4.859 4.320 -0.000 0.000 0.216 38 A C 0.154 177.930 177.584 0.319 0.000 1.199 38 A CA -0.054 52.123 52.037 0.234 0.000 0.891 38 A CB 0.033 19.171 19.000 0.230 0.000 0.923 38 A HN 0.470 nan 8.150 nan 0.000 0.500 39 F N 0.112 120.120 119.950 0.095 0.000 2.480 39 F HA 0.605 5.131 4.527 -0.000 0.000 0.329 39 F C -1.051 174.785 175.800 0.060 0.000 1.091 39 F CA -1.325 56.728 58.000 0.088 0.000 0.972 39 F CB 1.823 40.843 39.000 0.033 0.000 1.150 39 F HN 0.005 nan 8.300 nan 0.000 0.467 40 D N 3.176 123.060 120.400 -0.860 0.000 2.621 40 D HA 0.229 4.869 4.640 -0.000 0.000 0.274 40 D C 1.055 176.861 176.300 -0.825 0.000 1.215 40 D CA 0.071 53.719 54.000 -0.587 0.000 0.810 40 D CB 0.415 41.040 40.800 -0.291 0.000 1.248 40 D HN 0.705 nan 8.370 nan 0.000 0.517 41 G N 0.699 108.891 108.800 -1.012 0.000 2.568 41 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 41 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 41 G C 1.186 175.990 174.900 -0.159 0.000 1.104 41 G CA 1.157 46.008 45.100 -0.415 0.000 0.738 41 G HN 0.501 nan 8.290 nan 0.000 0.574 42 S N -2.094 113.509 115.700 -0.162 0.000 2.557 42 S HA 0.137 4.606 4.470 -0.000 0.000 0.223 42 S C 1.055 175.590 174.600 -0.109 0.000 0.969 42 S CA 0.231 58.376 58.200 -0.091 0.000 0.927 42 S CB -0.427 62.737 63.200 -0.059 0.000 0.806 42 S HN 0.541 nan 8.310 nan 0.000 0.489 43 c N 2.118 120.618 118.600 -0.167 0.000 3.860 43 c HA -0.201 4.369 4.570 -0.000 0.000 0.292 43 c C 1.734 175.749 174.090 -0.124 0.000 1.445 43 c CA 1.191 57.423 56.329 -0.161 0.000 2.040 43 c CB -2.842 39.591 42.510 -0.129 0.000 1.314 43 c HN 0.799 nan 8.230 nan 0.000 0.678 44 T N -0.496 113.990 114.554 -0.114 0.000 2.901 44 T HA -0.037 4.312 4.350 -0.000 0.000 0.252 44 T C 0.816 175.465 174.700 -0.085 0.000 1.035 44 T CA 1.169 63.220 62.100 -0.081 0.000 1.142 44 T CB -0.169 68.662 68.868 -0.062 0.000 0.869 44 T HN 0.658 nan 8.240 nan 0.000 0.442 45 N N 1.982 120.623 118.700 -0.099 0.000 2.469 45 N HA 0.138 4.878 4.740 -0.000 0.000 0.239 45 N C 0.061 175.483 175.510 -0.145 0.000 1.053 45 N CA -0.365 52.631 53.050 -0.090 0.000 0.937 45 N CB 0.678 39.127 38.487 -0.063 0.000 1.163 45 N HN -0.054 nan 8.380 nan 0.000 0.509 46 L N 3.305 124.436 121.223 -0.153 0.000 2.622 46 L HA 0.094 4.434 4.340 -0.000 0.000 0.233 46 L C 1.532 178.180 176.870 -0.369 0.000 1.156 46 L CA 0.783 55.470 54.840 -0.254 0.000 0.866 46 L CB -0.383 41.562 42.059 -0.189 0.000 0.980 46 L HN 0.494 nan 8.230 nan 0.000 0.448 47 R N -1.790 118.585 120.500 -0.207 0.000 2.468 47 R HA 0.281 4.621 4.340 -0.000 0.000 0.280 47 R C -0.284 175.976 176.300 -0.066 0.000 0.963 47 R CA -0.248 55.806 56.100 -0.076 0.000 1.083 47 R CB 0.529 30.885 30.300 0.094 0.000 1.200 47 R HN 0.111 nan 8.270 nan 0.000 0.541 48 L N -0.527 120.575 121.223 -0.203 0.000 2.304 48 L HA 0.360 4.699 4.340 -0.000 0.000 0.268 48 L C -0.320 176.447 176.870 -0.172 0.000 1.010 48 L CA -0.973 53.805 54.840 -0.102 0.000 0.813 48 L CB 0.699 42.719 42.059 -0.066 0.000 1.315 48 L HN -0.104 nan 8.230 nan 0.000 0.445 49 Y N -0.458 119.821 120.300 -0.036 0.000 2.425 49 Y HA 0.031 4.581 4.550 -0.000 0.000 0.331 49 Y C 0.936 176.724 175.900 -0.187 0.000 1.157 49 Y CA 0.205 58.314 58.100 0.015 0.000 1.372 49 Y CB 0.771 39.334 38.460 0.172 0.000 1.253 49 Y HN 0.538 nan 8.280 nan 0.000 0.536 50 c N 0.782 119.395 118.600 0.020 0.000 3.019 50 c HA 0.339 4.909 4.570 -0.000 0.000 0.295 50 c C 1.712 175.845 174.090 0.072 0.000 1.256 50 c CA 0.498 56.734 56.329 -0.155 0.000 1.706 50 c CB -0.391 42.046 42.510 -0.121 0.000 2.153 50 c HN 1.210 nan 8.230 nan 0.000 0.618 51 G N 0.239 109.243 108.800 0.340 0.000 2.284 51 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.201 51 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.201 51 G C 0.439 175.490 174.900 0.252 0.000 0.998 51 G CA -0.087 45.268 45.100 0.425 0.000 0.651 51 G HN 0.775 nan 8.290 nan 0.000 0.489 52 G N 0.762 109.687 108.800 0.209 0.000 2.474 52 G HA2 0.490 4.450 3.960 -0.000 0.000 0.233 52 G HA3 0.490 4.450 3.960 -0.000 0.000 0.233 52 G C 0.042 175.024 174.900 0.136 0.000 1.278 52 G CA 1.216 46.411 45.100 0.159 0.000 0.861 52 G HN 1.162 nan 8.290 nan 0.000 0.567 53 D N -0.844 119.610 120.400 0.090 0.000 2.752 53 D HA 0.296 4.936 4.640 -0.000 0.000 0.313 53 D C 0.462 176.820 176.300 0.096 0.000 1.225 53 D CA -0.919 53.083 54.000 0.005 0.000 0.976 53 D CB 0.368 41.179 40.800 0.018 0.000 1.443 53 D HN 0.303 nan 8.370 nan 0.000 0.515 54 W N -0.429 120.942 121.300 0.120 0.000 2.388 54 W HA -0.032 4.628 4.660 -0.000 0.000 0.294 54 W C 2.105 178.677 176.519 0.088 0.000 1.212 54 W CA 0.993 58.398 57.345 0.100 0.000 1.271 54 W CB -0.912 28.636 29.460 0.146 0.000 1.126 54 W HN 0.573 nan 8.180 nan 0.000 0.535 55 Q N 0.424 120.398 119.800 0.290 0.000 2.291 55 Q HA -0.068 4.271 4.340 -0.000 0.000 0.206 55 Q C 2.225 178.306 176.000 0.135 0.000 0.976 55 Q CA 2.043 57.953 55.803 0.178 0.000 0.875 55 Q CB -0.800 28.014 28.738 0.126 0.000 0.927 55 Q HN 0.160 nan 8.270 nan 0.000 0.450 56 G N -0.346 108.547 108.800 0.156 0.000 2.448 56 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.218 56 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.218 56 G C 1.263 176.282 174.900 0.197 0.000 1.135 56 G CA 0.708 45.882 45.100 0.123 0.000 0.784 56 G HN 0.424 nan 8.290 nan 0.000 0.543 57 I N 0.369 121.116 120.570 0.294 0.000 2.585 57 I HA 0.095 4.264 4.170 -0.000 0.000 0.254 57 I C 2.415 178.639 176.117 0.178 0.000 1.129 57 I CA 0.228 61.736 61.300 0.346 0.000 1.455 57 I CB -0.031 38.124 38.000 0.258 0.000 1.111 57 I HN 0.061 nan 8.210 nan 0.000 0.433 58 I N 1.286 121.926 120.570 0.117 0.000 2.264 58 I HA -0.307 3.863 4.170 -0.000 0.000 0.248 58 I C 2.054 178.177 176.117 0.011 0.000 1.111 58 I CA 1.312 62.635 61.300 0.038 0.000 1.382 58 I CB -0.541 37.487 38.000 0.047 0.000 1.060 58 I HN 0.342 nan 8.210 nan 0.000 0.418 59 N N 1.021 119.736 118.700 0.026 0.000 2.142 59 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 59 N C 1.644 177.134 175.510 -0.033 0.000 1.023 59 N CA 1.077 54.114 53.050 -0.022 0.000 0.852 59 N CB -0.173 38.279 38.487 -0.059 0.000 0.998 59 N HN 0.285 nan 8.380 nan 0.000 0.424 60 K N 0.472 120.887 120.400 0.025 0.000 2.432 60 K HA 0.134 4.453 4.320 -0.000 0.000 0.196 60 K C 1.751 178.440 176.600 0.150 0.000 1.038 60 K CA 0.223 56.569 56.287 0.098 0.000 0.986 60 K CB 0.278 32.942 32.500 0.273 0.000 0.782 60 K HN 0.314 nan 8.250 nan 0.000 0.485 61 I N 0.371 120.966 120.570 0.041 0.000 2.731 61 I HA -0.140 4.030 4.170 -0.000 0.000 0.260 61 I C 1.677 177.665 176.117 -0.214 0.000 1.138 61 I CA 0.644 61.891 61.300 -0.088 0.000 1.461 61 I CB -0.094 37.796 38.000 -0.184 0.000 1.128 61 I HN 0.192 nan 8.210 nan 0.000 0.438 62 N N 1.034 119.636 118.700 -0.162 0.000 2.171 62 N HA -0.177 4.563 4.740 -0.000 0.000 0.184 62 N C 0.746 176.252 175.510 -0.005 0.000 1.021 62 N CA 1.293 54.280 53.050 -0.105 0.000 0.854 62 N CB 0.094 38.552 38.487 -0.048 0.000 0.994 62 N HN 0.369 nan 8.380 nan 0.000 0.426 63 D N -0.536 119.865 120.400 0.002 0.000 2.344 63 D HA 0.120 4.760 4.640 -0.000 0.000 0.242 63 D C 1.019 177.358 176.300 0.065 0.000 1.159 63 D CA 0.134 54.148 54.000 0.024 0.000 0.859 63 D CB -0.362 40.433 40.800 -0.009 0.000 0.925 63 D HN 0.217 nan 8.370 nan 0.000 0.510 64 G N -0.182 108.661 108.800 0.072 0.000 2.175 64 G HA2 -0.478 3.481 3.960 -0.000 0.000 0.265 64 G HA3 -0.478 3.481 3.960 -0.000 0.000 0.265 64 G C 0.635 175.615 174.900 0.133 0.000 0.979 64 G CA 0.671 45.827 45.100 0.092 0.000 0.663 64 G HN 0.476 nan 8.290 nan 0.000 0.533 65 Y N 0.133 120.478 120.300 0.074 0.000 2.114 65 Y HA 0.064 4.614 4.550 -0.000 0.000 0.284 65 Y C 2.523 178.526 175.900 0.172 0.000 1.143 65 Y CA 2.312 60.509 58.100 0.161 0.000 1.135 65 Y CB -0.248 38.315 38.460 0.171 0.000 0.980 65 Y HN 0.227 nan 8.280 nan 0.000 0.499 66 L N 0.013 121.284 121.223 0.080 0.000 2.023 66 L HA -0.147 4.193 4.340 -0.000 0.000 0.205 66 L C 2.746 179.521 176.870 -0.158 0.000 1.073 66 L CA 2.464 57.232 54.840 -0.121 0.000 0.745 66 L CB -1.683 40.381 42.059 0.008 0.000 0.900 66 L HN 0.491 nan 8.230 nan 0.000 0.435 67 T N -3.165 111.359 114.554 -0.050 0.000 2.684 67 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 67 T C 1.944 176.616 174.700 -0.046 0.000 1.036 67 T CA 1.093 63.176 62.100 -0.028 0.000 1.148 67 T CB -1.314 67.583 68.868 0.047 0.000 0.863 67 T HN 0.332 nan 8.240 nan 0.000 0.436 68 G N 0.523 109.317 108.800 -0.009 0.000 2.501 68 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.220 68 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.220 68 G C 1.433 176.312 174.900 -0.034 0.000 1.114 68 G CA 0.681 45.801 45.100 0.034 0.000 0.757 68 G HN 0.546 nan 8.290 nan 0.000 0.559 69 M N -0.262 119.187 119.600 -0.252 0.000 2.541 69 M HA 0.270 4.750 4.480 -0.000 0.000 0.252 69 M C 1.765 177.840 176.300 -0.376 0.000 1.125 69 M CA 1.156 56.085 55.300 -0.619 0.000 1.091 69 M CB 0.423 32.502 32.600 -0.869 0.000 1.420 69 M HN 0.330 nan 8.290 nan 0.000 0.486 70 G N 0.987 109.653 108.800 -0.223 0.000 2.195 70 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.224 70 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.224 70 G C -0.064 174.757 174.900 -0.132 0.000 0.990 70 G CA -0.195 44.812 45.100 -0.156 0.000 0.639 70 G HN 0.348 nan 8.290 nan 0.000 0.514 71 I N 2.304 122.784 120.570 -0.150 0.000 2.710 71 I HA 0.370 4.540 4.170 -0.000 0.000 0.286 71 I C 1.727 177.813 176.117 -0.051 0.000 1.181 71 I CA 1.636 62.883 61.300 -0.090 0.000 1.430 71 I CB 1.443 39.373 38.000 -0.116 0.000 1.367 71 I HN 0.365 nan 8.210 nan 0.000 0.577 72 T N 2.682 117.217 114.554 -0.031 0.000 3.288 72 T HA 0.781 5.131 4.350 -0.000 0.000 0.293 72 T C -0.116 174.570 174.700 -0.023 0.000 1.008 72 T CA 0.040 62.111 62.100 -0.047 0.000 0.929 72 T CB -0.045 68.759 68.868 -0.107 0.000 1.152 72 T HN 0.825 nan 8.240 nan 0.000 0.517 73 A N 1.710 124.572 122.820 0.070 0.000 2.549 73 A HA 0.577 4.897 4.320 -0.000 0.000 0.306 73 A C -0.891 176.842 177.584 0.248 0.000 1.053 73 A CA -1.141 50.997 52.037 0.168 0.000 0.892 73 A CB 0.283 19.434 19.000 0.251 0.000 1.329 73 A HN 0.788 nan 8.150 nan 0.000 0.388 74 I N -0.920 119.796 120.570 0.242 0.000 2.460 74 I HA 0.871 5.041 4.170 -0.000 0.000 0.298 74 I C -0.568 175.749 176.117 0.333 0.000 0.989 74 I CA -0.748 60.707 61.300 0.257 0.000 1.173 74 I CB 1.657 39.745 38.000 0.148 0.000 1.338 74 I HN 0.744 nan 8.210 nan 0.000 0.456 75 W N 9.073 130.438 121.300 0.109 0.000 2.362 75 W HA 0.698 5.358 4.660 -0.000 0.000 0.316 75 W C -1.051 175.469 176.519 0.002 0.000 1.024 75 W CA -1.889 55.511 57.345 0.092 0.000 1.270 75 W CB 0.621 30.169 29.460 0.147 0.000 1.273 75 W HN 0.670 nan 8.180 nan 0.000 0.424 76 I N 2.099 122.817 120.570 0.246 0.000 3.204 76 I HA 0.675 4.845 4.170 -0.000 0.000 0.313 76 I C 0.413 176.517 176.117 -0.021 0.000 1.082 76 I CA -0.974 60.335 61.300 0.016 0.000 1.033 76 I CB 1.173 39.215 38.000 0.071 0.000 1.304 76 I HN 0.147 nan 8.210 nan 0.000 0.536 77 S N 0.705 116.332 115.700 -0.123 0.000 2.593 77 S HA 0.088 4.558 4.470 -0.000 0.000 0.269 77 S C -0.067 174.604 174.600 0.118 0.000 1.334 77 S CA -0.518 57.617 58.200 -0.109 0.000 1.015 77 S CB 0.494 63.593 63.200 -0.168 0.000 0.912 77 S HN 0.558 nan 8.310 nan 0.000 0.541 78 Q N 2.605 122.472 119.800 0.111 0.000 2.264 78 Q HA -0.014 4.325 4.340 -0.000 0.000 0.296 78 Q C -1.396 174.732 176.000 0.213 0.000 1.103 78 Q CA -0.855 55.009 55.803 0.101 0.000 0.967 78 Q CB 0.479 29.244 28.738 0.044 0.000 1.090 78 Q HN 0.420 nan 8.270 nan 0.000 0.379 79 P HA -0.027 nan 4.420 nan 0.000 0.241 79 P C 0.224 177.616 177.300 0.153 0.000 1.191 79 P CA 0.290 63.554 63.100 0.273 0.000 0.771 79 P CB 0.326 31.860 31.700 -0.276 0.000 0.929 80 V N 1.816 121.727 119.914 -0.004 0.000 2.715 80 V HA 0.007 4.127 4.120 -0.000 0.000 0.299 80 V C 1.069 177.144 176.094 -0.032 0.000 1.054 80 V CA -0.442 61.890 62.300 0.052 0.000 1.077 80 V CB 0.170 31.958 31.823 -0.059 0.000 0.972 80 V HN 0.158 nan 8.190 nan 0.000 0.484 81 E N 3.923 124.122 120.200 -0.003 0.000 2.558 81 E HA -0.037 4.313 4.350 -0.000 0.000 0.255 81 E C -0.228 176.247 176.600 -0.208 0.000 0.968 81 E CA -0.008 56.331 56.400 -0.102 0.000 0.939 81 E CB 0.322 29.996 29.700 -0.043 0.000 0.921 81 E HN 0.698 nan 8.360 nan 0.000 0.477 82 N N 2.670 121.188 118.700 -0.303 0.000 2.502 82 N HA 0.358 5.098 4.740 -0.000 0.000 0.280 82 N C -0.500 174.741 175.510 -0.448 0.000 1.223 82 N CA -0.632 52.255 53.050 -0.272 0.000 0.966 82 N CB 0.742 39.112 38.487 -0.194 0.000 1.203 82 N HN 0.502 nan 8.380 nan 0.000 0.565 83 I N -1.358 119.084 120.570 -0.213 0.000 2.696 83 I HA 0.133 4.303 4.170 -0.000 0.000 0.284 83 I C -0.209 175.754 176.117 -0.256 0.000 1.129 83 I CA -0.042 61.139 61.300 -0.197 0.000 1.410 83 I CB 0.374 38.365 38.000 -0.014 0.000 1.399 83 I HN 0.549 nan 8.210 nan 0.000 0.579 84 Y N 2.431 122.754 120.300 0.039 0.000 2.457 84 Y HA 0.212 4.762 4.550 -0.000 0.000 0.263 84 Y C 1.269 177.200 175.900 0.052 0.000 1.164 84 Y CA -0.303 57.821 58.100 0.039 0.000 1.274 84 Y CB -0.319 38.133 38.460 -0.015 0.000 1.097 84 Y HN 0.557 nan 8.280 nan 0.000 0.523 85 S N 0.591 116.372 115.700 0.135 0.000 2.560 85 S HA 0.179 4.649 4.470 -0.000 0.000 0.284 85 S C 0.044 174.699 174.600 0.092 0.000 1.327 85 S CA -0.411 57.819 58.200 0.051 0.000 1.055 85 S CB 1.175 64.316 63.200 -0.098 0.000 0.868 85 S HN -0.030 nan 8.310 nan 0.000 0.506 86 V N 4.781 124.724 119.914 0.049 0.000 2.277 86 V HA 0.285 4.405 4.120 -0.000 0.000 0.269 86 V C -0.038 176.048 176.094 -0.012 0.000 1.036 86 V CA -0.344 62.000 62.300 0.074 0.000 0.821 86 V CB 0.019 31.888 31.823 0.077 0.000 1.052 86 V HN 0.712 nan 8.190 nan 0.000 0.462 87 I N 3.792 124.346 120.570 -0.027 0.000 2.371 87 I HA 0.239 4.408 4.170 -0.000 0.000 0.290 87 I C 0.615 176.661 176.117 -0.120 0.000 1.028 87 I CA -0.022 61.154 61.300 -0.206 0.000 1.345 87 I CB 0.717 38.475 38.000 -0.402 0.000 1.407 87 I HN 0.503 nan 8.210 nan 0.000 0.501 88 N N 5.655 124.278 118.700 -0.129 0.000 3.229 88 N HA 0.168 4.908 4.740 -0.000 0.000 0.275 88 N C -0.927 174.579 175.510 -0.006 0.000 1.225 88 N CA -0.389 52.647 53.050 -0.023 0.000 1.119 88 N CB 0.009 38.499 38.487 0.005 0.000 1.392 88 N HN 0.364 nan 8.380 nan 0.000 0.520 89 Y N 1.590 121.965 120.300 0.125 0.000 2.783 89 Y HA -0.048 4.502 4.550 -0.000 0.000 0.359 89 Y C 0.689 176.629 175.900 0.067 0.000 1.220 89 Y CA -0.140 58.024 58.100 0.106 0.000 1.649 89 Y CB -0.245 38.279 38.460 0.107 0.000 1.273 89 Y HN 0.314 nan 8.280 nan 0.000 0.506 90 S N 2.588 118.391 115.700 0.172 0.000 3.267 90 S HA -0.190 4.280 4.470 -0.000 0.000 0.389 90 S C 1.271 175.923 174.600 0.086 0.000 0.863 90 S CA 0.661 58.924 58.200 0.106 0.000 1.354 90 S CB -1.358 61.900 63.200 0.097 0.000 1.008 90 S HN 1.402 nan 8.310 nan 0.000 0.602 91 G N 0.217 109.056 108.800 0.066 0.000 2.708 91 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.229 91 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.229 91 G C 0.202 175.140 174.900 0.062 0.000 1.236 91 G CA 0.024 45.156 45.100 0.054 0.000 0.749 91 G HN 1.652 nan 8.290 nan 0.000 0.515 92 V N 1.975 121.942 119.914 0.088 0.000 2.406 92 V HA 0.417 4.537 4.120 -0.000 0.000 0.272 92 V C 0.575 176.741 176.094 0.119 0.000 1.043 92 V CA -0.532 61.825 62.300 0.096 0.000 0.915 92 V CB 1.112 32.999 31.823 0.106 0.000 0.988 92 V HN 0.468 nan 8.190 nan 0.000 0.466 93 N N 3.954 122.709 118.700 0.093 0.000 2.508 93 N HA 0.294 5.034 4.740 -0.000 0.000 0.264 93 N C -0.404 175.195 175.510 0.149 0.000 1.216 93 N CA -0.103 53.006 53.050 0.098 0.000 0.943 93 N CB 0.484 39.015 38.487 0.073 0.000 1.113 93 N HN 0.732 nan 8.380 nan 0.000 0.447 94 N N -0.168 118.650 118.700 0.196 0.000 2.264 94 N HA 0.368 5.108 4.740 -0.000 0.000 0.288 94 N C -1.307 174.377 175.510 0.291 0.000 1.094 94 N CA -0.454 52.769 53.050 0.288 0.000 0.817 94 N CB 2.156 40.946 38.487 0.506 0.000 1.604 94 N HN 0.553 nan 8.380 nan 0.000 0.473 95 T N -2.642 112.023 114.554 0.185 0.000 2.864 95 T HA 0.583 4.933 4.350 -0.000 0.000 0.289 95 T C 0.192 174.621 174.700 -0.453 0.000 1.082 95 T CA -0.739 61.409 62.100 0.079 0.000 1.009 95 T CB 1.629 70.548 68.868 0.084 0.000 1.234 95 T HN 0.367 nan 8.240 nan 0.000 0.526 96 A N 0.546 123.054 122.820 -0.521 0.000 2.543 96 A HA 0.306 4.626 4.320 -0.000 0.000 0.258 96 A C 1.178 178.034 177.584 -1.214 0.000 1.391 96 A CA -0.356 51.019 52.037 -1.103 0.000 1.066 96 A CB -1.686 17.115 19.000 -0.332 0.000 0.972 96 A HN 0.940 nan 8.150 nan 0.000 0.560 97 Y N -0.283 119.250 120.300 -1.277 0.000 2.333 97 Y HA -0.272 4.277 4.550 -0.000 0.000 0.290 97 Y C 1.745 177.397 175.900 -0.413 0.000 1.144 97 Y CA 1.618 59.087 58.100 -1.051 0.000 1.228 97 Y CB -1.049 36.957 38.460 -0.758 0.000 0.985 97 Y HN 0.643 nan 8.280 nan 0.000 0.542 98 H N -1.316 117.110 119.070 -1.074 0.000 2.547 98 H HA 0.356 4.912 4.556 -0.000 0.000 0.266 98 H C 2.008 177.137 175.328 -0.333 0.000 0.988 98 H CA -0.335 55.343 56.048 -0.616 0.000 1.147 98 H CB -0.598 28.710 29.762 -0.756 0.000 1.365 98 H HN 0.430 nan 8.280 nan 0.000 0.589 99 G N 0.704 109.392 108.800 -0.187 0.000 2.220 99 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.269 99 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.269 99 G C 0.747 175.651 174.900 0.007 0.000 0.977 99 G CA 0.540 45.614 45.100 -0.042 0.000 0.634 99 G HN 0.368 nan 8.290 nan 0.000 0.539 100 L N -0.500 120.778 121.223 0.090 0.000 2.660 100 L HA 0.344 4.684 4.340 -0.000 0.000 0.238 100 L C 0.250 177.330 176.870 0.350 0.000 1.161 100 L CA -0.089 54.816 54.840 0.109 0.000 0.937 100 L CB -1.191 40.854 42.059 -0.024 0.000 1.122 100 L HN 0.441 nan 8.230 nan 0.000 0.435 101 W N 0.863 122.235 121.300 0.121 0.000 1.950 101 W HA 0.584 5.244 4.660 -0.000 0.000 0.289 101 W C 0.504 176.992 176.519 -0.052 0.000 0.883 101 W CA -1.932 55.455 57.345 0.070 0.000 2.031 101 W CB -0.246 29.243 29.460 0.049 0.000 2.266 101 W HN -0.026 nan 8.180 nan 0.000 0.400 102 A N 1.625 124.497 122.820 0.086 0.000 2.555 102 A HA 0.218 4.538 4.320 -0.000 0.000 0.233 102 A C 1.400 178.889 177.584 -0.160 0.000 1.060 102 A CA 0.734 52.618 52.037 -0.256 0.000 0.759 102 A CB 0.679 19.177 19.000 -0.837 0.000 0.995 102 A HN 0.616 nan 8.150 nan 0.000 0.506 103 R N -0.679 119.702 120.500 -0.197 0.000 2.492 103 R HA 0.115 4.455 4.340 -0.000 0.000 0.219 103 R C -1.014 175.351 176.300 0.108 0.000 0.886 103 R CA 0.408 56.509 56.100 0.001 0.000 1.003 103 R CB 0.736 31.009 30.300 -0.045 0.000 1.345 103 R HN 0.821 nan 8.270 nan 0.000 0.631 104 D N -0.613 119.777 120.400 -0.017 0.000 2.333 104 D HA 0.067 4.707 4.640 -0.000 0.000 0.225 104 D C -0.434 175.956 176.300 0.149 0.000 1.345 104 D CA -0.373 53.743 54.000 0.194 0.000 0.971 104 D CB 0.364 41.279 40.800 0.193 0.000 1.451 104 D HN -0.059 nan 8.370 nan 0.000 0.561 105 F N 1.628 121.797 119.950 0.365 0.000 2.722 105 F HA 0.059 4.586 4.527 -0.000 0.000 0.298 105 F C 2.133 178.178 175.800 0.408 0.000 1.175 105 F CA 0.663 58.865 58.000 0.337 0.000 1.462 105 F CB 0.293 39.415 39.000 0.202 0.000 1.111 105 F HN 0.101 nan 8.300 nan 0.000 0.592 106 K N -0.146 120.490 120.400 0.393 0.000 2.374 106 K HA 0.200 4.520 4.320 -0.000 0.000 0.202 106 K C 0.186 176.857 176.600 0.119 0.000 1.040 106 K CA 0.163 56.560 56.287 0.183 0.000 1.085 106 K CB 0.780 33.362 32.500 0.137 0.000 0.873 106 K HN 0.186 nan 8.250 nan 0.000 0.539 107 K N 1.108 121.646 120.400 0.229 0.000 2.435 107 K HA 0.209 4.529 4.320 -0.000 0.000 0.251 107 K C -0.300 176.476 176.600 0.293 0.000 0.954 107 K CA -0.539 55.859 56.287 0.185 0.000 0.820 107 K CB 2.099 34.677 32.500 0.130 0.000 1.292 107 K HN -0.042 nan 8.250 nan 0.000 0.436 108 T N -1.167 113.563 114.554 0.294 0.000 2.849 108 T HA 0.146 4.496 4.350 -0.000 0.000 0.284 108 T C 0.271 175.065 174.700 0.157 0.000 1.004 108 T CA -0.771 61.547 62.100 0.363 0.000 1.021 108 T CB 0.683 69.863 68.868 0.521 0.000 1.013 108 T HN 0.439 nan 8.240 nan 0.000 0.527 109 N N 2.041 120.773 118.700 0.052 0.000 2.401 109 N HA 0.229 4.969 4.740 -0.000 0.000 0.255 109 N C -1.835 173.563 175.510 -0.186 0.000 1.110 109 N CA -2.284 50.662 53.050 -0.174 0.000 0.949 109 N CB 0.947 39.149 38.487 -0.475 0.000 1.110 109 N HN 0.259 nan 8.380 nan 0.000 0.490 110 P HA -0.197 nan 4.420 nan 0.000 0.218 110 P C 0.810 178.024 177.300 -0.144 0.000 1.154 110 P CA 1.923 64.986 63.100 -0.061 0.000 0.872 110 P CB 0.164 31.868 31.700 0.006 0.000 0.790 111 A N -1.841 120.847 122.820 -0.219 0.000 1.978 111 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 111 A C 1.910 179.431 177.584 -0.103 0.000 1.170 111 A CA 1.560 53.467 52.037 -0.217 0.000 0.636 111 A CB -1.727 17.041 19.000 -0.386 0.000 0.810 111 A HN 0.151 nan 8.150 nan 0.000 0.448 112 Y N -0.902 119.137 120.300 -0.436 0.000 2.395 112 Y HA 0.351 4.900 4.550 -0.000 0.000 0.293 112 Y C 1.582 176.836 175.900 -1.077 0.000 1.123 112 Y CA 0.218 57.778 58.100 -0.899 0.000 1.227 112 Y CB -0.658 36.982 38.460 -1.366 0.000 1.012 112 Y HN 0.467 nan 8.280 nan 0.000 0.552 113 G N -1.005 107.488 108.800 -0.512 0.000 2.368 113 G HA2 0.253 4.213 3.960 -0.000 0.000 0.302 113 G HA3 0.253 4.213 3.960 -0.000 0.000 0.302 113 G C -0.570 174.434 174.900 0.175 0.000 1.329 113 G CA -0.505 44.560 45.100 -0.057 0.000 0.935 113 G HN 0.209 nan 8.290 nan 0.000 0.590 114 T N -2.510 112.253 114.554 0.348 0.000 2.893 114 T HA 0.525 4.875 4.350 -0.000 0.000 0.279 114 T C 1.644 176.625 174.700 0.468 0.000 0.991 114 T CA 0.488 62.786 62.100 0.330 0.000 0.950 114 T CB 1.352 70.341 68.868 0.201 0.000 1.223 114 T HN 0.738 nan 8.240 nan 0.000 0.585 115 M N 0.303 120.095 119.600 0.320 0.000 2.202 115 M HA -0.008 4.472 4.480 -0.000 0.000 0.262 115 M C 2.296 178.764 176.300 0.279 0.000 1.063 115 M CA 1.737 57.208 55.300 0.285 0.000 1.097 115 M CB -1.224 31.468 32.600 0.155 0.000 1.382 115 M HN 0.858 nan 8.290 nan 0.000 0.413 116 Q N -0.176 119.760 119.800 0.226 0.000 2.123 116 Q HA -0.132 4.208 4.340 -0.000 0.000 0.199 116 Q C 1.394 177.518 176.000 0.206 0.000 0.966 116 Q CA 1.926 57.835 55.803 0.177 0.000 0.845 116 Q CB -0.263 28.555 28.738 0.132 0.000 0.907 116 Q HN 0.464 nan 8.270 nan 0.000 0.439 117 D N -0.640 119.938 120.400 0.297 0.000 2.178 117 D HA -0.126 4.513 4.640 -0.000 0.000 0.201 117 D C 1.211 177.714 176.300 0.338 0.000 0.980 117 D CA 0.772 54.986 54.000 0.356 0.000 0.842 117 D CB -0.193 40.913 40.800 0.511 0.000 0.948 117 D HN 0.314 nan 8.370 nan 0.000 0.472 118 F N 1.315 121.362 119.950 0.163 0.000 2.163 118 F HA -0.075 4.452 4.527 -0.000 0.000 0.297 118 F C 2.031 177.773 175.800 -0.098 0.000 1.094 118 F CA 1.073 58.979 58.000 -0.157 0.000 1.290 118 F CB 0.237 39.144 39.000 -0.154 0.000 1.017 118 F HN -0.184 nan 8.300 nan 0.000 0.483 119 K N -0.014 120.407 120.400 0.036 0.000 2.057 119 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 119 K C 1.760 178.294 176.600 -0.110 0.000 1.049 119 K CA 1.343 57.603 56.287 -0.045 0.000 