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 3ceh_1_B DATA FIRST_RESID 23 DATA SEQUENCE NVAELKKSFN RHLHFTLVKD RNVATTRDYY FALAHTVRDH LVGRWIRTQQ DATA SEQUENCE HYYDKCPKRV YYLSLEFYMG RTLQNTMINL GLQNACDEAI YQLGLDIEEL DATA SEQUENCE EEIEEDAGLG NGGLGRLAAC FLDSMATLGL AAYGYGIRYE YGIFNQKIRD DATA SEQUENCE GWQVEEADDW LRYGNPWEKS RPEFMLPVHF YGKVEHTNTG TKWIDTQVVL DATA SEQUENCE ALPYDTPVPG YMNNTVNTMR LWSARAPNDF XXXXXXXXDY IQAVLDRNLA DATA SEQUENCE ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK ASKFXXXXXX DATA SEQUENCE XTVFDAFPDQ VAIQLNDTHP ALAIPELMRI FVDIEKLPWS KAWELTQKTF DATA SEQUENCE AYTNHTVLPE ALERWPVDLV EKLLPRHLEI IYEINQKHLD RIVALFPKDV DATA SEQUENCE DRLRRMSLIE EEGSKRINMA HLCIVGSHAV NGVAKIHSDI VKTKVFKDFS DATA SEQUENCE ELEPDKFQNK TNGITPRRWL LLCNPGLAEL IAEKIGEDYV KDLSQLTKLH DATA SEQUENCE SFLGDDVFLR ELAKVKQENK LKFSQFLETE YKVKINPSSM FDVQVKRIHE DATA SEQUENCE YKRQLLNCLH VITMYNRIKK DPKKLFVPRT VIIGGKAAPG YHMAKMIIKL DATA SEQUENCE ITSVADVVNN DPMVGSKLKV IFLENYRVSL AEKVIPATDL SEQISTAGTE DATA SEQUENCE ASGTGNMKFM LNGALTIGTM DGANVEMAEE AGEENLFIFG MRIDDVAALD DATA SEQUENCE KKGYEAKEYY EALPELKLVI DQIDNGFFSP KQPDLFKDII NMLFYHDRFK DATA SEQUENCE VFADYEAYVK CQDKVSQLYM NPKAWNTMVL KNIAASGKFS SDRTIKEYAQ DATA SEQUENCE NIWNVEPSD 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 23 N HA 0.000 nan 4.740 nan 0.000 0.220 23 N C 0.000 175.535 175.510 0.042 0.000 1.280 23 N CA 0.000 53.075 53.050 0.041 0.000 0.885 23 N CB 0.000 38.508 38.487 0.036 0.000 1.341 24 V N 0.296 120.227 119.914 0.028 0.000 2.255 24 V HA -0.179 3.943 4.120 0.002 0.000 0.247 24 V C 2.524 178.637 176.094 0.032 0.000 1.051 24 V CA 2.934 65.248 62.300 0.024 0.000 1.018 24 V CB -1.477 30.357 31.823 0.019 0.000 0.641 24 V HN 0.865 nan 8.190 nan 0.000 0.445 25 A N -0.623 122.217 122.820 0.034 0.000 1.930 25 A HA -0.170 4.152 4.320 0.002 0.000 0.217 25 A C 2.193 179.809 177.584 0.054 0.000 1.175 25 A CA 1.535 53.594 52.037 0.035 0.000 0.627 25 A CB -0.363 18.654 19.000 0.029 0.000 0.815 25 A HN 0.537 nan 8.150 nan 0.000 0.443 26 E N 0.149 120.388 120.200 0.066 0.000 2.072 26 E HA -0.077 4.274 4.350 0.002 0.000 0.190 26 E C 2.034 178.711 176.600 0.130 0.000 0.982 26 E CA 0.750 57.203 56.400 0.089 0.000 0.803 26 E CB -0.488 29.266 29.700 0.090 0.000 0.755 26 E HN 0.667 nan 8.360 nan 0.000 0.453 27 L N 0.961 122.261 121.223 0.129 0.000 2.083 27 L HA -0.185 4.156 4.340 0.002 0.000 0.209 27 L C 2.438 179.411 176.870 0.172 0.000 1.083 27 L CA 1.229 56.163 54.840 0.156 0.000 0.752 27 L CB -0.308 41.799 42.059 0.081 0.000 0.899 27 L HN 0.051 nan 8.230 nan 0.000 0.433 28 K N 0.014 120.479 120.400 0.108 0.000 2.057 28 K HA -0.142 4.179 4.320 0.002 0.000 0.206 28 K C 2.101 178.806 176.600 0.174 0.000 1.050 28 K CA 1.044 57.393 56.287 0.103 0.000 0.935 28 K CB -0.082 32.437 32.500 0.030 0.000 0.715 28 K HN 0.283 nan 8.250 nan 0.000 0.439 29 K N 0.603 121.083 120.400 0.135 0.000 2.148 29 K HA -0.034 4.288 4.320 0.002 0.000 0.204 29 K C 2.238 178.934 176.600 0.160 0.000 1.050 29 K CA 1.010 57.374 56.287 0.128 0.000 0.942 29 K CB 0.032 32.582 32.500 0.082 0.000 0.724 29 K HN 0.027 nan 8.250 nan 0.000 0.446 30 S N 1.187 117.003 115.700 0.194 0.000 2.355 30 S HA -0.116 4.355 4.470 0.002 0.000 0.222 30 S C 1.630 176.406 174.600 0.294 0.000 1.031 30 S CA 0.851 59.175 58.200 0.207 0.000 0.993 30 S CB -0.405 62.956 63.200 0.269 0.000 0.859 30 S HN 0.280 nan 8.310 nan 0.000 0.453 31 F N 3.074 123.138 119.950 0.191 0.000 2.043 31 F HA -0.280 4.248 4.527 0.002 0.000 0.297 31 F C 1.906 177.825 175.800 0.199 0.000 1.118 31 F CA 2.006 60.127 58.000 0.201 0.000 1.202 31 F CB -0.776 38.303 39.000 0.131 0.000 0.965 31 F HN 0.213 nan 8.300 nan 0.000 0.482 32 N N -0.425 118.493 118.700 0.363 0.000 2.149 32 N HA -0.191 4.551 4.740 0.002 0.000 0.188 32 N C 1.881 177.478 175.510 0.145 0.000 1.019 32 N CA 1.039 54.222 53.050 0.222 0.000 0.857 32 N CB -0.214 38.397 38.487 0.206 0.000 0.997 32 N HN 0.310 nan 8.380 nan 0.000 0.426 33 R N 0.065 120.655 120.500 0.150 0.000 2.081 33 R HA -0.101 4.240 4.340 0.002 0.000 0.235 33 R C 1.665 178.068 176.300 0.172 0.000 1.131 33 R CA 1.322 57.541 56.100 0.200 0.000 0.960 33 R CB -0.268 30.074 30.300 0.070 0.000 0.856 33 R HN 0.482 nan 8.270 nan 0.000 0.436 34 H N -0.258 118.857 119.070 0.075 0.000 2.363 34 H HA -0.085 4.473 4.556 0.002 0.000 0.301 34 H C 1.907 177.180 175.328 -0.093 0.000 1.074 34 H CA 1.145 57.175 56.048 -0.030 0.000 1.354 34 H CB 0.089 29.799 29.762 -0.086 0.000 1.397 34 H HN 0.017 nan 8.280 nan 0.000 0.516 35 L N 0.218 121.422 121.223 -0.031 0.000 2.042 35 L HA -0.211 4.130 4.340 0.002 0.000 0.210 35 L C 2.203 179.059 176.870 -0.023 0.000 1.076 35 L CA 1.932 56.726 54.840 -0.075 0.000 0.749 35 L CB -0.568 41.436 42.059 -0.093 0.000 0.893 35 L HN 0.317 nan 8.230 nan 0.000 0.432 36 H N -1.591 117.427 119.070 -0.087 0.000 2.284 36 H HA -0.091 4.467 4.556 0.002 0.000 0.304 36 