0.931 119 K CB -0.431 32.095 32.500 0.042 0.000 0.714 119 K HN 0.221 nan 8.250 nan 0.000 0.440 120 N N 1.506 120.182 118.700 -0.040 0.000 2.094 120 N HA -0.190 4.550 4.740 -0.000 0.000 0.191 120 N C 1.818 177.266 175.510 -0.103 0.000 1.023 120 N CA 1.020 54.052 53.050 -0.031 0.000 0.857 120 N CB -0.339 38.169 38.487 0.036 0.000 1.013 120 N HN 0.078 nan 8.380 nan 0.000 0.426 121 L N 1.010 122.122 121.223 -0.184 0.000 2.017 121 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 121 L C 1.911 178.551 176.870 -0.383 0.000 1.073 121 L CA 1.311 55.984 54.840 -0.278 0.000 0.745 121 L CB -0.436 41.358 42.059 -0.442 0.000 0.894 121 L HN 0.056 nan 8.230 nan 0.000 0.432 122 I N -0.159 120.092 120.570 -0.532 0.000 2.286 122 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 122 I C 1.999 177.761 176.117 -0.592 0.000 1.115 122 I CA 1.262 62.185 61.300 -0.629 0.000 1.392 122 I CB -1.419 36.246 38.000 -0.558 0.000 1.065 122 I HN 0.357 nan 8.210 nan 0.000 0.418 123 D N 0.245 120.462 120.400 -0.304 0.000 2.194 123 D HA -0.075 4.565 4.640 -0.000 0.000 0.204 123 D C 2.121 178.395 176.300 -0.044 0.000 0.964 123 D CA 1.148 55.063 54.000 -0.142 0.000 0.846 123 D CB 0.019 40.783 40.800 -0.060 0.000 0.962 123 D HN 0.265 nan 8.370 nan 0.000 0.490 124 T N 0.712 115.237 114.554 -0.049 0.000 2.857 124 T HA -0.003 4.347 4.350 -0.000 0.000 0.266 124 T C 2.017 176.763 174.700 0.078 0.000 1.048 124 T CA 1.060 63.187 62.100 0.044 0.000 1.139 124 T CB 0.002 68.856 68.868 -0.023 0.000 0.874 124 T HN 0.140 nan 8.240 nan 0.000 0.455 125 A N 1.685 124.481 122.820 -0.041 0.000 1.841 125 A HA -0.156 4.164 4.320 -0.000 0.000 0.214 125 A C 2.086 179.764 177.584 0.156 0.000 1.195 125 A CA 1.509 53.552 52.037 0.009 0.000 0.611 125 A CB -0.913 18.038 19.000 -0.081 0.000 0.835 125 A HN 0.448 nan 8.150 nan 0.000 0.443 126 H N -0.032 119.047 119.070 0.016 0.000 2.352 126 H HA -0.002 4.554 4.556 -0.000 0.000 0.299 126 H C 2.398 177.736 175.328 0.017 0.000 1.097 126 H CA 1.137 57.188 56.048 0.005 0.000 1.311 126 H CB -0.872 28.882 29.762 -0.013 0.000 1.377 126 H HN 0.489 nan 8.280 nan 0.000 0.504 127 A N 0.293 123.212 122.820 0.167 0.000 2.125 127 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 127 A C 1.059 178.605 177.584 -0.063 0.000 1.156 127 A CA 1.481 53.550 52.037 0.053 0.000 0.671 127 A CB -0.483 18.547 19.000 0.049 0.000 0.794 127 A HN 0.479 nan 8.150 nan 0.000 0.459 128 H N -1.010 118.076 119.070 0.025 0.000 2.592 128 H HA 0.250 4.806 4.556 -0.000 0.000 0.279 128 H C 0.069 175.398 175.328 0.003 0.000 1.089 128 H CA -0.147 55.907 56.048 0.011 0.000 1.150 128 H CB -0.222 29.548 29.762 0.013 0.000 1.575 128 H HN 0.571 nan 8.280 nan 0.000 0.547 129 N N 0.973 119.724 118.700 0.084 0.000 2.740 129 N HA -0.176 4.564 4.740 -0.000 0.000 0.248 129 N C -0.889 174.633 175.510 0.020 0.000 1.062 129 N CA 0.286 53.349 53.050 0.021 0.000 0.704 129 N CB -0.823 37.645 38.487 -0.031 0.000 0.968 129 N HN 0.381 nan 8.380 nan 0.000 0.547 130 I N 0.879 121.500 120.570 0.085 0.000 2.474 130 I HA 0.269 4.438 4.170 -0.000 0.000 0.294 130 I C 0.219 176.414 176.117 0.130 0.000 1.005 130 I CA -0.607 60.735 61.300 0.069 0.000 1.113 130 I CB 1.771 39.815 38.000 0.072 0.000 1.289 130 I HN -0.080 nan 8.210 nan 0.000 0.436 131 K N 4.615 125.062 120.400 0.079 0.000 2.110 131 K HA 0.611 4.931 4.320 -0.000 0.000 0.263 131 K C -1.041 175.696 176.600 0.229 0.000 0.975 131 K CA -0.695 55.682 56.287 0.150 0.000 0.895 131 K CB 2.190 34.682 32.500 -0.013 0.000 1.060 131 K HN 0.269 nan 8.250 nan 0.000 0.448 132 V N 4.075 124.143 119.914 0.257 0.000 2.398 132 V HA 0.408 4.527 4.120 -0.000 0.000 0.286 132 V C -0.145 176.096 176.094 0.245 0.000 1.026 132 V CA -0.787 61.625 62.300 0.188 0.000 0.868 132 V CB 0.935 32.769 31.823 0.018 0.000 0.982 132 V HN 0.610 nan 8.190 nan 0.000 0.443 133 I N 5.744 126.467 120.570 0.256 0.000 2.493 133 I HA 0.602 4.772 4.170 -0.000 0.000 0.298 133 I C -0.180 176.052 176.117 0.193 0.000 0.998 133 I CA -0.609 60.810 61.300 0.198 0.000 1.137 133 I CB 1.900 39.999 38.000 0.166 0.000 1.310 133 I HN 0.626 nan 8.210 nan 0.000 0.445 134 I N 0.279 120.917 120.570 0.112 0.000 3.023 134 I HA 0.653 4.823 4.170 -0.000 0.000 0.312 134 I C -1.075 175.085 176.117 0.071 0.000 1.056 134 I CA -0.905 60.463 61.300 0.114 0.000 1.033 134 I CB 1.703 39.723 38.000 0.034 0.000 1.233 134 I HN 0.263 nan 8.210 nan 0.000 0.462 135 D N 1.650 122.116 120.400 0.111 0.000 2.229 135 D HA 0.551 5.191 4.640 -0.000 0.000 0.249 135 D C -1.533 174.873 176.300 0.177 0.000 1.027 135 D CA 0.254 54.319 54.000 0.109 0.000 0.923 135 D CB 1.936 42.796 40.800 0.101 0.000 1.174 135 D HN 0.501 nan 8.370 nan 0.000 0.443 136 F N 0.546 120.488 119.950 -0.013 0.000 2.607 136 F HA 0.491 5.018 4.527 -0.000 0.000 0.322 136 F C -1.045 174.797 175.800 0.070 0.000 1.176 136 F CA -0.677 57.354 58.000 0.051 0.000 0.977 136 F CB 1.490 40.534 39.000 0.073 0.000 1.242 136 F HN 0.351 nan 8.300 nan 0.000 0.465 137 A N 7.210 129.923 122.820 -0.178 0.000 2.938 137 A HA 0.444 4.764 4.320 -0.000 0.000 0.344 137 A C -2.318 175.095 177.584 -0.285 0.000 1.142 137 A CA -1.187 50.749 52.037 -0.167 0.000 0.841 137 A CB -0.252 18.671 19.000 -0.130 0.000 1.083 137 A HN 0.466 nan 8.150 nan 0.000 0.479 138 P HA -0.052 nan 4.420 nan 0.000 0.249 138 P C 0.520 177.718 177.300 -0.169 0.000 1.241 138 P CA 0.603 63.481 63.100 -0.370 0.000 0.781 138 P CB 0.009 31.515 31.700 -0.323 0.000 1.088 139 N N 0.783 119.370 118.700 -0.188 0.000 2.412 139 N HA -0.071 4.668 4.740 -0.000 0.000 0.184 139 N C 0.545 176.037 175.510 -0.030 0.000 1.101 139 N CA 0.002 53.014 53.050 -0.064 0.000 0.881 139 N CB -0.034 38.453 38.487 -0.001 0.000 0.969 139 N HN 0.317 nan 8.380 nan 0.000 0.459 140 H N -5.429 113.692 119.070 0.084 0.000 2.838 140 H HA 0.142 4.698 4.556 -0.000 0.000 0.269 140 H C -0.536 174.904 175.328 0.186 0.000 1.463 140 H CA -0.154 55.949 56.048 0.093 0.000 1.141 140 H CB 0.307 30.099 29.762 0.050 0.000 1.821 140 H HN 0.024 nan 8.280 nan 0.000 0.544 141 T N -0.634 114.170 114.554 0.416 0.000 3.556 141 T HA 0.414 4.764 4.350 -0.000 0.000 0.204 141 T C 0.569 175.418 174.700 0.249 0.000 0.896 141 T CA 0.758 63.049 62.100 0.318 0.000 1.380 141 T CB -0.379 68.646 68.868 0.262 0.000 1.584 141 T HN 0.865 nan 8.240 nan 0.000 0.411 142 S N 0.677 116.375 115.700 -0.004 0.000 2.671 142 S HA 0.663 5.133 4.470 -0.000 0.000 0.277 142 S C -3.338 170.998 174.600 -0.441 0.000 1.165 142 S CA -1.580 56.458 58.200 -0.269 0.000 0.822 142 S CB 0.990 64.070 63.200 -0.199 0.000 1.150 142 S HN 0.230 nan 8.310 nan 0.000 0.479 143 P HA 0.419 nan 4.420 nan 0.000 0.262 143 P C -1.054 176.109 177.300 -0.229 0.000 1.182 143 P CA 0.460 63.327 63.100 -0.389 0.000 0.761 143 P CB 0.278 31.715 31.700 -0.438 0.000 0.795 144 A N 2.464 125.200 122.820 -0.141 0.000 2.572 144 A HA 0.721 5.041 4.320 -0.000 0.000 0.295 144 A C -0.953 176.642 177.584 0.018 0.000 1.072 144 A CA -0.468 51.513 52.037 -0.095 0.000 0.691 144 A CB 1.674 20.425 19.000 -0.414 0.000 1.291 144 A HN 0.324 nan 8.150 nan 0.000 0.404 145 S N -0.284 115.518 115.700 0.169 0.000 2.614 145 S HA 0.509 4.979 4.470 -0.000 0.000 0.288 145 S C 0.871 175.580 174.600 0.182 0.000 1.137 145 S CA 0.180 58.449 58.200 0.115 0.000 0.992 145 S CB 1.303 64.481 63.200 -0.037 0.000 1.026 145 S HN 1.537 nan 8.310 nan 0.000 0.486 146 S N 3.041 118.852 115.700 0.184 0.000 2.458 146 S HA 0.020 4.490 4.470 -0.000 0.000 0.223 146 S C 1.074 175.661 174.600 -0.021 0.000 1.019 146 S CA 0.415 58.627 58.200 0.021 0.000 0.937 146 S CB -0.276 62.816 63.200 -0.180 0.000 0.788 146 S HN 0.675 nan 8.310 nan 0.000 0.511 147 D N 2.200 122.592 120.400 -0.014 0.000 2.117 147 D HA -0.002 4.638 4.640 -0.000 0.000 0.198 147 D C 0.136 176.422 176.300 -0.023 0.000 0.982 147 D CA 1.255 55.235 54.000 -0.033 0.000 0.828 147 D CB -0.221 40.555 40.800 -0.040 0.000 0.967 147 D HN 0.464 nan 8.370 nan 0.000 0.464 148 D N -0.410 119.986 120.400 -0.007 0.000 2.458 148 D HA 0.126 4.766 4.640 -0.000 0.000 0.258 148 D C -2.010 174.323 176.300 0.055 0.000 1.134 148 D CA -2.082 51.925 54.000 0.013 0.000 0.915 148 D CB 1.435 42.236 40.800 0.002 0.000 1.028 148 D HN -0.064 nan 8.370 nan 0.000 0.508 149 P HA -0.057 nan 4.420 nan 0.000 0.236 149 P C 0.593 177.920 177.300 0.046 0.000 1.172 149 P CA 0.392 63.515 63.100 0.038 0.000 0.759 149 P CB 0.331 32.036 31.700 0.009 0.000 0.843 150 S N -1.152 114.584 115.700 0.060 0.000 2.558 150 S HA 0.069 4.538 4.470 -0.000 0.000 0.217 150 S C 0.441 175.085 174.600 0.075 0.000 0.975 150 S CA -0.353 57.877 58.200 0.051 0.000 0.912 150 S CB -0.593 62.632 63.200 0.043 0.000 0.776 150 S HN 0.169 nan 8.310 nan 0.000 0.526 151 F N 2.655 122.570 119.950 -0.058 0.000 2.427 151 F HA 0.510 5.036 4.527 -0.000 0.000 0.352 151 F C 0.987 176.725 175.800 -0.103 0.000 1.100 151 F CA -0.048 57.898 58.000 -0.089 0.000 1.191 151 F CB 0.152 39.094 39.000 -0.097 0.000 1.128 151 F HN 0.289 nan 8.300 nan 0.000 0.533 152 A N 4.513 126.824 122.820 -0.849 0.000 5.483 152 A HA -0.408 3.911 4.320 -0.000 0.000 0.309 152 A C 0.994 178.411 177.584 -0.277 0.000 1.898 152 A CA 1.488 53.132 52.037 -0.655 0.000 0.716 152 A CB -1.489 17.029 19.000 -0.805 0.000 1.309 152 A HN 0.856 nan 8.150 nan 0.000 0.380 153 E N 0.741 120.822 120.200 -0.198 0.000 2.499 153 E HA 0.247 4.597 4.350 -0.000 0.000 0.199 153 E C 0.491 177.063 176.600 -0.047 0.000 1.016 153 E CA 0.581 56.944 56.400 -0.061 0.000 0.933 153 E CB -0.198 29.504 29.700 0.004 0.000 1.050 153 E HN 0.687 nan 8.360 nan 0.000 0.462 154 N N 0.115 118.768 118.700 -0.078 0.000 2.735 154 N HA -0.238 4.502 4.740 -0.000 0.000 0.248 154 N C 0.583 176.031 175.510 -0.103 0.000 1.083 154 N CA 0.362 53.388 53.050 -0.040 0.000 0.703 154 N CB -1.053 37.431 38.487 -0.005 0.000 1.005 154 N HN 0.486 nan 8.380 nan 0.000 0.550 155 G N 0.187 108.890 108.800 -0.161 0.000 2.269 155 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.277 155 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.277 155 G C 0.382 175.226 174.900 -0.094 0.000 1.008 155 G CA 0.994 45.965 45.100 -0.215 0.000 0.774 155 G HN 0.685 nan 8.290 nan 0.000 0.511 156 R N -1.370 119.119 120.500 -0.018 0.000 2.861 156 R HA 0.433 4.772 4.340 -0.000 0.000 0.268 156 R C 0.020 176.358 176.300 0.064 0.000 1.027 156 R CA 0.130 56.232 56.100 0.002 0.000 1.163 156 R CB 0.377 30.633 30.300 -0.073 0.000 1.060 156 R HN 0.386 nan 8.270 nan 0.000 0.483 157 L N 1.898 123.072 121.223 -0.080 0.000 2.470 157 L HA 0.366 4.706 4.340 -0.000 0.000 0.268 157 L C -1.754 174.981 176.870 -0.225 0.000 0.964 157 L CA -0.373 54.463 54.840 -0.008 0.000 0.839 157 L CB 1.447 43.522 42.059 0.027 0.000 1.276 157 L HN 0.455 nan 8.230 nan 0.000 0.403 158 Y N 1.800 122.128 120.300 0.046 0.000 2.487 158 Y HA 0.534 5.084 4.550 -0.000 0.000 0.337 158 Y C -0.407 175.555 175.900 0.103 0.000 1.076 158 Y CA -0.736 57.395 58.100 0.051 0.000 1.115 158 Y CB 1.737 40.246 38.460 0.083 0.000 1.235 158 Y HN 0.564 nan 8.280 nan 0.000 0.468 159 D N 2.335 122.883 120.400 0.248 0.000 2.472 159 D HA 0.118 4.758 4.640 -0.000 0.000 0.234 159 D C 0.138 176.623 176.300 0.309 0.000 1.088 159 D CA -0.071 54.153 54.000 0.373 0.000 0.882 159 D CB -0.089 40.860 40.800 0.249 0.000 1.037 159 D HN 0.609 nan 8.370 nan 0.000 0.520 160 N N 3.260 122.147 118.700 0.311 0.000 2.693 160 N HA -0.265 4.475 4.740 -0.000 0.000 0.249 160 N C 0.817 176.420 175.510 0.156 0.000 1.119 160 N CA 1.633 54.800 53.050 0.195 0.000 0.717 160 N CB -0.896 37.680 38.487 0.148 0.000 1.071 160 N HN 0.825 nan 8.380 nan 0.000 0.555 161 G N -1.357 107.558 108.800 0.192 0.000 2.617 161 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.197 161 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.197 161 G C -0.037 175.009 174.900 0.244 0.000 1.017 161 G CA 0.094 45.286 45.100 0.152 0.000 0.713 161 G HN 0.474 nan 8.290 nan 0.000 0.481 162 N N 1.023 119.857 118.700 0.224 0.000 2.520 162 N HA 0.548 5.288 4.740 -0.000 0.000 0.273 162 N C -0.067 175.553 175.510 0.183 0.000 1.155 162 N CA -0.288 52.871 53.050 0.183 0.000 0.967 162 N CB 1.338 39.891 38.487 0.109 0.000 1.092 162 N HN 0.278 nan 8.380 nan 0.000 0.457 163 L N 3.866 125.140 121.223 0.085 0.000 2.331 163 L HA 0.188 4.528 4.340 -0.000 0.000 0.278 163 L C 0.503 177.273 176.870 -0.168 0.000 1.106 163 L CA -0.201 54.508 54.840 -0.218 0.000 0.824 163 L CB 0.706 42.627 42.059 -0.229 0.000 1.142 163 L HN 0.703 nan 8.230 nan 0.000 0.443 164 L N 4.208 125.290 121.223 -0.236 0.000 2.316 164 L HA 0.371 4.711 4.340 -0.000 0.000 0.207 164 L C 0.856 177.649 176.870 -0.130 0.000 1.070 164 L CA 0.522 55.258 54.840 -0.173 0.000 0.820 164 L CB 0.065 41.978 42.059 -0.243 0.000 0.992 164 L HN 0.803 nan 8.230 nan 0.000 0.466 165 G N -1.183 107.541 108.800 -0.127 0.000 2.336 165 G HA2 0.397 4.357 3.960 -0.000 0.000 0.300 165 G HA3 0.397 4.357 3.960 -0.000 0.000 0.300 165 G C -1.387 173.564 174.900 0.086 0.000 1.375 165 G CA -0.241 44.848 45.100 -0.018 0.000 0.885 165 G HN 0.168 nan 8.290 nan 0.000 0.599 166 G N -2.016 106.852 108.800 0.114 0.000 3.042 166 G HA2 0.523 4.483 3.960 -0.000 0.000 0.278 166 G HA3 0.523 4.483 3.960 -0.000 0.000 0.278 166 G C 0.162 175.054 174.900 -0.013 0.000 1.371 166 G CA -0.267 44.866 45.100 0.056 0.000 1.009 166 G HN 0.731 nan 8.290 nan 0.000 0.523 167 Y N 0.079 120.127 120.300 -0.420 0.000 2.439 167 Y HA 0.151 4.701 4.550 -0.000 0.000 0.292 167 Y C 1.575 177.420 175.900 -0.092 0.000 1.130 167 Y CA 1.012 58.840 58.100 -0.454 0.000 1.254 167 Y CB 0.114 38.265 38.460 -0.515 0.000 1.000 167 Y HN 0.271 nan 8.280 nan 0.000 0.554 168 T N 1.496 115.996 114.554 -0.089 0.000 2.875 168 T HA 0.129 4.479 4.350 -0.000 0.000 0.284 168 T C -0.164 174.481 174.700 -0.091 0.000 0.995 168 T CA -0.635 61.397 62.100 -0.114 0.000 1.060 168 T CB 0.633 69.466 68.868 -0.058 0.000 0.967 168 T HN 0.274 nan 8.240 nan 0.000 0.476 169 N N 2.223 120.848 118.700 -0.124 0.000 2.726 169 N HA -0.159 4.580 4.740 -0.000 0.000 0.253 169 N C -1.217 174.254 175.510 -0.065 0.000 1.059 169 N CA 0.103 53.095 53.050 -0.097 0.000 0.701 169 N CB -0.323 38.126 38.487 -0.063 0.000 0.899 169 N HN 0.621 nan 8.380 nan 0.000 0.548 170 D N 0.284 120.632 120.400 -0.087 0.000 2.564 170 D HA 0.191 4.831 4.640 -0.000 0.000 0.226 170 D C 1.592 177.865 176.300 -0.045 0.000 1.149 170 D CA -0.033 53.972 54.000 0.008 0.000 0.994 170 D CB 0.378 41.272 40.800 0.157 0.000 1.029 170 D HN 0.387 nan 8.370 nan 0.000 0.517 171 T N -0.574 113.953 114.554 -0.044 0.000 2.942 171 T HA -0.123 4.227 4.350 -0.000 0.000 0.265 171 T C 1.534 176.212 174.700 -0.037 0.000 1.062 171 T CA 0.485 62.554 62.100 -0.052 0.000 1.139 171 T CB 0.042 68.882 68.868 -0.047 0.000 0.883 171 T HN 0.185 nan 8.240 nan 0.000 0.468 172 Q N 1.147 120.930 119.800 -0.028 0.000 2.482 172 Q HA 0.053 4.393 4.340 -0.000 0.000 0.209 172 Q C 0.124 176.099 176.000 -0.042 0.000 0.961 172 Q CA -0.036 55.746 55.803 -0.035 0.000 0.945 172 Q CB -0.379 28.331 28.738 -0.047 0.000 1.012 172 Q HN 0.559 nan 8.270 nan 0.000 0.515 173 N N 0.637 119.327 118.700 -0.017 0.000 2.688 173 N HA -0.209 4.531 4.740 -0.000 0.000 0.258 173 N C 0.392 175.849 175.510 -0.089 0.000 1.016 173 N CA 0.193 53.243 53.050 0.001 0.000 0.747 173 N CB -0.900 37.586 38.487 -0.001 0.000 0.895 173 N HN 0.327 nan 8.380 nan 0.000 0.543 174 L N -1.345 119.773 121.223 -0.176 0.000 2.313 174 L HA 0.105 4.444 4.340 -0.000 0.000 0.214 174 L C 0.705 177.090 176.870 -0.808 0.000 1.119 174 L CA 0.960 55.481 54.840 -0.532 0.000 0.809 174 L CB -0.070 41.532 42.059 -0.761 0.000 0.933 174 L HN 0.112 nan 8.230 nan 0.000 0.449 175 F N -2.650 117.215 119.950 -0.142 0.000 2.661 175 F HA 0.482 5.009 4.527 -0.000 0.000 0.347 175 F C 0.314 175.929 175.800 -0.309 0.000 1.086 175 F CA -1.078 56.776 58.000 -0.244 0.000 1.016 175 F CB 0.671 39.637 39.000 -0.057 0.000 1.368 175 F HN -0.235 nan 8.300 nan 0.000 0.505 176 H N -0.671 118.379 119.070 -0.033 0.000 2.463 176 H HA 0.385 4.941 4.556 -0.000 0.000 0.332 176 H C -1.092 173.970 175.328 -0.443 0.000 1.127 176 H CA -0.725 55.231 56.048 -0.154 0.000 1.238 176 H CB 0.958 30.778 29.762 0.096 0.000 1.478 176 H HN 0.504 nan 8.280 nan 0.000 0.499 177 H N 3.238 122.114 119.070 -0.324 0.000 2.448 177 H HA 0.178 4.734 4.556 -0.000 0.000 0.237 177 H C -0.650 174.350 175.328 -0.547 0.000 1.391 177 H CA -0.056 55.801 56.048 -0.319 0.000 1.477 177 H CB 0.058 29.610 29.762 -0.350 0.000 1.520 177 H HN 0.526 nan 8.280 nan 0.000 0.502 178 Y N 0.341 120.693 120.300 0.087 0.000 2.717 178 Y HA 0.388 4.938 4.550 -0.000 0.000 0.250 178 Y C 1.406 177.302 175.900 -0.008 0.000 1.149 178 Y CA 0.121 58.226 58.100 0.009 0.000 1.211 178 Y CB 0.933 39.368 38.460 -0.040 0.000 1.289 178 Y HN 0.782 nan 8.280 nan 0.000 0.552 179 G N 0.188 109.054 108.800 0.110 0.000 2.587 179 G HA2 0.103 4.063 3.960 -0.000 0.000 0.212 179 G HA3 0.103 4.063 3.960 -0.000 0.000 0.212 179 G C 0.080 174.989 174.900 0.015 0.000 1.327 179 G CA -0.595 44.535 45.100 0.050 0.000 0.898 179 G HN 0.615 nan 8.290 nan 0.000 0.551 180 G N -1.328 107.443 108.800 -0.048 0.000 2.471 180 G HA2 0.738 4.698 3.960 -0.000 0.000 0.332 180 G HA3 0.738 4.698 3.960 -0.000 0.000 0.332 180 G C 0.106 174.889 174.900 -0.194 0.000 1.176 180 G CA 0.935 45.958 45.100 -0.128 0.000 0.949 180 G HN 1.346 nan 8.290 nan 0.000 0.488 181 T N -1.163 113.178 114.554 -0.355 0.000 2.904 181 T HA 0.332 4.682 4.350 -0.000 0.000 0.290 181 T C 0.401 174.775 174.700 -0.544 0.000 1.018 181 T CA -0.081 61.733 62.100 -0.477 0.000 1.075 181 T CB 0.976 69.427 68.868 -0.694 0.000 0.986 181 T HN 0.564 nan 8.240 nan 0.000 0.523 182 D N 1.948 122.120 120.400 -0.380 0.000 2.501 182 D HA 0.081 4.721 4.640 -0.000 0.000 0.224 182 D C 0.612 176.888 176.300 -0.040 0.000 1.202 182 D CA -0.447 53.444 54.000 -0.183 0.000 0.829 182 D CB -0.842 39.915 40.800 -0.073 0.000 1.023 182 D HN 0.647 nan 8.370 nan 0.000 0.499 183 F N 0.814 120.720 119.950 -0.072 0.000 3.059 183 F HA -0.363 4.164 4.527 -0.000 0.000 0.290 183 F C 2.073 177.849 175.800 -0.039 0.000 0.786 183 F CA 0.724 58.692 58.000 -0.054 0.000 1.060 183 F CB -2.333 36.637 39.000 -0.050 0.000 1.327 183 F HN 0.148 nan 8.300 nan 0.000 0.409 184 S N -1.045 114.695 115.700 0.067 0.000 2.365 184 S HA -0.149 4.321 4.470 -0.000 0.000 0.225 184 S C 1.046 175.665 174.600 0.031 0.000 1.039 184 S CA 1.579 59.802 58.200 0.038 0.000 1.033 184 S CB -0.510 62.687 63.200 -0.005 0.000 0.887 184 S HN 0.666 nan 8.310 nan 0.000 0.447 185 T N -2.740 111.817 114.554 0.006 0.000 2.838 185 T HA 0.661 5.011 4.350 -0.000 0.000 0.292 185 T C 0.827 175.515 174.700 -0.020 0.000 1.113 185 T CA -0.802 61.294 62.100 -0.006 0.000 1.008 185 T CB 0.963 69.803 68.868 -0.046 0.000 1.259 185 T HN 0.023 nan 8.240 nan 0.000 0.520 186 I N 0.450 121.008 120.570 -0.020 0.000 2.315 186 I HA -0.068 4.101 4.170 -0.000 0.000 0.248 186 I C 2.798 178.833 176.117 -0.137 0.000 1.117 186 I CA 1.439 62.712 61.300 -0.045 0.000 1.404 186 I CB -0.159 37.878 38.000 0.062 0.000 1.071 186 I HN 0.904 nan 8.210 nan 0.000 0.419 187 E N 1.175 121.214 120.200 -0.269 0.000 2.031 187 E HA -0.293 4.056 4.350 -0.000 0.000 0.193 187 E C 2.080 178.564 176.600 -0.193 0.000 0.994 187 E CA 1.386 57.484 56.400 -0.503 0.000 0.800 187 E CB -0.152 29.116 29.700 -0.720 0.000 0.752 187 E HN 0.369 nan 8.360 nan 0.000 0.447 188 N N 0.194 118.804 118.700 -0.150 0.000 2.061 188 N HA -0.148 4.592 4.740 -0.000 0.000 0.193 188 N C 1.854 177.292 175.510 -0.120 0.000 1.030 188 N CA 1.680 54.662 53.050 -0.113 0.000 0.856 188 N CB -0.424 37.999 38.487 -0.107 0.000 1.023 188 N HN 0.261 nan 8.380 nan 0.000 0.424 189 G N -0.006 108.739 108.800 -0.091 0.000 2.679 189 G HA2 0.012 3.972 3.960 -0.000 0.000 0.212 189 G HA3 0.012 3.972 3.960 -0.000 0.000 0.212 189 G C 1.659 176.584 174.900 0.042 0.000 1.137 189 G CA 0.002 45.088 45.100 -0.023 0.000 0.787 189 G HN 0.330 nan 8.290 nan 0.000 0.534 190 I N -1.355 119.145 120.570 -0.117 0.000 2.556 190 I HA 0.072 4.242 4.170 -0.000 0.000 0.251 190 I C 1.816 177.735 176.117 -0.329 0.000 1.105 190 I CA 0.553 61.700 61.300 -0.254 0.000 1.436 190 I CB 0.111 37.814 38.000 -0.496 0.000 1.139 190 I HN 0.097 nan 8.210 nan 0.000 0.438 191 Y N 0.898 121.168 120.300 -0.049 0.000 2.510 191 Y HA 0.204 4.753 4.550 -0.000 0.000 0.273 191 Y C 1.101 176.966 175.900 -0.059 0.000 1.119 191 Y CA -0.005 57.993 58.100 -0.170 0.000 1.286 191 Y CB -0.127 38.106 38.460 -0.379 0.000 1.061 191 Y HN -0.101 nan 8.280 nan 0.000 0.542 192 K N 1.025 121.452 120.400 0.044 0.000 2.090 192 K HA 0.166 4.486 4.320 -0.000 0.000 0.250 192 K C -0.444 176.135 176.600 -0.036 0.000 1.004 192 K CA -0.800 55.503 56.287 0.026 0.000 0.919 192 K CB 0.425 32.875 32.500 -0.083 0.000 1.045 192 K HN -0.024 nan 8.250 nan 0.000 0.471 193 N N 1.449 120.112 118.700 -0.062 0.000 2.520 193 N HA 0.094 4.834 4.740 -0.000 0.000 0.273 193 N C -0.525 174.812 175.510 -0.288 0.000 1.155 193 N CA -0.056 52.915 53.050 -0.131 0.000 0.967 193 N CB 0.371 38.784 38.487 -0.123 0.000 1.092 193 N HN 0.334 nan 8.380 nan 0.000 0.457 194 L N 4.572 125.604 121.223 -0.318 0.000 2.363 194 L HA 0.083 4.423 4.340 -0.000 0.000 0.286 194 L C 0.135 176.762 176.870 -0.405 0.000 1.106 194 L CA 0.047 54.559 54.840 -0.546 0.000 0.859 194 L CB -0.610 41.198 42.059 -0.417 0.000 1.223 194 L HN 0.588 nan 8.230 nan 0.000 0.446 195 Y N 1.325 121.514 120.300 -0.184 0.000 2.819 195 Y HA -0.455 4.095 4.550 -0.000 0.000 0.471 195 Y C 1.380 177.186 175.900 -0.157 0.000 1.148 195 Y CA 1.467 59.481 58.100 -0.143 0.000 2.713 195 Y CB -1.091 37.297 38.460 -0.121 0.000 1.168 195 Y HN 0.806 nan 8.280 nan 0.000 0.618 196 D N 0.161 120.579 120.400 0.030 0.000 2.540 196 D HA 0.253 4.893 4.640 -0.000 0.000 0.229 196 D C -0.444 175.740 176.300 -0.193 0.000 1.250 196 D CA -0.019 53.935 54.000 -0.077 0.000 0.817 196 D CB -0.660 40.136 40.800 -0.007 0.000 1.060 196 D HN 0.427 nan 8.370 nan 0.000 0.508 197 L N 1.475 122.563 121.223 -0.225 0.000 2.418 197 L HA 0.418 4.757 4.340 -0.000 0.000 0.274 197 L C 0.822 177.484 176.870 -0.346 0.000 1.135 197 L CA -0.793 53.844 54.840 -0.339 0.000 0.870 197 L CB 0.702 42.457 42.059 -0.507 0.000 1.154 197 L HN 0.026 nan 8.230 nan 0.000 0.462 198 A N 2.962 125.514 122.820 -0.447 0.000 2.507 198 A HA -0.008 4.312 4.320 -0.000 0.000 0.281 198 A C 0.046 177.572 177.584 -0.096 0.000 1.154 198 A CA -0.211 51.456 52.037 -0.616 0.000 0.828 198 A CB -0.575 17.941 19.000 -0.806 0.000 1.069 198 A HN 0.724 nan 8.150 nan 0.000 0.522 199 D N 2.084 122.444 120.400 -0.065 0.000 2.371 199 D HA 0.313 4.953 4.640 -0.000 0.000 0.256 199 D C 0.139 176.418 176.300 -0.035 0.000 1.193 199 D CA 0.113 54.137 54.000 0.041 0.000 0.881 199 D CB 0.374 41.228 40.800 0.089 0.000 1.143 199 D HN 0.307 nan 8.370 nan 0.000 0.473 200 L N 3.592 124.707 121.223 -0.181 0.000 2.439 200 L HA 0.197 4.537 4.340 -0.000 0.000 0.269 200 L C 0.265 176.535 176.870 -1.000 0.000 