H C 1.766 176.917 175.328 -0.296 0.000 1.069 36 H CA 2.397 58.312 56.048 -0.223 0.000 1.327 36 H CB -0.312 29.259 29.762 -0.318 0.000 1.387 36 H HN 0.332 nan 8.280 nan 0.000 0.498 37 F N -0.712 119.145 119.950 -0.155 0.000 2.317 37 F HA 0.037 4.565 4.527 0.002 0.000 0.293 37 F C 2.514 178.203 175.800 -0.185 0.000 1.085 37 F CA 1.272 59.151 58.000 -0.203 0.000 1.390 37 F CB -0.145 38.787 39.000 -0.113 0.000 1.077 37 F HN 0.145 nan 8.300 nan 0.000 0.517 38 T N -0.150 114.417 114.554 0.021 0.000 3.035 38 T HA 0.084 4.435 4.350 0.002 0.000 0.259 38 T C 1.595 176.189 174.700 -0.176 0.000 1.078 38 T CA 0.714 62.748 62.100 -0.110 0.000 1.132 38 T CB 0.161 68.910 68.868 -0.198 0.000 0.900 38 T HN -0.030 nan 8.240 nan 0.000 0.480 39 L N 0.594 121.727 121.223 -0.150 0.000 2.701 39 L HA 0.312 4.654 4.340 0.002 0.000 0.238 39 L C 0.864 177.636 176.870 -0.163 0.000 1.106 39 L CA 0.374 55.118 54.840 -0.160 0.000 0.898 39 L CB -0.313 41.671 42.059 -0.124 0.000 1.188 39 L HN 0.043 nan 8.230 nan 0.000 0.508 40 V N 0.135 119.925 119.914 -0.207 0.000 5.325 40 V HA -0.277 3.845 4.120 0.002 0.000 0.291 40 V C 0.401 176.381 176.094 -0.190 0.000 0.541 40 V CA 1.021 63.169 62.300 -0.253 0.000 0.687 40 V CB -2.126 29.582 31.823 -0.192 0.000 0.491 40 V HN 0.368 nan 8.190 nan 0.000 1.145 41 K N 1.142 121.450 120.400 -0.153 0.000 2.371 41 K HA 0.677 4.998 4.320 0.002 0.000 0.251 41 K C -0.368 176.227 176.600 -0.008 0.000 0.934 41 K CA -0.422 55.814 56.287 -0.084 0.000 0.798 41 K CB 2.650 35.093 32.500 -0.096 0.000 1.204 41 K HN 0.572 nan 8.250 nan 0.000 0.427 42 D N -0.020 120.391 120.400 0.018 0.000 2.299 42 D HA 0.308 4.949 4.640 0.002 0.000 0.243 42 D C 0.816 177.165 176.300 0.081 0.000 0.982 42 D CA -0.689 53.353 54.000 0.069 0.000 0.924 42 D CB 1.078 41.923 40.800 0.074 0.000 1.238 42 D HN 0.098 nan 8.370 nan 0.000 0.484 43 R N 1.162 121.744 120.500 0.137 0.000 2.153 43 R HA -0.195 4.146 4.340 0.002 0.000 0.252 43 R C 1.166 177.548 176.300 0.137 0.000 1.158 43 R CA 1.053 57.276 56.100 0.206 0.000 0.975 43 R CB -1.156 29.256 30.300 0.187 0.000 0.871 43 R HN 0.579 nan 8.270 nan 0.000 0.450 44 N N 0.578 119.326 118.700 0.080 0.000 2.184 44 N HA -0.139 4.602 4.740 0.002 0.000 0.190 44 N C 1.385 176.913 175.510 0.030 0.000 1.011 44 N CA 1.865 54.945 53.050 0.050 0.000 0.867 44 N CB 0.110 38.616 38.487 0.031 0.000 0.993 44 N HN 0.336 nan 8.380 nan 0.000 0.433 45 V N -4.271 115.647 119.914 0.007 0.000 3.172 45 V HA 0.583 4.704 4.120 0.002 0.000 0.343 45 V C 0.166 176.215 176.094 -0.074 0.000 1.429 45 V CA -0.647 61.639 62.300 -0.023 0.000 1.149 45 V CB -0.022 31.787 31.823 -0.024 0.000 1.106 45 V HN 0.082 nan 8.190 nan 0.000 0.526 46 A N 2.032 124.786 122.820 -0.110 0.000 2.454 46 A HA 0.598 4.919 4.320 0.002 0.000 0.260 46 A C 0.875 178.219 177.584 -0.399 0.000 1.106 46 A CA 0.793 52.645 52.037 -0.308 0.000 0.780 46 A CB -0.018 18.711 19.000 -0.452 0.000 1.044 46 A HN 0.941 nan 8.150 nan 0.000 0.498 47 T N 0.191 114.547 114.554 -0.329 0.000 2.816 47 T HA 0.278 4.629 4.350 0.002 0.000 0.282 47 T C 1.253 175.797 174.700 -0.261 0.000 0.993 47 T CA 0.386 62.354 62.100 -0.220 0.000 0.994 47 T CB 0.574 69.374 68.868 -0.113 0.000 1.025 47 T HN 0.484 nan 8.240 nan 0.000 0.529 48 T N 0.299 114.828 114.554 -0.042 0.000 2.788 48 T HA -0.080 4.271 4.350 0.002 0.000 0.268 48 T C 1.994 176.780 174.700 0.144 0.000 1.044 48 T CA 1.426 63.602 62.100 0.128 0.000 1.139 48 T CB -0.334 68.615 68.868 0.135 0.000 0.867 48 T HN 0.719 nan 8.240 nan 0.000 0.454 49 R N 1.174 121.715 120.500 0.068 0.000 2.081 49 R HA -0.140 4.202 4.340 0.002 0.000 0.235 49 R C 1.824 178.277 176.300 0.255 0.000 1.131 49 R CA 1.837 58.022 56.100 0.141 0.000 0.960 49 R CB -0.296 30.035 30.300 0.053 0.000 0.856 49 R HN 0.243 nan 8.270 nan 0.000 0.436 50 D N -0.152 120.291 120.400 0.071 0.000 2.116 50 D HA -0.206 4.436 4.640 0.002 0.000 0.193 50 D C 1.824 178.180 176.300 0.092 0.000 0.998 50 D CA 1.484 55.494 54.000 0.018 0.000 0.836 50 D CB -0.521 40.147 40.800 -0.220 0.000 0.951 50 D HN 0.288 nan 8.370 nan 0.000 0.449 51 Y N 0.157 120.561 120.300 0.173 0.000 2.097 51 Y HA -0.234 4.318 4.550 0.002 0.000 0.282 51 Y C 2.393 178.443 175.900 0.251 0.000 1.152 51 Y CA 0.537 58.780 58.100 0.237 0.000 1.136 51 Y CB -1.462 37.202 38.460 0.340 0.000 0.975 51 Y HN 0.101 nan 8.280 nan 0.000 0.498 52 Y N -0.228 120.241 120.300 0.281 0.000 2.053 52 Y HA -0.347 4.204 4.550 0.002 0.000 0.277 52 Y C 2.202 178.160 175.900 0.097 0.000 1.159 52 Y CA 1.451 59.635 58.100 0.140 0.000 1.125 52 Y CB -1.267 37.179 38.460 -0.024 0.000 0.969 52 Y HN 0.015 nan 8.280 nan 0.000 0.492 53 F N 0.455 120.286 119.950 -0.198 0.000 2.087 53 F HA -0.319 4.209 4.527 0.002 0.000 0.299 53 F C 2.726 178.405 175.800 -0.201 0.000 1.100 53 F CA 2.017 59.844 58.000 -0.287 0.000 1.226 53 F CB -1.379 37.610 39.000 -0.019 0.000 0.983 53 F HN 0.242 nan 8.300 