1.179 200 L CA 0.152 54.671 54.840 -0.536 0.000 0.828 200 L CB 0.577 42.338 42.059 -0.498 0.000 1.106 200 L HN 0.369 nan 8.230 nan 0.000 0.467 201 N N 0.838 118.961 118.700 -0.960 0.000 2.546 201 N HA 0.191 4.931 4.740 -0.000 0.000 0.238 201 N C 0.217 175.344 175.510 -0.638 0.000 0.984 201 N CA -0.188 52.368 53.050 -0.824 0.000 0.935 201 N CB 0.340 38.526 38.487 -0.502 0.000 1.122 201 N HN 0.517 nan 8.380 nan 0.000 0.510 202 H N 1.148 119.985 119.070 -0.389 0.000 2.547 202 H HA 0.130 4.686 4.556 -0.000 0.000 0.266 202 H C 1.254 176.463 175.328 -0.198 0.000 0.988 202 H CA 0.291 56.024 56.048 -0.525 0.000 1.147 202 H CB 0.274 29.275 29.762 -1.268 0.000 1.365 202 H HN 0.622 nan 8.280 nan 0.000 0.589 203 N N 0.728 119.440 118.700 0.020 0.000 2.457 203 N HA -0.116 4.623 4.740 -0.000 0.000 0.180 203 N C 0.471 176.016 175.510 0.057 0.000 1.050 203 N CA -0.139 52.971 53.050 0.101 0.000 0.906 203 N CB 0.254 38.825 38.487 0.140 0.000 0.968 203 N HN 0.117 nan 8.380 nan 0.000 0.445 204 N N 0.743 119.435 118.700 -0.012 0.000 2.420 204 N HA 0.033 4.772 4.740 -0.000 0.000 0.262 204 N C 0.398 175.912 175.510 0.007 0.000 1.144 204 N CA 0.205 53.240 53.050 -0.025 0.000 0.952 204 N CB 1.122 39.548 38.487 -0.101 0.000 1.081 204 N HN 0.023 nan 8.380 nan 0.000 0.480 205 S N 2.268 117.992 115.700 0.040 0.000 2.380 205 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 205 S C 1.807 176.445 174.600 0.063 0.000 1.043 205 S CA 1.567 59.807 58.200 0.067 0.000 1.038 205 S CB -0.092 63.144 63.200 0.061 0.000 0.872 205 S HN 0.680 nan 8.310 nan 0.000 0.456 206 S N 0.851 116.565 115.700 0.023 0.000 2.368 206 S HA -0.071 4.399 4.470 -0.000 0.000 0.225 206 S C 2.007 176.629 174.600 0.036 0.000 1.030 206 S CA 1.176 59.387 58.200 0.018 0.000 0.999 206 S CB -0.391 62.788 63.200 -0.036 0.000 0.844 206 S HN 0.356 nan 8.310 nan 0.000 0.459 207 V N 1.933 121.835 119.914 -0.020 0.000 2.270 207 V HA -0.178 3.941 4.120 -0.000 0.000 0.245 207 V C 2.263 178.430 176.094 0.121 0.000 1.043 207 V CA 2.091 64.379 62.300 -0.021 0.000 1.014 207 V CB -0.829 30.882 31.823 -0.188 0.000 0.645 207 V HN 0.459 nan 8.190 nan 0.000 0.447 208 D N 0.309 120.792 120.400 0.138 0.000 2.127 208 D HA -0.199 4.441 4.640 -0.000 0.000 0.190 208 D C 1.962 178.440 176.300 0.296 0.000 1.000 208 D CA 2.123 56.312 54.000 0.315 0.000 0.839 208 D CB -0.199 40.796 40.800 0.325 0.000 0.955 208 D HN 0.173 nan 8.370 nan 0.000 0.446 209 V N -0.322 119.718 119.914 0.209 0.000 2.343 209 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 209 V C 2.143 178.354 176.094 0.194 0.000 1.051 209 V CA 1.939 64.343 62.300 0.172 0.000 1.036 209 V CB -0.935 30.965 31.823 0.129 0.000 0.654 209 V HN 0.364 nan 8.190 nan 0.000 0.451 210 Y N 0.458 120.810 120.300 0.085 0.000 2.145 210 Y HA -0.200 4.350 4.550 -0.000 0.000 0.286 210 Y C 2.195 178.166 175.900 0.119 0.000 1.145 210 Y CA 1.658 59.812 58.100 0.090 0.000 1.148 210 Y CB -0.240 38.261 38.460 0.069 0.000 0.981 210 Y HN 0.141 nan 8.280 nan 0.000 0.507 211 L N 0.039 121.341 121.223 0.133 0.000 2.141 211 L HA -0.201 4.138 4.340 -0.000 0.000 0.209 211 L C 2.347 179.339 176.870 0.202 0.000 1.094 211 L CA 1.500 56.375 54.840 0.058 0.000 0.763 211 L CB -0.377 41.752 42.059 0.117 0.000 0.908 211 L HN 0.191 nan 8.230 nan 0.000 0.437 212 K N -0.451 120.071 120.400 0.204 0.000 2.076 212 K HA -0.109 4.210 4.320 -0.000 0.000 0.204 212 K C 1.671 178.294 176.600 0.038 0.000 1.051 212 K CA 1.086 57.476 56.287 0.171 0.000 0.949 212 K CB -0.036 32.544 32.500 0.133 0.000 0.726 212 K HN 0.182 nan 8.250 nan 0.000 0.443 213 D N 0.961 121.362 120.400 0.002 0.000 2.144 213 D HA -0.128 4.511 4.640 -0.000 0.000 0.199 213 D C 1.811 178.075 176.300 -0.061 0.000 0.984 213 D CA 1.165 55.132 54.000 -0.055 0.000 0.834 213 D CB -0.143 40.637 40.800 -0.032 0.000 0.955 213 D HN 0.186 nan 8.370 nan 0.000 0.465 214 A N 0.846 123.636 122.820 -0.050 0.000 1.877 214 A HA -0.175 4.144 4.320 -0.000 0.000 0.216 214 A C 2.222 179.937 177.584 0.219 0.000 1.186 214 A CA 0.981 53.057 52.037 0.064 0.000 0.620 214 A CB -0.678 18.387 19.000 0.109 0.000 0.822 214 A HN 0.178 nan 8.150 nan 0.000 0.443 215 I N -0.142 120.507 120.570 0.130 0.000 2.286 215 I HA -0.184 3.985 4.170 -0.000 0.000 0.248 215 I C 2.195 178.315 176.117 0.006 0.000 1.115 215 I CA 1.505 62.762 61.300 -0.071 0.000 1.392 215 I CB -0.304 37.511 38.000 -0.309 0.000 1.065 215 I HN 0.265 nan 8.210 nan 0.000 0.418 216 K N -0.520 119.855 120.400 -0.041 0.000 2.057 216 K HA -0.210 4.110 4.320 -0.000 0.000 0.207 216 K C 2.176 178.793 176.600 0.029 0.000 1.049 216 K CA 1.806 58.069 56.287 -0.042 0.000 0.931 216 K CB -0.325 31.985 32.500 -0.317 0.000 0.714 216 K HN 0.356 nan 8.250 nan 0.000 0.440 217 M N -0.132 119.426 119.600 -0.071 0.000 2.082 217 M HA -0.234 4.246 4.480 -0.000 0.000 0.258 217 M C 1.554 177.745 176.300 -0.181 0.000 1.069 217 M CA 1.958 57.150 55.300 -0.180 0.000 1.102 217 M CB -0.259 32.125 32.600 -0.359 0.000 1.336 217 M HN 0.248 nan 8.290 nan 0.000 0.404 218 W N 0.386 121.703 121.300 0.028 0.000 2.392 218 W HA -0.127 4.533 4.660 -0.000 0.000 0.279 218 W C 2.027 178.589 176.519 0.072 0.000 1.225 218 W CA 0.530 57.898 57.345 0.038 0.000 1.233 218 W CB -0.340 29.117 29.460 -0.005 0.000 1.122 218 W HN 0.247 nan 8.180 nan 0.000 0.561 219 L N -0.354 121.013 121.223 0.239 0.000 2.109 219 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 219 L C 1.738 178.708 176.870 0.166 0.000 1.086 219 L CA 1.088 56.041 54.840 0.190 0.000 0.760 219 L CB -0.692 41.483 42.059 0.192 0.000 0.910 219 L HN -0.170 nan 8.230 nan 0.000 0.437 220 D N 0.105 120.600 120.400 0.158 0.000 2.263 220 D HA -0.110 4.530 4.640 -0.000 0.000 0.208 220 D C 2.181 178.542 176.300 0.101 0.000 0.971 220 D CA 0.989 55.057 54.000 0.113 0.000 0.867 220 D CB -0.006 40.850 40.800 0.094 0.000 0.929 220 D HN 0.271 nan 8.370 nan 0.000 0.492 221 L N -1.260 120.049 121.223 0.143 0.000 2.492 221 L HA 0.200 4.539 4.340 -0.000 0.000 0.223 221 L C 1.542 178.535 176.870 0.206 0.000 1.132 221 L CA 0.586 55.543 54.840 0.194 0.000 0.850 221 L CB 0.108 42.350 42.059 0.305 0.000 0.966 221 L HN 0.192 nan 8.230 nan 0.000 0.454 222 G N 0.108 109.028 108.800 0.201 0.000 2.192 222 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.193 222 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.193 222 G C 0.330 175.367 174.900 0.228 0.000 0.999 222 G CA -0.054 45.159 45.100 0.189 0.000 0.659 222 G HN 0.137 nan 8.290 nan 0.000 0.503 223 V N -1.381 118.685 119.914 0.253 0.000 2.999 223 V HA 0.538 4.658 4.120 -0.000 0.000 0.307 223 V C 0.709 176.933 176.094 0.216 0.000 1.084 223 V CA 0.963 63.406 62.300 0.239 0.000 1.155 223 V CB 1.276 33.256 31.823 0.262 0.000 0.975 223 V HN 0.150 nan 8.190 nan 0.000 0.490 224 D N 2.202 122.748 120.400 0.244 0.000 2.469 224 D HA 0.362 5.002 4.640 -0.000 0.000 0.213 224 D C 0.585 177.074 176.300 0.315 0.000 1.135 224 D CA 1.003 55.168 54.000 0.275 0.000 0.834 224 D CB 1.276 42.261 40.800 0.309 0.000 1.009 224 D HN 1.002 nan 8.370 nan 0.000 0.507 225 G N 0.517 109.433 108.800 0.192 0.000 2.632 225 G HA2 0.577 4.537 3.960 -0.000 0.000 0.292 225 G HA3 0.577 4.537 3.960 -0.000 0.000 0.292 225 G C -1.704 173.169 174.900 -0.046 0.000 1.465 225 G CA -0.634 44.492 45.100 0.044 0.000 0.824 225 G HN -0.004 nan 8.290 nan 0.000 0.509 226 I N 0.605 121.069 120.570 -0.176 0.000 2.619 226 I HA 0.521 4.691 4.170 -0.000 0.000 0.292 226 I C -0.562 175.259 176.117 -0.494 0.000 1.100 226 I CA -1.029 60.125 61.300 -0.243 0.000 1.043 226 I CB 2.531 40.399 38.000 -0.220 0.000 1.239 226 I HN 0.274 nan 8.210 nan 0.000 0.420 227 R N 5.645 125.793 120.500 -0.587 0.000 2.360 227 R HA 0.514 4.854 4.340 -0.000 0.000 0.318 227 R C -1.700 174.375 176.300 -0.376 0.000 0.950 227 R CA -0.581 54.914 56.100 -1.009 0.000 0.837 227 R CB 1.558 31.086 30.300 -1.286 0.000 1.165 227 R HN 0.426 nan 8.270 nan 0.000 0.458 228 V N 4.491 124.257 119.914 -0.248 0.000 2.432 228 V HA 0.089 4.209 4.120 -0.000 0.000 0.275 228 V C 0.429 176.548 176.094 0.040 0.000 1.043 228 V CA -0.631 61.686 62.300 0.028 0.000 0.925 228 V CB 1.365 33.282 31.823 0.156 0.000 0.985 228 V HN 0.668 nan 8.190 nan 0.000 0.466 229 D N 4.186 124.632 120.400 0.076 0.000 2.304 229 D HA 0.494 5.133 4.640 -0.000 0.000 0.247 229 D C 0.699 177.068 176.300 0.115 0.000 1.089 229 D CA 0.612 54.675 54.000 0.105 0.000 0.910 229 D CB 1.071 41.931 40.800 0.100 0.000 1.199 229 D HN 1.075 nan 8.370 nan 0.000 0.426 230 A N 2.286 125.199 122.820 0.155 0.000 2.610 230 A HA -0.163 4.157 4.320 -0.000 0.000 0.299 230 A C 1.477 179.104 177.584 0.072 0.000 1.487 230 A CA 0.938 53.081 52.037 0.177 0.000 0.743 230 A CB -2.345 16.802 19.000 0.246 0.000 1.070 230 A HN 1.094 nan 8.150 nan 0.000 0.439 231 V N -1.820 118.096 119.914 0.002 0.000 2.720 231 V HA -0.153 3.966 4.120 -0.000 0.000 0.256 231 V C 1.908 177.795 176.094 -0.345 0.000 1.082 231 V CA 2.489 64.737 62.300 -0.086 0.000 1.101 231 V CB -0.607 31.151 31.823 -0.108 0.000 0.693 231 V HN 0.684 nan 8.190 nan 0.000 0.479 232 K N -0.805 119.245 120.400 -0.584 0.000 2.432 232 K HA -0.039 4.281 4.320 -0.000 0.000 0.196 232 K C 1.412 177.487 176.600 -0.875 0.000 1.038 232 K CA 0.780 56.419 56.287 -1.081 0.000 0.986 232 K CB -0.065 31.464 32.500 -1.619 0.000 0.782 232 K HN 0.692 nan 8.250 nan 0.000 0.485 233 H N -0.785 118.164 119.070 -0.201 0.000 2.528 233 H HA 0.246 4.802 4.556 -0.000 0.000 0.282 233 H C -0.095 175.188 175.328 -0.075 0.000 1.097 233 H CA 0.026 55.999 56.048 -0.125 0.000 1.121 233 H CB 0.300 30.019 29.762 -0.070 0.000 1.590 233 H HN 0.123 nan 8.280 nan 0.000 0.553 234 M N 1.328 120.938 119.600 0.018 0.000 2.690 234 M HA 0.353 4.833 4.480 -0.000 0.000 0.302 234 M C -2.519 173.846 176.300 0.109 0.000 1.234 234 M CA -1.868 53.481 55.300 0.083 0.000 0.853 234 M CB 3.056 35.741 32.600 0.142 0.000 1.748 234 M HN -0.169 nan 8.290 nan 0.000 0.469 235 P HA 0.064 nan 4.420 nan 0.000 0.282 235 P C 0.167 177.686 177.300 0.366 0.000 1.262 235 P CA -0.110 63.137 63.100 0.244 0.000 0.773 235 P CB 0.447 32.305 31.700 0.263 0.000 0.879 236 F N 5.001 125.097 119.950 0.243 0.000 2.087 236 F HA -0.210 4.316 4.527 -0.000 0.000 0.299 236 F C 2.226 178.146 175.800 0.201 0.000 1.100 236 F CA 2.733 60.920 58.000 0.311 0.000 1.226 236 F CB -1.104 38.094 39.000 0.330 0.000 0.983 236 F HN 0.404 nan 8.300 nan 0.000 0.479 237 G N -1.370 107.721 108.800 0.485 0.000 2.450 237 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.220 237 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.220 237 G C 1.417 176.453 174.900 0.227 0.000 1.130 237 G CA 0.752 46.052 45.100 0.334 0.000 0.760 237 G HN 0.638 nan 8.290 nan 0.000 0.557 238 W N 0.948 122.302 121.300 0.091 0.000 2.494 238 W HA 0.087 4.747 4.660 -0.000 0.000 0.286 238 W C 2.724 179.250 176.519 0.010 0.000 1.218 238 W CA 1.109 58.478 57.345 0.040 0.000 1.313 238 W CB 0.057 29.519 29.460 0.003 0.000 1.105 238 W HN 0.226 nan 8.180 nan 0.000 0.561 239 Q N 0.518 120.348 119.800 0.051 0.000 2.096 239 Q HA -0.284 4.056 4.340 -0.000 0.000 0.204 239 Q C 2.134 177.987 176.000 -0.246 0.000 0.982 239 Q CA 1.995 57.741 55.803 -0.095 0.000 0.850 239 Q CB -0.532 28.260 28.738 0.091 0.000 0.901 239 Q HN 0.346 nan 8.270 nan 0.000 0.422 240 K N 0.885 121.116 120.400 -0.282 0.000 2.103 240 K HA -0.165 4.154 4.320 -0.000 0.000 0.207 240 K C 2.248 178.710 176.600 -0.230 0.000 1.048 240 K CA 1.667 57.786 56.287 -0.280 0.000 0.930 240 K CB -0.066 32.307 32.500 -0.211 0.000 0.716 240 K HN 0.196 nan 8.250 nan 0.000 0.444 241 S N -0.307 115.247 115.700 -0.243 0.000 2.428 241 S HA -0.116 4.354 4.470 -0.000 0.000 0.230 241 S C 1.847 176.259 174.600 -0.313 0.000 1.014 241 S CA 0.399 58.456 58.200 -0.238 0.000 0.957 241 S CB -0.480 62.606 63.200 -0.189 0.000 0.784 241 S HN 0.413 nan 8.310 nan 0.000 0.499 242 F N 2.196 121.715 119.950 -0.719 0.000 2.163 242 F HA 0.179 4.706 4.527 -0.000 0.000 0.297 242 F C 2.171 177.721 175.800 -0.417 0.000 1.094 242 F CA 0.975 58.535 58.000 -0.733 0.000 1.290 242 F CB -0.416 37.904 39.000 -1.133 0.000 1.017 242 F HN 0.105 nan 8.300 nan 0.000 0.483 243 M N 0.534 119.894 119.600 -0.401 0.000 2.077 243 M HA -0.058 4.421 4.480 -0.000 0.000 0.261 243 M C 2.593 178.710 176.300 -0.306 0.000 1.070 243 M CA 1.686 56.746 55.300 -0.401 0.000 1.125 243 M CB -1.968 30.448 32.600 -0.307 0.000 1.339 243 M HN 0.249 nan 8.290 nan 0.000 0.409 244 A N -0.550 122.128 122.820 -0.237 0.000 2.032 244 A HA -0.163 4.157 4.320 -0.000 0.000 0.221 244 A C 2.287 179.781 177.584 -0.150 0.000 1.165 244 A CA 2.248 54.184 52.037 -0.168 0.000 0.645 244 A CB -1.064 17.857 19.000 -0.132 0.000 0.807 244 A HN 0.535 nan 8.150 nan 0.000 0.453 245 T N -0.379 114.059 114.554 -0.193 0.000 2.896 245 T HA 0.056 4.406 4.350 -0.000 0.000 0.263 245 T C 1.766 176.377 174.700 -0.148 0.000 1.050 245 T CA 1.163 63.169 62.100 -0.156 0.000 1.140 245 T CB -0.248 68.525 68.868 -0.159 0.000 0.877 245 T HN 0.437 nan 8.240 nan 0.000 0.457 246 I N 1.621 122.040 120.570 -0.253 0.000 2.193 246 I HA -0.146 4.024 4.170 -0.000 0.000 0.240 246 I C 2.224 178.288 176.117 -0.089 0.000 1.084 246 I CA 1.288 62.465 61.300 -0.204 0.000 1.365 246 I CB -0.359 37.416 38.000 -0.375 0.000 1.064 246 I HN 0.288 nan 8.210 nan 0.000 0.410 247 N N 0.856 119.482 118.700 -0.123 0.000 2.205 247 N HA -0.171 4.568 4.740 -0.000 0.000 0.186 247 N C 1.122 176.612 175.510 -0.034 0.000 1.015 247 N CA 0.929 53.934 53.050 -0.076 0.000 0.862 247 N CB -0.148 38.282 38.487 -0.095 0.000 0.986 247 N HN 0.316 nan 8.380 nan 0.000 0.429 248 N N -0.510 118.176 118.700 -0.023 0.000 2.461 248 N HA -0.040 4.700 4.740 -0.000 0.000 0.188 248 N C 0.492 176.052 175.510 0.083 0.000 1.134 248 N CA 0.357 53.413 53.050 0.010 0.000 0.878 248 N CB 0.158 38.642 38.487 -0.005 0.000 0.972 248 N HN 0.474 nan 8.380 nan 0.000 0.456 249 Y N 0.463 120.720 120.300 -0.071 0.000 2.583 249 Y HA 0.258 4.807 4.550 -0.000 0.000 0.270 249 Y C -0.397 175.476 175.900 -0.045 0.000 1.113 249 Y CA 0.267 58.332 58.100 -0.058 0.000 1.307 249 Y CB 0.809 39.227 38.460 -0.069 0.000 1.369 249 Y HN -0.298 nan 8.280 nan 0.000 0.506 250 K N 2.152 122.456 120.400 -0.159 0.000 2.793 250 K HA 0.265 4.585 4.320 -0.000 0.000 0.269 250 K C -3.136 173.420 176.600 -0.073 0.000 1.124 250 K CA -1.652 54.509 56.287 -0.210 0.000 1.074 250 K CB 1.687 34.008 32.500 -0.297 0.000 1.322 250 K HN 0.073 nan 8.250 nan 0.000 0.532 251 P HA 0.097 nan 4.420 nan 0.000 0.271 251 P C -0.040 177.261 177.300 0.002 0.000 1.216 251 P CA -0.261 62.821 63.100 -0.030 0.000 0.771 251 P CB 1.021 32.714 31.700 -0.012 0.000 0.864 252 V N 0.895 120.809 119.914 0.000 0.000 3.007 252 V HA 0.489 4.608 4.120 -0.000 0.000 0.311 252 V C -0.440 175.694 176.094 0.066 0.000 1.120 252 V CA -1.510 60.829 62.300 0.064 0.000 0.980 252 V CB 1.810 33.664 31.823 0.053 0.000 1.033 252 V HN 0.409 nan 8.190 nan 0.000 0.429 253 F N 2.582 122.508 119.950 -0.039 0.000 2.571 253 F HA 0.464 4.991 4.527 -0.000 0.000 0.390 253 F C 0.404 176.116 175.800 -0.148 0.000 1.043 253 F CA 0.881 58.791 58.000 -0.149 0.000 1.164 253 F CB 0.195 38.958 39.000 -0.396 0.000 1.049 253 F HN 0.768 nan 8.300 nan 0.000 0.552 254 T N 7.978 122.215 114.554 -0.529 0.000 2.829 254 T HA 0.588 4.937 4.350 -0.000 0.000 0.280 254 T C -0.878 173.515 174.700 -0.512 0.000 0.999 254 T CA -0.359 61.463 62.100 -0.463 0.000 0.983 254 T CB 1.218 69.901 68.868 -0.308 0.000 0.968 254 T HN 0.510 nan 8.240 nan 0.000 0.446 255 F N -0.711 118.836 119.950 -0.672 0.000 2.643 255 F HA 0.931 5.457 4.527 -0.000 0.000 0.314 255 F C -0.119 175.559 175.800 -0.204 0.000 1.096 255 F CA -1.235 56.479 58.000 -0.477 0.000 0.953 255 F CB 1.325 39.964 39.000 -0.602 0.000 1.345 255 F HN 0.792 nan 8.300 nan 0.000 0.468 256 G N 0.002 108.833 108.800 0.051 0.000 2.680 256 G HA2 0.511 4.470 3.960 -0.000 0.000 0.290 256 G HA3 0.511 4.470 3.960 -0.000 0.000 0.290 256 G C -2.377 172.661 174.900 0.230 0.000 1.355 256 G CA -0.918 44.222 45.100 0.067 0.000 0.903 256 G HN 0.959 nan 8.290 nan 0.000 0.474 257 E N -0.051 120.294 120.200 0.241 0.000 2.151 257 E HA 0.396 4.746 4.350 -0.000 0.000 0.275 257 E C -1.474 175.350 176.600 0.375 0.000 0.936 257 E CA -0.973 55.662 56.400 0.391 0.000 0.777 257 E CB 1.451 31.395 29.700 0.407 0.000 1.108 257 E HN 0.438 nan 8.360 nan 0.000 0.401 258 W N 7.942 129.367 121.300 0.209 0.000 2.591 258 W HA 0.286 4.946 4.660 -0.000 0.000 0.311 258 W C -2.077 174.345 176.519 -0.162 0.000 1.003 258 W CA -1.537 55.850 57.345 0.069 0.000 1.332 258 W CB 0.519 30.062 29.460 0.139 0.000 1.272 258 W HN 0.546 nan 8.180 nan 0.000 0.412 259 F N 6.484 126.273 119.950 -0.268 0.000 2.506 259 F HA 0.359 4.886 4.527 -0.000 0.000 0.371 259 F C -0.363 175.173 175.800 -0.441 0.000 1.078 259 F CA 0.504 58.009 58.000 -0.825 0.000 1.195 259 F CB 0.563 39.243 39.000 -0.533 0.000 1.099 259 F HN 0.157 nan 8.300 nan 0.000 0.548 260 L N 5.542 126.164 121.223 -1.002 0.000 2.330 260 L HA 0.619 4.959 4.340 -0.000 0.000 0.271 260 L C 0.641 177.181 176.870 -0.549 0.000 1.013 260 L CA -0.680 53.858 54.840 -0.502 0.000 0.816 260 L CB 1.722 43.480 42.059 -0.501 0.000 1.287 260 L HN 0.753 nan 8.230 nan 0.000 0.435 261 G N 0.713 109.428 108.800 -0.143 0.000 2.849 261 G HA2 0.457 4.417 3.960 -0.000 0.000 0.174 261 G HA3 0.457 4.417 3.960 -0.000 0.000 0.174 261 G C -0.649 174.246 174.900 -0.008 0.000 1.370 261 G CA -0.398 44.708 45.100 0.010 0.000 1.040 261 G HN 0.259 nan 8.290 nan 0.000 0.582 262 V N 1.834 121.770 119.914 0.038 0.000 2.408 262 V HA 0.197 4.317 4.120 -0.000 0.000 0.267 262 V C 0.314 176.415 176.094 0.012 0.000 1.047 262 V CA -0.320 61.994 62.300 0.024 0.000 0.937 262 V CB 0.641 32.484 31.823 0.033 0.000 0.999 262 V HN 0.737 nan 8.190 nan 0.000 0.472 263 N N 2.461 121.163 118.700 0.004 0.000 2.708 263 N HA -0.197 4.543 4.740 -0.000 0.000 0.251 263 N C 0.296 175.809 175.510 0.006 0.000 1.123 263 N CA 1.363 54.417 53.050 0.006 0.000 0.739 263 N CB -0.452 38.039 38.487 0.007 0.000 1.113 263 N HN 0.957 nan 8.380 nan 0.000 0.561 264 E N 0.871 121.067 120.200 -0.008 0.000 2.156 264 E HA 0.407 4.756 4.350 -0.000 0.000 0.279 264 E C -0.666 175.910 176.600 -0.040 0.000 0.965 264 E CA -0.663 55.730 56.400 -0.011 0.000 0.789 264 E CB 0.562 30.254 29.700 -0.013 0.000 1.098 264 E HN 0.225 nan 8.360 nan 0.000 0.397 265 I N 1.793 122.360 120.570 -0.006 0.000 2.529 265 I HA 0.273 4.442 4.170 -0.000 0.000 0.284 265 I C -0.520 175.631 176.117 0.057 0.000 1.088 265 I CA -0.893 60.414 61.300 0.011 0.000 1.062 265 I CB 1.464 39.512 38.000 0.080 0.000 1.218 265 I HN 0.297 nan 8.210 nan 0.000 0.442 266 S N 5.139 120.863 115.700 0.040 0.000 2.549 266 S HA 0.715 5.185 4.470 -0.000 0.000 0.297 266 S C -1.943 172.767 174.600 0.184 0.000 1.115 266 S CA -1.239 57.027 58.200 0.109 0.000 1.059 266 S CB 1.956 65.237 63.200 0.135 0.000 1.046 266 S HN 0.580 nan 8.310 nan 0.000 0.506 267 P HA 0.039 nan 4.420 nan 0.000 0.224 267 P C 0.640 178.022 177.300 0.136 0.000 1.157 267 P CA 0.791 64.009 63.100 0.197 0.000 0.799 267 P CB 0.128 31.902 31.700 0.124 0.000 0.809 268 E N -0.605 119.668 120.200 0.121 0.000 2.150 268 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 268 E C 2.059 178.516 176.600 -0.239 0.000 0.985 268 E CA 0.908 57.374 56.400 0.110 0.000 0.814 268 E CB -1.069 28.833 29.700 0.337 0.000 0.752 268 E HN 0.367 nan 8.360 nan 0.000 0.466 269 Y N 0.582 120.503 120.300 -0.631 0.000 2.181 269 Y HA -0.284 4.266 4.550 -0.000 0.000 0.288 269 Y C 2.151 177.692 175.900 -0.599 0.000 1.146 269 Y CA 1.788 59.183 58.100 -1.176 0.000 1.164 269 Y CB 0.068 37.963 38.460 -0.942 0.000 0.982 269 Y HN 0.160 nan 8.280 nan 0.000 0.515 270 H N -0.015 118.886 119.070 -0.282 0.000 2.363 270 H HA -0.152 4.404 4.556 -0.000 0.000 0.301 270 H C 2.281 177.546 175.328 -0.106 0.000 1.074 270 H CA 1.531 57.426 56.048 -0.256 0.000 1.354 270 H CB -0.484 29.169 29.762 -0.183 0.000 1.397 270 H HN 0.525 nan 8.280 nan 0.000 0.516 271 Q N 0.931 120.783 119.800 0.087 0.000 2.152 271 Q HA -0.195 4.145 4.340 -0.000 0.000 0.206 271 Q C 2.131 178.257 176.000 0.210 0.000 0.985 271 Q CA 1.416 57.296 55.803 0.128 0.000 0.863 271 Q CB -0.595 28.218 28.738 0.125 0.000 0.904 271 Q HN 0.395 nan 8.270 nan 0.000 0.422 272 F N 1.195 121.176 119.950 0.051 0.000 2.075 272 F HA -0.135 4.392 4.527 -0.000 0.000 0.297 272 F C 2.416 178.240 175.800 0.040 0.000 1.113 272 F CA 1.967 60.055 58.000 0.146 0.000 1.218 272 F CB -0.433 38.577 39.000 0.017 0.000 0.984 272 F HN 0.211 nan 8.300 nan 0.000 0.472 273 A N 0.114 122.953 122.820 0.031 0.000 1.972 273 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 273 A C 1.873 179.454 177.584 -0.004 0.000 1.169 273 A CA 2.011 54.048 52.037 -0.001 0.000 0.635 273 A CB -0.785 18.255 19.000 0.066 0.000 0.810 273 A HN 0.508 nan 8.150 nan 0.000 0.446 274 N N -0.448 118.273 118.700 0.034 0.000 2.333 274 N HA -0.012 4.727 4.740 -0.000 0.000 0.178 274 N C 1.110 176.630 175.510 0.015 0.000 1.018 274 N CA 1.345 54.419 53.050 0.041 0.000 0.882 274 N CB -0.068 38.456 38.487 0.062 0.000 0.984 274 N HN 0.690 nan 8.380 nan 0.000 0.434 275 E N -1.015 119.203 120.200 0.028 0.000 2.601 275 E HA 0.118 4.468 4.350 -0.000 0.000 0.219 275 E C 1.246 177.806 176.600 -0.067 0.000 0.964 275 E CA -0.063 56.380 56.400 0.071 0.000 1.050 275 E CB 0.480 30.332 29.700 0.253 0.000 1.068 275 E HN 0.236 nan 8.360 nan 0.000 0.496 276 S N -0.418 115.039 115.700 -0.406 0.000 2.414 276 S HA 0.097 4.566 4.470 -0.000 0.000 0.227 276 S C 1.804 176.103 174.600 -0.503 0.000 1.022 276 S CA 0.766 58.481 58.200 -0.808 0.000 0.958 276 S CB 0.203 62.507 63.200 -1.493 0.000 0.797 276 S HN 0.311 nan 8.310 nan 0.000 0.493 277 G N 1.120 109.710 108.800 -0.349 0.000 2.192 277 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.193 277 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.193 277 G C -0.146 174.616 174.900 -0.228 0.000 0.999 277 G CA -0.010 44.940 45.100 -0.250 0.000 0.659 277 G HN 0.959 nan 8.290 nan 0.000 0.503 278 M N -0.231 119.207 119.600 -0.270 0.000 2.531 278 M HA 0.830 5.309 4.480 -0.000 0.000 0.286 278 M C 0.128 176.350 176.300 -0.130 0.000 1.232 278 M CA -0.409 54.775 55.300 -0.193 0.000 0.877 278 M CB 1.931 34.429 32.600 -0.170 0.000 1.726 278 M HN 0.445 nan 8.290 nan 0.000 0.463 279 S N 1.224 116.884 115.700 -0.066 0.000 2.694 279 S HA 0.858 5.328 4.470 -0.000 0.000 0.278 279 S C -0.522 174.147 174.600 0.115 0.000 1.152 279 S CA -0.741 57.460 58.200 0.002 0.000 1.010 279 S CB 1.057 64.253 63.200 -0.006 0.000 1.104 279 S HN 0.613 nan 8.310 nan 0.000 0.547 280 L N -0.488 120.815 121.223 0.133 0.000 2.230 280 L HA 0.605 4.945 4.340 -0.000 0.000 0.255 280 L C -0.932 176.116 176.870 0.296 0.000 1.039 280 L CA -0.991 54.011 54.840 0.270 0.000 0.846 280 L CB 1.136 43.344 42.059 0.249 0.000 1.419 280 L HN 0.581 nan 8.230 nan 0.000 0.435 281 L N 1.422 122.922 121.223 0.461 0.000 2.290 281 L HA 0.241 4.580 4.340 -0.000 0.000 0.284 281 L C -0.060 177.177 176.870 0.611 0.000 1.078 281 L CA -0.073 55.040 54.840 0.456 0.000 0.815 281 L CB 0.148 42.446 42.059 0.398 0.000 1.162 281 L HN 0.433 nan 8.230 nan 0.000 0.435 282 D N 3.433 124.113 120.400 0.467 0.000 2.540 282 D HA -0.067 4.573 4.640 -0.000 0.000 0.237 282 D C 1.111 177.620 176.300 0.349 0.000 1.181 282 D CA 0.336 54.574 54.000 0.397 0.000 1.119 282 D CB -0.149 40.717 40.800 0.110 0.000 1.119 282 D HN 0.368 nan 8.370 nan 0.000 0.498 283 F N 0.645 120.831 119.950 0.394 0.000 2.451 283 F HA -0.013 4.514 4.527 -0.000 0.000 0.299 283 F C 2.473 178.283 175.800 0.017 0.000 1.101 283 F CA 0.413 58.489 58.000 0.128 0.000 1.436 283 F CB 0.112 39.105 39.000 -0.012 0.000 1.074 283 F HN 0.229 nan 8.300 nan 0.000 0.553 284 R N -0.664 120.024 120.500 0.313 0.000 2.115 284 R HA -0.146 4.194 4.340 -0.000 0.000 0.226 284 R C 2.133 178.562 176.300 0.214 0.000 1.100 284 R CA 1.078 57.315 56.100 0.229 0.000 0.980 284 R CB -0.363 30.137 30.300 0.334 0.000 0.875 284 R HN 0.297 nan 8.270 nan 0.000 0.445 285 F N 0.654 120.643 119.950 0.064 0.000 2.094 285 F HA 0.030 4.556 4.527 -0.000 0.000 0.291 285 F C 2.166 177.920 175.800 -0.077 0.000 1.109 285 F CA 1.417 59.426 58.000 0.015 0.000 1.221 285 F CB -0.513 38.461 39.000 -0.042 0.000 1.014 285 F HN 0.066 nan 8.300 nan 0.000 0.473 286 A N 0.295 123.063 122.820 -0.087 0.000 1.873 286 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 286 A C 2.115 179.631 177.584 -0.113 0.000 1.193 286 A CA 2.084 53.920 52.037 -0.335 0.000 0.629 286 A CB -0.978 17.381 19.000 -1.068 0.000 0.826 286 A HN 0.566 nan 8.150 nan 0.000 0.447 287 Q N -0.879 118.886 119.800 -0.059 0.000 2.167 287 Q HA -0.157 4.182 4.340 -0.000 0.000 0.202 287 Q C 2.029 178.023 176.000 -0.010 0.000 0.970 287 Q CA 1.689 57.494 55.803 0.003 0.000 0.855 287 Q CB -0.307 28.441 28.738 0.016 0.000 0.911 287 Q HN 0.648 nan 8.270 nan 0.000 0.438 288 K N 1.288 121.664 120.400 -0.039 0.000 2.062 288 K HA 0.027 4.347 4.320 -0.000 0.000 0.205 288 K C 1.892 178.417 176.600 -0.125 0.000 1.051 288 K CA 1.236 57.477 56.287 -0.077 0.000 0.941 288 K CB -0.441 32.014 32.500 -0.074 0.000 0.719 288 K HN 0.096 nan 8.250 nan 0.000 0.440 289 A N 0.864 123.613 122.820 -0.119 0.000 1.933 289 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 289 A C 2.086 179.778 177.584 0.180 0.000 1.175 289 A CA 1.619 53.652 52.037 -0.007 0.000 0.628 289 A CB -0.439 18.601 19.000 0.067 0.000 0.814 289 A HN 0.358 nan 8.150 nan 0.000 0.444 290 R N -0.645 119.964 120.500 0.181 0.000 2.148 290 R HA -0.054 4.286 4.340 -0.000 0.000 0.223 290 R C 2.293 178.619 176.300 0.043 0.000 1.088 290 R CA 1.252 57.478 56.100 0.211 0.000 0.985 290 R CB -0.192 30.207 30.300 0.165 0.000 0.880 290 R HN 0.675 nan 8.270 nan 0.000 0.451 291 Q N -0.176 119.616 119.800 -0.015 0.000 2.172 291 Q HA -0.059 4.281 4.340 -0.000 0.000 0.200 291 Q C 1.980 177.915 176.000 -0.108 0.000 0.964 291 Q CA 1.161 56.930 55.803 -0.057 0.000 0.855 291 Q CB 0.323 29.025 28.738 -0.061 0.000 0.918 291 Q HN 0.179 nan 8.270 nan 0.000 0.444 292 V N -0.618 119.174 119.914 -0.203 0.000 2.426 292 V HA -0.096 4.023 4.120 -0.000 0.000 0.242 292 V C 1.518 177.406 176.094 -0.343 0.000 1.036 292 V CA 1.382 63.457 62.300 -0.375 0.000 1.044 292 V CB -0.303 31.109 31.823 -0.685 0.000 0.688 292 V HN 0.255 nan 8.190 nan 0.000 0.462 293 F N -0.570 119.381 119.950 0.002 0.000 2.664 293 F HA 0.188 4.715 4.527 -0.000 0.000 0.296 293 F C 2.357 178.217 175.800 0.101 0.000 1.125 293 F CA 0.676 58.734 58.000 0.096 0.000 1.444 293 F CB 0.221 39.345 39.000 0.206 0.000 1.114 293 F HN -0.042 nan 8.300 nan 0.000 0.576 294 R N 0.256 120.822 120.500 0.110 0.000 2.207 294 R HA 0.035 4.374 4.340 -0.000 0.000 0.180 294 R C 1.303 177.534 176.300 -0.115 0.000 1.445 294 R CA 0.459 56.463 56.100 -0.160 0.000 1.217 294 R CB -0.178 29.766 30.300 -0.593 0.000 1.135 294 R HN -0.039 nan 8.270 nan 0.000 0.481 295 D N 0.959 121.298 120.400 -0.102 0.000 2.312 295 D HA -0.053 4.587 4.640 -0.000 0.000 0.211 295 D C -0.190 176.081 176.300 -0.048 0.000 0.964 295 D CA 0.589 54.546 54.000 -0.071 0.000 0.877 295 D CB -0.301 40.466 40.800 -0.055 0.000 0.924 295 D HN 0.271 nan 8.370 nan 0.000 0.515 296 N N -0.355 118.315 118.700 -0.049 0.000 2.725 296 N HA -0.156 4.584 4.740 -0.000 0.000 0.251 296 N C 0.186 175.671 175.510 -0.043 0.000 1.031 296 N CA 1.096 54.117 53.050 -0.048 0.000 0.720 296 N CB -1.282 37.188 38.487 -0.029 0.000 0.930 296 N HN 0.270 nan 8.380 nan 0.000 0.543 297 T N -4.650 109.877 114.554 -0.046 0.000 3.105 297 T HA 0.246 4.595 4.350 -0.000 0.000 0.253 297 T C 0.104 174.781 174.700 -0.038 0.000 1.047 297 T CA -0.135 61.945 62.100 -0.034 0.000 0.944 297 T CB 0.721 69.574 68.868 -0.025 0.000 1.016 297 T HN 0.229 nan 8.240 nan 0.000 0.544 298 D N 1.049 121.414 120.400 -0.058 0.000 2.654 298 D HA 0.329 4.969 4.640 -0.000 0.000 0.231 298 D C -1.302 174.944 176.300 -0.090 0.000 1.239 298 D CA -0.643 53.321 54.000 -0.061 0.000 0.790 298 D CB 1.751 42.512 40.800 -0.065 0.000 1.480 298 D HN 0.270 nan 8.370 nan 0.000 0.442 299 N N 0.881 119.543 118.700 -0.062 0.000 2.538 299 N HA 0.257 4.997 4.740 -0.000 0.000 0.292 299 N C 0.845 176.275 175.510 -0.132 0.000 1.262 299 N CA -0.495 52.508 53.050 -0.078 0.000 0.976 299 N CB 0.333 38.823 38.487 0.005 0.000 1.161 299 N HN 0.245 nan 8.380 nan 0.000 0.598 300 M N -1.012 118.476 119.600 -0.187 0.000 2.358 300 M HA 0.049 4.529 4.480 -0.000 0.000 0.264 300 M C 0.733 176.889 176.300 -0.240 0.000 1.064 300 M CA 1.408 56.546 55.300 -0.269 0.000 1.093 300 M CB -0.768 31.653 32.600 -0.298 0.000 1.401 300 M HN 0.605 nan 8.290 nan 0.000 0.440 301 Y N -1.711 118.544 120.300 -0.076 0.000 2.509 301 Y HA 0.031 4.581 4.550 -0.000 0.000 0.293 301 Y C 2.252 178.119 175.900 -0.056 0.000 1.133 301 Y CA 0.896 58.963 58.100 -0.056 0.000 1.283 301 Y CB -0.508 37.922 38.460 -0.050 0.000 1.001 301 Y HN 0.304 nan 8.280 nan 0.000 0.555 302 G N -0.748 108.081 108.800 0.048 0.000 2.453 302 G HA2 -0.149 3.810 3.960 -0.000 0.000 0.215 302 G HA3 -0.149 3.810 3.960 -0.000 0.000 0.215 302 G C 1.465 176.337 174.900 -0.046 0.000 1.147 302 G CA 0.335 45.435 45.100 -0.001 0.000 0.802 302 G HN 0.279 nan 8.290 nan 0.000 0.535 303 L N 0.907 122.061 121.223 -0.115 0.000 2.044 303 L HA 0.154 4.494 4.340 -0.000 0.000 0.205 303 L C 2.717 179.555 176.870 -0.055 0.000 1.075 303 L CA 2.254 56.996 54.840 -0.163 0.000 0.747 303 L CB -0.445 41.421 42.059 -0.321 0.000 0.903 303 L HN 0.231 nan 8.230 nan 0.000 0.435 304 K N -0.413 119.968 120.400 -0.032 0.000 2.020 304 K HA -0.252 4.068 4.320 -0.000 0.000 0.212 304 K C 1.942 178.576 176.600 0.056 0.000 1.050 304 K CA 1.766 58.071 56.287 0.030 0.000 0.929 304 K CB -0.393 32.137 32.500 0.049 0.000 0.714 304 K HN 0.404 nan 8.250 nan 0.000 0.443 305 A N 2.209 125.063 122.820 0.057 0.000 1.849 305 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 305 A C 2.250 179.869 177.584 0.059 0.000 1.202 305 A CA 2.080 54.151 52.037 0.056 0.000 0.629 305 A CB -0.882 18.146 19.000 0.047 0.000 0.834 305 A HN 0.583 nan 8.150 nan 0.000 0.447 306 M N -0.155 119.477 119.600 0.054 0.000 2.103 306 M HA -0.200 4.279 4.480 -0.000 0.000 0.255 306 M C 2.093 178.471 176.300 0.130 0.000 1.074 306 M CA 2.047 57.399 55.300 0.086 0.000 1.090 306 M CB -1.000 31.637 32.600 0.062 0.000 1.325 306 M HN 0.450 nan 8.290 nan 0.000 0.403 307 L N -0.410 120.886 121.223 0.120 0.000 2.083 307 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 307 L C 2.269 179.202 176.870 0.106 0.000 1.083 307 L CA 1.472 56.393 54.840 0.135 0.000 0.752 307 L CB -0.591 41.526 42.059 0.097 0.000 0.899 307 L HN 0.383 nan 8.230 nan 0.000 0.433 308 E N -0.306 119.946 120.200 0.086 0.000 2.076 308 E HA -0.091 4.259 4.350 -0.000 0.000 0.190 308 E C 2.262 178.902 176.600 0.065 0.000 0.979 308 E CA 0.792 57.236 56.400 0.073 0.000 0.807 308 E CB -0.232 29.509 29.700 0.069 0.000 0.761 308 E HN 0.493 nan 8.360 nan 0.000 0.454 309 G N 0.504 109.341 108.800 0.063 0.000 2.432 309 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 309 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 309 G C 1.649 176.574 174.900 0.042 0.000 1.135 309 G CA 0.800 45.921 45.100 0.036 0.000 0.767 309 G HN 0.134 nan 8.290 nan 0.000 0.550 310 S N -0.073 115.700 115.700 0.122 0.000 2.387 310 S HA -0.044 4.426 4.470 -0.000 0.000 0.226 310 S C 1.950 176.679 174.600 0.214 0.000 1.026 310 S CA 0.847 59.182 58.200 0.226 0.000 0.972 310 S CB -0.112 63.314 63.200 0.377 0.000 0.814 310 S HN 0.603 nan 8.310 nan 0.000 0.477 311 E N 0.457 120.738 120.200 0.134 0.000 2.510 311 E HA -0.077 4.273 4.350 -0.000 0.000 0.202 311 E C 1.392 178.033 176.600 0.068 0.000 1.072 311 E CA 0.506 56.963 56.400 0.095 0.000 0.883 311 E CB 0.140 29.875 29.700 0.057 0.000 0.818 311 E HN 0.337 nan 8.360 nan 0.000 0.548 312 V N -1.030 118.913 119.914 0.047 0.000 3.103 312 V HA -0.035 4.085 4.120 -0.000 0.000 0.229 312 V C 0.878 176.949 176.094 -0.039 0.000 1.304 312 V CA 0.747 63.049 62.300 0.004 0.000 1.298 312 V CB 0.243 32.059 31.823 -0.012 0.000 1.093 312 V HN 0.072 nan 8.190 nan 0.000 0.489 313 D N 0.224 120.554 120.400 -0.116 0.000 2.133 313 D HA -0.113 4.527 4.640 -0.000 0.000 0.195 313 D C 0.281 176.461 176.300 -0.201 0.000 0.997 313 D CA 1.589 55.406 54.000 -0.305 0.000 0.840 313 D CB -0.319 40.107 40.800 -0.622 0.000 0.947 313 D HN 0.555 nan 8.370 nan 0.000 0.452 314 Y N -0.458 119.855 120.300 0.021 0.000 2.299 314 Y HA 0.420 4.969 4.550 -0.000 0.000 0.326 314 Y C 1.262 177.162 175.900 -0.001 0.000 1.164 314 Y CA -0.610 57.518 58.100 0.046 0.000 1.234 314 Y CB 1.257 39.755 38.460 0.063 0.000 1.219 314 Y HN -0.164 nan 8.280 nan 0.000 0.497 315 A N 2.189 125.101 122.820 0.154 0.000 1.970 315 A HA -0.043 4.276 4.320 -0.000 0.000 0.216 315 A C 0.354 177.939 177.584 0.003 0.000 1.170 315 A CA 0.811 52.875 52.037 0.045 0.000 0.645 315 A CB -0.187 18.829 19.000 0.026 0.000 0.816 315 A HN 0.806 nan 8.150 nan 0.000 0.447 316 Q N -0.586 119.246 119.800 0.052 0.000 2.932 316 Q HA 0.440 4.779 4.340 -0.000 0.000 0.248 316 Q C 0.220 176.236 176.000 0.026 0.000 0.982 316 Q CA -0.240 55.586 55.803 0.038 0.000 0.730 316 Q CB 1.524 30.324 28.738 0.103 0.000 1.249 316 Q HN 0.077 nan 8.270 nan 0.000 0.476 317 V N 0.192 120.121 119.914 0.026 0.000 2.626 317 V HA -0.203 3.917 4.120 -0.000 0.000 0.252 317 V C 1.197 177.232 176.094 -0.099 0.000 1.067 317 V CA 1.306 63.574 62.300 -0.053 0.000 1.081 317 V CB -0.206 31.646 31.823 0.048 0.000 0.686 317 V HN 0.673 nan 8.190 nan 0.000 0.468 318 N N 0.374 119.061 118.700 -0.022 0.000 2.550 318 N HA -0.092 4.647 4.740 -0.000 0.000 0.186 318 N C 1.088 176.562 175.510 -0.060 0.000 1.110 318 N CA 0.854 53.885 53.050 -0.030 0.000 0.912 318 N CB -0.143 38.383 38.487 0.066 0.000 0.968 318 N HN 0.493 nan 8.380 nan 0.000 0.448 319 D N -0.046 120.332 120.400 -0.036 0.000 2.369 319 D HA 0.041 4.680 4.640 -0.000 0.000 0.211 319 D C -0.071 176.230 176.300 0.000 0.000 1.077 319 D CA 0.172 54.188 54.000 0.027 0.000 0.842 319 D CB 0.435 41.321 40.800 0.144 0.000 0.947 319 D HN 0.125 nan 8.370 nan 0.000 0.509 320 Q N 0.844 120.545 119.800 -0.165 0.000 2.267 320 Q HA 0.262 4.602 4.340 -0.000 0.000 0.255 320 Q C 0.035 175.921 176.000 -0.191 0.000 0.923 320 Q CA -0.461 55.207 55.803 -0.225 0.000 0.925 320 Q CB 2.267 30.707 28.738 -0.496 0.000 1.195 320 Q HN -0.118 nan 8.270 nan 0.000 0.417 321 V N 3.505 123.333 119.914 -0.143 0.000 2.427 321 V HA 0.195 4.315 4.120 -0.000 0.000 0.268 321 V C 0.630 176.742 176.094 0.030 0.000 1.046 321 V CA -0.273 61.934 62.300 -0.154 0.000 0.970 321 V CB 0.481 32.082 31.823 -0.370 0.000 1.001 321 V HN 0.860 nan 8.190 nan 0.000 0.476 322 T N 3.082 117.588 114.554 -0.080 0.000 2.927 322 T HA 0.893 5.242 4.350 -0.000 0.000 0.281 322 T C -0.585 174.263 174.700 0.247 0.000 0.998 322 T CA -0.538 61.478 62.100 -0.141 0.000 1.019 322 T CB 1.675 70.033 68.868 -0.851 0.000 1.061 322 T HN 0.736 nan 8.240 nan 0.000 0.518 323 F N -1.571 118.380 119.950 0.002 0.000 2.878 323 F HA 0.461 4.988 4.527 0.000 0.000 0.322 323 F C -0.564 175.330 175.800 0.157 0.000 1.154 323 F CA -1.451 56.592 58.000 0.072 0.000 0.896 323 F CB 0.243 39.273 39.000 0.050 0.000 1.313 323 F HN 0.432 nan 8.300 nan 0.000 0.451 324 I N -1.311 119.365 120.570 0.176 0.000 3.939 324 I HA 0.413 4.583 4.170 -0.000 0.000 0.313 324 I C -0.427 175.847 176.117 0.261 0.000 1.274 324 I CA -0.033 61.319 61.300 0.087 0.000 1.301 324 I CB -0.222 37.672 38.000 -0.176 0.000 1.105 324 I HN 0.678 nan 8.210 nan 0.000 0.427 325 D N -0.117 120.506 120.400 0.371 0.000 2.710 325 D HA 0.425 5.065 4.640 -0.000 0.000 0.276 325 D C -0.885 175.531 176.300 0.193 0.000 1.267 325 D CA -0.692 53.516 54.000 0.346 0.000 0.772 325 D CB 1.038 42.038 40.800 0.334 0.000 1.299 325 D HN 0.175 nan 8.370 nan 0.000 0.421 326 N N -2.120 116.515 118.700 -0.109 0.000 3.465 326 N HA 0.110 4.850 4.740 -0.000 0.000 0.332 326 N C 0.446 175.511 175.510 -0.741 0.000 1.492 326 N CA -0.096 52.493 53.050 -0.768 0.000 0.867 326 N CB -0.321 37.914 38.487 -0.421 0.000 1.899 326 N HN 0.644 nan 8.380 nan 0.000 0.502 327 H N -2.767 115.894 119.070 -0.683 0.000 2.518 327 H HA 0.222 4.778 4.556 -0.000 0.000 0.289 327 H C -0.384 174.979 175.328 0.059 0.000 1.051 327 H CA 1.320 57.311 56.048 -0.095 0.000 1.280 327 H CB -0.077 29.851 29.762 0.277 0.000 1.380 327 H HN 0.405 nan 8.280 nan 0.000 0.566 328 D N 0.907 121.088 120.400 -0.365 0.000 2.463 328 D HA 0.169 4.809 4.640 -0.000 0.000 0.224 328 D C 0.220 176.614 176.300 0.156 0.000 1.174 328 D CA 0.110 54.054 54.000 -0.094 0.000 0.829 328 D CB 0.352 41.133 40.800 -0.032 0.000 0.993 328 D HN 0.621 nan 8.370 nan 0.000 0.497 329 M N -2.124 117.553 119.600 0.129 0.000 2.694 329 M HA 0.356 4.836 4.480 -0.000 0.000 0.276 329 M C -1.250 175.137 176.300 0.144 0.000 1.167 329 M CA -0.910 54.509 55.300 0.198 0.000 0.849 329 M CB 1.944 34.747 32.600 0.338 0.000 1.705 329 M HN -0.361 nan 8.290 nan 0.000 0.504 330 E N 2.102 122.383 120.200 0.134 0.000 2.467 330 E HA 0.121 4.471 4.350 -0.000 0.000 0.264 330 E C -0.525 176.166 176.600 0.151 0.000 1.020 330 E CA -0.209 56.259 56.400 0.112 0.000 0.945 330 E CB 0.479 30.224 29.700 0.076 0.000 0.942 330 E HN 0.316 nan 8.360 nan 0.000 0.449 331 R N 1.932 122.523 120.500 0.153 0.000 2.570 331 R HA -0.060 4.280 4.340 -0.000 0.000 0.277 331 R C 0.813 177.248 176.300 0.224 0.000 1.039 331 R CA 0.227 56.453 56.100 0.210 0.000 1.065 331 R CB -0.009 30.394 30.300 0.171 0.000 0.964 331 R HN 0.636 nan 8.270 nan 0.000 0.428 332 F N 2.356 122.396 119.950 0.150 0.000 2.161 332 F HA -0.183 4.344 4.527 -0.000 0.000 0.300 332 F C 1.429 177.329 175.800 0.166 0.000 1.089 332 F CA 1.487 59.576 58.000 0.150 0.000 1.282 332 F CB -0.022 39.074 39.000 0.160 0.000 1.010 332 F HN 0.485 nan 8.300 nan 0.000 0.485 333 H N 0.803 120.056 119.070 0.305 0.000 2.646 333 H HA 0.219 4.775 4.556 -0.000 0.000 0.325 333 H C 0.049 175.438 175.328 0.102 0.000 1.075 333 H CA 0.294 56.474 56.048 0.219 0.000 1.421 333 H CB 0.871 30.794 29.762 0.269 0.000 1.461 333 H HN 0.246 nan 8.280 nan 0.000 0.525 334 T N 0.702 114.958 114.554 -0.497 0.000 2.876 334 T HA 0.209 4.558 4.350 -0.000 0.000 0.277 334 T C 1.299 175.699 174.700 -0.500 0.000 0.997 334 T CA -0.153 61.722 62.100 -0.375 0.000 0.966 334 T CB 1.023 69.769 68.868 -0.204 0.000 1.312 334 T HN 0.568 nan 8.240 nan 0.000 0.598 335 S N 0.808 116.370 115.700 -0.231 0.000 2.404 335 S HA -0.027 4.443 4.470 -0.000 0.000 0.223 335 S C 1.499 176.044 174.600 -0.091 0.000 1.040 335 S CA 0.440 58.558 58.200 -0.137 0.000 0.957 335 S CB -0.768 62.390 63.200 -0.070 0.000 0.826 335 S HN 0.880 nan 8.310 nan 0.000 0.491 336 N N 2.449 121.101 118.700 -0.081 0.000 2.362 336 N HA 0.259 4.998 4.740 -0.000 0.000 0.204 336 N C 0.182 175.670 175.510 -0.037 0.000 1.166 336 N CA 0.231 53.254 53.050 -0.045 0.000 0.831 336 N CB -0.132 38.333 38.487 -0.037 0.000 1.008 336 N HN 0.477 nan 8.380 nan 0.000 0.472 337 G N -0.131 108.636 108.800 -0.054 0.000 2.571 337 G HA2 0.407 4.367 3.960 -0.000 0.000 0.304 337 G HA3 0.407 4.367 3.960 -0.000 0.000 0.304 337 G C -1.232 173.716 174.900 0.081 0.000 1.314 337 G CA -0.729 44.368 45.100 -0.005 0.000 0.975 337 G HN 0.296 nan 8.290 nan 0.000 0.485 338 D N 0.339 120.805 120.400 0.110 0.000 2.304 338 D HA 0.118 4.758 4.640 -0.000 0.000 0.247 338 D C 0.978 177.408 176.300 0.217 0.000 1.089 338 D CA -0.708 53.377 54.000 0.141 0.000 0.910 338 D CB 1.900 42.748 40.800 0.080 0.000 1.199 338 D HN 0.411 nan 8.370 nan 0.000 0.426 339 R N 0.233 120.827 120.500 0.156 0.000 2.303 339 R HA -0.162 4.178 4.340 -0.000 0.000 0.225 339 R C 1.862 178.280 176.300 0.197 0.000 1.114 339 R CA 0.788 56.967 56.100 0.133 0.000 1.007 339 R CB -0.247 29.905 30.300 -0.246 0.000 0.861 339 R HN 0.301 nan 8.270 nan 0.000 0.471 340 R N 1.829 122.416 120.500 0.145 0.000 2.081 340 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 340 R C 1.454 177.852 176.300 0.162 0.000 1.131 340 R CA 1.655 57.831 56.100 0.128 0.000 0.960 340 R CB -0.113 30.243 30.300 0.094 0.000 0.856 340 R HN 0.120 nan 8.270 nan 0.000 0.436 341 K N -0.043 120.494 120.400 0.227 0.000 2.044 341 K HA -0.186 4.134 4.320 -0.000 0.000 0.210 341 K C 1.963 178.801 176.600 0.397 0.000 1.049 341 K CA 1.690 58.168 56.287 0.318 0.000 0.927 341 K CB -0.465 32.235 32.500 0.334 0.000 0.713 341 K HN 0.128 nan 8.250 nan 0.000 0.443 342 L N 1.907 123.394 121.223 0.440 0.000 2.027 342 L HA -0.153 4.187 4.340 -0.000 0.000 0.206 342 L C 1.847 178.722 176.870 0.008 0.000 1.074 342 L CA 1.790 56.778 54.840 0.246 0.000 0.745 342 L CB -0.353 41.909 42.059 0.337 0.000 0.898 342 L HN 0.117 nan 8.230 nan 0.000 0.433 343 E N -0.830 119.422 120.200 0.087 0.000 2.085 343 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 343 E C 2.199 178.765 176.600 -0.056 0.000 0.994 343 E CA 1.705 58.122 56.400 0.030 0.000 0.801 343 E CB -0.140 29.614 29.700 0.090 0.000 0.743 343 E HN 0.657 nan 8.360 nan 0.000 0.453 344 Q N -0.087 119.662 119.800 -0.085 0.000 2.020 344 Q HA -0.083 4.257 4.340 -0.000 0.000 0.198 344 Q C 2.343 178.110 176.000 -0.389 0.000 0.974 344 Q CA 1.069 56.746 55.803 -0.211 0.000 0.829 344 Q CB -0.162 28.434 28.738 -0.237 0.000 0.894 344 Q HN 0.250 nan 8.270 nan 0.000 0.433 345 A N 1.057 123.592 122.820 -0.475 0.000 1.948 345 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 345 A C 2.055 179.491 177.584 -0.247 0.000 1.177 345 A CA 1.268 53.003 52.037 -0.502 0.000 0.636 345 A CB -0.745 17.894 19.000 -0.602 0.000 0.815 345 A HN 0.302 nan 8.150 nan 0.000 0.449 346 L N -1.240 119.848 121.223 -0.226 0.000 2.056 346 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 346 L C 3.118 179.943 176.870 -0.075 0.000 1.078 346 L CA 0.985 55.745 54.840 -0.134 0.000 0.749 346 L CB -0.515 41.467 42.059 -0.127 0.000 0.901 346 L HN 0.458 nan 8.230 nan 0.000 0.433 347 A N -0.159 122.616 122.820 -0.074 0.000 1.898 347 A HA -0.271 4.049 4.320 -0.000 0.000 0.216 347 A C 2.143 179.760 177.584 0.054 0.000 1.181 347 A CA 1.464 53.480 52.037 -0.035 0.000 0.620 347 A CB -0.803 18.165 19.000 -0.053 0.000 0.819 347 A HN 0.417 nan 8.150 nan 0.000 0.442 348 F N 1.617 121.521 119.950 -0.077 0.000 2.134 348 F HA -0.139 4.388 4.527 -0.000 0.000 0.299 348 F C 2.307 178.215 175.800 0.180 0.000 1.097 348 F CA 2.260 60.309 58.000 0.081 0.000 1.264 348 F CB -0.765 38.215 39.000 -0.033 0.000 1.001 348 F HN 0.196 nan 8.300 nan 0.000 0.479 349 T N 1.335 115.865 114.554 -0.041 0.000 2.821 349 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 349 T C 2.180 176.795 174.700 -0.141 0.000 1.046 349 T CA 1.524 63.582 62.100 -0.069 0.000 1.139 349 T CB -0.443 68.460 68.868 0.057 0.000 0.871 349 T HN 0.255 nan 8.240 nan 0.000 0.454 350 L N 1.311 122.482 121.223 -0.086 0.000 2.141 350 L HA -0.054 4.286 4.340 -0.000 0.000 0.209 350 L C 2.830 179.646 176.870 -0.091 0.000 1.094 350 L CA 1.398 56.184 54.840 -0.091 0.000 0.763 350 L CB -0.671 41.344 42.059 -0.074 0.000 0.908 350 L HN 0.432 nan 8.230 nan 0.000 0.437 351 T N -5.363 109.166 114.554 -0.042 0.000 3.065 351 T HA 0.131 4.481 4.350 -0.000 0.000 0.252 351 T C 0.999 175.714 174.700 0.025 0.000 1.099 351 T CA -0.190 61.920 62.100 0.016 0.000 1.063 351 T CB 0.172 69.100 68.868 0.100 0.000 0.948 351 T HN 0.011 nan 8.240 nan 0.000 0.506 352 S N 2.232 117.858 115.700 -0.123 0.000 2.655 352 S HA 0.488 4.958 4.470 -0.000 0.000 0.265 352 S C 0.547 175.004 174.600 -0.238 0.000 1.240 352 S CA -0.968 57.093 58.200 -0.233 0.000 0.986 352 S CB 0.534 63.464 63.200 -0.449 0.000 0.985 352 S HN 0.617 nan 8.310 nan 0.000 0.562 353 R N 0.529 120.892 120.500 -0.228 0.000 2.531 353 R HA 0.678 5.018 4.340 -0.000 0.000 0.273 353 R C 0.443 176.556 176.300 -0.312 0.000 1.070 353 R CA 0.181 56.152 56.100 -0.216 0.000 1.112 353 R CB -0.830 29.392 30.300 -0.129 0.000 1.049 353 R HN 0.898 nan 8.270 nan 0.000 0.508 354 G N 0.071 108.713 108.800 -0.264 0.000 2.342 354 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.220 354 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.220 354 G C -1.649 173.092 174.900 -0.265 0.000 1.243 354 G CA -0.378 44.553 45.100 -0.281 0.000 1.083 354 G HN 0.569 nan 8.290 nan 0.000 0.500 355 V N 2.396 122.157 119.914 -0.256 0.000 2.313 355 V HA 0.528 4.648 4.120 -0.000 0.000 0.278 355 V C -2.090 173.898 176.094 -0.176 0.000 1.017 355 V CA -1.181 60.984 62.300 -0.225 0.000 0.823 355 V CB 1.590 33.247 31.823 -0.277 0.000 1.010 355 V HN 0.591 nan 8.190 nan 0.000 0.443 356 P HA 0.443 nan 4.420 nan 0.000 0.275 356 P C -0.756 176.559 177.300 0.025 0.000 1.227 356 P CA -0.066 62.982 63.100 -0.087 0.000 0.781 356 P CB 0.983 32.624 31.700 -0.098 0.000 0.906 357 A N 4.089 126.976 122.820 0.111 0.000 2.335 357 A HA 0.628 4.948 4.320 -0.000 0.000 0.304 357 A C -0.839 176.877 177.584 0.220 0.000 1.118 357 A CA -0.581 51.586 52.037 0.217 0.000 0.757 357 A CB 0.626 19.817 19.000 0.319 0.000 1.188 357 A HN 0.346 nan 8.150 nan 0.000 0.460 358 I N 2.766 123.455 120.570 0.198 0.000 2.339 358 I HA 0.158 4.328 4.170 -0.000 0.000 0.290 358 I C -0.579 175.597 176.117 0.099 0.000 0.994 358 I CA -0.511 60.883 61.300 0.158 0.000 1.191 358 I CB 0.979 39.090 38.000 0.184 0.000 1.343 358 I HN 0.701 nan 8.210 nan 0.000 0.458 359 Y N 8.920 129.186 120.300 -0.056 0.000 2.436 359 Y HA 0.131 4.680 4.550 -0.000 0.000 0.336 359 Y C 0.278 175.999 175.900 -0.298 0.000 1.049 359 Y CA -1.037 56.974 58.100 -0.149 0.000 1.294 359 Y CB 0.055 38.473 38.460 -0.071 0.000 1.179 359 Y HN 0.486 nan 8.280 nan 0.000 0.520 360 Y N 3.895 123.812 120.300 -0.639 0.000 2.986 360 Y HA 0.234 4.784 4.550 -0.000 0.000 0.342 360 Y C 1.189 176.899 175.900 -0.318 0.000 1.275 360 Y CA -0.048 57.667 58.100 -0.641 0.000 1.527 360 Y CB -0.078 38.061 38.460 -0.535 0.000 1.296 360 Y HN 0.951 nan 8.280 nan 0.000 0.628 361 G N 1.406 110.149 108.800 -0.094 0.000 2.205 361 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.261 