nan 0.000 0.479 54 A N -0.411 122.426 122.820 0.029 0.000 1.902 54 A HA -0.176 4.145 4.320 0.002 0.000 0.217 54 A C 2.126 179.645 177.584 -0.108 0.000 1.181 54 A CA 1.778 53.715 52.037 -0.167 0.000 0.623 54 A CB -1.138 17.513 19.000 -0.582 0.000 0.818 54 A HN 0.391 nan 8.150 nan 0.000 0.443 55 L N -0.413 120.856 121.223 0.077 0.000 2.056 55 L HA 0.039 4.380 4.340 0.002 0.000 0.207 55 L C 2.588 179.467 176.870 0.016 0.000 1.078 55 L CA 2.087 57.071 54.840 0.239 0.000 0.749 55 L CB -0.824 41.457 42.059 0.370 0.000 0.901 55 L HN 0.326 nan 8.230 nan 0.000 0.433 56 A N -0.851 121.827 122.820 -0.237 0.000 1.859 56 A HA -0.282 4.039 4.320 0.002 0.000 0.217 56 A C 2.278 179.569 177.584 -0.488 0.000 1.198 56 A CA 1.974 53.765 52.037 -0.410 0.000 0.629 56 A CB -1.212 17.245 19.000 -0.905 0.000 0.830 56 A HN 0.688 nan 8.150 nan 0.000 0.446 57 H N -0.534 118.238 119.070 -0.497 0.000 2.319 57 H HA -0.117 4.441 4.556 0.002 0.000 0.297 57 H C 2.407 177.488 175.328 -0.411 0.000 1.097 57 H CA 2.042 57.713 56.048 -0.628 0.000 1.285 57 H CB -0.685 28.423 29.762 -1.090 0.000 1.368 57 H HN 0.488 nan 8.280 nan 0.000 0.495 58 T N 0.701 115.198 114.554 -0.094 0.000 2.684 58 T HA -0.115 4.237 4.350 0.002 0.000 0.267 58 T C 2.436 177.289 174.700 0.255 0.000 1.036 58 T CA 1.467 63.708 62.100 0.234 0.000 1.148 58 T CB -0.467 68.594 68.868 0.320 0.000 0.863 58 T HN 0.081 nan 8.240 nan 0.000 0.436 59 V N 1.314 121.317 119.914 0.149 0.000 2.358 59 V HA -0.119 4.002 4.120 0.002 0.000 0.246 59 V C 2.604 178.827 176.094 0.215 0.000 1.047 59 V CA 1.661 64.061 62.300 0.167 0.000 1.035 59 V CB -0.595 31.339 31.823 0.185 0.000 0.658 59 V HN 0.365 nan 8.190 nan 0.000 0.452 60 R N 0.045 120.609 120.500 0.107 0.000 2.127 60 R HA -0.203 4.138 4.340 0.002 0.000 0.238 60 R C 1.915 178.297 176.300 0.136 0.000 1.134 60 R CA 1.882 58.037 56.100 0.092 0.000 0.975 60 R CB -0.345 29.826 30.300 -0.215 0.000 0.865 60 R HN 0.477 nan 8.270 nan 0.000 0.447 61 D N -0.293 120.197 120.400 0.150 0.000 2.178 61 D HA -0.144 4.497 4.640 0.002 0.000 0.201 61 D C 1.317 177.684 176.300 0.111 0.000 0.980 61 D CA 1.044 55.131 54.000 0.146 0.000 0.842 61 D CB -0.254 40.652 40.800 0.178 0.000 0.948 61 D HN 0.446 nan 8.370 nan 0.000 0.472 62 H N -0.421 118.705 119.070 0.094 0.000 2.556 62 H HA 0.014 4.572 4.556 0.002 0.000 0.268 62 H C 1.193 176.560 175.328 0.065 0.000 0.996 62 H CA 0.429 56.521 56.048 0.073 0.000 1.157 62 H CB 0.527 30.328 29.762 0.064 0.000 1.355 62 H HN 0.171 nan 8.280 nan 0.000 0.597 63 L N -3.602 117.725 121.223 0.173 0.000 2.858 63 L HA 0.196 4.537 4.340 0.002 0.000 0.251 63 L C 1.681 178.657 176.870 0.176 0.000 1.149 63 L CA 0.086 55.002 54.840 0.126 0.000 0.955 63 L CB -0.693 41.403 42.059 0.062 0.000 1.289 63 L HN -0.206 nan 8.230 nan 0.000 0.542 64 V N 1.532 121.557 119.914 0.186 0.000 2.255 64 V HA -0.168 3.953 4.120 0.002 0.000 0.247 64 V C 2.710 178.905 176.094 0.169 0.000 1.051 64 V CA 2.365 64.799 62.300 0.223 0.000 1.018 64 V CB -1.461 30.447 31.823 0.142 0.000 0.641 64 V HN 0.578 nan 8.190 nan 0.000 0.445 65 G N -0.301 108.555 108.800 0.094 0.000 2.459 65 G HA2 -0.271 3.690 3.960 0.002 0.000 0.217 65 G HA3 -0.271 3.690 3.960 0.002 0.000 0.217 65 G C 1.752 176.693 174.900 0.068 0.000 1.183 65 G CA 0.922 46.056 45.100 0.056 0.000 0.776 65 G HN 0.427 nan 8.290 nan 0.000 0.552 66 R N -1.409 119.137 120.500 0.077 0.000 2.096 66 R HA -0.107 4.235 4.340 0.002 0.000 0.235 66 R C 2.261 178.643 176.300 0.137 0.000 1.127 66 R CA 1.187 57.326 56.100 0.065 0.000 0.968 66 R CB -0.338 29.984 30.300 0.037 0.000 0.861 66 R HN 0.505 nan 8.270 nan 0.000 0.440 67 W N 1.462 122.739 121.300 -0.037 0.000 2.354 67 W HA -0.111 4.550 4.660 0.002 0.000 0.315 67 W C 1.744 178.229 176.519 -0.057 0.000 1.206 67 W CA 1.024 58.343 57.345 -0.044 0.000 1.290 67 W CB -0.747 28.706 29.460 -0.010 0.000 1.152 67 W HN -0.050 nan 8.180 nan 0.000 0.489 68 I N 0.343 120.958 120.570 0.074 0.000 2.099 68 I HA -0.357 3.814 4.170 0.002 0.000 0.239 68 I C 2.703 178.806 176.117 -0.024 0.000 1.066 68 I CA 1.858 63.126 61.300 -0.053 0.000 1.324 68 I CB -0.745 37.226 38.000 -0.048 0.000 1.037 68 I HN -0.145 nan 8.210 nan 0.000 0.401 69 R N -0.062 120.441 120.500 0.005 0.000 2.117 69 R HA -0.167 4.174 4.340 0.002 0.000 0.243 69 R C 2.336 178.611 176.300 -0.041 0.000 1.143 69 R CA 2.036 58.135 56.100 -0.001 0.000 0.968 69 R CB -0.727 29.575 30.300 0.002 0.000 0.863 69 R HN 0.397 nan 8.270 nan 0.000 0.444 70 T N 0.871 115.370 114.554 -0.092 0.000 2.674 70 T HA -0.147 4.205 4.350 0.002 0.000 0.265 70 T C 1.813 176.175 174.700 -0.564 0.000 1.039 70 T CA 1.120 63.038 62.100 -0.302 0.000 1.150 70 T CB -0.098 68.630 68.868 -0.235 0.000 0.864 70 T HN 0.219 nan 8.240 nan 0.000 0.427 71 Q N 0.779 120.398 119.800 -0.301 0.000 2.119 71 Q HA -0.095 4.247 4.340 0.002 0.000 0.201 71 Q C 2.313 178.307 176.000 -0.009 0.000 0.972 71 Q CA 1.230 56.932 55.803 -0.168 0.000 0.847 71 Q CB -0.455 28.258 28.738 -0.041 0.000 0.903 71 Q HN 0.664 nan 8.270 nan 0.000 0.433 72 Q N 0.071 119.871 119.800 0.001 0.000 2.050 72 Q HA -0.249 4.093 4.340 0.002 0.000 0.202 72 Q C 2.028 178.125 176.000 0.161 0.000 0.980 72 Q CA 1.886 57.748 55.803 0.098 0.000 0.840 72 Q CB -0.228 28.552 28.738 0.069 0.000 0.898 72 Q HN 0.517 nan 8.270 nan 0.000 0.424 73 H N -0.902 118.171 119.070 0.005 0.000 2.390 73 H HA -0.206 4.351 4.556 0.002 0.000 0.298 73 H C 1.386 176.835 175.328 0.202 0.000 1.106 73 H CA 2.300 58.382 56.048 0.057 0.000 1.297 73 H CB -0.185 29.577 29.762 0.001 0.000 1.375 73 H HN 0.397 nan 8.280 nan 0.000 0.509 74 Y N -0.913 119.465 120.300 0.131 0.000 2.181 74 Y HA -0.225 4.326 4.550 0.002 0.000 0.288 74 Y C 2.477 178.435 175.900 0.097 0.000 1.146 74 Y CA 1.214 59.371 58.100 0.094 0.000 1.164 74 Y CB -1.440 37.130 38.460 0.184 0.000 0.982 74 Y HN 0.399 nan 8.280 nan 0.000 0.515 75 Y N 0.905 121.312 120.300 0.178 0.000 2.220 75 Y HA -0.144 4.407 4.550 0.002 0.000 0.291 75 Y C 2.241 178.169 175.900 0.047 0.000 1.129 75 Y CA 1.601 59.766 58.100 0.109 0.000 1.161 75 Y CB -0.454 38.066 38.460 0.100 0.000 0.997 75 Y HN 0.105 nan 8.280 nan 0.000 0.522 76 D N 0.312 120.691 120.400 -0.034 0.000 2.119 76 D HA -0.186 4.455 4.640 0.002 0.000 0.199 76 D C 1.605 177.807 176.300 -0.163 0.000 0.987 76 D CA 1.754 55.670 54.000 -0.140 0.000 0.858 76 D CB -0.084 40.682 40.800 -0.056 0.000 1.008 76 D HN 0.078 nan 8.370 nan 0.000 0.450 77 K N -0.045 120.229 120.400 -0.211 0.000 2.555 77 K HA 0.066 4.387 4.320 0.002 0.000 0.193 77 K C 0.543 177.108 176.600 -0.059 0.000 1.032 77 K CA 0.041 56.223 56.287 -0.175 0.000 1.004 77 K CB -1.207 31.094 32.500 -0.331 0.000 0.804 77 K HN 0.347 nan 8.250 nan 0.000 0.496 78 C N 2.282 121.568 119.300 -0.025 0.000 3.267 78 C HA -0.112 4.349 4.460 0.002 0.000 0.260 78 C C -1.702 173.267 174.990 -0.035 0.000 1.396 78 C CA -1.154 57.874 59.018 0.017 0.000 2.176 78 C CB -2.379 25.433 27.740 0.121 0.000 1.417 78 C HN 0.366 nan 8.230 nan 0.000 0.517 79 P HA 0.142 nan 4.420 nan 0.000 0.272 79 P C -0.045 177.165 177.300 -0.150 0.000 1.230 79 P CA 0.145 63.198 63.100 -0.079 0.000 0.788 79 P CB 0.600 32.251 31.700 -0.080 0.000 0.949 80 K N 2.218 122.528 120.400 -0.150 0.000 2.447 80 K HA 0.030 4.351 4.320 0.002 0.000 0.281 80 K C 0.043 176.504 176.600 -0.231 0.000 1.031 80 K CA 0.023 56.197 56.287 -0.187 0.000 1.019 80 K CB 0.186 32.602 32.500 -0.140 0.000 0.918 80 K HN 0.332 nan 8.250 nan 0.000 0.476 81 R N 2.417 122.746 120.500 -0.286 0.000 2.349 81 R HA 0.255 4.596 4.340 0.002 0.000 0.299 81 R C -0.714 175.268 176.300 -0.529 0.000 1.027 81 R CA -0.766 55.089 56.100 -0.410 0.000 0.958 81 R CB 1.530 31.574 30.300 -0.427 0.000 1.047 81 R HN 0.286 nan 8.270 nan 0.000 0.468 82 V N 4.336 123.916 119.914 -0.556 0.000 2.383 82 V HA 0.209 4.331 4.120 0.002 0.000 0.275 82 V C -0.904 174.880 176.094 -0.518 0.000 1.036 82 V CA -0.537 61.380 62.300 -0.638 0.000 0.889 82 V CB 0.690 31.973 31.823 -0.900 0.000 0.985 82 V HN 0.584 nan 8.190 nan 0.000 0.459 83 Y N 4.254 124.499 120.300 -0.092 0.000 2.417 83 Y HA 0.384 4.935 4.550 0.002 0.000 0.336 83 Y C -0.274 175.731 175.900 0.174 0.000 0.961 83 Y CA -0.910 57.273 58.100 0.138 0.000 1.215 83 Y CB 0.875 39.389 38.460 0.090 0.000 1.120 83 Y HN 0.632 nan 8.280 nan 0.000 0.499 84 Y N 4.869 125.357 120.300 0.313 0.000 2.504 84 Y HA 0.401 4.952 4.550 0.002 0.000 0.351 84 Y C -0.958 175.229 175.900 0.478 0.000 0.988 84 Y CA -0.743 57.559 58.100 0.337 0.000 1.239 84 Y CB 0.352 39.003 38.460 0.319 0.000 1.128 84 Y HN 0.564 nan 8.280 nan 0.000 0.525 85 L N 5.867 127.129 121.223 0.065 0.000 2.296 85 L HA 0.642 4.984 4.340 0.002 0.000 0.286 85 L C -0.777 176.161 176.870 0.113 0.000 1.023 85 L CA -0.034 54.939 54.840 0.221 0.000 0.812 85 L CB 1.328 43.493 42.059 0.177 0.000 1.223 85 L HN 0.546 nan 8.230 nan 0.000 0.421 86 S N 4.643 120.534 115.700 0.317 0.000 2.535 86 S HA 0.439 4.910 4.470 0.002 0.000 0.272 86 S C -0.080 174.747 174.600 0.379 0.000 1.149 86 S CA -0.744 57.592 58.200 0.226 0.000 0.888 86 S CB 0.964 64.135 63.200 -0.049 0.000 1.110 86 S HN 0.573 nan 8.310 nan 0.000 0.463 87 L N 2.565 124.000 121.223 0.354 0.000 2.612 87 L HA 0.430 4.772 4.340 0.002 0.000 0.230 87 L C 0.153 177.314 176.870 0.484 0.000 1.140 87 L CA 0.948 56.051 54.840 0.438 0.000 0.896 87 L CB -1.071 41.242 42.059 0.425 0.000 1.065 87 L HN 0.723 nan 8.230 nan 0.000 0.447 88 E N -0.499 119.902 120.200 0.334 0.000 2.307 88 E HA 0.314 4.665 4.350 0.002 0.000 0.280 88 E C -1.553 175.057 176.600 0.017 0.000 0.900 88 E CA -0.298 56.244 56.400 0.237 0.000 0.790 88 E CB 1.866 31.619 29.700 0.088 0.000 1.261 88 E HN -0.159 nan 8.360 nan 0.000 0.405 89 F N 2.252 122.323 119.950 0.202 0.000 2.513 89 F HA 0.200 4.728 4.527 0.002 0.000 0.358 89 F C -0.496 175.403 175.800 0.164 0.000 