361 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.261 361 G C 1.072 175.870 174.900 -0.170 0.000 0.980 361 G CA 0.545 45.539 45.100 -0.175 0.000 0.632 361 G HN 0.826 nan 8.290 nan 0.000 0.533 362 S N 0.857 116.469 115.700 -0.146 0.000 2.447 362 S HA -0.021 4.449 4.470 -0.000 0.000 0.233 362 S C 1.946 176.410 174.600 -0.227 0.000 1.006 362 S CA 1.479 59.604 58.200 -0.126 0.000 0.957 362 S CB -0.112 63.055 63.200 -0.055 0.000 0.773 362 S HN 0.847 nan 8.310 nan 0.000 0.507 363 E N 0.629 120.751 120.200 -0.129 0.000 2.476 363 E HA 0.004 4.354 4.350 -0.000 0.000 0.191 363 E C 0.195 176.673 176.600 -0.202 0.000 1.064 363 E CA 0.311 56.604 56.400 -0.177 0.000 0.866 363 E CB -0.018 29.697 29.700 0.026 0.000 0.952 363 E HN 0.360 nan 8.360 nan 0.000 0.492 364 Q N 0.170 119.856 119.800 -0.190 0.000 2.106 364 Q HA 0.099 4.439 4.340 -0.000 0.000 0.273 364 Q C -0.780 175.233 176.000 0.022 0.000 0.853 364 Q CA -0.662 55.123 55.803 -0.030 0.000 1.118 364 Q CB -0.264 28.479 28.738 0.009 0.000 1.240 364 Q HN 0.280 nan 8.270 nan 0.000 0.445 365 Y N -0.607 119.657 120.300 -0.061 0.000 3.220 365 Y HA -0.313 4.237 4.550 -0.000 0.000 0.214 365 Y C 0.591 176.509 175.900 0.031 0.000 1.166 365 Y CA 0.381 58.382 58.100 -0.165 0.000 1.264 365 Y CB -2.127 36.094 38.460 -0.398 0.000 1.324 365 Y HN 0.317 nan 8.280 nan 0.000 0.586 366 M N 0.389 120.045 119.600 0.094 0.000 2.260 366 M HA 0.059 4.539 4.480 -0.000 0.000 0.348 366 M C 0.820 177.234 176.300 0.190 0.000 1.342 366 M CA 0.941 56.298 55.300 0.095 0.000 1.040 366 M CB 0.571 33.141 32.600 -0.049 0.000 1.810 366 M HN 0.395 nan 8.290 nan 0.000 0.453 367 S N 1.585 117.388 115.700 0.171 0.000 2.664 367 S HA 0.954 5.424 4.470 -0.000 0.000 0.304 367 S C -0.444 174.194 174.600 0.063 0.000 1.099 367 S CA -0.138 58.140 58.200 0.130 0.000 1.003 367 S CB 1.874 65.123 63.200 0.082 0.000 1.092 367 S HN 0.966 nan 8.310 nan 0.000 0.525 368 G N 0.510 109.338 108.800 0.047 0.000 2.351 368 G HA2 0.443 4.403 3.960 -0.000 0.000 0.296 368 G HA3 0.443 4.403 3.960 -0.000 0.000 0.296 368 G C -0.156 174.768 174.900 0.040 0.000 1.685 368 G CA -0.176 44.944 45.100 0.034 0.000 0.936 368 G HN 1.009 nan 8.290 nan 0.000 0.714 369 G N 0.267 109.083 108.800 0.026 0.000 2.580 369 G HA2 0.446 4.406 3.960 -0.000 0.000 0.225 369 G HA3 0.446 4.406 3.960 -0.000 0.000 0.225 369 G C 0.399 175.322 174.900 0.039 0.000 1.521 369 G CA -0.450 44.666 45.100 0.027 0.000 1.068 369 G HN 0.693 nan 8.290 nan 0.000 0.564 370 N N 0.328 119.045 118.700 0.029 0.000 2.354 370 N HA 0.090 4.830 4.740 -0.000 0.000 0.246 370 N C -0.158 175.366 175.510 0.023 0.000 1.285 370 N CA -0.308 52.759 53.050 0.028 0.000 0.925 370 N CB 0.650 39.142 38.487 0.009 0.000 1.174 370 N HN 0.473 nan 8.380 nan 0.000 0.478 371 D N 0.548 120.964 120.400 0.027 0.000 2.648 371 D HA -0.058 4.581 4.640 -0.000 0.000 0.229 371 D C -1.430 174.882 176.300 0.020 0.000 1.119 371 D CA -0.557 53.465 54.000 0.035 0.000 0.850 371 D CB 0.623 41.449 40.800 0.043 0.000 1.169 371 D HN 0.316 nan 8.370 nan 0.000 0.489 372 P HA 0.040 nan 4.420 nan 0.000 0.255 372 P C 0.263 177.553 177.300 -0.017 0.000 1.248 372 P CA -0.020 63.091 63.100 0.019 0.000 0.807 372 P CB 0.466 32.169 31.700 0.004 0.000 1.150 373 D N 2.013 122.410 120.400 -0.005 0.000 2.133 373 D HA -0.162 4.478 4.640 -0.000 0.000 0.195 373 D C 1.192 177.495 176.300 0.005 0.000 0.997 373 D CA 1.366 55.363 54.000 -0.006 0.000 0.840 373 D CB -0.570 40.233 40.800 0.005 0.000 0.947 373 D HN 0.385 nan 8.370 nan 0.000 0.452 374 N N 0.292 119.014 118.700 0.037 0.000 2.501 374 N HA -0.077 4.662 4.740 -0.000 0.000 0.195 374 N C 0.222 175.775 175.510 0.070 0.000 1.213 374 N CA 0.174 53.278 53.050 0.091 0.000 0.864 374 N CB -0.192 38.391 38.487 0.161 0.000 0.999 374 N HN 0.098 nan 8.380 nan 0.000 0.454 375 R N -0.298 120.179 120.500 -0.038 0.000 2.776 375 R HA 0.446 4.786 4.340 -0.000 0.000 0.391 375 R C -0.371 175.858 176.300 -0.119 0.000 1.116 375 R CA -0.332 55.677 56.100 -0.151 0.000 1.056 375 R CB 0.857 30.961 30.300 -0.327 0.000 1.369 375 R HN 0.168 nan 8.270 nan 0.000 0.590 376 A N 1.111 123.897 122.820 -0.057 0.000 2.259 376 A HA 0.401 4.721 4.320 -0.000 0.000 0.278 376 A C -0.022 177.579 177.584 0.028 0.000 1.107 376 A CA -0.486 51.521 52.037 -0.049 0.000 0.828 376 A CB 0.450 19.424 19.000 -0.043 0.000 1.111 376 A HN 0.406 nan 8.150 nan 0.000 0.498 377 R N 0.168 120.670 120.500 0.002 0.000 2.490 377 R HA 0.337 4.676 4.340 -0.000 0.000 0.280 377 R C -0.618 175.706 176.300 0.041 0.000 1.077 377 R CA -0.435 55.686 56.100 0.036 0.000 1.065 377 R CB 0.232 30.525 30.300 -0.010 0.000 1.003 377 R HN 0.691 nan 8.270 nan 0.000 0.470 378 L N 7.420 128.678 121.223 0.059 0.000 2.597 378 L HA 0.073 4.413 4.340 -0.000 0.000 0.271 378 L C -1.118 175.648 176.870 -0.174 0.000 1.157 378 L CA -1.161 53.636 54.840 -0.072 0.000 0.928 378 L CB 1.133 43.057 42.059 -0.224 0.000 1.216 378 L HN 0.750 nan 8.230 nan 0.000 0.481 379 P HA -0.083 nan 4.420 nan 0.000 0.220 379 P C -0.015 177.222 177.300 -0.104 0.000 1.148 379 P CA 0.760 63.811 63.100 -0.083 0.000 0.803 379 P CB 0.329 32.005 31.700 -0.040 0.000 0.782 380 S N -2.065 113.507 115.700 -0.214 0.000 2.688 380 S HA 0.583 5.052 4.470 -0.000 0.000 0.275 380 S C -0.666 173.666 174.600 -0.447 0.000 1.175 380 S CA -0.684 57.415 58.200 -0.168 0.000 0.818 380 S CB 0.715 63.891 63.200 -0.040 0.000 1.157 380 S HN -0.095 nan 8.310 nan 0.000 0.482 381 F N 0.906 120.808 119.950 -0.081 0.000 2.777 381 F HA 0.427 4.954 4.527 -0.000 0.000 0.361 381 F C 0.856 176.695 175.800 0.066 0.000 1.254 381 F CA -0.510 57.404 58.000 -0.144 0.000 1.181 381 F CB 1.000 39.749 39.000 -0.418 0.000 1.082 381 F HN 0.597 nan 8.300 nan 0.000 0.510 382 S N 1.116 116.913 115.700 0.162 0.000 2.429 382 S HA 0.060 4.530 4.470 -0.000 0.000 0.292 382 S C 1.237 175.819 174.600 -0.030 0.000 1.183 382 S CA -0.112 58.134 58.200 0.078 0.000 1.088 382 S CB 0.025 63.254 63.200 0.048 0.000 1.018 382 S HN 0.421 nan 8.310 nan 0.000 0.511 383 T N 1.720 116.154 114.554 -0.200 0.000 3.565 383 T HA 0.078 4.428 4.350 -0.000 0.000 0.248 383 T C 1.046 175.363 174.700 -0.638 0.000 1.033 383 T CA 0.300 61.891 62.100 -0.849 0.000 0.952 383 T CB -0.908 67.534 68.868 -0.709 0.000 1.072 383 T HN 0.690 nan 8.240 nan 0.000 0.609 384 T N -2.619 111.778 114.554 -0.260 0.000 3.144 384 T HA 0.210 4.560 4.350 -0.000 0.000 0.290 384 T C 0.715 175.428 174.700 0.021 0.000 0.966 384 T CA -0.164 61.878 62.100 -0.097 0.000 0.907 384 T CB -0.175 68.663 68.868 -0.049 0.000 1.152 384 T HN 0.528 nan 8.240 nan 0.000 0.532 385 T N 0.093 114.696 114.554 0.082 0.000 2.860 385 T HA 0.255 4.605 4.350 -0.000 0.000 0.299 385 T C 1.436 176.265 174.700 0.215 0.000 1.045 385 T CA 0.002 62.222 62.100 0.199 0.000 1.071 385 T CB 1.011 70.068 68.868 0.314 0.000 0.985 385 T HN 0.072 nan 8.240 nan 0.000 0.537 386 T N 1.662 116.356 114.554 0.232 0.000 2.746 386 T HA -0.053 4.297 4.350 -0.000 0.000 0.267 386 T C 2.437 177.240 174.700 0.173 0.000 1.039 386 T CA 1.234 63.442 62.100 0.181 0.000 1.142 386 T CB -0.799 68.166 68.868 0.162 0.000 0.866 386 T HN 0.821 nan 8.240 nan 0.000 0.444 387 A N 0.425 123.368 122.820 0.205 0.000 1.978 387 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 387 A C 2.076 179.660 177.584 0.001 0.000 1.170 387 A CA 1.429 53.467 52.037 0.002 0.000 0.636 387 A CB -1.015 17.773 19.000 -0.353 0.000 0.810 387 A HN 0.627 nan 8.150 nan 0.000 0.448 388 Y N 0.353 120.627 120.300 -0.043 0.000 2.242 388 Y HA -0.210 4.340 4.550 -0.000 0.000 0.291 388 Y C 2.636 178.507 175.900 -0.049 0.000 1.137 388 Y CA 2.028 60.096 58.100 -0.054 0.000 1.181 388 Y CB 0.005 38.448 38.460 -0.029 0.000 0.989 388 Y HN 0.365 nan 8.280 nan 0.000 0.527 389 Q N -0.644 119.274 119.800 0.197 0.000 2.046 389 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 389 Q C 2.433 178.442 176.000 0.014 0.000 0.975 389 Q CA 1.708 57.581 55.803 0.117 0.000 0.836 389 Q CB -0.704 28.095 28.738 0.102 0.000 0.896 389 Q HN 0.429 nan 8.270 nan 0.000 0.428 390 V N 1.710 121.623 119.914 -0.001 0.000 2.255 390 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 390 V C 2.408 178.455 176.094 -0.078 0.000 1.051 390 V CA 1.745 64.022 62.300 -0.037 0.000 1.018 390 V CB -0.670 31.134 31.823 -0.032 0.000 0.641 390 V HN 0.253 nan 8.190 nan 0.000 0.445 391 I N -0.264 120.237 120.570 -0.115 0.000 2.208 391 I HA -0.323 3.847 4.170 -0.000 0.000 0.245 391 I C 2.696 178.708 176.117 -0.176 0.000 1.097 391 I CA 1.924 63.131 61.300 -0.154 0.000 1.363 391 I CB -0.455 37.420 38.000 -0.209 0.000 1.051 391 I HN 0.407 nan 8.210 nan 0.000 0.413 392 Q N 1.398 121.077 119.800 -0.202 0.000 2.135 392 Q HA -0.246 4.093 4.340 -0.000 0.000 0.204 392 Q C 2.047 177.993 176.000 -0.090 0.000 0.981 392 Q CA 1.716 57.420 55.803 -0.164 0.000 0.856 392 Q CB 0.115 28.801 28.738 -0.086 0.000 0.902 392 Q HN 0.488 nan 8.270 nan 0.000 0.425 393 K N -0.411 119.949 120.400 -0.067 0.000 2.186 393 K HA 0.032 4.352 4.320 -0.000 0.000 0.202 393 K C 2.042 178.601 176.600 -0.069 0.000 1.052 393 K CA 0.578 56.833 56.287 -0.054 0.000 0.965 393 K CB 0.246 32.721 32.500 -0.042 0.000 0.746 393 K HN 0.221 nan 8.250 nan 0.000 0.457 394 L N 0.241 121.415 121.223 -0.082 0.000 2.168 394 L HA 0.058 4.398 4.340 -0.000 0.000 0.203 394 L C 2.567 179.381 176.870 -0.093 0.000 1.078 394 L CA 0.544 55.332 54.840 -0.086 0.000 0.780 394 L CB -0.554 41.454 42.059 -0.085 0.000 0.939 394 L HN 0.107 nan 8.230 nan 0.000 0.451 395 A N 1.477 124.236 122.820 -0.102 0.000 1.903 395 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 395 A C -0.058 177.462 177.584 -0.107 0.000 1.191 395 A CA 2.182 54.155 52.037 -0.107 0.000 0.638 395 A CB -1.997 16.932 19.000 -0.118 0.000 0.823 395 A HN 0.328 nan 8.150 nan 0.000 0.451 396 P HA -0.047 nan 4.420 nan 0.000 0.234 396 P C 1.280 178.521 177.300 -0.099 0.000 1.167 396 P CA 0.582 63.625 63.100 -0.095 0.000 0.763 396 P CB -0.160 31.493 31.700 -0.078 0.000 0.835 397 L N -0.562 120.602 121.223 -0.098 0.000 2.201 397 L HA -0.068 4.272 4.340 -0.000 0.000 0.212 397 L C 2.847 179.639 176.870 -0.131 0.000 1.105 397 L CA 1.048 55.828 54.840 -0.099 0.000 0.775 397 L CB -0.621 41.386 42.059 -0.087 0.000 0.913 397 L HN -0.041 nan 8.230 nan 0.000 0.440 398 R N 0.439 120.847 120.500 -0.153 0.000 2.120 398 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 398 R C 1.950 178.111 176.300 -0.233 0.000 1.123 398 R CA 1.093 57.069 56.100 -0.208 0.000 0.975 398 R CB -0.100 30.077 30.300 -0.205 0.000 0.866 398 R HN 0.416 nan 8.270 nan 0.000 0.446 399 K N -0.316 119.976 120.400 -0.181 0.000 2.356 399 K HA 0.033 4.352 4.320 -0.000 0.000 0.195 399 K C 1.981 178.499 176.600 -0.137 0.000 1.037 399 K CA 0.893 57.079 56.287 -0.169 0.000 1.014 399 K CB 0.493 32.907 32.500 -0.143 0.000 0.815 399 K HN 0.121 nan 8.250 nan 0.000 0.507 400 S N 0.172 115.800 115.700 -0.121 0.000 2.468 400 S HA 0.033 4.503 4.470 -0.000 0.000 0.226 400 S C 0.795 175.339 174.600 -0.093 0.000 1.051 400 S CA -0.045 58.098 58.200 -0.094 0.000 0.943 400 S CB -0.052 63.102 63.200 -0.076 0.000 0.810 400 S HN 0.034 nan 8.310 nan 0.000 0.509 401 N N 2.627 121.262 118.700 -0.108 0.000 2.546 401 N HA 0.434 5.174 4.740 -0.000 0.000 0.238 401 N C -2.540 172.892 175.510 -0.131 0.000 0.984 401 N CA -2.304 50.690 53.050 -0.092 0.000 0.935 401 N CB 1.600 40.043 38.487 -0.074 0.000 1.122 401 N HN -0.054 nan 8.380 nan 0.000 0.510 402 P HA -0.073 nan 4.420 nan 0.000 0.221 402 P C 0.704 177.891 177.300 -0.189 0.000 1.145 402 P CA 0.876 63.888 63.100 -0.147 0.000 0.795 402 P CB 0.361 32.165 31.700 0.174 0.000 0.775 403 A N -0.759 122.060 122.820 -0.001 0.000 1.968 403 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 403 A C 2.040 179.593 177.584 -0.052 0.000 1.169 403 A CA 1.058 53.134 52.037 0.064 0.000 0.638 403 A CB -1.157 17.917 19.000 0.124 0.000 0.812 403 A HN 0.047 nan 8.150 nan 0.000 0.446 404 I N -0.249 120.248 120.570 -0.121 0.000 2.286 404 I HA -0.169 4.001 4.170 -0.000 0.000 0.245 404 I C 2.834 178.801 176.117 -0.250 0.000 1.104 404 I CA 1.445 62.661 61.300 -0.140 0.000 1.397 404 I CB -1.424 36.495 38.000 -0.135 0.000 1.072 404 I HN 0.362 nan 8.210 nan 0.000 0.417 405 A N 0.017 122.578 122.820 -0.433 0.000 1.855 405 A HA -0.140 4.180 4.320 -0.000 0.000 0.213 405 A C 1.967 179.135 177.584 -0.694 0.000 1.195 405 A CA 1.257 52.883 52.037 -0.685 0.000 0.610 405 A CB -0.688 17.663 19.000 -1.082 0.000 0.837 405 A HN 0.450 nan 8.150 nan 0.000 0.444 406 Y N -0.417 119.637 120.300 -0.409 0.000 2.444 406 Y HA 0.329 4.879 4.550 -0.000 0.000 0.252 406 Y C 1.793 177.575 175.900 -0.195 0.000 1.091 406 Y CA -0.587 57.246 58.100 -0.445 0.000 1.276 406 Y CB -0.210 37.643 38.460 -1.012 0.000 1.170 406 Y HN 0.314 nan 8.280 nan 0.000 0.517 407 G N 1.312 110.121 108.800 0.015 0.000 2.630 407 G HA2 0.228 4.188 3.960 -0.000 0.000 0.236 407 G HA3 0.228 4.188 3.960 -0.000 0.000 0.236 407 G C 0.299 175.258 174.900 0.097 0.000 1.248 407 G CA -0.064 45.141 45.100 0.175 0.000 0.844 407 G HN 0.282 nan 8.290 nan 0.000 0.588 408 S N -0.468 115.285 115.700 0.089 0.000 2.634 408 S HA 0.618 5.087 4.470 -0.000 0.000 0.261 408 S C 0.121 174.634 174.600 -0.145 0.000 1.271 408 S CA -0.447 57.720 58.200 -0.054 0.000 0.985 408 S CB 1.452 64.581 63.200 -0.118 0.000 0.968 408 S HN 0.608 nan 8.310 nan 0.000 0.568 409 T N 1.093 115.495 114.554 -0.253 0.000 2.841 409 T HA 0.551 4.900 4.350 -0.000 0.000 0.283 409 T C -1.316 173.213 174.700 -0.284 0.000 1.000 409 T CA -0.410 61.602 62.100 -0.147 0.000 0.977 409 T CB 0.710 69.543 68.868 -0.058 0.000 0.979 409 T HN 0.753 nan 8.240 nan 0.000 0.446 410 H N 0.944 120.125 119.070 0.185 0.000 2.934 410 H HA 0.365 4.921 4.556 -0.000 0.000 0.340 410 H C -0.674 174.783 175.328 0.215 0.000 1.008 410 H CA -1.073 55.077 56.048 0.169 0.000 1.317 410 H CB 1.265 31.116 29.762 0.148 0.000 1.670 410 H HN 0.625 nan 8.280 nan 0.000 0.516 411 E N 3.251 123.633 120.200 0.304 0.000 2.223 411 E HA 0.177 4.527 4.350 -0.000 0.000 0.282 411 E C 0.389 177.134 176.600 0.242 0.000 1.046 411 E CA -0.585 55.983 56.400 0.279 0.000 0.857 411 E CB 0.987 30.806 29.700 0.200 0.000 1.055 411 E HN 0.422 nan 8.360 nan 0.000 0.409 412 R N 2.748 123.411 120.500 0.272 0.000 2.223 412 R HA 0.185 4.525 4.340 -0.000 0.000 0.198 412 R C -0.620 175.858 176.300 0.297 0.000 0.984 412 R CA 0.320 56.569 56.100 0.248 0.000 1.018 412 R CB -0.100 30.352 30.300 0.254 0.000 0.945 412 R HN 0.759 nan 8.270 nan 0.000 0.479 413 W N -0.223 121.143 121.300 0.111 0.000 3.425 413 W HA 0.545 5.205 4.660 -0.000 0.000 0.318 413 W C -1.527 175.022 176.519 0.049 0.000 1.201 413 W CA -0.605 56.784 57.345 0.073 0.000 1.212 413 W CB 1.237 30.738 29.460 0.068 0.000 1.355 413 W HN -0.196 nan 8.180 nan 0.000 0.515 414 I N 5.080 125.457 120.570 -0.321 0.000 3.006 414 I HA 0.506 4.676 4.170 -0.000 0.000 0.306 414 I C -1.349 174.455 176.117 -0.522 0.000 1.250 414 I CA -0.570 60.573 61.300 -0.262 0.000 0.996 414 I CB 2.135 39.959 38.000 -0.294 0.000 1.261 414 I HN 0.613 nan 8.210 nan 0.000 0.442 415 N N 2.950 121.446 118.700 -0.339 0.000 3.106 415 N HA 0.211 4.951 4.740 -0.000 0.000 0.253 415 N C -0.371 174.972 175.510 -0.278 0.000 1.506 415 N CA -0.587 52.335 53.050 -0.213 0.000 0.876 415 N CB 1.646 40.222 38.487 0.149 0.000 1.452 415 N HN 0.648 nan 8.380 nan 0.000 0.542 416 N N 0.136 118.793 118.700 -0.072 0.000 2.120 416 N HA -0.060 4.680 4.740 -0.000 0.000 0.188 416 N C 0.036 175.512 175.510 -0.058 0.000 1.024 416 N CA 1.683 54.718 53.050 -0.026 0.000 0.852 416 N CB 0.083 38.606 38.487 0.061 0.000 1.003 416 N HN 0.420 nan 8.380 nan 0.000 0.424 417 D N -1.060 119.333 120.400 -0.012 0.000 2.469 417 D HA 0.092 4.732 4.640 -0.000 0.000 0.213 417 D C -0.255 176.065 176.300 0.034 0.000 1.135 417 D CA 0.039 54.039 54.000 0.001 0.000 0.834 417 D CB 1.154 41.973 40.800 0.032 0.000 1.009 417 D HN 0.095 nan 8.370 nan 0.000 0.507 418 V N -0.184 119.770 119.914 0.067 0.000 2.876 418 V HA 0.655 4.775 4.120 -0.000 0.000 0.312 418 V C -1.529 174.662 176.094 0.162 0.000 1.085 418 V CA -0.777 61.607 62.300 0.140 0.000 0.945 418 V CB 3.048 34.984 31.823 0.188 0.000 1.017 418 V HN -0.063 nan 8.190 nan 0.000 0.428 419 I N 5.147 125.834 120.570 0.196 0.000 2.686 419 I HA 0.616 4.786 4.170 -0.000 0.000 0.295 419 I C -1.451 174.845 176.117 0.298 0.000 1.114 419 I CA -0.871 60.572 61.300 0.238 0.000 1.038 419 I CB 2.054 40.173 38.000 0.198 0.000 1.238 419 I HN 0.726 nan 8.210 nan 0.000 0.420 420 I N 7.813 128.588 120.570 0.341 0.000 2.447 420 I HA 0.356 4.526 4.170 -0.000 0.000 0.287 420 I C -1.366 174.943 176.117 0.319 0.000 1.023 420 I CA -0.657 60.807 61.300 0.274 0.000 1.083 420 I CB 1.613 39.814 38.000 0.336 0.000 1.245 420 I HN 0.468 nan 8.210 nan 0.000 0.434 421 Y N 2.969 123.414 120.300 0.242 0.000 2.570 421 Y HA 0.781 5.331 4.550 -0.001 0.000 0.345 421 Y C -0.836 175.189 175.900 0.209 0.000 1.014 421 Y CA -1.149 57.084 58.100 0.223 0.000 1.063 421 Y CB 1.351 39.941 38.460 0.217 0.000 1.272 421 Y HN 0.484 nan 8.280 nan 0.000 0.477 422 E N 1.731 122.179 120.200 0.413 0.000 2.238 422 E HA 0.532 4.882 4.350 -0.000 0.000 0.267 422 E C -1.291 175.497 176.600 0.313 0.000 0.887 422 E CA -1.188 55.398 56.400 0.310 0.000 0.769 422 E CB 1.129 31.003 29.700 0.290 0.000 1.187 422 E HN 0.602 nan 8.360 nan 0.000 0.416 423 R N 3.278 123.923 120.500 0.242 0.000 2.439 423 R HA 0.380 4.720 4.340 -0.000 0.000 0.310 423 R C -0.954 175.454 176.300 0.180 0.000 0.955 423 R CA -0.656 55.554 56.100 0.183 0.000 0.853 423 R CB 1.432 31.822 30.300 0.150 0.000 1.171 423 R HN 0.617 nan 8.270 nan 0.000 0.449 424 K N 1.382 121.904 120.400 0.203 0.000 2.501 424 K HA 0.491 4.811 4.320 -0.000 0.000 0.252 424 K C -1.467 175.309 176.600 0.294 0.000 0.934 424 K CA -0.719 55.703 56.287 0.226 0.000 0.797 424 K CB 1.931 34.565 32.500 0.223 0.000 1.270 424 K HN 0.324 nan 8.250 nan 0.000 0.431 425 F N 2.939 122.941 119.950 0.087 0.000 2.691 425 F HA 0.416 4.943 4.527 -0.000 0.000 0.371 425 F C 0.515 176.353 175.800 0.063 0.000 1.159 425 F CA 0.721 58.772 58.000 0.085 0.000 1.174 425 F CB 0.946 40.008 39.000 0.103 0.000 1.419 425 F HN 1.082 nan 8.300 nan 0.000 0.514 426 G N 4.686 113.396 108.800 -0.151 0.000 2.652 426 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.278 426 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.278 426 G C 0.847 175.741 174.900 -0.009 0.000 1.263 426 G CA 0.364 45.368 45.100 -0.160 0.000 0.966 426 G HN 0.481 nan 8.290 nan 0.000 0.544 427 N N 2.231 120.939 118.700 0.014 0.000 2.356 427 N HA 0.059 4.799 4.740 -0.000 0.000 0.178 427 N C 0.368 175.957 175.510 0.132 0.000 1.075 427 N CA 0.174 53.279 53.050 0.091 0.000 0.889 427 N CB -0.060 38.483 38.487 0.093 0.000 0.999 427 N HN 0.539 nan 8.380 nan 0.000 0.464 428 N N 1.362 120.116 118.700 0.090 0.000 2.513 428 N HA 0.151 4.891 4.740 -0.000 0.000 0.268 428 N C -0.363 175.228 175.510 0.134 0.000 1.180 428 N CA 0.273 53.372 53.050 0.081 0.000 0.948 428 N CB 1.905 40.449 38.487 0.095 0.000 1.083 428 N HN -0.198 nan 8.380 nan 0.000 0.455 429 V N 0.063 120.052 119.914 0.124 0.000 3.007 429 V HA 0.820 4.940 4.120 -0.000 0.000 0.311 429 V C -0.582 175.556 176.094 0.074 0.000 1.120 429 V CA -1.012 61.359 62.300 0.118 0.000 0.980 429 V CB 1.933 33.826 31.823 0.117 0.000 1.033 429 V HN 0.788 nan 8.190 nan 0.000 0.429 430 A N 2.354 125.221 122.820 0.078 0.000 2.466 430 A HA 0.802 5.122 4.320 -0.000 0.000 0.284 430 A C -1.343 176.281 177.584 0.066 0.000 1.049 430 A CA -0.423 51.645 52.037 0.051 0.000 0.760 430 A CB 1.593 20.613 19.000 0.032 0.000 1.274 430 A HN 0.735 nan 8.150 nan 0.000 0.412 431 V N 2.377 122.336 119.914 0.075 0.000 2.483 431 V HA 0.648 4.768 4.120 -0.000 0.000 0.295 431 V C -0.312 175.751 176.094 -0.052 0.000 1.035 431 V CA -0.561 61.796 62.300 0.095 0.000 0.896 431 V CB 1.632 33.618 31.823 0.272 0.000 0.986 431 V HN 0.693 nan 8.190 nan 0.000 0.447 432 V N 3.413 123.146 119.914 -0.302 0.000 2.483 432 V HA 0.826 4.946 4.120 -0.000 0.000 0.297 432 V C 0.112 175.976 176.094 -0.382 0.000 1.027 432 V CA -0.556 61.449 62.300 -0.492 0.000 0.855 432 V CB 1.619 32.982 31.823 -0.767 0.000 0.995 432 V HN 1.007 nan 8.190 nan 0.000 0.424 433 A N 6.172 128.858 122.820 -0.224 0.000 2.330 433 A HA 0.974 5.294 4.320 -0.000 0.000 0.327 433 A C -0.841 176.744 177.584 0.001 0.000 1.155 433 A CA -0.549 51.491 52.037 0.004 0.000 0.803 433 A CB 0.951 20.084 19.000 0.221 0.000 1.208 433 A HN 0.790 nan 8.150 nan 0.000 0.477 434 I N 2.014 122.644 120.570 0.100 0.000 2.571 434 I HA 0.273 4.442 4.170 -0.000 0.000 0.289 434 I C -0.919 175.288 176.117 0.149 0.000 1.115 434 I CA -0.715 60.660 61.300 0.124 0.000 1.045 434 I CB 2.429 40.552 38.000 0.204 0.000 1.238 434 I HN 0.650 nan 8.210 nan 0.000 0.424 435 N N 5.065 123.840 118.700 0.125 0.000 2.476 435 N HA 0.292 5.032 4.740 -0.000 0.000 0.257 435 N C 0.629 176.217 175.510 0.129 0.000 0.970 435 N CA -0.796 52.322 53.050 0.114 0.000 0.938 435 N CB 1.172 39.710 38.487 0.085 0.000 1.144 435 N HN 0.651 nan 8.380 nan 0.000 0.500 436 R N 2.420 123.007 120.500 0.146 0.000 2.240 436 R HA 0.115 4.455 4.340 -0.000 0.000 0.203 436 R C 0.244 176.613 176.300 0.114 0.000 1.011 436 R CA 0.041 56.245 56.100 0.174 0.000 1.007 436 R CB -0.095 30.322 30.300 0.194 0.000 0.911 436 R HN 0.306 nan 8.270 nan 0.000 0.468 437 N N 1.020 119.769 118.700 0.083 0.000 2.513 437 N HA -0.009 4.731 4.740 -0.000 0.000 0.268 437 N C 0.398 175.946 175.510 0.063 0.000 1.180 437 N CA 0.152 53.241 53.050 0.064 0.000 0.948 437 N CB 0.919 39.437 38.487 0.052 0.000 1.083 437 N HN 0.183 nan 8.380 nan 0.000 0.455 438 M N 2.374 122.007 119.600 0.056 0.000 2.414 438 M HA 0.104 4.583 4.480 -0.000 0.000 0.251 438 M C 0.786 177.111 176.300 0.041 0.000 1.116 438 M CA 0.467 55.798 55.300 0.051 0.000 1.056 438 M CB -0.842 31.789 32.600 0.052 0.000 1.388 438 M HN 0.499 nan 8.290 nan 0.000 0.487 439 N N 0.699 119.421 118.700 0.037 0.000 2.428 439 N HA -0.003 4.737 4.740 -0.000 0.000 0.181 439 N C 0.454 175.982 175.510 0.030 0.000 1.028 439 N CA 0.761 53.830 53.050 0.031 0.000 0.877 439 N CB 0.415 38.918 38.487 0.027 0.000 1.064 439 N HN 0.298 nan 8.380 nan 0.000 0.434 440 T N -0.123 114.451 114.554 0.032 0.000 2.829 440 T HA 0.508 4.858 4.350 -0.000 0.000 0.280 440 T C -2.917 171.802 174.700 0.031 0.000 0.999 440 T CA -2.256 59.862 62.100 0.030 0.000 0.983 440 T CB 2.359 71.245 68.868 0.029 0.000 0.968 440 T HN -0.228 nan 8.240 nan 0.000 0.446 441 P HA 0.481 nan 4.420 nan 0.000 0.273 441 P C -1.113 176.188 177.300 0.003 0.000 1.250 441 P CA -0.592 62.518 63.100 0.018 0.000 0.793 441 P CB 0.371 32.080 31.700 0.014 0.000 1.011 442 A N 0.728 123.531 122.820 -0.028 0.000 2.340 442 A HA 0.506 4.825 4.320 -0.000 0.000 0.297 442 A C -0.201 177.264 177.584 -0.198 0.000 1.195 442 A CA -0.441 51.551 52.037 -0.076 0.000 0.769 442 A CB 0.309 19.267 19.000 -0.070 0.000 1.163 