1.118 89 F CA -0.750 57.352 58.000 0.170 0.000 1.037 89 F CB 0.747 39.840 39.000 0.155 0.000 1.276 89 F HN 0.495 nan 8.300 nan 0.000 0.446 90 Y N 5.119 125.471 120.300 0.087 0.000 2.570 90 Y HA 0.154 4.706 4.550 0.002 0.000 0.336 90 Y C 0.970 176.878 175.900 0.014 0.000 1.284 90 Y CA -0.687 57.423 58.100 0.016 0.000 1.761 90 Y CB 0.217 38.669 38.460 -0.013 0.000 1.724 90 Y HN 0.536 nan 8.280 nan 0.000 0.455 91 M N 1.013 120.682 119.600 0.115 0.000 2.357 91 M HA 0.153 4.635 4.480 0.002 0.000 0.266 91 M C 1.518 177.741 176.300 -0.127 0.000 1.095 91 M CA 1.065 56.366 55.300 0.002 0.000 1.156 91 M CB -1.043 31.562 32.600 0.008 0.000 1.365 91 M HN 0.636 nan 8.290 nan 0.000 0.447 92 G N 1.301 109.997 108.800 -0.172 0.000 2.598 92 G HA2 -0.258 3.704 3.960 0.002 0.000 0.244 92 G HA3 -0.258 3.704 3.960 0.002 0.000 0.244 92 G C -0.366 174.429 174.900 -0.174 0.000 1.302 92 G CA -0.474 44.497 45.100 -0.215 0.000 0.903 92 G HN 0.432 nan 8.290 nan 0.000 0.575 93 R N -0.676 119.711 120.500 -0.189 0.000 2.539 93 R HA 0.518 4.859 4.340 0.002 0.000 0.275 93 R C 1.273 177.398 176.300 -0.291 0.000 1.077 93 R CA 0.385 56.378 56.100 -0.178 0.000 1.097 93 R CB 0.652 30.866 30.300 -0.144 0.000 1.018 93 R HN 0.536 nan 8.270 nan 0.000 0.483 94 T N 1.744 116.029 114.554 -0.448 0.000 3.034 94 T HA -0.037 4.314 4.350 0.002 0.000 0.248 94 T C 1.558 175.797 174.700 -0.767 0.000 1.040 94 T CA 0.035 61.664 62.100 -0.784 0.000 1.107 94 T CB 0.048 68.040 68.868 -1.460 0.000 0.932 94 T HN 0.386 nan 8.240 nan 0.000 0.474 95 L N 2.027 122.962 121.223 -0.481 0.000 1.951 95 L HA -0.164 4.178 4.340 0.002 0.000 0.222 95 L C 2.419 179.222 176.870 -0.112 0.000 1.078 95 L CA 2.138 56.913 54.840 -0.109 0.000 0.778 95 L CB -0.966 41.298 42.059 0.343 0.000 0.893 95 L HN 0.220 nan 8.230 nan 0.000 0.436 96 Q N -0.693 119.054 119.800 -0.087 0.000 2.061 96 Q HA -0.272 4.069 4.340 0.002 0.000 0.204 96 Q C 2.279 178.196 176.000 -0.138 0.000 0.984 96 Q CA 2.020 57.771 55.803 -0.086 0.000 0.846 96 Q CB -0.429 28.260 28.738 -0.083 0.000 0.902 96 Q HN 0.760 nan 8.270 nan 0.000 0.421 97 N N -1.010 117.566 118.700 -0.207 0.000 2.149 97 N HA -0.158 4.583 4.740 0.002 0.000 0.188 97 N C 1.369 176.772 175.510 -0.180 0.000 1.019 97 N CA 1.828 54.751 53.050 -0.211 0.000 0.857 97 N CB 0.008 38.335 38.487 -0.266 0.000 0.997 97 N HN 0.237 nan 8.380 nan 0.000 0.426 98 T N 1.445 115.859 114.554 -0.232 0.000 2.777 98 T HA -0.034 4.318 4.350 0.002 0.000 0.266 98 T C 2.089 176.736 174.700 -0.089 0.000 1.040 98 T CA 1.133 63.123 62.100 -0.185 0.000 1.141 98 T CB -0.051 68.656 68.868 -0.267 0.000 0.868 98 T HN 0.271 nan 8.240 nan 0.000 0.444 99 M N 0.441 120.003 119.600 -0.064 0.000 2.065 99 M HA -0.054 4.428 4.480 0.002 0.000 0.259 99 M C 2.329 178.599 176.300 -0.050 0.000 1.069 99 M CA 1.765 57.040 55.300 -0.041 0.000 1.110 99 M CB -0.821 31.765 32.600 -0.023 0.000 1.328 99 M HN 0.201 nan 8.290 nan 0.000 0.405 100 I N 0.868 121.411 120.570 -0.046 0.000 2.163 100 I HA -0.323 3.848 4.170 0.002 0.000 0.243 100 I C 1.721 177.836 176.117 -0.004 0.000 1.085 100 I CA 1.372 62.666 61.300 -0.011 0.000 1.347 100 I CB -0.601 37.398 38.000 -0.002 0.000 1.044 100 I HN 0.358 nan 8.210 nan 0.000 0.408 101 N N 0.199 118.888 118.700 -0.017 0.000 2.550 101 N HA -0.052 4.689 4.740 0.002 0.000 0.186 101 N C 1.072 176.494 175.510 -0.146 0.000 1.110 101 N CA 0.671 53.694 53.050 -0.046 0.000 0.912 101 N CB 0.024 38.504 38.487 -0.013 0.000 0.968 101 N HN 0.180 nan 8.380 nan 0.000 0.448 102 L N -0.579 120.579 121.223 -0.109 0.000 2.667 102 L HA 0.339 4.680 4.340 0.002 0.000 0.232 102 L C 1.179 177.983 176.870 -0.109 0.000 1.138 102 L CA -0.043 54.740 54.840 -0.096 0.000 0.921 102 L CB -0.871 41.160 42.059 -0.047 0.000 1.180 102 L HN 0.196 nan 8.230 nan 0.000 0.487 103 G N 0.069 108.787 108.800 -0.136 0.000 2.258 103 G HA2 -0.304 3.657 3.960 0.002 0.000 0.274 103 G HA3 -0.304 3.657 3.960 0.002 0.000 0.274 103 G C 0.990 175.844 174.900 -0.076 0.000 1.021 103 G CA 0.802 45.837 45.100 -0.109 0.000 0.798 103 G HN 0.414 nan 8.290 nan 0.000 0.507 104 L N -1.107 120.070 121.223 -0.077 0.000 2.664 104 L HA 0.196 4.537 4.340 0.002 0.000 0.233 104 L C 2.582 179.414 176.870 -0.063 0.000 1.113 104 L CA 0.700 55.487 54.840 -0.088 0.000 0.896 104 L CB 0.008 41.982 42.059 -0.142 0.000 1.163 104 L HN 0.454 nan 8.230 nan 0.000 0.497 105 Q N 0.815 120.588 119.800 -0.044 0.000 2.030 105 Q HA -0.243 4.099 4.340 0.002 0.000 0.204 105 Q C 1.717 177.701 176.000 -0.026 0.000 0.986 105 Q CA 2.115 57.900 55.803 -0.029 0.000 0.843 105 Q CB 0.181 28.905 28.738 -0.024 0.000 0.904 105 Q HN 0.455 nan 8.270 nan 0.000 0.420 106 N N 0.354 119.038 118.700 -0.027 0.000 2.069 106 N HA -0.165 4.577 4.740 0.002 0.000 0.191 106 N C 1.529 177.025 175.510 -0.024 0.000 1.031 106 N CA 1.547 54.582 53.050 -0.026 0.000 0.852 106 N CB -0.591 37.882 38.487 -0.023 0.000 1.018 106 N