442 A HN 0.453 nan 8.150 nan 0.000 0.472 443 S N 2.187 117.786 115.700 -0.167 0.000 2.448 443 S HA 0.530 5.000 4.470 -0.000 0.000 0.279 443 S C -0.267 174.081 174.600 -0.420 0.000 1.195 443 S CA -0.222 57.831 58.200 -0.244 0.000 1.051 443 S CB -0.044 63.089 63.200 -0.113 0.000 0.948 443 S HN 0.403 nan 8.310 nan 0.000 0.493 444 I N 4.062 124.179 120.570 -0.755 0.000 2.304 444 I HA 0.292 4.462 4.170 -0.000 0.000 0.291 444 I C 0.686 176.474 176.117 -0.547 0.000 1.018 444 I CA 0.134 60.808 61.300 -1.043 0.000 1.260 444 I CB 1.319 38.360 38.000 -1.598 0.000 1.390 444 I HN 0.827 nan 8.210 nan 0.000 0.475 445 T N 2.178 116.609 114.554 -0.205 0.000 2.779 445 T HA 0.664 5.014 4.350 -0.000 0.000 0.280 445 T C 0.416 175.196 174.700 0.133 0.000 0.987 445 T CA -0.624 61.473 62.100 -0.005 0.000 0.966 445 T CB 1.417 70.328 68.868 0.072 0.000 0.933 445 T HN 1.103 nan 8.240 nan 0.000 0.442 446 G N 2.026 110.873 108.800 0.080 0.000 2.415 446 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.283 446 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.283 446 G C -0.475 174.537 174.900 0.186 0.000 1.014 446 G CA -0.094 45.078 45.100 0.120 0.000 1.323 446 G HN 1.202 nan 8.290 nan 0.000 0.502 447 L N 2.307 123.609 121.223 0.132 0.000 2.280 447 L HA 0.783 5.123 4.340 -0.000 0.000 0.287 447 L C -0.034 176.914 176.870 0.130 0.000 1.023 447 L CA -0.966 53.981 54.840 0.179 0.000 0.819 447 L CB 1.964 44.090 42.059 0.112 0.000 1.212 447 L HN 0.183 nan 8.230 nan 0.000 0.420 448 V N 4.493 124.490 119.914 0.138 0.000 2.483 448 V HA 0.795 4.915 4.120 -0.000 0.000 0.295 448 V C 0.399 176.549 176.094 0.094 0.000 1.035 448 V CA 0.071 62.426 62.300 0.090 0.000 0.896 448 V CB 1.667 33.534 31.823 0.073 0.000 0.986 448 V HN 0.990 nan 8.190 nan 0.000 0.447 449 T N 0.355 114.948 114.554 0.064 0.000 2.716 449 T HA 0.366 4.716 4.350 -0.000 0.000 0.286 449 T C 0.369 175.093 174.700 0.040 0.000 1.052 449 T CA -0.430 61.709 62.100 0.065 0.000 1.024 449 T CB 1.762 70.662 68.868 0.054 0.000 1.349 449 T HN 0.279 nan 8.240 nan 0.000 0.525 450 S N -0.289 115.437 115.700 0.043 0.000 2.557 450 S HA 0.352 4.822 4.470 -0.000 0.000 0.223 450 S C 0.480 175.083 174.600 0.006 0.000 0.969 450 S CA -0.461 57.760 58.200 0.035 0.000 0.927 450 S CB -0.569 62.671 63.200 0.067 0.000 0.806 450 S HN 0.422 nan 8.310 nan 0.000 0.489 451 L N 3.969 125.173 121.223 -0.032 0.000 2.416 451 L HA 0.268 4.608 4.340 -0.000 0.000 0.272 451 L C -1.983 174.844 176.870 -0.071 0.000 1.161 451 L CA -1.641 53.132 54.840 -0.112 0.000 0.845 451 L CB 0.418 42.343 42.059 -0.223 0.000 1.119 451 L HN 0.026 nan 8.230 nan 0.000 0.464 452 P HA 0.099 nan 4.420 nan 0.000 0.278 452 P C -0.742 176.543 177.300 -0.026 0.000 1.258 452 P CA -0.861 62.169 63.100 -0.117 0.000 0.811 452 P CB 0.661 32.204 31.700 -0.262 0.000 1.063 453 R N 0.338 120.812 120.500 -0.044 0.000 2.474 453 R HA 0.240 4.580 4.340 -0.000 0.000 0.290 453 R C 0.434 176.674 176.300 -0.101 0.000 0.918 453 R CA 1.653 57.722 56.100 -0.052 0.000 1.130 453 R CB -0.840 29.424 30.300 -0.059 0.000 0.881 453 R HN 0.884 nan 8.270 nan 0.000 0.416 454 G N 1.160 109.866 108.800 -0.156 0.000 2.327 454 G HA2 0.178 4.138 3.960 -0.000 0.000 0.291 454 G HA3 0.178 4.138 3.960 -0.000 0.000 0.291 454 G C -1.594 173.057 174.900 -0.416 0.000 1.290 454 G CA -0.214 44.668 45.100 -0.363 0.000 0.857 454 G HN 0.706 nan 8.290 nan 0.000 0.520 455 S N -0.588 114.774 115.700 -0.563 0.000 2.746 455 S HA 0.637 5.107 4.470 -0.000 0.000 0.273 455 S C -1.279 173.051 174.600 -0.450 0.000 1.172 455 S CA -0.687 57.280 58.200 -0.388 0.000 1.116 455 S CB 0.730 63.792 63.200 -0.230 0.000 1.057 455 S HN 0.697 nan 8.310 nan 0.000 0.483 456 Y N 2.295 122.519 120.300 -0.126 0.000 2.316 456 Y HA 0.375 4.925 4.550 -0.001 0.000 0.331 456 Y C 0.824 176.784 175.900 0.101 0.000 1.083 456 Y CA -0.568 57.531 58.100 -0.001 0.000 1.206 456 Y CB 0.702 39.187 38.460 0.041 0.000 1.195 456 Y HN 0.628 nan 8.280 nan 0.000 0.497 457 N N 1.685 120.546 118.700 0.268 0.000 2.529 457 N HA 0.056 4.795 4.740 -0.000 0.000 0.278 457 N C -1.007 174.695 175.510 0.321 0.000 1.146 457 N CA -0.716 52.475 53.050 0.235 0.000 0.980 457 N CB 0.457 39.017 38.487 0.122 0.000 1.124 457 N HN 0.549 nan 8.380 nan 0.000 0.458 458 D N 1.137 121.684 120.400 0.246 0.000 2.487 458 D HA -0.041 4.598 4.640 -0.000 0.000 0.243 458 D C 0.818 177.104 176.300 -0.023 0.000 1.154 458 D CA -0.031 53.976 54.000 0.012 0.000 0.876 458 D CB 0.876 41.665 40.800 -0.019 0.000 1.161 458 D HN 0.209 nan 8.370 nan 0.000 0.478 459 V N 4.624 124.480 119.914 -0.096 0.000 2.548 459 V HA -0.171 3.949 4.120 -0.000 0.000 0.249 459 V C 2.353 178.407 176.094 -0.067 0.000 1.055 459 V CA 0.981 63.247 62.300 -0.057 0.000 1.065 459 V CB -0.461 31.319 31.823 -0.071 0.000 0.681 459 V HN 0.612 nan 8.190 nan 0.000 0.462 460 L N 0.731 121.890 121.223 -0.107 0.000 2.465 460 L HA 0.120 4.460 4.340 -0.000 0.000 0.224 460 L C 1.793 178.638 176.870 -0.043 0.000 1.145 460 L CA 0.926 55.718 54.840 -0.081 0.000 0.834 460 L CB -0.750 41.243 42.059 -0.109 0.000 0.944 460 L HN 0.580 nan 8.230 nan 0.000 0.451 461 G N -0.161 108.621 108.800 -0.030 0.000 2.249 461 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.273 461 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.273 461 G C 0.992 175.893 174.900 0.001 0.000 1.036 461 G CA 0.349 45.447 45.100 -0.004 0.000 0.824 461 G HN 0.669 nan 8.290 nan 0.000 0.504 462 G N -0.583 108.213 108.800 -0.007 0.000 2.220 462 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.269 462 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.269 462 G C 1.457 176.360 174.900 0.004 0.000 0.977 462 G CA 1.327 46.430 45.100 0.004 0.000 0.634 462 G HN 1.998 nan 8.290 nan 0.000 0.539 463 I N -2.523 118.048 120.570 0.001 0.000 2.567 463 I HA 0.117 4.287 4.170 -0.000 0.000 0.257 463 I C 1.667 177.790 176.117 0.009 0.000 1.184 463 I CA 1.010 62.316 61.300 0.010 0.000 1.451 463 I CB -0.275 37.735 38.000 0.016 0.000 1.089 463 I HN 0.144 nan 8.210 nan 0.000 0.441 464 L N 1.826 123.046 121.223 -0.005 0.000 2.700 464 L HA 0.248 4.588 4.340 -0.000 0.000 0.234 464 L C 0.219 177.089 176.870 0.001 0.000 1.156 464 L CA 0.491 55.328 54.840 -0.005 0.000 0.946 464 L CB -1.648 40.394 42.059 -0.029 0.000 1.216 464 L HN 0.528 nan 8.230 nan 0.000 0.493 465 N N -0.356 118.350 118.700 0.009 0.000 2.815 465 N HA -0.144 4.596 4.740 -0.000 0.000 0.249 465 N C 0.716 176.244 175.510 0.030 0.000 1.114 465 N CA 0.358 53.423 53.050 0.025 0.000 0.717 465 N CB -1.013 37.495 38.487 0.035 0.000 1.074 465 N HN 0.454 nan 8.380 nan 0.000 0.555 466 G N 0.288 109.091 108.800 0.005 0.000 2.356 466 G HA2 0.469 4.428 3.960 -0.000 0.000 0.298 466 G HA3 0.469 4.428 3.960 -0.000 0.000 0.298 466 G C 0.269 175.211 174.900 0.070 0.000 1.145 466 G CA -0.394 44.707 45.100 0.003 0.000 0.850 466 G HN 0.391 nan 8.290 nan 0.000 0.487 467 N N -0.323 118.470 118.700 0.155 0.000 2.476 467 N HA 0.579 5.318 4.740 -0.000 0.000 0.287 467 N C 0.266 175.955 175.510 0.298 0.000 1.262 467 N CA -0.571 52.574 53.050 0.158 0.000 0.980 467 N CB 0.527 39.063 38.487 0.082 0.000 1.163 467 N HN 0.473 nan 8.380 nan 0.000 0.592 468 T N -2.591 112.038 114.554 0.125 0.000 2.929 468 T HA 0.512 4.862 4.350 -0.000 0.000 0.284 468 T C -0.514 174.013 174.700 -0.288 0.000 1.014 468 T CA -0.883 61.271 62.100 0.091 0.000 1.051 468 T CB 0.794 69.677 68.868 0.024 0.000 1.028 468 T HN 0.397 nan 8.240 nan 0.000 0.485 469 L N 2.075 122.936 121.223 -0.603 0.000 2.305 469 L HA 0.492 4.832 4.340 -0.000 0.000 0.284 469 L C -0.109 176.506 176.870 -0.425 0.000 1.013 469 L CA -0.156 54.166 54.840 -0.864 0.000 0.819 469 L CB 1.684 42.759 42.059 -1.641 0.000 1.227 469 L HN 0.895 nan 8.230 nan 0.000 0.417 470 T N 4.754 119.114 114.554 -0.324 0.000 2.747 470 T HA 0.368 4.718 4.350 -0.000 0.000 0.301 470 T C -0.250 174.361 174.700 -0.148 0.000 0.952 470 T CA -0.231 61.750 62.100 -0.198 0.000 0.983 470 T CB 0.395 69.175 68.868 -0.147 0.000 0.930 470 T HN 0.295 nan 8.240 nan 0.000 0.494 471 V N 4.391 124.247 119.914 -0.098 0.000 2.348 471 V HA 0.508 4.628 4.120 -0.000 0.000 0.270 471 V C 1.135 177.205 176.094 -0.040 0.000 1.037 471 V CA -0.434 61.843 62.300 -0.038 0.000 0.872 471 V CB 0.976 32.836 31.823 0.062 0.000 1.002 471 V HN 0.964 nan 8.190 nan 0.000 0.464 472 G N 3.639 112.417 108.800 -0.036 0.000 2.873 472 G HA2 0.534 4.494 3.960 -0.000 0.000 0.170 472 G HA3 0.534 4.494 3.960 -0.000 0.000 0.170 472 G C 0.205 175.091 174.900 -0.024 0.000 1.608 472 G CA 0.063 45.143 45.100 -0.033 0.000 1.084 472 G HN 0.965 nan 8.290 nan 0.000 0.563 473 A N -1.580 121.229 122.820 -0.018 0.000 2.320 473 A HA 0.570 4.890 4.320 -0.000 0.000 0.287 473 A C 1.057 178.638 177.584 -0.006 0.000 1.181 473 A CA 0.749 52.777 52.037 -0.014 0.000 0.831 473 A CB -0.072 18.921 19.000 -0.012 0.000 1.102 473 A HN 2.398 nan 8.150 nan 0.000 0.513 474 G N 1.236 110.033 108.800 -0.005 0.000 2.142 474 G HA2 0.191 4.151 3.960 -0.000 0.000 0.225 474 G HA3 0.191 4.151 3.960 -0.000 0.000 0.225 474 G C 1.493 176.396 174.900 0.005 0.000 1.015 474 G CA 0.784 45.885 45.100 0.001 0.000 0.716 474 G HN 2.700 nan 8.290 nan 0.000 0.508 475 G N -1.329 107.471 108.800 0.000 0.000 2.205 475 G HA2 0.098 4.058 3.960 -0.000 0.000 0.269 475 G HA3 0.098 4.058 3.960 -0.000 0.000 0.269 475 G C 0.978 175.885 174.900 0.011 0.000 0.977 475 G CA 1.473 46.575 45.100 0.004 0.000 0.652 475 G HN 2.388 nan 8.290 nan 0.000 0.539 476 A N -0.142 122.685 122.820 0.012 0.000 2.401 476 A HA 0.832 5.152 4.320 -0.000 0.000 0.259 476 A C 0.666 178.252 177.584 0.003 0.000 1.103 476 A CA 0.977 53.026 52.037 0.019 0.000 0.789 476 A CB 0.765 19.777 19.000 0.021 0.000 1.035 476 A HN 2.015 nan 8.150 nan 0.000 0.491 477 A N 2.079 124.905 122.820 0.009 0.000 2.320 477 A HA 0.701 5.021 4.320 -0.000 0.000 0.334 477 A C 0.481 178.074 177.584 0.015 0.000 1.147 477 A CA -0.459 51.569 52.037 -0.016 0.000 0.820 477 A CB 0.566 19.537 19.000 -0.048 0.000 1.218 477 A HN 1.083 nan 8.150 nan 0.000 0.482 478 S N 1.863 117.562 115.700 -0.001 0.000 2.572 478 S HA 0.157 4.626 4.470 -0.000 0.000 0.279 478 S C 0.323 174.979 174.600 0.093 0.000 1.341 478 S CA -0.697 57.517 58.200 0.023 0.000 1.043 478 S CB 0.075 63.275 63.200 -0.001 0.000 0.887 478 S HN 0.710 nan 8.310 nan 0.000 0.516 479 N N 1.463 120.198 118.700 0.059 0.000 2.344 479 N HA 0.443 5.183 4.740 -0.000 0.000 0.236 479 N C -0.384 175.214 175.510 0.147 0.000 1.279 479 N CA 0.200 53.268 53.050 0.031 0.000 0.882 479 N CB -0.245 38.224 38.487 -0.030 0.000 1.110 479 N HN 0.683 nan 8.380 nan 0.000 0.436 480 F N -3.409 116.476 119.950 -0.108 0.000 2.741 480 F HA 0.484 5.011 4.527 0.000 0.000 0.311 480 F C -0.960 174.786 175.800 -0.091 0.000 1.149 480 F CA -1.075 56.873 58.000 -0.087 0.000 0.930 480 F CB 0.995 39.943 39.000 -0.087 0.000 1.312 480 F HN 0.083 nan 8.300 nan 0.000 0.450 481 T N 3.143 117.733 114.554 0.061 0.000 2.758 481 T HA 0.490 4.840 4.350 -0.000 0.000 0.285 481 T C -1.106 173.663 174.700 0.114 0.000 0.981 481 T CA -0.333 61.746 62.100 -0.034 0.000 0.965 481 T CB 1.137 70.011 68.868 0.010 0.000 0.927 481 T HN 0.647 nan 8.240 nan 0.000 0.448 482 L N 4.578 125.811 121.223 0.017 0.000 2.283 482 L HA 0.610 4.949 4.340 -0.000 0.000 0.287 482 L C 0.638 177.558 176.870 0.083 0.000 1.073 482 L CA -0.280 54.649 54.840 0.148 0.000 0.822 482 L CB -0.252 41.868 42.059 0.102 0.000 1.186 482 L HN 0.782 nan 8.230 nan 0.000 0.436 483 A N 8.000 130.880 122.820 0.100 0.000 2.507 483 A HA 0.351 4.670 4.320 -0.000 0.000 0.235 483 A C -2.194 175.426 177.584 0.060 0.000 1.070 483 A CA -0.784 51.294 52.037 0.069 0.000 0.768 483 A CB -0.862 18.178 19.000 0.067 0.000 1.011 483 A HN 0.646 nan 8.150 nan 0.000 0.502 484 P HA 0.107 nan 4.420 nan 0.000 0.265 484 P C 0.847 178.181 177.300 0.057 0.000 1.193 484 P CA 1.608 64.739 63.100 0.051 0.000 0.765 484 P CB 0.375 32.101 31.700 0.044 0.000 0.823 485 G N 2.158 110.998 108.800 0.066 0.000 2.187 485 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.261 485 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.261 485 G C 0.601 175.536 174.900 0.058 0.000 1.000 485 G CA 0.001 45.143 45.100 0.070 0.000 0.718 485 G HN 0.906 nan 8.290 nan 0.000 0.519 486 G N -1.233 107.604 108.800 0.062 0.000 2.527 486 G HA2 0.601 4.561 3.960 -0.000 0.000 0.248 486 G HA3 0.601 4.561 3.960 -0.000 0.000 0.248 486 G C -0.160 174.760 174.900 0.034 0.000 1.231 486 G CA 0.790 45.922 45.100 0.054 0.000 0.838 486 G HN 0.813 nan 8.290 nan 0.000 0.570 487 T N -0.274 114.273 114.554 -0.013 0.000 3.193 487 T HA 0.635 4.985 4.350 -0.000 0.000 0.332 487 T C -0.478 174.111 174.700 -0.186 0.000 1.208 487 T CA 0.099 62.154 62.100 -0.076 0.000 1.080 487 T CB 1.671 70.499 68.868 -0.068 0.000 1.180 487 T HN 1.214 nan 8.240 nan 0.000 0.469 488 A N 2.120 124.718 122.820 -0.371 0.000 2.539 488 A HA 0.927 5.247 4.320 -0.000 0.000 0.296 488 A C -1.480 175.526 177.584 -0.964 0.000 1.073 488 A CA -0.753 50.837 52.037 -0.744 0.000 0.700 488 A CB 1.698 20.049 19.000 -1.081 0.000 1.296 488 A HN 0.697 nan 8.150 nan 0.000 0.405 489 V N 1.615 120.941 119.914 -0.980 0.000 2.569 489 V HA 0.545 4.665 4.120 -0.000 0.000 0.301 489 V C -1.246 174.460 176.094 -0.646 0.000 1.044 489 V CA -0.544 61.359 62.300 -0.662 0.000 0.874 489 V CB 1.410 33.036 31.823 -0.329 0.000 1.002 489 V HN 0.822 nan 8.190 nan 0.000 0.424 490 W N 3.960 125.218 121.300 -0.070 0.000 2.736 490 W HA 0.758 5.418 4.660 -0.000 0.000 0.335 490 W C -0.138 176.306 176.519 -0.125 0.000 1.059 490 W CA -0.532 56.768 57.345 -0.075 0.000 1.226 490 W CB 2.199 31.603 29.460 -0.094 0.000 1.416 490 W HN 0.766 nan 8.180 nan 0.000 0.505 491 Q N 1.174 121.016 119.800 0.071 0.000 2.693 491 Q HA 0.690 5.029 4.340 -0.000 0.000 0.306 491 Q C -2.283 173.722 176.000 0.008 0.000 0.969 491 Q CA -0.973 54.832 55.803 0.002 0.000 0.757 491 Q CB 3.461 32.214 28.738 0.025 0.000 1.494 491 Q HN 0.350 nan 8.270 nan 0.000 0.459 492 Y N -0.127 120.122 120.300 -0.084 0.000 2.376 492 Y HA 0.485 5.035 4.550 -0.000 0.000 0.321 492 Y C -1.881 174.029 175.900 0.016 0.000 1.189 492 Y CA -0.134 57.953 58.100 -0.023 0.000 1.069 492 Y CB 2.531 40.949 38.460 -0.070 0.000 1.292 492 Y HN 0.813 nan 8.280 nan 0.000 0.430 493 T N 4.805 118.969 114.554 -0.649 0.000 2.861 493 T HA 0.686 5.036 4.350 -0.000 0.000 0.287 493 T C -1.124 173.211 174.700 -0.608 0.000 1.003 493 T CA -0.448 61.361 62.100 -0.485 0.000 0.977 493 T CB 1.746 70.485 68.868 -0.215 0.000 0.996 493 T HN 0.692 nan 8.240 nan 0.000 0.448 494 T N 1.673 115.999 114.554 -0.380 0.000 2.802 494 T HA 0.336 4.685 4.350 -0.000 0.000 0.311 494 T C -1.402 173.239 174.700 -0.099 0.000 1.405 494 T CA -0.735 61.230 62.100 -0.224 0.000 1.016 494 T CB 1.229 69.991 68.868 -0.178 0.000 1.352 494 T HN 0.498 nan 8.240 nan 0.000 0.498 495 D N 1.408 121.774 120.400 -0.055 0.000 2.364 495 D HA 0.410 5.050 4.640 -0.000 0.000 0.236 495 D C -0.052 176.227 176.300 -0.034 0.000 1.221 495 D CA 0.248 54.226 54.000 -0.037 0.000 0.891 495 D CB 0.570 41.359 40.800 -0.019 0.000 1.190 495 D HN 0.685 nan 8.370 nan 0.000 0.449 496 A N 0.331 123.124 122.820 -0.045 0.000 2.287 496 A HA 0.436 4.756 4.320 -0.000 0.000 0.317 496 A C 0.883 178.447 177.584 -0.035 0.000 1.220 496 A CA -0.581 51.420 52.037 -0.060 0.000 0.835 496 A CB 0.693 19.625 19.000 -0.112 0.000 1.180 496 A HN 0.502 nan 8.150 nan 0.000 0.500 497 T N -0.785 113.757 114.554 -0.021 0.000 3.051 497 T HA 0.110 4.460 4.350 -0.000 0.000 0.255 497 T C 0.848 175.554 174.700 0.010 0.000 1.085 497 T CA 1.040 63.141 62.100 0.002 0.000 1.109 497 T CB -0.407 68.466 68.868 0.008 0.000 0.921 497 T HN 0.879 nan 8.240 nan 0.000 0.488 498 T N 0.877 115.425 114.554 -0.010 0.000 2.779 498 T HA 0.565 4.915 4.350 -0.000 0.000 0.280 498 T C -3.293 171.408 174.700 0.001 0.000 0.987 498 T CA -2.473 59.628 62.100 0.002 0.000 0.966 498 T CB 1.496 70.353 68.868 -0.018 0.000 0.933 498 T HN -0.157 nan 8.240 nan 0.000 0.442 499 P HA 0.388 nan 4.420 nan 0.000 0.264 499 P C -0.859 176.499 177.300 0.096 0.000 1.193 499 P CA -0.303 62.900 63.100 0.171 0.000 0.763 499 P CB 0.283 32.141 31.700 0.264 0.000 0.810 500 I N 3.838 124.451 120.570 0.072 0.000 2.607 500 I HA 0.364 4.534 4.170 -0.000 0.000 0.290 500 I C -1.249 174.976 176.117 0.180 0.000 1.129 500 I CA -0.751 60.538 61.300 -0.020 0.000 1.042 500 I CB 1.443 39.204 38.000 -0.399 0.000 1.242 500 I HN 0.165 nan 8.210 nan 0.000 0.421 501 I N 7.179 127.879 120.570 0.217 0.000 2.315 501 I HA 0.385 4.555 4.170 -0.000 0.000 0.291 501 I C 1.178 177.414 176.117 0.199 0.000 1.006 501 I CA -0.023 61.398 61.300 0.202 0.000 1.265 501 I CB 1.625 39.672 38.000 0.080 0.000 1.387 501 I HN 0.807 nan 8.210 nan 0.000 0.475 502 G N 4.709 113.426 108.800 -0.139 0.000 2.608 502 G HA2 0.065 4.025 3.960 -0.000 0.000 0.210 502 G HA3 0.065 4.025 3.960 -0.000 0.000 0.210 502 G C 0.271 174.999 174.900 -0.287 0.000 1.139 502 G CA 0.234 45.015 45.100 -0.532 0.000 0.812 502 G HN 0.625 nan 8.290 nan 0.000 0.529 503 N N -2.257 116.231 118.700 -0.353 0.000 3.322 503 N HA 0.430 5.170 4.740 -0.000 0.000 0.233 503 N C -1.976 173.235 175.510 -0.498 0.000 1.399 503 N CA -0.527 52.377 53.050 -0.244 0.000 0.894 503 N CB 2.027 40.487 38.487 -0.044 0.000 1.440 503 N HN -0.096 nan 8.380 nan 0.000 0.503 504 V N 0.190 119.770 119.914 -0.557 0.000 2.888 504 V HA 0.942 5.062 4.120 -0.000 0.000 0.309 504 V C -0.226 175.819 176.094 -0.082 0.000 1.114 504 V CA -0.570 61.471 62.300 -0.431 0.000 0.940 504 V CB 1.666 33.080 31.823 -0.681 0.000 1.021 504 V HN 0.826 nan 8.190 nan 0.000 0.426 505 G N 3.714 112.510 108.800 -0.006 0.000 2.760 505 G HA2 0.724 4.684 3.960 -0.000 0.000 0.296 505 G HA3 0.724 4.684 3.960 -0.000 0.000 0.296 505 G C -3.333 171.624 174.900 0.095 0.000 1.427 505 G CA -1.117 44.033 45.100 0.084 0.000 1.109 505 G HN 0.494 nan 8.290 nan 0.000 0.553 506 P HA 0.218 nan 4.420 nan 0.000 0.275 506 P C 0.372 177.775 177.300 0.172 0.000 1.266 506 P CA -0.415 62.749 63.100 0.106 0.000 0.793 506 P CB 1.253 32.976 31.700 0.037 0.000 1.074 507 M N -0.369 119.258 119.600 0.044 0.000 2.428 507 M HA 0.206 4.686 4.480 -0.000 0.000 0.239 507 M C 0.554 176.573 176.300 -0.468 0.000 1.121 507 M CA 0.578 55.863 55.300 -0.024 0.000 1.019 507 M CB -0.976 31.658 32.600 0.056 0.000 1.485 507 M HN 0.455 nan 8.290 nan 0.000 0.484 508 M N -1.020 118.318 119.600 -0.437 0.000 2.307 508 M HA 0.768 5.248 4.480 -0.000 0.000 0.279 508 M C -1.649 174.490 176.300 -0.269 0.000 1.080 508 M CA -0.501 54.505 55.300 -0.490 0.000 0.964 508 M CB 2.032 34.453 32.600 -0.298 0.000 1.825 508 M HN -0.111 nan 8.290 nan 0.000 0.489 509 A N 2.042 124.731 122.820 -0.219 0.000 2.566 509 A HA 0.798 5.118 4.320 -0.000 0.000 0.290 509 A C -1.761 175.797 177.584 -0.043 0.000 1.071 509 A CA -1.054 50.939 52.037 -0.073 0.000 0.658 509 A CB 1.507 20.517 19.000 0.016 0.000 1.285 509 A HN 1.046 nan 8.150 nan 0.000 0.427 510 K N 0.085 120.466 120.400 -0.032 0.000 2.090 510 K HA 0.684 5.004 4.320 -0.000 0.000 0.249 510 K C -2.793 173.781 176.600 -0.043 0.000 0.995 510 K CA -1.658 54.610 56.287 -0.033 0.000 0.914 510 K CB 0.329 32.812 32.500 -0.029 0.000 1.057 510 K HN 0.257 nan 8.250 nan 0.000 0.462 511 P HA -0.027 nan 4.420 nan 0.000 0.266 511 P C 0.449 177.700 177.300 -0.081 0.000 1.193 511 P CA 1.229 64.264 63.100 -0.109 0.000 0.770 511 P CB 0.554 32.190 31.700 -0.107 0.000 0.836 512 G N 0.317 109.059 108.800 -0.098 0.000 2.195 512 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.246 512 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.246 512 G C 0.041 174.911 174.900 -0.050 0.000 0.984 512 G CA -0.149 44.911 45.100 -0.067 0.000 0.633 512 G HN 0.526 nan 8.290 nan 0.000 0.525 513 V N 1.770 121.657 119.914 -0.044 0.000 2.567 513 V HA 0.555 4.675 4.120 -0.000 0.000 0.289 513 V C 0.829 176.917 176.094 -0.009 0.000 1.049 513 V CA 0.179 62.468 62.300 -0.018 0.000 0.969 513 V CB 1.633 33.458 31.823 0.003 0.000 0.995 513 V HN 0.260 nan 8.190 nan 0.000 0.471 514 T N 6.556 121.106 114.554 -0.007 0.000 2.729 514 T HA 0.487 4.837 4.350 -0.000 0.000 0.296 514 T C 0.018 174.731 174.700 0.022 0.000 0.928 514 T CA 0.045 62.144 62.100 -0.001 0.000 1.045 514 T CB -0.026 68.830 68.868 -0.019 0.000 0.902 514 T HN 0.585 nan 8.240 nan 0.000 0.500 515 I N 0.479 121.075 120.570 0.043 0.000 2.924 515 I HA 0.729 4.899 4.170 -0.000 0.000 0.316 515 I C -0.169 175.932 176.117 -0.028 0.000 1.014 515 I CA -0.675 60.655 61.300 0.051 0.000 1.106 515 I CB 1.657 39.723 38.000 0.111 0.000 1.311 515 I HN 0.258 nan 8.210 nan 0.000 0.502 516 T N 4.908 119.432 114.554 -0.050 0.000 2.809 516 T HA 0.590 4.940 4.350 -0.000 0.000 0.284 516 T C -0.284 174.315 174.700 -0.168 0.000 0.992 516 T CA -0.230 61.810 62.100 -0.099 0.000 0.957 516 T CB 0.777 69.609 68.868 -0.061 0.000 0.942 516 T HN 0.370 nan 8.240 nan 0.000 0.439 517 I N 3.195 123.622 120.570 -0.238 0.000 2.377 517 I HA 0.453 4.623 4.170 -0.000 0.000 0.293 517 I C -0.414 175.604 176.117 -0.167 0.000 0.987 517 I CA -0.785 60.329 61.300 -0.309 0.000 1.185 517 I CB 1.443 39.151 38.000 -0.488 0.000 1.341 517 I HN 0.416 nan 8.210 nan 0.000 0.455 518 D N 4.010 124.327 120.400 -0.139 0.000 2.481 518 D HA 0.798 5.438 4.640 -0.000 0.000 0.244 518 D C 0.151 176.344 176.300 -0.178 0.000 1.057 518 D CA -0.063 53.881 54.000 -0.092 0.000 0.848 518 D CB 2.346 43.033 40.800 -0.188 0.000 1.388 518 D HN 0.796 nan 8.370 nan 0.000 0.475 519 G N 0.743 109.383 108.800 -0.267 0.000 2.498 519 G HA2 0.374 4.334 3.960 -0.000 0.000 0.181 519 G HA3 0.374 4.334 3.960 -0.000 0.000 0.181 519 G C -1.375 173.206 174.900 -0.531 0.000 1.169 519 G CA -0.609 44.270 45.100 -0.368 0.000 0.992 519 G HN 0.290 nan 8.290 nan 0.000 0.490 520 R N -0.982 119.142 120.500 -0.627 0.000 2.680 520 R HA 0.621 4.961 4.340 -0.000 0.000 0.269 520 R C 0.524 176.499 176.300 -0.542 0.000 1.026 520 R CA 0.069 55.875 56.100 -0.490 0.000 0.889 520 R CB 1.174 31.428 30.300 -0.077 0.000 1.241 520 R HN 2.223 nan 8.270 nan 0.000 0.463 521 G N 0.580 109.183 108.800 -0.329 0.000 2.176 521 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.253 521 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.253 521 G C 0.821 175.786 174.900 0.109 0.000 0.979 521 G CA 0.405 45.445 45.100 -0.100 0.000 0.641 521 G HN 0.557 nan 8.290 nan 0.000 0.530 522 F N 1.304 121.269 119.950 0.025 0.000 2.269 522 F HA 0.243 4.770 4.527 -0.000 0.000 0.301 522 F C 2.058 178.093 175.800 0.392 0.000 1.082 522 F CA 0.927 58.984 58.000 0.096 0.000 1.360 522 F CB -0.076 38.768 39.000 -0.260 0.000 1.041 522 F HN 0.950 nan 8.300 nan 0.000 0.512 523 G N 0.257 109.310 108.800 0.421 0.000 2.712 523 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.686 523 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.686 523 G C 0.521 175.667 174.900 0.411 0.000 1.321 523 G CA -0.314 44.994 45.100 0.346 0.000 0.813 523 G HN 0.247 nan 8.290 nan 0.000 0.599 524 S N 0.088 