HN 0.369 nan 8.380 nan 0.000 0.423 107 A N 0.043 122.846 122.820 -0.028 0.000 1.972 107 A HA -0.122 4.199 4.320 0.002 0.000 0.219 107 A C 2.554 180.124 177.584 -0.022 0.000 1.169 107 A CA 1.191 53.214 52.037 -0.023 0.000 0.635 107 A CB -0.945 18.037 19.000 -0.029 0.000 0.810 107 A HN 0.442 nan 8.150 nan 0.000 0.446 108 C N -1.048 118.234 119.300 -0.029 0.000 2.466 108 C HA -0.060 4.401 4.460 0.002 0.000 0.278 108 C C 2.437 177.418 174.990 -0.014 0.000 1.288 108 C CA 0.849 59.855 59.018 -0.020 0.000 1.722 108 C CB -1.017 26.717 27.740 -0.009 0.000 2.017 108 C HN 0.630 nan 8.230 nan 0.000 0.488 109 D N 0.582 120.977 120.400 -0.008 0.000 2.126 109 D HA -0.190 4.451 4.640 0.002 0.000 0.190 109 D C 2.080 178.395 176.300 0.026 0.000 1.001 109 D CA 1.915 55.915 54.000 -0.000 0.000 0.841 109 D CB -0.255 40.533 40.800 -0.019 0.000 0.949 109 D HN 0.520 nan 8.370 nan 0.000 0.446 110 E N 0.378 120.591 120.200 0.021 0.000 2.072 110 E HA -0.055 4.296 4.350 0.002 0.000 0.191 110 E C 1.855 178.503 176.600 0.080 0.000 0.985 110 E CA 1.497 57.940 56.400 0.070 0.000 0.801 110 E CB -0.405 29.312 29.700 0.029 0.000 0.750 110 E HN 0.206 nan 8.360 nan 0.000 0.452 111 A N 0.929 123.752 122.820 0.004 0.000 1.883 111 A HA -0.161 4.160 4.320 0.002 0.000 0.217 111 A C 2.187 179.683 177.584 -0.147 0.000 1.186 111 A CA 1.637 53.641 52.037 -0.056 0.000 0.624 111 A CB -0.655 18.311 19.000 -0.056 0.000 0.822 111 A HN 0.354 nan 8.150 nan 0.000 0.444 112 I N -1.549 118.929 120.570 -0.152 0.000 2.315 112 I HA -0.186 3.986 4.170 0.002 0.000 0.248 112 I C 2.375 178.406 176.117 -0.145 0.000 1.117 112 I CA 1.364 62.518 61.300 -0.244 0.000 1.404 112 I CB -1.499 36.406 38.000 -0.158 0.000 1.071 112 I HN 0.588 nan 8.210 nan 0.000 0.419 113 Y N 2.148 122.365 120.300 -0.139 0.000 2.114 113 Y HA -0.269 4.282 4.550 0.002 0.000 0.284 113 Y C 2.691 178.529 175.900 -0.104 0.000 1.143 113 Y CA 1.884 59.924 58.100 -0.101 0.000 1.135 113 Y CB -0.549 37.871 38.460 -0.067 0.000 0.980 113 Y HN 0.189 nan 8.280 nan 0.000 0.499 114 Q N -0.147 119.515 119.800 -0.229 0.000 2.291 114 Q HA -0.119 4.222 4.340 0.002 0.000 0.206 114 Q C 1.732 177.558 176.000 -0.290 0.000 0.976 114 Q CA 1.336 56.958 55.803 -0.301 0.000 0.875 114 Q CB -0.144 28.535 28.738 -0.099 0.000 0.927 114 Q HN 0.534 nan 8.270 nan 0.000 0.450 115 L N -1.006 120.047 121.223 -0.283 0.000 2.612 115 L HA 0.165 4.507 4.340 0.002 0.000 0.230 115 L C 0.964 177.675 176.870 -0.265 0.000 1.140 115 L CA 0.234 54.914 54.840 -0.266 0.000 0.896 115 L CB 0.139 41.986 42.059 -0.354 0.000 1.065 115 L HN 0.294 nan 8.230 nan 0.000 0.447 116 G N 0.502 109.121 108.800 -0.301 0.000 2.160 116 G HA2 -0.256 3.706 3.960 0.002 0.000 0.244 116 G HA3 -0.256 3.706 3.960 0.002 0.000 0.244 116 G C -0.075 174.709 174.900 -0.193 0.000 1.022 116 G CA 0.071 45.023 45.100 -0.245 0.000 0.741 116 G HN 0.255 nan 8.290 nan 0.000 0.508 117 L N -0.759 120.338 121.223 -0.211 0.000 2.286 117 L HA 0.753 5.094 4.340 0.002 0.000 0.265 117 L C -0.411 176.428 176.870 -0.052 0.000 1.012 117 L CA -1.214 53.530 54.840 -0.159 0.000 0.818 117 L CB 1.709 43.598 42.059 -0.283 0.000 1.337 117 L HN 0.103 nan 8.230 nan 0.000 0.438 118 D N 0.305 120.706 120.400 0.002 0.000 2.344 118 D HA 0.245 4.886 4.640 0.002 0.000 0.239 118 D C 0.400 176.735 176.300 0.059 0.000 1.064 118 D CA -0.288 53.741 54.000 0.048 0.000 0.829 118 D CB 1.705 42.541 40.800 0.060 0.000 1.129 118 D HN 0.487 nan 8.370 nan 0.000 0.506 119 I N 3.196 123.800 120.570 0.057 0.000 2.315 119 I HA -0.162 4.009 4.170 0.002 0.000 0.248 119 I C 1.638 177.802 176.117 0.079 0.000 1.117 119 I CA 1.040 62.380 61.300 0.066 0.000 1.404 119 I CB 0.285 38.315 38.000 0.049 0.000 1.071 119 I HN 0.491 nan 8.210 nan 0.000 0.419 120 E N 0.143 120.381 120.200 0.064 0.000 2.204 120 E HA -0.256 4.095 4.350 0.002 0.000 0.195 120 E C 1.921 178.563 176.600 0.069 0.000 0.990 120 E CA 0.913 57.349 56.400 0.059 0.000 0.821 120 E CB -0.102 29.630 29.700 0.054 0.000 0.750 120 E HN 0.578 nan 8.360 nan 0.000 0.477 121 E N 0.760 121.008 120.200 0.079 0.000 2.047 121 E HA -0.147 4.204 4.350 0.002 0.000 0.191 121 E C 2.252 178.911 176.600 0.099 0.000 0.987 121 E CA 0.641 57.092 56.400 0.085 0.000 0.799 121 E CB 0.077 29.832 29.700 0.092 0.000 0.752 121 E HN 0.232 nan 8.360 nan 0.000 0.449 122 L N 0.430 121.737 121.223 0.140 0.000 2.027 122 L HA -0.166 4.175 4.340 0.002 0.000 0.206 122 L C 2.345 179.304 176.870 0.148 0.000 1.074 122 L CA 1.265 56.229 54.840 0.207 0.000 0.745 122 L CB -0.682 41.559 42.059 0.304 0.000 0.898 122 L HN 0.085 nan 8.230 nan 0.000 0.433 123 E N 0.091 120.371 120.200 0.133 0.000 2.171 123 E HA -0.241 4.111 4.350 0.002 0.000 0.197 123 E C 2.144 178.719 176.600 -0.041 0.000 0.997 123 E CA 1.093 57.535 56.400 0.071 0.000 0.810 123 E CB -0.006 29.730 29.700 0.060 0.000 0.738 123 E HN 0.342 nan 8.360 nan 0.000 0.467 124 E N 0.372 120.562 120.200 -0.016 0.000 2.204 124 E HA -0.146 4.205 4.350 0.002 0.000 0.194 124 E C 1.964 178.513 176.600 -0.084 0.000 0.989 124 E CA 0.479 56.866 56.400 -0.022 0.000 0.824 124 E CB -0.043 29.675 29.700 0.030 0.000 0.756 124 E HN 0.326 nan 8.360 nan 0.000 0.477 125 I N 0.954 121.428 120.570 -0.161 0.000 2.264 125 I HA -0.191 3.980 4.170 0.002 0.000 0.248 125 I C 1.321 177.209 176.117 -0.381 0.000 1.111 125 I CA 0.675 61.818 61.300 -0.262 0.000 1.382 125 I CB -0.827 36.978 38.000 -0.325 0.000 1.060 125 I HN 0.139 nan 8.210 nan 0.000 0.418 126 E N 2.630 122.504 120.200 -0.544 0.000 2.376 126 E HA -0.045 4.306 4.350 0.002 0.000 0.266 126 E C -0.028 176.498 176.600 -0.124 0.000 1.009 126 E CA -0.218 55.896 56.400 -0.476 0.000 0.902 126 E CB 0.662 30.151 29.700 -0.352 0.000 0.972 126 E HN 0.113 nan 8.360 nan 0.000 0.439 127 E N 3.344 123.557 120.200 0.022 0.000 2.392 127 E HA 0.018 4.369 4.350 0.002 0.000 0.264 127 E C -0.710 175.969 176.600 0.131 0.000 1.024 127 E CA -0.014 56.470 56.400 0.140 0.000 0.903 127 E CB 0.540 30.413 29.700 0.287 0.000 0.963 127 E HN 0.475 nan 8.360 nan 0.000 0.432 128 D N 0.718 121.157 120.400 0.065 0.000 2.443 128 D HA 0.116 4.757 4.640 0.002 0.000 0.239 128 D C -0.233 176.046 176.300 -0.035 0.000 1.136 128 D CA 0.209 54.201 54.000 -0.014 0.000 0.879 128 D CB 0.547 41.305 40.800 -0.070 0.000 1.195 128 D HN 0.390 nan 8.370 nan 0.000 0.443 129 A N 2.445 125.183 122.820 -0.135 0.000 2.915 129 A HA 0.425 4.746 4.320 0.002 0.000 0.292 129 A C 1.068 178.468 177.584 -0.308 0.000 1.632 129 A CA -0.347 51.412 52.037 -0.464 0.000 1.337 129 A CB -0.544 18.272 19.000 -0.306 0.000 1.111 129 A HN 0.513 nan 8.150 nan 0.000 0.569 130 G N 1.546 110.174 108.800 -0.286 0.000 3.401 130 G HA2 0.395 4.356 3.960 0.002 0.000 0.251 130 G HA3 0.395 4.356 3.960 0.002 0.000 0.251 130 G C 0.294 175.141 174.900 -0.089 0.000 0.960 130 G CA -0.296 44.810 45.100 0.010 0.000 1.900 130 G HN 0.683 nan 8.290 nan 0.000 0.645 131 L N 1.465 122.655 121.223 -0.054 0.000 2.968 131 L HA 0.417 4.758 4.340 0.002 0.000 0.235 131 L C 1.025 177.904 176.870 0.015 0.000 1.323 131 L CA -0.310 54.544 54.840 0.022 0.000 1.159 131 L CB -0.214 41.939 42.059 0.156 0.000 1.523 131 L HN 0.333 nan 8.230 nan 0.000 0.468 132 G N -1.136 107.493 108.800 -0.286 0.000 2.660 132 G HA2 0.246 4.208 3.960 0.002 0.000 0.290 132 G HA3 0.246 4.208 3.960 0.002 0.000 0.290 132 G C -0.280 174.044 174.900 -0.960 0.000 1.432 132 G CA -0.440 44.291 45.100 -0.615 0.000 0.807 132 G HN -0.006 nan 8.290 nan 0.000 0.485 133 N N -0.862 117.417 118.700 -0.702 0.000 2.463 133 N HA 0.260 5.001 4.740 0.002 0.000 0.183 133 N C 1.013 176.333 175.510 -0.316 0.000 1.064 133 N CA 0.975 53.764 53.050 -0.436 0.000 0.879 133 N CB 1.824 40.229 38.487 -0.136 0.000 1.148 133 N HN 0.842 nan 8.380 nan 0.000 0.451 134 G N -0.336 108.327 108.800 -0.228 0.000 2.586 134 G HA2 0.168 4.130 3.960 0.002 0.000 0.105 134 G HA3 0.168 4.130 3.960 0.002 0.000 0.105 134 G C 0.545 175.512 174.900 0.111 0.000 1.129 134 G CA 0.147 45.309 45.100 0.105 0.000 1.127 134 G HN 0.107 nan 8.290 nan 0.000 0.532 135 G N 0.228 109.058 108.800 0.051 0.000 2.418 135 G HA2 -0.025 3.937 3.960 0.002 0.000 0.217 135 G HA3 -0.025 3.937 3.960 0.002 0.000 0.217 135 G C 1.864 176.713 174.900 -0.085 0.000 1.158 135 G CA 1.440 46.535 45.100 -0.008 0.000 0.771 135 G HN 0.750 nan 8.290 nan 0.000 0.545 136 L N 0.611 121.745 121.223 -0.149 0.000 1.989 136 L HA 0.020 4.361 4.340 0.002 0.000 0.211 136 L C 2.837 179.584 176.870 -0.205 0.000 1.071 136 L CA 1.970 56.625 54.840 -0.309 0.000 0.749 136 L CB -0.599 41.252 42.059 -0.348 0.000 0.890 136 L HN 0.258 nan 8.230 nan 0.000 0.431 137 G N -0.878 107.852 108.800 -0.117 0.000 2.443 137 G HA2 -0.288 3.673 3.960 0.002 0.000 0.219 137 G HA3 -0.288 3.673 3.960 0.002 0.000 0.219 137 G C 1.626 176.545 174.900 0.032 0.000 1.131 137 G CA 0.674 45.729 45.100 -0.075 0.000 0.775 137 G HN 0.304 nan 8.290 nan 0.000 0.547 138 R N -0.327 120.227 120.500 0.090 0.000 2.210 138 R HA 0.239 4.581 4.340 0.002 0.000 0.203 138 R C 2.156 178.431 176.300 -0.042 0.000 1.010 138 R CA 0.317 56.486 56.100 0.115 0.000 1.008 138 R CB -0.682 29.701 30.300 0.139 0.000 0.923 138 R HN 0.282 nan 8.270 nan 0.000 0.469 139 L N 0.303 121.422 121.223 -0.172 0.000 2.046 139 L HA 0.037 4.378 4.340 0.002 0.000 0.208 139 L C 2.025 178.546 176.870 -0.582 0.000 1.077 139 L CA 2.147 56.737 54.840 -0.416 0.000 0.747 139 L CB -0.935 40.851 42.059 -0.455 0.000 0.896 139 L HN 0.249 nan 8.230 nan 0.000 0.432 140 A N -0.564 122.018 122.820 -0.397 0.000 1.883 140 A HA -0.197 4.124 4.320 0.002 0.000 0.217 140 A C 2.456 179.956 177.584 -0.140 0.000 1.186 140 A CA 2.172 53.965 52.037 -0.406 0.000 0.624 140 A CB -1.248 17.422 19.000 -0.550 0.000 0.822 140 A HN 0.569 nan 8.150 nan 0.000 0.444 141 A N -0.893 121.925 122.820 -0.003 0.000 1.858 141 A HA -0.191 4.131 4.320 