115.920 115.700 0.219 0.000 2.355 524 S HA 0.283 4.753 4.470 -0.000 0.000 0.222 524 S C 1.674 176.352 174.600 0.130 0.000 1.031 524 S CA 1.627 59.933 58.200 0.176 0.000 0.993 524 S CB -0.312 62.939 63.200 0.085 0.000 0.859 524 S HN 2.145 nan 8.310 nan 0.000 0.453 525 G N 1.360 110.146 108.800 -0.024 0.000 2.420 525 G HA2 0.431 4.391 3.960 -0.000 0.000 0.284 525 G HA3 0.431 4.391 3.960 -0.000 0.000 0.284 525 G C -0.638 173.887 174.900 -0.625 0.000 1.177 525 G CA -0.852 44.130 45.100 -0.198 0.000 0.841 525 G HN 0.291 nan 8.290 nan 0.000 0.527 526 K N 0.363 120.364 120.400 -0.666 0.000 2.561 526 K HA 0.125 4.445 4.320 -0.000 0.000 0.280 526 K C 0.979 176.803 176.600 -1.293 0.000 0.975 526 K CA 0.843 56.474 56.287 -1.093 0.000 1.024 526 K CB 0.697 32.917 32.500 -0.467 0.000 0.883 526 K HN 0.579 nan 8.250 nan 0.000 0.496 527 G N 1.140 108.683 108.800 -2.095 0.000 3.267 527 G HA2 0.310 4.270 3.960 -0.000 0.000 0.200 527 G HA3 0.310 4.270 3.960 -0.000 0.000 0.200 527 G C -0.827 173.759 174.900 -0.524 0.000 1.603 527 G CA -0.097 44.327 45.100 -1.126 0.000 0.753 527 G HN 0.502 nan 8.290 nan 0.000 0.755 528 T N -0.177 114.296 114.554 -0.136 0.000 3.105 528 T HA 0.502 4.851 4.350 -0.000 0.000 0.321 528 T C -1.256 173.441 174.700 -0.006 0.000 1.135 528 T CA -0.258 61.787 62.100 -0.091 0.000 1.053 528 T CB 2.001 70.753 68.868 -0.194 0.000 1.133 528 T HN 0.367 nan 8.240 nan 0.000 0.463 529 V N 3.484 123.335 119.914 -0.105 0.000 2.459 529 V HA 0.529 4.649 4.120 -0.000 0.000 0.295 529 V C -1.227 174.718 176.094 -0.249 0.000 1.029 529 V CA -0.870 61.344 62.300 -0.143 0.000 0.874 529 V CB 1.158 32.907 31.823 -0.124 0.000 0.985 529 V HN 0.854 nan 8.190 nan 0.000 0.438 530 Y N 3.563 123.794 120.300 -0.114 0.000 2.334 530 Y HA 0.545 5.095 4.550 -0.000 0.000 0.336 530 Y C -0.366 175.452 175.900 -0.137 0.000 0.960 530 Y CA -0.448 57.624 58.100 -0.048 0.000 1.164 530 Y CB 1.595 40.046 38.460 -0.015 0.000 1.155 530 Y HN 0.554 nan 8.280 nan 0.000 0.478 531 F N 3.142 123.146 119.950 0.090 0.000 2.303 531 F HA 0.483 5.009 4.527 -0.000 0.000 0.368 531 F C 1.006 176.936 175.800 0.216 0.000 1.105 531 F CA 0.214 58.227 58.000 0.021 0.000 1.153 531 F CB 0.581 39.470 39.000 -0.185 0.000 1.362 531 F HN 0.821 nan 8.300 nan 0.000 0.511 532 G N 2.529 111.584 108.800 0.425 0.000 2.559 532 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.282 532 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.282 532 G C 0.934 175.994 174.900 0.266 0.000 1.177 532 G CA 0.427 45.769 45.100 0.403 0.000 0.960 532 G HN 0.425 nan 8.290 nan 0.000 0.540 533 T N 1.391 116.103 114.554 0.264 0.000 3.001 533 T HA 0.346 4.696 4.350 -0.000 0.000 0.251 533 T C 0.945 175.846 174.700 0.336 0.000 1.040 533 T CA 1.230 63.458 62.100 0.212 0.000 0.985 533 T CB 0.193 69.138 68.868 0.129 0.000 1.011 533 T HN 0.635 nan 8.240 nan 0.000 0.509 534 T N 3.415 118.158 114.554 0.316 0.000 2.752 534 T HA 0.564 4.913 4.350 -0.000 0.000 0.295 534 T C 0.151 174.977 174.700 0.211 0.000 0.923 534 T CA -0.405 61.835 62.100 0.232 0.000 1.112 534 T CB 0.634 69.601 68.868 0.165 0.000 0.884 534 T HN 0.271 nan 8.240 nan 0.000 0.525 535 A N 3.830 126.686 122.820 0.059 0.000 2.310 535 A HA 0.692 5.012 4.320 -0.000 0.000 0.299 535 A C -0.233 177.253 177.584 -0.162 0.000 1.147 535 A CA -0.606 51.245 52.037 -0.309 0.000 0.818 535 A CB 0.676 19.361 19.000 -0.526 0.000 1.096 535 A HN 0.667 nan 8.150 nan 0.000 0.495 536 V N 2.318 122.131 119.914 -0.168 0.000 2.540 536 V HA 0.767 4.887 4.120 -0.000 0.000 0.302 536 V C 0.181 176.223 176.094 -0.087 0.000 1.035 536 V CA -0.027 62.233 62.300 -0.067 0.000 0.873 536 V CB 1.546 33.392 31.823 0.038 0.000 0.992 536 V HN 1.216 nan 8.190 nan 0.000 0.428 537 T N 0.415 114.926 114.554 -0.071 0.000 2.671 537 T HA 0.868 5.217 4.350 -0.000 0.000 0.300 537 T C 0.297 174.963 174.700 -0.056 0.000 1.238 537 T CA -0.024 62.030 62.100 -0.076 0.000 1.020 537 T CB 1.272 70.073 68.868 -0.112 0.000 1.503 537 T HN 1.755 nan 8.240 nan 0.000 0.497 538 G N 0.675 109.435 108.800 -0.065 0.000 2.528 538 G HA2 0.107 4.067 3.960 -0.000 0.000 0.262 538 G HA3 0.107 4.067 3.960 -0.000 0.000 0.262 538 G C 1.160 176.041 174.900 -0.031 0.000 1.200 538 G CA 0.701 45.771 45.100 -0.051 0.000 0.951 538 G HN 1.859 nan 8.290 nan 0.000 0.566 539 A N -0.760 122.044 122.820 -0.026 0.000 2.131 539 A HA 0.102 4.422 4.320 -0.000 0.000 0.220 539 A C 1.869 179.445 177.584 -0.013 0.000 1.158 539 A CA 2.462 54.488 52.037 -0.018 0.000 0.665 539 A CB -0.548 18.440 19.000 -0.019 0.000 0.795 539 A HN 0.714 nan 8.150 nan 0.000 0.460 540 D N -0.673 119.717 120.400 -0.017 0.000 2.312 540 D HA 0.056 4.696 4.640 -0.000 0.000 0.211 540 D C 0.269 176.572 176.300 0.005 0.000 0.964 540 D CA 0.563 54.554 54.000 -0.015 0.000 0.877 540 D CB -0.003 40.781 40.800 -0.027 0.000 0.924 540 D HN 0.454 nan 8.370 nan 0.000 0.515 541 I N 1.064 121.648 120.570 0.023 0.000 2.291 541 I HA 0.023 4.193 4.170 -0.000 0.000 0.290 541 I C 0.996 177.143 176.117 0.051 0.000 1.050 541 I CA -0.442 60.895 61.300 0.063 0.000 1.245 541 I CB 1.727 39.808 38.000 0.135 0.000 1.405 541 I HN -0.149 nan 8.210 nan 0.000 0.478 542 V N 6.023 125.956 119.914 0.031 0.000 2.358 542 V HA -0.068 4.051 4.120 -0.000 0.000 0.246 542 V C 0.973 177.088 176.094 0.035 0.000 1.047 542 V CA 1.457 63.768 62.300 0.018 0.000 1.035 542 V CB -0.415 31.407 31.823 -0.001 0.000 0.658 542 V HN 0.838 nan 8.190 nan 0.000 0.452 543 A N -1.678 121.173 122.820 0.051 0.000 2.520 543 A HA 0.624 4.944 4.320 -0.000 0.000 0.298 543 A C -1.896 175.768 177.584 0.134 0.000 1.051 543 A CA -0.409 51.672 52.037 0.074 0.000 0.690 543 A CB 1.690 20.705 19.000 0.024 0.000 1.281 543 A HN 0.243 nan 8.150 nan 0.000 0.402 544 W N 1.676 122.962 121.300 -0.023 0.000 2.998 544 W HA 0.697 5.357 4.660 -0.000 0.000 0.335 544 W C -1.060 175.473 176.519 0.024 0.000 1.110 544 W CA -0.176 57.161 57.345 -0.012 0.000 1.230 544 W CB 1.915 31.359 29.460 -0.028 0.000 1.405 544 W HN 0.942 nan 8.180 nan 0.000 0.493 545 E N 1.575 121.836 120.200 0.101 0.000 2.429 545 E HA -0.014 4.336 4.350 -0.000 0.000 0.280 545 E C -0.356 176.320 176.600 0.126 0.000 1.068 545 E CA -0.447 56.054 56.400 0.169 0.000 0.837 545 E CB 2.223 31.963 29.700 0.067 0.000 1.357 545 E HN 0.385 nan 8.360 nan 0.000 0.455 546 D N -0.606 119.865 120.400 0.118 0.000 2.178 546 D HA -0.138 4.502 4.640 -0.000 0.000 0.201 546 D C 1.501 177.678 176.300 -0.205 0.000 0.980 546 D CA 2.418 56.441 54.000 0.037 0.000 0.842 546 D CB 0.359 41.160 40.800 0.001 0.000 0.948 546 D HN 0.436 nan 8.370 nan 0.000 0.472 547 T N -3.490 110.982 114.554 -0.138 0.000 3.014 547 T HA 0.102 4.451 4.350 -0.000 0.000 0.250 547 T C 0.688 175.368 174.700 -0.034 0.000 1.060 547 T CA -0.432 61.529 62.100 -0.233 0.000 1.040 547 T CB 0.453 69.247 68.868 -0.123 0.000 0.971 547 T HN 0.108 nan 8.240 nan 0.000 0.497 548 Q N 0.272 120.124 119.800 0.086 0.000 2.281 548 Q HA 0.586 4.926 4.340 -0.000 0.000 0.263 548 Q C -2.068 173.859 176.000 -0.123 0.000 0.989 548 Q CA -0.759 55.072 55.803 0.047 0.000 0.852 548 Q CB 1.850 30.572 28.738 -0.027 0.000 1.337 548 Q HN 0.420 nan 8.270 nan 0.000 0.418 549 I N 2.569 122.949 120.570 -0.316 0.000 2.493 549 I HA 0.391 4.561 4.170 -0.000 0.000 0.298 549 I C -0.534 175.424 176.117 -0.264 0.000 0.998 549 I CA -0.712 60.306 61.300 -0.470 0.000 1.137 549 I CB 2.116 39.557 38.000 -0.932 0.000 1.310 549 I HN 0.511 nan 8.210 nan 0.000 0.445 550 Q N 4.970 124.682 119.800 -0.148 0.000 2.309 550 Q HA 0.650 4.990 4.340 -0.000 0.000 0.270 550 Q C -1.418 174.556 176.000 -0.044 0.000 1.023 550 Q CA -0.529 55.222 55.803 -0.087 0.000 0.758 550 Q CB 3.360 32.066 28.738 -0.053 0.000 1.247 550 Q HN 0.500 nan 8.270 nan 0.000 0.455 551 V N 2.518 122.412 119.914 -0.033 0.000 2.888 551 V HA 0.431 4.551 4.120 -0.000 0.000 0.309 551 V C -1.327 174.785 176.094 0.030 0.000 1.114 551 V CA -0.739 61.569 62.300 0.015 0.000 0.940 551 V CB 2.292 34.138 31.823 0.038 0.000 1.021 551 V HN 0.649 nan 8.190 nan 0.000 0.426 552 K N 5.255 125.654 120.400 -0.000 0.000 2.326 552 K HA 0.475 4.795 4.320 -0.000 0.000 0.275 552 K C -0.358 176.155 176.600 -0.145 0.000 1.018 552 K CA -0.129 56.127 56.287 -0.050 0.000 0.962 552 K CB 0.929 33.393 32.500 -0.061 0.000 0.953 552 K HN 0.595 nan 8.250 nan 0.000 0.475 553 I N 5.798 126.218 120.570 -0.251 0.000 2.471 553 I HA 0.075 4.244 4.170 -0.000 0.000 0.286 553 I C -1.568 174.254 176.117 -0.491 0.000 1.079 553 I CA -1.872 59.051 61.300 -0.627 0.000 1.398 553 I CB 0.491 38.249 38.000 -0.403 0.000 1.403 553 I HN 0.423 nan 8.210 nan 0.000 0.530 554 P HA 0.087 nan 4.420 nan 0.000 0.274 554 P C -0.722 176.415 177.300 -0.272 0.000 1.256 554 P CA -0.574 62.327 63.100 -0.332 0.000 0.795 554 P CB 0.784 32.318 31.700 -0.277 0.000 1.038 555 A N 1.441 124.166 122.820 -0.157 0.000 2.797 555 A HA 0.419 4.739 4.320 -0.000 0.000 0.296 555 A C 0.547 178.083 177.584 -0.081 0.000 1.580 555 A CA -0.250 51.725 52.037 -0.104 0.000 1.277 555 A CB -1.462 17.502 19.000 -0.060 0.000 1.101 555 A HN 0.369 nan 8.150 nan 0.000 0.562 556 V N 0.128 119.977 119.914 -0.108 0.000 2.919 556 V HA 0.743 4.863 4.120 -0.000 0.000 0.316 556 V C -2.460 173.666 176.094 0.055 0.000 1.077 556 V CA -2.503 59.780 62.300 -0.028 0.000 0.977 556 V CB 1.396 33.144 31.823 -0.124 0.000 1.039 556 V HN 0.587 nan 8.190 nan 0.000 0.441 557 P HA 0.212 nan 4.420 nan 0.000 0.268 557 P C 0.387 177.819 177.300 0.220 0.000 1.205 557 P CA 0.450 63.641 63.100 0.152 0.000 0.771 557 P CB 0.598 32.388 31.700 0.150 0.000 0.858 558 G N 1.143 110.031 108.800 0.146 0.000 2.484 558 G HA2 0.423 4.382 3.960 -0.000 0.000 0.235 558 G HA3 0.423 4.382 3.960 -0.000 0.000 0.235 558 G C 0.305 175.331 174.900 0.210 0.000 1.282 558 G CA 0.477 45.673 45.100 0.161 0.000 0.857 558 G HN 0.874 nan 8.290 nan 0.000 0.571 559 G N -0.042 108.910 108.800 0.254 0.000 2.359 559 G HA2 0.305 4.265 3.960 -0.000 0.000 0.293 559 G HA3 0.305 4.265 3.960 -0.000 0.000 0.293 559 G C -1.117 173.928 174.900 0.242 0.000 1.300 559 G CA -0.976 44.226 45.100 0.170 0.000 0.888 559 G HN 0.648 nan 8.290 nan 0.000 0.541 560 I N 1.111 121.726 120.570 0.075 0.000 2.325 560 I HA 0.457 4.627 4.170 -0.000 0.000 0.291 560 I C -0.343 175.795 176.117 0.036 0.000 1.019 560 I CA -0.505 60.872 61.300 0.128 0.000 1.302 560 I CB -0.013 38.021 38.000 0.056 0.000 1.401 560 I HN 0.444 nan 8.210 nan 0.000 0.485 561 Y N 3.392 123.838 120.300 0.243 0.000 2.587 561 Y HA 0.411 4.960 4.550 -0.000 0.000 0.337 561 Y C 0.005 176.032 175.900 0.212 0.000 1.065 561 Y CA -1.001 57.245 58.100 0.244 0.000 1.126 561 Y CB 1.606 40.271 38.460 0.342 0.000 1.279 561 Y HN 0.415 nan 8.280 nan 0.000 0.489 562 D N 1.557 122.133 120.400 0.293 0.000 2.256 562 D HA 0.366 5.006 4.640 -0.000 0.000 0.240 562 D C -0.614 175.752 176.300 0.110 0.000 1.062 562 D CA -0.222 53.881 54.000 0.171 0.000 0.832 562 D CB 1.232 42.091 40.800 0.097 0.000 1.135 562 D HN 0.188 nan 8.370 nan 0.000 0.484 563 I N 1.896 122.494 120.570 0.046 0.000 2.499 563 I HA 0.463 4.633 4.170 -0.000 0.000 0.296 563 I C 0.558 176.636 176.117 -0.065 0.000 0.992 563 I CA -0.342 60.861 61.300 -0.161 0.000 1.297 563 I CB 0.725 38.555 38.000 -0.284 0.000 1.410 563 I HN 0.193 nan 8.210 nan 0.000 0.507 564 R N 2.650 123.086 120.500 -0.106 0.000 2.629 564 R HA 0.657 4.997 4.340 -0.000 0.000 0.266 564 R C -1.833 174.462 176.300 -0.009 0.000 1.051 564 R CA -0.541 55.551 56.100 -0.012 0.000 0.895 564 R CB 2.817 33.142 30.300 0.042 0.000 1.246 564 R HN 0.391 nan 8.270 nan 0.000 0.459 565 V N 0.972 120.886 119.914 0.000 0.000 2.864 565 V HA 0.862 4.982 4.120 -0.000 0.000 0.314 565 V C -0.803 175.374 176.094 0.138 0.000 1.073 565 V CA -0.698 61.601 62.300 -0.002 0.000 0.956 565 V CB 1.967 33.643 31.823 -0.244 0.000 1.023 565 V HN 0.897 nan 8.190 nan 0.000 0.435 566 A N 2.621 125.568 122.820 0.212 0.000 2.402 566 A HA 0.728 5.048 4.320 -0.000 0.000 0.291 566 A C -0.494 177.226 177.584 0.228 0.000 1.051 566 A CA -0.780 51.382 52.037 0.208 0.000 0.716 566 A CB 1.030 20.164 19.000 0.224 0.000 1.223 566 A HN 0.949 nan 8.150 nan 0.000 0.425 567 N N 1.710 120.543 118.700 0.222 0.000 2.317 567 N HA 0.382 5.121 4.740 -0.000 0.000 0.245 567 N C 1.151 176.657 175.510 -0.007 0.000 1.294 567 N CA 0.064 53.227 53.050 0.189 0.000 0.924 567 N CB 0.453 39.078 38.487 0.230 0.000 1.186 567 N HN 0.715 nan 8.380 nan 0.000 0.495 568 A N -1.002 121.749 122.820 -0.116 0.000 2.194 568 A HA 0.037 4.356 4.320 -0.000 0.000 0.220 568 A C 1.572 179.121 177.584 -0.058 0.000 1.162 568 A CA 1.647 53.600 52.037 -0.140 0.000 0.674 568 A CB -1.155 17.740 19.000 -0.175 0.000 0.789 568 A HN 0.891 nan 8.150 nan 0.000 0.470 569 A N -1.780 121.033 122.820 -0.012 0.000 2.545 569 A HA 0.477 4.797 4.320 -0.000 0.000 0.277 569 A C 1.550 179.146 177.584 0.021 0.000 1.301 569 A CA 0.820 52.859 52.037 0.004 0.000 0.935 569 A CB -0.999 18.009 19.000 0.013 0.000 1.093 569 A HN 1.766 nan 8.150 nan 0.000 0.519 570 G N -1.156 107.660 108.800 0.028 0.000 2.166 570 G HA2 -0.022 3.937 3.960 -0.000 0.000 0.260 570 G HA3 -0.022 3.937 3.960 -0.000 0.000 0.260 570 G C 0.497 175.433 174.900 0.060 0.000 0.986 570 G CA 0.445 45.574 45.100 0.048 0.000 0.683 570 G HN 1.754 nan 8.290 nan 0.000 0.527 571 A N -0.001 122.859 122.820 0.066 0.000 2.350 571 A HA 0.806 5.126 4.320 -0.000 0.000 0.293 571 A C 0.758 178.397 177.584 0.092 0.000 1.231 571 A CA 0.886 52.964 52.037 0.068 0.000 0.883 571 A CB 0.430 19.470 19.000 0.067 0.000 1.133 571 A HN 1.989 nan 8.150 nan 0.000 0.533 572 A N 3.309 126.174 122.820 0.075 0.000 2.310 572 A HA 0.659 4.979 4.320 -0.000 0.000 0.299 572 A C 0.820 178.444 177.584 0.067 0.000 1.147 572 A CA -0.314 51.772 52.037 0.082 0.000 0.818 572 A CB 0.266 19.297 19.000 0.052 0.000 1.096 572 A HN 0.918 nan 8.150 nan 0.000 0.495 573 S N 1.509 117.254 115.700 0.076 0.000 2.625 573 S HA 0.246 4.716 4.470 -0.000 0.000 0.262 573 S C 0.571 175.198 174.600 0.046 0.000 1.223 573 S CA -0.718 57.522 58.200 0.066 0.000 0.993 573 S CB 0.081 63.330 63.200 0.081 0.000 1.051 573 S HN 0.925 nan 8.310 nan 0.000 0.562 574 N N -0.145 118.585 118.700 0.051 0.000 2.408 574 N HA 0.236 4.976 4.740 -0.000 0.000 0.260 574 N C -0.975 174.574 175.510 0.065 0.000 1.242 574 N CA -0.443 52.638 53.050 0.052 0.000 0.959 574 N CB 0.123 38.647 38.487 0.062 0.000 1.201 574 N HN 0.457 nan 8.380 nan 0.000 0.511 575 I N 0.499 121.103 120.570 0.057 0.000 2.395 575 I HA 0.081 4.251 4.170 -0.000 0.000 0.289 575 I C -0.632 175.546 176.117 0.102 0.000 1.023 575 I CA -0.440 60.898 61.300 0.064 0.000 1.350 575 I CB 0.339 38.358 38.000 0.033 0.000 1.409 575 I HN 0.472 nan 8.210 nan 0.000 0.507 576 Y N 6.979 127.277 120.300 -0.002 0.000 2.587 576 Y HA 0.300 4.850 4.550 -0.000 0.000 0.328 576 Y C -0.254 175.670 175.900 0.039 0.000 0.980 576 Y CA -1.205 56.902 58.100 0.013 0.000 1.272 576 Y CB 0.160 38.609 38.460 -0.018 0.000 1.094 576 Y HN 0.685 nan 8.280 nan 0.000 0.503 577 D N 1.535 121.885 120.400 -0.083 0.000 2.411 577 D HA 0.189 4.829 4.640 -0.000 0.000 0.251 577 D C -0.368 175.947 176.300 0.026 0.000 1.201 577 D CA -0.383 53.621 54.000 0.007 0.000 0.996 577 D CB 0.444 41.234 40.800 -0.016 0.000 1.101 577 D HN 0.502 nan 8.370 nan 0.000 0.504 578 N N -2.418 116.348 118.700 0.111 0.000 2.814 578 N HA -0.194 4.546 4.740 -0.000 0.000 0.247 578 N C -1.608 174.044 175.510 0.238 0.000 1.089 578 N CA 0.176 53.303 53.050 0.128 0.000 0.682 578 N CB -1.512 37.001 38.487 0.043 0.000 0.970 578 N HN 0.459 nan 8.380 nan 0.000 0.554 579 F N 1.265 121.328 119.950 0.189 0.000 2.404 579 F HA 0.374 4.901 4.527 -0.000 0.000 0.354 579 F C 0.528 176.470 175.800 0.237 0.000 1.122 579 F CA -0.858 57.277 58.000 0.225 0.000 1.080 579 F CB 0.919 40.081 39.000 0.271 0.000 1.131 579 F HN 0.089 nan 8.300 nan 0.000 0.471 580 E N 6.465 126.433 120.200 -0.386 0.000 2.081 580 E HA 0.391 4.741 4.350 -0.000 0.000 0.281 580 E C -1.316 175.090 176.600 -0.323 0.000 0.986 580 E CA -0.747 55.530 56.400 -0.204 0.000 0.796 580 E CB 1.153 30.763 29.700 -0.151 0.000 1.085 580 E HN 0.571 nan 8.360 nan 0.000 0.398 581 V N 5.592 125.516 119.914 0.018 0.000 2.465 581 V HA 0.420 4.540 4.120 -0.000 0.000 0.279 581 V C -0.472 175.632 176.094 0.017 0.000 1.045 581 V CA -0.515 61.797 62.300 0.020 0.000 0.938 581 V CB 0.685 32.545 31.823 0.061 0.000 0.986 581 V HN 0.673 nan 8.190 nan 0.000 0.467 582 L N 4.753 125.959 121.223 -0.027 0.000 2.439 582 L HA 0.412 4.752 4.340 -0.000 0.000 0.259 582 L C 1.806 178.679 176.870 0.005 0.000 1.129 582 L CA -0.309 54.523 54.840 -0.014 0.000 0.803 582 L CB 0.892 42.928 42.059 -0.039 0.000 1.161 582 L HN 0.736 nan 8.230 nan 0.000 0.462 583 T N -0.039 114.523 114.554 0.013 0.000 2.915 583 T HA 0.141 4.491 4.350 -0.000 0.000 0.269 583 T C 0.604 175.309 174.700 0.007 0.000 1.071 583 T CA 1.005 63.117 62.100 0.018 0.000 1.132 583 T CB -0.018 68.864 68.868 0.023 0.000 0.878 583 T HN 0.904 nan 8.240 nan 0.000 0.479 584 G N -0.009 108.790 108.800 -0.002 0.000 2.367 584 G HA2 0.195 4.154 3.960 -0.000 0.000 0.272 584 G HA3 0.195 4.154 3.960 -0.000 0.000 0.272 584 G C -2.092 172.801 174.900 -0.011 0.000 1.271 584 G CA -0.872 44.224 45.100 -0.007 0.000 0.893 584 G HN 0.051 nan 8.290 nan 0.000 0.485 585 D N 1.060 121.455 120.400 -0.009 0.000 2.382 585 D HA 0.316 4.956 4.640 -0.000 0.000 0.240 585 D C -0.041 176.255 176.300 -0.008 0.000 1.146 585 D CA 0.532 54.524 54.000 -0.013 0.000 0.897 585 D CB 0.859 41.653 40.800 -0.009 0.000 1.197 585 D HN 0.249 nan 8.370 nan 0.000 0.432 586 Q N 0.377 120.167 119.800 -0.017 0.000 2.297 586 Q HA 0.598 4.938 4.340 -0.000 0.000 0.268 586 Q C -0.207 175.797 176.000 0.008 0.000 1.045 586 Q CA -1.014 54.786 55.803 -0.005 0.000 0.861 586 Q CB 2.346 31.069 28.738 -0.025 0.000 1.344 586 Q HN 0.352 nan 8.270 nan 0.000 0.452 587 V N -2.492 117.445 119.914 0.038 0.000 3.049 587 V HA 0.689 4.809 4.120 -0.000 0.000 0.309 587 V C -0.533 175.621 176.094 0.098 0.000 1.148 587 V CA -0.827 61.514 62.300 0.068 0.000 0.990 587 V CB 1.957 33.825 31.823 0.075 0.000 1.039 587 V HN 0.706 nan 8.190 nan 0.000 0.430 588 T N 2.630 117.270 114.554 0.143 0.000 2.767 588 T HA 0.686 5.036 4.350 -0.000 0.000 0.288 588 T C -0.348 174.440 174.700 0.146 0.000 0.963 588 T CA -0.353 61.856 62.100 0.181 0.000 1.019 588 T CB 1.321 70.370 68.868 0.301 0.000 0.923 588 T HN 0.777 nan 8.240 nan 0.000 0.468 589 V N 3.815 123.789 119.914 0.101 0.000 2.487 589 V HA 0.461 4.580 4.120 -0.000 0.000 0.298 589 V C 0.212 176.232 176.094 -0.124 0.000 1.028 589 V CA -1.052 61.205 62.300 -0.072 0.000 0.860 589 V CB 1.745 33.420 31.823 -0.247 0.000 0.991 589 V HN 0.760 nan 8.190 nan 0.000 0.427 590 R N 3.848 124.277 120.500 -0.119 0.000 2.265 590 R HA 0.496 4.836 4.340 -0.000 0.000 0.314 590 R C -1.554 174.628 176.300 -0.196 0.000 1.053 590 R CA -0.207 55.898 56.100 0.008 0.000 0.931 590 R CB 0.537 30.895 30.300 0.097 0.000 1.024 590 R HN 0.513 nan 8.270 nan 0.000 0.457 591 F N 3.898 123.914 119.950 0.109 0.000 2.444 591 F HA 0.373 4.900 4.527 -0.000 0.000 0.342 591 F C -0.383 175.520 175.800 0.171 0.000 1.121 591 F CA -0.724 57.351 58.000 0.125 0.000 0.997 591 F CB 2.115 41.222 39.000 0.178 0.000 1.130 591 F HN 0.113 nan 8.300 nan 0.000 0.454 592 V N 5.565 125.601 119.914 0.203 0.000 2.444 592 V HA 0.439 4.559 4.120 -0.000 0.000 0.294 592 V C -0.459 175.613 176.094 -0.037 0.000 1.022 592 V CA -0.812 61.474 62.300 -0.024 0.000 0.850 592 V CB 1.968 33.578 31.823 -0.356 0.000 0.992 592 V HN 0.673 nan 8.190 nan 0.000 0.426 593 I N 4.580 125.100 120.570 -0.083 0.000 2.433 593 I HA 0.532 4.702 4.170 -0.000 0.000 0.292 593 I C -0.506 175.569 176.117 -0.070 0.000 1.001 593 I CA -0.405 60.752 61.300 -0.239 0.000 1.119 593 I CB 1.770 39.367 38.000 -0.671 0.000 1.289 593 I HN 0.691 nan 8.210 nan 0.000 0.438 594 N N 5.018 123.689 118.700 -0.048 0.000 2.443 594 N HA 0.425 5.165 4.740 -0.000 0.000 0.295 594 N C -0.558 174.970 175.510 0.030 0.000 1.076 594 N CA -0.569 52.482 53.050 0.002 0.000 0.919 594 N CB 0.896 39.386 38.487 0.005 0.000 1.176 594 N HN 0.633 nan 8.380 nan 0.000 0.487 595 N N -0.775 117.925 118.700 -0.001 0.000 2.815 595 N HA -0.194 4.546 4.740 -0.000 0.000 0.249 595 N C -1.297 174.162 175.510 -0.085 0.000 1.114 595 N CA 0.515 53.554 53.050 -0.019 0.000 0.717 595 N CB -0.838 37.681 38.487 0.054 0.000 1.074 595 N HN 0.599 nan 8.380 nan 0.000 0.555 596 A N 0.529 123.263 122.820 -0.143 0.000 2.506 596 A HA 0.451 4.771 4.320 -0.000 0.000 0.320 596 A C 0.511 177.927 177.584 -0.280 0.000 1.424 596 A CA 0.052 51.814 52.037 -0.459 0.000 1.044 596 A CB 0.324 19.022 19.000 -0.503 0.000 1.140 596 A HN 0.185 nan 8.150 nan 0.000 0.538 597 T N 2.824 117.176 114.554 -0.337 0.000 2.851 597 T HA 0.500 4.850 4.350 -0.000 0.000 0.298 597 T C 0.637 175.317 174.700 -0.034 0.000 0.977 597 T CA 0.569 62.615 62.100 -0.090 0.000 1.126 597 T CB 0.475 69.292 68.868 -0.084 0.000 0.916 597 T HN 0.849 nan 8.240 nan 0.000 0.529 598 T N -0.022 114.680 114.554 0.247 0.000 2.906 598 T HA 0.822 5.172 4.350 -0.000 0.000 0.295 598 T C -0.161 174.601 174.700 0.102 0.000 1.075 598 T CA -1.036 61.136 62.100 0.119 0.000 1.005 598 T CB 1.712 70.690 68.868 0.183 0.000 1.136 598 T HN 0.611 nan 8.240 nan 0.000 0.498 599 A N 1.774 124.617 122.820 0.038 0.000 2.240 599 A HA 0.692 5.011 4.320 -0.000 0.000 0.292 599 A C 0.229 177.818 177.584 0.009 0.000 1.121 599 A CA -0.977 51.074 52.037 0.023 0.000 0.851 599 A CB 0.243 19.252 19.000 0.015 0.000 1.167 599 A HN 0.972 nan 8.150 nan 0.000 0.503 600 L N 1.145 122.366 121.223 -0.002 0.000 2.456 600 L HA 0.444 4.784 4.340 -0.000 0.000 0.277 600 L C 0.988 177.861 176.870 0.006 0.000 1.124 600 L CA 1.895 56.728 54.840 -0.011 0.000 0.880 600 L CB -0.489 41.562 42.059 -0.014 0.000 1.192 600 L HN 1.430 nan 8.230 nan 0.000 0.463 601 G N 3.696 112.506 108.800 0.017 0.000 2.184 601 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.206 601 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.206 601 G C 0.195 175.122 174.900 0.045 0.000 0.995 601 G CA 0.160 45.279 45.100 0.031 0.000 0.651 601 G HN 0.617 nan 8.290 nan 0.000 0.511 602 Q N 0.507 120.333 119.800 0.045 0.000 2.293 602 Q HA 0.623 4.963 4.340 -0.000 0.000 0.261 602 Q C -0.692 175.334 176.000 0.043 0.000 0.960 602 Q CA -0.740 55.081 55.803 0.031 0.000 0.882 602 Q CB 0.707 29.443 28.738 -0.003 0.000 1.275 602 Q HN 0.291 nan 8.270 nan 0.000 0.445 603 N N 1.555 120.247 118.700 -0.013 0.000 2.312 603 N HA 0.432 5.172 4.740 -0.000 0.000 0.296 603 N C -1.404 173.779 175.510 -0.544 0.000 1.193 603 N CA -0.419 52.486 53.050 -0.243 0.000 0.773 603 N CB 2.198 40.626 38.487 -0.098 0.000 1.435 603 N HN 0.280 nan 8.380 nan 0.000 0.484 604 V N 1.925 121.071 119.914 -1.279 0.000 2.481 604 V HA 0.552 4.672 4.120 -0.000 0.000 0.286 604 V C -0.548 175.111 176.094 -0.725 0.000 1.042 604 V CA -0.242 61.513 62.300 -0.908 0.000 0.928 604 V CB 0.339 31.398 31.823 -1.273 0.000 0.986 604 V HN 0.468 nan 8.190 nan 0.000 0.462 605 F N 3.552 123.332 119.950 -0.283 0.000 2.664 605 F HA 0.824 5.351 4.527 -0.000 0.000 0.329 605 F C -0.309 175.375 175.800 -0.194 0.000 1.090 605 F CA -0.935 56.917 58.000 -0.246 0.000 0.978 605 F CB 1.846 40.688 39.000 -0.263 0.000 1.378 605 F HN 0.375 nan 8.300 nan 0.000 0.495 606 L N 0.143 121.313 121.223 -0.089 0.000 2.371 606 L HA 0.901 5.241 4.340 -0.000 0.000 0.262 606 L C -0.801 175.900 176.870 -0.281 0.000 1.006 606 L CA 0.085 54.712 54.840 -0.355 0.000 0.818 606 L CB 2.393 44.097 42.059 -0.592 0.000 1.354 606 L HN 0.656 nan 8.230 nan 0.000 0.415 607 T N 1.560 115.934 114.554 -0.300 0.000 2.802 607 T HA 0.861 5.211 4.350 -0.000 0.000 0.311 607 T C -0.885 173.587 174.700 -0.381 0.000 1.405 607 T CA 0.053 62.009 62.100 -0.239 0.000 1.016 607 T CB 1.389 70.223 68.868 -0.055 0.000 1.352 607 T HN 1.211 nan 8.240 nan 0.000 0.498 608 G N 1.228 109.643 108.800 -0.640 0.000 2.682 608 G HA2 0.406 4.366 3.960 -0.000 0.000 0.303 608 G HA3 0.406 4.366 3.960 -0.000 0.000 0.303 608 G C 0.085 174.189 174.900 -1.326 0.000 1.341 608 G CA -0.129 44.379 45.100 -0.987 0.000 0.784 608 G HN 0.719 nan 8.290 nan 0.000 0.497 609 N N -0.999 117.122 118.700 -0.965 0.000 2.412 609 N HA -0.014 4.726 4.740 -0.000 0.000 0.184 609 N C 0.894 176.278 175.510 -0.210 0.000 1.101 609 N CA 0.855 53.562 53.050 -0.571 0.000 0.881 609 N CB -0.092 38.416 38.487 0.035 0.000 0.969 609 N HN 0.685 nan 8.380 nan 0.000 0.459 610 V N -1.818 117.992 119.914 -0.174 0.000 2.837 610 V HA 0.409 4.528 4.120 -0.000 0.000 0.310 610 V C 1.529 177.578 176.094 -0.074 0.000 1.059 610 V CA -0.351 61.909 62.300 -0.067 0.000 1.004 610 V CB 1.112 32.921 31.823 -0.023 0.000 1.045 610 V HN 0.152 nan 8.190 nan 0.000 0.465 611 S N 0.838 116.527 115.700 -0.020 0.000 2.399 611 S HA -0.180 4.289 4.470 -0.000 0.000 0.231 611 S C 1.366 175.958 174.600 -0.014 0.000 1.022 611 S CA 1.247 59.443 58.200 -0.007 0.000 0.983 611 S CB -0.677 62.543 63.200 0.033 0.000 0.803 611 S HN 0.949 nan 8.310 nan 0.000 0.480 612 E N 1.577 121.771 120.200 -0.010 0.000 2.409 612 E HA 0.018 4.368 4.350 -0.000 0.000 0.198 612 E C 1.335 177.919 176.600 -0.026 0.000 1.024 612 E CA 0.469 56.870 56.400 0.003 0.000 0.861 612 E CB -0.432 29.281 29.700 0.023 0.000 0.788 612 E HN 0.537 nan 8.360 nan 0.000 0.521 613 L N 0.251 121.423 121.223 -0.084 0.000 2.872 613 L HA 0.282 4.622 4.340 -0.000 0.000 0.245 613 L C 1.004 177.776 176.870 -0.163 0.000 1.211 613 L CA 0.190 54.937 54.840 -0.155 0.000 1.013 613 L CB 0.165 42.077 42.059 -0.244 0.000 1.326 613 L HN 0.292 nan 8.230 nan 0.000 0.525 614 G N 0.366 109.110 108.800 -0.094 0.000 2.212 614 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.266 614 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.266 614 G C 0.529 175.401 174.900 -0.047 0.000 0.978 614 G CA 0.357 45.421 45.100 -0.059 0.000 0.632 614 G HN 0.615 nan 8.290 nan 0.000 0.537 615 N N -1.924 116.703 118.700 -0.122 0.000 2.738 615 N HA -0.239 4.501 4.740 -0.000 0.000 0.249 615 N C 0.909 176.474 175.510 0.091 0.000 1.047 615 N CA 1.305 54.304 53.050 -0.085 0.000 0.707 615 N CB -1.292 37.207 38.487 0.021 0.000 0.937 615 N HN 1.059 nan 8.380 nan 0.000 0.545 616 W N -3.500 117.860 121.300 0.098 0.000 2.076 616 W HA -0.298 4.362 4.660 -0.000 0.000 0.252 616 W C 0.511 177.149 176.519 0.199 0.000 1.003 616 W CA 0.453 57.897 57.345 0.165 0.000 0.468 616 W CB -1.177 28.338 29.460 0.093 0.000 2.014 616 W HN 0.372 nan 8.180 nan 0.000 1.377 617 D N 1.765 122.342 120.400 0.295 0.000 2.336 617 D HA 0.126 4.766 4.640 -0.000 0.000 0.249 617 D C -0.494 175.890 176.300 0.140 0.000 1.213 617 D CA -1.844 52.275 54.000 0.199 0.000 0.870 617 D CB 0.964 41.828 40.800 0.106 0.000 1.076 617 D HN -0.100 nan 8.370 nan 0.000 0.483 618 P HA -0.085 nan 4.420 nan 0.000 0.236 618 P C 0.289 177.509 177.300 -0.132 0.000 1.172 618 P CA 0.690 63.777 63.100 -0.022 0.000 0.759 618 P CB 0.271 31.987 31.700 0.028 0.000 0.843 619 N N -0.421 118.240 118.700 -0.065 0.000 2.353 619 N HA 0.042 4.782 4.740 -0.000 0.000 0.185 619 N C 0.481 175.944 175.510 -0.078 0.000 1.098 619 N CA -0.003 52.993 53.050 -0.090 0.000 0.872 619 N CB 0.097 38.558 38.487 -0.043 0.000 0.970 619 N HN 0.048 nan 8.380 nan 0.000 0.467 620 N N 0.559 119.225 118.700 -0.056 0.000 2.365 620 N HA 0.166 4.906 4.740 -0.000 0.000 0.257 620 N C -0.839 174.642 175.510 -0.048 0.000 1.287 620 N CA -0.068 52.959 53.050 -0.039 0.000 0.882 620 N CB 1.003 39.482 38.487 -0.013 0.000 1.250 620 N HN 0.061 nan 8.380 nan 0.000 0.507 621 A N 0.866 123.635 122.820 -0.084 0.000 2.388 621 A HA 0.395 4.715 4.320 -0.000 0.000 0.257 621 A C 0.497 178.102 177.584 0.035 0.000 1.095 621 A CA -0.330 51.667 52.037 -0.066 0.000 0.791 621 A CB 0.370 19.286 19.000 -0.139 0.000 1.029 621 A HN 0.111 nan 8.150 nan 0.000 0.489 622 I N 1.817 122.378 120.570 -0.016 0.000 2.598 622 I HA 0.461 4.631 4.170 -0.000 0.000 0.284 622 I C 1.006 177.053 176.117 -0.116 0.000 1.140 622 I CA 1.278 62.553 61.300 -0.042 0.000 1.420 622 I CB -0.793 37.173 38.000 -0.056 0.000 1.387 622 I HN 0.955 nan 8.210 nan 0.000 0.553 623 G N 8.046 116.671 108.800 -0.292 0.000 2.369 623 G HA2 0.154 4.114 3.960 -0.000 0.000 0.293 623 G HA3 0.154 4.114 3.960 -0.000 0.000 0.293 623 G C -3.146 171.453 174.900 -0.502 0.000 1.301 623 G CA -0.899 43.744 45.100 -0.762 0.000 0.913 623 G HN 0.478 nan 8.290 nan 0.000 0.540 624 P HA 0.279 nan 4.420 nan 0.000 0.267 624 P C 0.515 177.331 177.300 -0.806 0.000 1.205 624 P CA 0.088 62.562 63.100 -1.043 0.000 0.765 624 P CB 0.482 31.907 31.700 -0.458 0.000 0.828 625 M N 2.332 121.517 119.600 -0.692 0.000 2.184 625 M HA 0.090 4.570 4.480 -0.000 0.000 0.296 625 M C 0.340 176.622 176.300 -0.030 0.000 1.165 625 M CA 0.535 55.554 55.300 -0.469 0.000 1.175 625 M CB -0.220 32.343 32.600 -0.062 0.000 1.392 625 M HN 0.275 nan 8.290 nan 0.000 0.457 626 Y N 1.253 121.465 120.300 -0.147 0.000 2.335 626 Y HA 0.235 4.785 4.550 -0.000 0.000 0.323 626 Y C 0.535 176.144 175.900 -0.485 0.000 1.224 626 Y CA -1.427 56.419 58.100 -0.423 0.000 1.241 626 Y CB 0.494 38.466 38.460 -0.814 0.000 1.235 626 Y HN 0.674 nan 8.280 nan 0.000 0.492 627 N N -0.918 117.647 118.700 -0.225 0.000 2.527 627 N HA 0.080 4.819 4.740 -0.000 0.000 0.279 627 N C -0.326 175.118 175.510 -0.110 0.000 1.571 627 N CA -0.247 52.638 53.050 -0.275 0.000 0.858 627 N CB -0.031 37.848 38.487 -1.013 0.000 1.422 627 N HN 0.717 nan 8.380 nan 0.000 0.491 628 Q N -1.737 118.076 119.800 0.022 0.000 2.286 628 Q HA 0.234 4.574 4.340 -0.000 0.000 0.243 628 Q C -0.174 175.782 176.000 -0.074 0.000 0.752 628 Q CA 0.056 55.833 55.803 -0.044 0.000 0.950 628 Q CB 0.236 28.914 28.738 -0.101 0.000 1.253 628 Q HN 0.007 nan 8.270 nan 0.000 0.492 629 V N 0.988 120.849 119.914 -0.088 0.000 2.502 629 V HA -0.009 4.111 4.120 -0.000 0.000 0.234 629 V C 2.200 177.910 176.094 -0.640 0.000 1.072 629 V CA 1.166 63.256 62.300 -0.350 0.000 1.094 629 V CB 0.039 31.633 31.823 -0.383 0.000 0.761 629 V HN 0.172 nan 8.190 nan 0.000 0.489 630 V N -1.422 117.998 119.914 -0.824 0.000 2.515 630 V HA -0.074 4.046 4.120 -0.000 0.000 0.250 630 V C 0.508 175.987 176.094 -1.026 0.000 1.058 630 V CA 1.460 63.109 62.300 -1.084 0.000 1.064 630 V CB -0.692 30.328 31.823 -1.339 0.000 0.675 630 V HN 0.527 nan 8.190 nan 0.000 0.461 631 Y N -0.660 119.301 120.300 -0.565 0.000 2.544 631 Y HA 0.598 5.148 4.550 -0.000 0.000 0.342 631 Y C -0.408 175.477 175.900 -0.025 0.000 1.062 631 Y CA -1.437 56.537 58.100 -0.210 0.000 1.023 631 Y CB 1.633 40.020 38.460 -0.120 0.000 1.308 631 Y HN 0.000 nan 8.280 nan 0.000 0.457 632 Q N 1.204 121.063 119.800 0.099 0.000 2.301 632 Q HA 0.291 4.631 4.340 -0.000 0.000 0.267 632 Q C -1.089 174.916 176.000 0.009 0.000 1.035 632 Q CA -1.191 54.634 55.803 0.036 0.000 0.856 632 Q CB 1.825 30.562 28.738 -0.002 0.000 1.337 632 Q HN 0.775 nan 8.270 nan 0.000 0.450 633 Y N 2.701 122.888 120.300 -0.190 0.000 2.805 633 Y HA -0.017 4.533 4.550 -0.000 0.000 0.337 633 Y C -1.348 174.505 175.900 -0.077 0.000 1.252 633 Y CA -0.535 57.424 58.100 -0.235 0.000 1.515 633 Y CB 0.387 38.675 38.460 -0.287 0.000 1.305 633 Y HN 0.489 nan 8.280 nan 0.000 0.600 634 P HA 0.032 nan 4.420 nan 0.000 0.252 634 P C -0.728 176.449 177.300 -0.205 0.000 1.265 634 P CA 0.715 63.287 63.100 -0.880 0.000 0.775 634 P CB 0.110 31.411 31.700 -0.665 0.000 1.128 635 T N -0.016 114.486 114.554 -0.086 0.000 2.799 635 T HA 0.303 4.653 4.350 -0.000 0.000 0.286 635 T C -0.628 174.158 174.700 0.142 0.000 0.973 635 T CA -0.191 61.961 62.100 0.086 0.000 1.035 635 T CB 0.610 69.532 68.868 0.091 0.000 0.932 635 T HN -0.015 nan 8.240 nan 0.000 0.469 636 W N 2.541 123.867 121.300 0.043 0.000 2.719 636 W HA 0.662 5.322 4.660 -0.000 0.000 0.352 636 W C -0.750 175.862 176.519 0.155 0.000 1.085 636 W CA -0.879 56.522 57.345 0.093 0.000 1.187 636 W CB 1.034 30.494 29.460 0.001 0.000 1.417 636 W HN 0.731 nan 8.180 nan 0.000 0.557 637 Y N -0.641 119.849 120.300 0.316 0.000 2.592 637 Y HA 0.750 5.300 4.550 -0.000 0.000 0.334 637 Y C -2.064 174.086 175.900 0.417 0.000 1.136 637 Y CA -2.488 55.765 58.100 0.254 0.000 1.042 637 Y CB 1.389 39.913 38.460 0.107 0.000 1.325 637 Y HN 0.564 nan 8.280 nan 0.000 0.457 638 Y N 0.821 121.274 120.300 0.256 0.000 2.558 638 Y HA 0.332 4.882 4.550 -0.000 0.000 0.333 638 Y C -1.527 174.554 175.900 0.302 0.000 1.125 638 Y CA -1.136 57.048 58.100 0.141 0.000 1.039 638 Y CB 2.069 40.516 38.460 -0.022 0.000 1.331 638 Y HN 0.777 nan 8.280 nan 0.000 0.456 639 D N 4.055 124.413 120.400 -0.071 0.000 2.373 639 D HA 0.427 5.067 4.640 -0.000 0.000 0.227 639 D C -1.057 175.278 176.300 0.057 0.000 1.091 639 D CA 0.069 54.129 54.000 0.099 0.000 0.840 639 D CB 2.014 42.928 40.800 0.190 0.000 1.060 639 D HN 0.137 nan 8.370 nan 0.000 0.502 640 V N 1.214 121.264 119.914 0.226 0.000 2.680 640 V HA 0.306 4.426 4.120 -0.000 0.000 0.309 640 V C 0.296 176.523 176.094 0.222 0.000 1.052 640 V CA -0.846 61.604 62.300 0.250 0.000 0.908 640 V CB 2.095 34.106 31.823 0.313 0.000 1.001 640 V HN 0.431 nan 8.190 nan 0.000 0.431 641 S N 3.053 118.863 115.700 0.184 0.000 2.430 641 S HA 0.693 5.163 4.470 -0.000 0.000 0.289 641 S C -0.510 174.156 174.600 0.110 0.000 1.143 641 S CA -0.432 57.844 58.200 0.127 0.000 1.067 641 S CB 0.460 63.710 63.200 0.084 0.000 0.964 641 S HN 0.956 nan 8.310 nan 0.000 0.485 642 V N 2.936 122.913 119.914 0.106 0.000 3.141 642 V HA 0.785 4.904 4.120 -0.000 0.000 0.312 642 V C -2.985 173.149 176.094 0.067 0.000 1.157 642 V CA -3.011 59.344 62.300 0.092 0.000 1.041 642 V CB 1.029 32.938 31.823 0.143 0.000 1.071 642 V HN 0.564 nan 8.190 nan 0.000 0.441 643 P HA 0.386 nan 4.420 nan 0.000 0.271 643 P C -0.627 176.696 177.300 0.038 0.000 1.218 643 P CA 0.257 63.378 63.100 0.036 0.000 0.780 643 P CB 0.545 32.264 31.700 0.033 0.000 0.901 644 A N 2.652 125.486 122.820 0.024 0.000 2.320 644 A HA 0.539 4.859 4.320 -0.000 0.000 0.287 644 A C 1.185 178.772 177.584 0.005 0.000 1.181 644 A CA 0.258 52.306 52.037 0.017 0.000 0.831 644 A CB -0.896 18.112 19.000 0.013 0.000 1.102 644 A HN 0.824 nan 8.150 nan 0.000 0.513 645 G N 1.535 110.329 108.800 -0.011 0.000 2.160 645 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.244 645 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.244 645 G C -0.058 174.831 174.900 -0.018 0.000 1.022 645 G CA 0.565 45.651 45.100 -0.023 0.000 0.741 645 G HN 0.914 nan 8.290 nan 0.000 0.508 646 Q N -0.703 119.090 119.800 -0.012 0.000 2.413 646 Q HA 0.568 4.908 4.340 -0.000 0.000 0.276 646 Q C -0.664 175.345 176.000 0.014 0.000 1.099 646 Q CA -0.662 55.146 55.803 0.009 0.000 0.814 646 Q CB 1.911 30.668 28.738 0.031 0.000 1.379 646 Q HN 0.136 nan 8.270 nan 0.000 0.436 647 T N 3.081 117.658 114.554 0.038 0.000 2.794 647 T HA 0.360 4.710 4.350 -0.000 0.000 0.304 647 T C 0.252 175.034 174.700 0.138 0.000 0.973 647 T CA -0.276 61.870 62.100 0.076 0.000 0.972 647 T CB -0.503 68.406 68.868 0.068 0.000 0.952 647 T HN 0.365 nan 8.240 nan 0.000 0.509 648 I N 0.384 121.079 120.570 0.209 0.000 2.783 648 I HA 0.689 4.859 4.170 -0.000 0.000 0.312 648 I C -0.081 176.254 176.117 0.363 0.000 0.988 648 I CA -0.954 60.486 61.300 0.234 0.000 1.182 648 I CB 1.402 39.525 38.000 0.204 0.000 1.368 648 I HN 0.331 nan 8.210 nan 0.000 0.511 649 E N 2.978 123.361 120.200 0.305 0.000 2.256 649 E HA 0.682 5.031 4.350 -0.000 0.000 0.267 649 E C -1.528 175.257 176.600 0.308 0.000 0.892 649 E CA -0.599 56.012 56.400 0.351 0.000 0.775 649 E CB 2.581 32.519 29.700 0.396 0.000 1.207 649 E HN 0.603 nan 8.360 nan 0.000 0.420 650 F N -0.985 119.035 119.950 0.117 0.000 2.719 650 F HA 0.632 5.159 4.527 -0.000 0.000 0.309 650 F C -1.512 174.382 175.800 0.157 0.000 1.138 650 F CA -1.134 56.832 58.000 -0.056 0.000 0.943 650 F CB 1.445 40.272 39.000 -0.289 0.000 1.304 650 F HN 0.115 nan 8.300 nan 0.000 0.445 651 K N 1.643 122.191 120.400 0.247 0.000 2.523 651 K HA 0.538 4.857 4.320 -0.000 0.000 0.257 651 K C -1.790 174.882 176.600 0.120 0.000 0.932 651 K CA -0.687 55.757 56.287 0.260 0.000 0.812 651 K CB 2.854 35.653 32.500 0.499 0.000 1.326 651 K HN 0.564 nan 8.250 nan 0.000 0.433 652 F N 2.082 122.110 119.950 0.128 0.000 2.368 652 F HA 0.589 5.116 4.527 -0.000 0.000 0.315 652 F C 0.459 176.293 175.800 0.057 0.000 1.145 652 F CA -0.747 57.314 58.000 0.103 0.000 1.095 652 F CB 0.758 39.884 39.000 0.210 0.000 1.286 652 F HN 0.312 nan 8.300 nan 0.000 0.530 653 L N -1.481 119.882 121.223 0.233 0.000 2.671 653 L HA 0.642 4.982 4.340 -0.000 0.000 0.259 653 L C -1.746 175.164 176.870 0.067 0.000 1.021 653 L CA -1.315 53.559 54.840 0.058 0.000 0.871 653 L CB 2.167 43.885 42.059 -0.568 0.000 1.472 653 L HN 0.422 nan 8.230 nan 0.000 0.410 654 K N 0.953 121.363 120.400 0.016 0.000 2.203 654 K HA 0.655 4.975 4.320 -0.000 0.000 0.251 654 K C -1.267 175.297 176.600 -0.061 0.000 0.944 654 K CA -0.899 55.340 56.287 -0.079 0.000 0.829 654 K CB 2.364 34.765 32.500 -0.165 0.000 1.125 654 K HN 0.541 nan 8.250 nan 0.000 0.430 655 K N 2.312 122.704 120.400 -0.014 0.000 2.482 655 K HA 0.148 4.468 4.320 -0.000 0.000 0.251 655 K C -1.693 174.900 176.600 -0.012 0.000 0.936 655 K CA -0.579 55.653 56.287 -0.091 0.000 0.791 655 K CB 1.382 33.670 32.500 -0.352 0.000 1.213 655 K HN 0.637 nan 8.250 nan 0.000 0.428 656 Q N 3.354 123.136 119.800 -0.030 0.000 2.374 656 Q HA 0.351 4.691 4.340 -0.000 0.000 0.250 656 Q C 0.184 176.176 176.000 -0.013 0.000 0.918 656 Q CA -0.341 55.460 55.803 -0.004 0.000 0.778 656 Q CB 1.544 30.283 28.738 0.001 0.000 1.328 656 Q HN 0.782 nan 8.270 nan 0.000 0.445 657 G N 3.047 111.840 108.800 -0.011 0.000 2.565 657 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.295 657 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.295 657 G C 0.490 175.372 174.900 -0.030 0.000 1.165 657 G CA 0.495 45.587 45.100 -0.014 0.000 0.977 657 G HN 0.690 nan 8.290 nan 0.000 0.546 658 S N 0.916 116.604 115.700 -0.021 0.000 2.556 658 S HA 0.333 4.803 4.470 -0.000 0.000 0.216 658 S C 0.708 175.298 174.600 -0.017 0.000 0.970 658 S CA 1.091 59.277 58.200 -0.023 0.000 0.912 658 S CB 0.454 63.647 63.200 -0.010 0.000 0.790 658 S HN 0.872 nan 8.310 nan 0.000 0.504 659 T N 2.517 117.063 114.554 -0.014 0.000 2.771 659 T HA 0.489 4.839 4.350 -0.000 0.000 0.291 659 T C -0.318 174.371 174.700 -0.017 0.000 0.954 659 T CA -0.282 61.819 62.100 0.000 0.000 1.045 659 T CB 1.555 70.430 68.868 0.012 0.000 0.917 659 T HN -0.106 nan 8.240 nan 0.000 0.484 660 V N 3.865 123.781 119.914 0.004 0.000 2.495 660 V HA 0.487 4.607 4.120 -0.000 0.000 0.298 660 V C 0.072 176.196 176.094 0.049 0.000 1.031 660 V CA -0.715 61.564 62.300 -0.034 0.000 0.871 660 V CB 2.102 33.899 31.823 -0.045 0.000 0.988 660 V HN 1.004 nan 8.190 nan 0.000 0.432 661 T N 4.204 118.770 114.554 0.020 0.000 2.791 661 T HA 0.413 4.763 4.350 -0.000 0.000 0.288 661 T C -0.742 174.068 174.700 0.182 0.000 0.999 661 T CA -0.302 61.893 62.100 0.159 0.000 0.952 661 T CB 0.501 69.478 68.868 0.181 0.000 0.938 661 T HN 0.527 nan 8.240 nan 0.000 0.444 662 W N 1.799 123.185 121.300 0.144 0.000 2.303 662 W HA 0.405 5.065 4.660 -0.000 0.000 0.334 662 W C 0.920 177.423 176.519 -0.027 0.000 1.197 662 W CA -0.906 56.496 57.345 0.095 0.000 1.262 662 W CB 0.435 29.907 29.460 0.019 0.000 1.153 662 W HN 0.571 nan 8.180 nan 0.000 0.596 663 E N 0.516 120.696 120.200 -0.033 0.000 2.404 663 E HA 0.268 4.617 4.350 -0.000 0.000 0.261 663 E C 0.628 177.098 176.600 -0.217 0.000 1.074 663 E CA -0.017 56.035 56.400 -0.580 0.000 0.917 663 E CB 0.632 29.992 29.700 -0.566 0.000 0.965 663 E HN 0.607 nan 8.360 nan 0.000 0.433 664 G N 0.279 108.910 108.800 -0.281 0.000 2.525 664 G HA2 0.541 4.500 3.960 -0.000 0.000 0.287 664 G HA3 0.541 4.500 3.960 -0.000 0.000 0.287 664 G C 0.218 175.035 174.900 -0.138 0.000 1.350 664 G CA 0.057 45.073 45.100 -0.140 0.000 1.039 664 G HN 0.783 nan 8.290 nan 0.000 0.513 665 G N -1.517 107.224 108.800 -0.099 0.000 2.632 665 G HA2 0.385 4.345 3.960 -0.000 0.000 0.224 665 G HA3 0.385 4.345 3.960 -0.000 0.000 0.224 665 G C 0.239 175.090 174.900 -0.082 0.000 1.341 665 G CA 0.165 45.213 45.100 -0.086 0.000 0.880 665 G HN 2.006 nan 8.290 nan 0.000 0.566 666 A N -0.381 122.398 122.820 -0.069 0.000 2.269 666 A HA 0.723 5.043 4.320 -0.000 0.000 0.319 666 A C 0.493 178.043 177.584 -0.057 0.000 1.110 666 A CA -0.105 51.893 52.037 -0.065 0.000 0.847 666 A CB 0.429 19.401 19.000 -0.047 0.000 1.161 666 A HN 1.016 nan 8.150 nan 0.000 0.497 667 N N 0.966 119.639 118.700 -0.045 0.000 2.454 667 N HA 0.138 4.878 4.740 -0.000 0.000 0.254 667 N C -0.198 175.276 175.510 -0.060 0.000 1.228 667 N CA 0.415 53.464 53.050 -0.002 0.000 0.900 667 N CB 0.280 38.812 38.487 0.076 0.000 1.089 667 N HN 0.525 nan 8.380 nan 0.000 0.449 668 R N 0.290 120.660 120.500 -0.217 0.000 2.410 668 R HA 0.378 4.718 4.340 -0.000 0.000 0.288 668 R C 0.277 176.410 176.300 -0.278 0.000 1.051 668 R CA -0.484 55.392 56.100 -0.373 0.000 1.021 668 R CB 0.587 30.373 30.300 -0.857 0.000 1.032 668 R HN 0.589 nan 8.270 nan 0.000 0.481 669 T N -1.036 113.528 114.554 0.018 0.000 2.932 669 T HA 0.687 5.036 4.350 -0.000 0.000 0.289 669 T C -0.786 174.222 174.700 0.514 0.000 1.039 669 T CA -0.756 61.491 62.100 0.245 0.000 1.024 669 T CB 1.432 70.406 68.868 0.176 0.000 1.090 669 T HN 0.464 nan 8.240 nan 0.000 0.496 670 F N 0.549 120.713 119.950 0.357 0.000 2.639 670 F HA 0.436 4.963 4.527 -0.000 0.000 0.326 670 F C -1.026 174.890 175.800 0.193 0.000 1.150 670 F CA -0.571 57.621 58.000 0.319 0.000 1.057 670 F CB 1.734 41.013 39.000 0.465 0.000 1.300 670 F HN 0.724 nan 8.300 nan 0.000 0.486 671 T N 4.314 118.538 114.554 -0.549 0.000 2.747 671 T HA 0.348 4.698 4.350 -0.000 0.000 0.301 671 T C 0.121 174.376 174.700 -0.741 0.000 0.952 671 T CA -0.316 61.512 62.100 -0.453 0.000 0.983 671 T CB 0.217 68.940 68.868 -0.243 0.000 0.930 671 T HN 0.698 nan 8.240 nan 0.000 0.494 672 T N 3.442 117.736 114.554 -0.433 0.000 2.926 672 T HA 0.317 4.667 4.350 -0.000 0.000 0.307 672 T C -2.202 172.414 174.700 -0.140 0.000 1.059 672 T CA -1.554 60.397 62.100 -0.248 0.000 1.122 672 T CB 0.372 69.236 68.868 -0.007 0.000 0.972 672 T HN 0.237 nan 8.240 nan 0.000 0.545 673 P HA 0.148 nan 4.420 nan 0.000 0.274 673 P C 1.042 178.340 177.300 -0.003 0.000 1.246 673 P CA -0.421 62.663 63.100 -0.026 0.000 0.795 673 P CB 0.635 32.344 31.700 0.016 0.000 1.006 674 T N -2.656 111.898 114.554 0.001 0.000 3.014 674 T HA 0.067 4.417 4.350 -0.000 0.000 0.263 674 T C 0.935 175.645 174.700 0.018 0.000 1.078 674 T CA 0.551 62.654 62.100 0.006 0.000 1.135 674 T CB -0.416 68.454 68.868 0.003 0.000 0.895 674 T HN 0.666 nan 8.240 nan 0.000 0.480 675 S N -1.066 114.651 115.700 0.028 0.000 2.625 675 S HA 0.715 5.185 4.470 -0.000 0.000 0.271 675 S C 0.284 174.920 174.600 0.060 0.000 1.161 675 S CA -0.384 57.841 58.200 0.041 0.000 0.820 675 S CB 1.438 64.659 63.200 0.035 0.000 1.137 675 S HN 1.325 nan 8.310 nan 0.000 0.470 676 G N 0.731 109.581 108.800 0.082 0.000 2.553 676 G HA2 0.179 4.139 3.960 -0.000 0.000 0.242 676 G HA3 0.179 4.139 3.960 -0.000 0.000 0.242 676 G C -0.031 174.941 174.900 0.119 0.000 1.277 676 G CA 0.500 45.660 45.100 0.101 0.000 0.910 676 G HN 2.280 nan 8.290 nan 0.000 0.576 677 T N -2.519 112.103 114.554 0.113 0.000 2.858 677 T HA 1.020 5.370 4.350 -0.000 0.000 0.285 677 T C -0.129 174.635 174.700 0.107 0.000 1.052 677 T CA 0.420 62.594 62.100 0.123 0.000 1.009 677 T CB 1.782 70.731 68.868 0.136 0.000 1.241 677 T HN 2.619 nan 8.240 nan 0.000 0.542 678 A N 0.281 123.163 122.820 0.103 0.000 2.594 678 A HA 0.753 5.073 4.320 -0.000 0.000 0.295 678 A C -0.738 176.855 177.584 0.015 0.000 1.071 678 A CA -0.896 51.210 52.037 0.115 0.000 0.685 678 A CB 1.550 20.698 19.000 0.247 0.000 1.285 678 A HN 0.913 nan 8.150 nan 0.000 0.405 679 T N 1.156 115.709 114.554 -0.002 0.000 2.840 679 T HA 0.524 4.874 4.350 -0.000 0.000 0.287 679 T C -0.946 173.651 174.700 -0.170 0.000 0.991 679 T CA -0.353 61.690 62.100 -0.094 0.000 0.964 679 T CB 1.346 70.218 68.868 0.006 0.000 0.954 679 T HN 0.604 nan 8.240 nan 0.000 0.438 680 V N 4.603 124.298 119.914 -0.366 0.000 2.370 680 V HA 0.438 4.558 4.120 -0.000 0.000 0.279 680 V C 0.014 176.068 176.094 -0.066 0.000 1.029 680 V CA -0.783 61.322 62.300 -0.324 0.000 0.870 680 V CB 1.257 32.709 31.823 -0.618 0.000 0.984 680 V HN 0.741 nan 8.190 nan 0.000 0.451 681 N N 4.143 122.842 118.700 -0.001 0.000 2.417 681 N HA 0.677 5.417 4.740 -0.000 0.000 0.274 681 N C -0.862 174.681 175.510 0.055 0.000 0.987 681 N CA -0.093 52.967 53.050 0.017 0.000 0.912 681 N CB 2.125 40.623 38.487 0.018 0.000 1.177 681 N HN 0.560 nan 8.380 nan 0.000 0.490 682 V N 0.897 120.832 119.914 0.036 0.000 3.202 682 V HA 0.697 4.817 4.120 -0.000 0.000 0.306 682 V C -0.901 175.182 176.094 -0.019 0.000 1.283 682 V CA -1.120 61.201 62.300 0.036 0.000 1.065 682 V CB 1.993 33.875 31.823 0.098 0.000 1.079 682 V HN 0.574 nan 8.190 nan 0.000 0.448 683 N N 0.735 119.433 118.700 -0.002 0.000 2.284 683 N HA 0.360 5.100 4.740 -0.000 0.000 0.300 683 N C -1.063 174.473 175.510 0.042 0.000 1.047 683 N CA -0.525 52.538 53.050 0.022 0.000 0.821 683 N CB 1.849 40.358 38.487 0.036 0.000 1.337 683 N HN 0.983 nan 8.380 nan 0.000 0.482 684 W N 3.114 124.351 121.300 -0.106 0.000 2.385 684 W HA -0.032 4.628 4.660 -0.000 0.000 0.336 684 W C -0.728 175.774 176.519 -0.027 0.000 1.351 684 W CA 0.496 57.790 57.345 -0.084 0.000 1.295 684 W CB 0.517 29.927 29.460 -0.082 0.000 1.239 684 W HN 0.362 nan 8.180 nan 0.000 0.565 685 Q N 8.559 128.021 119.800 -0.564 0.000 2.314 685 Q HA 0.293 4.633 4.340 -0.000 0.000 0.259 685 Q C -1.835 173.793 176.000 -0.621 0.000 0.951 685 Q CA -1.676 53.878 55.803 -0.415 0.000 0.909 685 Q CB 1.898 30.465 28.738 -0.285 0.000 1.236 685 Q HN 0.306 nan 8.270 nan 0.000 0.444 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.054 63.100 -0.076 0.000 0.800 686 P CB 0.000 31.748 31.700 0.081 0.000 0.726