0.002 0.000 0.216 141 A C 2.363 180.008 177.584 0.102 0.000 1.190 141 A CA 1.748 53.855 52.037 0.116 0.000 0.617 141 A CB -1.426 17.648 19.000 0.122 0.000 0.827 141 A HN 0.628 nan 8.150 nan 0.000 0.443 142 C N -1.509 117.854 119.300 0.106 0.000 2.393 142 C HA -0.136 4.326 4.460 0.002 0.000 0.276 142 C C 2.440 177.582 174.990 0.253 0.000 1.215 142 C CA 0.933 60.063 59.018 0.186 0.000 1.743 142 C CB -1.759 26.111 27.740 0.217 0.000 2.044 142 C HN 0.604 nan 8.230 nan 0.000 0.464 143 F N 1.180 121.095 119.950 -0.057 0.000 2.120 143 F HA -0.146 4.382 4.527 0.002 0.000 0.300 143 F C 2.258 178.010 175.800 -0.080 0.000 1.095 143 F CA 1.185 59.114 58.000 -0.118 0.000 1.249 143 F CB -1.352 37.444 39.000 -0.340 0.000 0.995 143 F HN 0.229 nan 8.300 nan 0.000 0.480 144 L N -0.684 120.624 121.223 0.141 0.000 2.093 144 L HA -0.212 4.129 4.340 0.002 0.000 0.208 144 L C 2.106 179.005 176.870 0.048 0.000 1.085 144 L CA 1.781 56.672 54.840 0.086 0.000 0.755 144 L CB -0.750 41.376 42.059 0.111 0.000 0.904 144 L HN 0.102 nan 8.230 nan 0.000 0.435 145 D N -0.494 119.939 120.400 0.056 0.000 2.117 145 D HA -0.165 4.476 4.640 0.002 0.000 0.198 145 D C 2.267 178.589 176.300 0.038 0.000 0.982 145 D CA 1.298 55.315 54.000 0.027 0.000 0.828 145 D CB 0.255 41.069 40.800 0.023 0.000 0.967 145 D HN 0.040 nan 8.370 nan 0.000 0.464 146 S N -0.750 114.987 115.700 0.061 0.000 2.356 146 S HA -0.137 4.334 4.470 0.002 0.000 0.223 146 S C 1.997 176.612 174.600 0.025 0.000 1.032 146 S CA 1.129 59.353 58.200 0.041 0.000 1.005 146 S CB -0.234 62.989 63.200 0.038 0.000 0.867 146 S HN 0.322 nan 8.310 nan 0.000 0.449 147 M N 1.050 120.662 119.600 0.020 0.000 2.108 147 M HA -0.132 4.350 4.480 0.002 0.000 0.261 147 M C 2.410 178.719 176.300 0.015 0.000 1.066 147 M CA 1.526 56.837 55.300 0.020 0.000 1.107 147 M CB -0.563 32.037 32.600 0.001 0.000 1.356 147 M HN 0.379 nan 8.290 nan 0.000 0.406 148 A N -0.183 122.642 122.820 0.008 0.000 1.933 148 A HA -0.145 4.177 4.320 0.002 0.000 0.218 148 A C 2.215 179.812 177.584 0.021 0.000 1.175 148 A CA 2.207 54.248 52.037 0.006 0.000 0.628 148 A CB -1.077 17.910 19.000 -0.023 0.000 0.814 148 A HN 0.467 nan 8.150 nan 0.000 0.444 149 T N 0.070 114.644 114.554 0.033 0.000 2.812 149 T HA -0.031 4.321 4.350 0.002 0.000 0.264 149 T C 1.327 176.055 174.700 0.047 0.000 1.042 149 T CA 1.101 63.234 62.100 0.055 0.000 1.140 149 T CB -0.201 68.714 68.868 0.078 0.000 0.870 149 T HN 0.199 nan 8.240 nan 0.000 0.445 150 L N 0.895 122.142 121.223 0.039 0.000 2.610 150 L HA 0.301 4.642 4.340 0.002 0.000 0.232 150 L C 1.873 178.768 176.870 0.041 0.000 1.149 150 L CA 0.383 55.245 54.840 0.038 0.000 0.872 150 L CB -1.644 40.438 42.059 0.038 0.000 0.992 150 L HN 0.456 nan 8.230 nan 0.000 0.447 151 G N 0.139 108.965 108.800 0.043 0.000 2.305 151 G HA2 -0.291 3.671 3.960 0.002 0.000 0.287 151 G HA3 -0.291 3.671 3.960 0.002 0.000 0.287 151 G C 0.435 175.377 174.900 0.071 0.000 1.036 151 G CA 0.217 45.353 45.100 0.061 0.000 0.887 151 G HN 0.338 nan 8.290 nan 0.000 0.505 152 L N -0.617 120.627 121.223 0.034 0.000 2.464 152 L HA 0.500 4.841 4.340 0.002 0.000 0.264 152 L C 1.381 178.171 176.870 -0.133 0.000 1.199 152 L CA -0.117 54.707 54.840 -0.027 0.000 0.818 152 L CB 0.832 42.877 42.059 -0.024 0.000 1.102 152 L HN 0.310 nan 8.230 nan 0.000 0.473 153 A N 2.066 124.677 122.820 -0.348 0.000 2.990 153 A HA 0.550 4.871 4.320 0.002 0.000 0.282 153 A C 0.210 177.479 177.584 -0.524 0.000 1.688 153 A CA -0.149 51.396 52.037 -0.821 0.000 1.391 153 A CB -0.752 17.640 19.000 -1.013 0.000 1.112 153 A HN 0.687 nan 8.150 nan 0.000 0.588 154 A N 1.499 124.088 122.820 -0.385 0.000 2.350 154 A HA 0.792 5.113 4.320 0.002 0.000 0.324 154 A C -1.027 176.372 177.584 -0.309 0.000 1.118 154 A CA -0.466 51.400 52.037 -0.285 0.000 0.783 154 A CB 0.826 19.705 19.000 -0.201 0.000 1.236 154 A HN 0.602 nan 8.150 nan 0.000 0.457 155 Y N 0.282 120.549 120.300 -0.055 0.000 2.446 155 Y HA 0.569 5.120 4.550 0.002 0.000 0.345 155 Y C 0.916 176.925 175.900 0.183 0.000 0.984 155 Y CA -0.532 57.619 58.100 0.086 0.000 1.058 155 Y CB 2.465 41.071 38.460 0.245 0.000 1.220 155 Y HN 0.820 nan 8.280 nan 0.000 0.455 156 G N 1.688 110.602 108.800 0.191 0.000 2.332 156 G HA2 0.494 4.455 3.960 0.002 0.000 0.310 156 G HA3 0.494 4.455 3.960 0.002 0.000 0.310 156 G C -1.907 172.986 174.900 -0.012 0.000 1.123 156 G CA -0.333 44.890 45.100 0.205 0.000 0.873 156 G HN 0.562 nan 8.290 nan 0.000 0.460 157 Y N 0.897 121.388 120.300 0.318 0.000 2.346 157 Y HA 0.607 5.158 4.550 0.002 0.000 0.332 157 Y C 0.685 176.832 175.900 0.411 0.000 0.985 157 Y CA 0.068 58.337 58.100 0.281 0.000 1.112 157 Y CB 2.693 41.357 38.460 0.341 0.000 1.170 157 Y HN 0.933 nan 8.280 nan 0.000 0.447 158 G N 2.351 111.438 108.800 0.478 0.000 2.664 158 G HA2 0.497 4.459 3.960 0.002 0.000 0.303 158 G HA3 0.497 4.459 3.960 0.002 0.000 0.303 158 G C -1.822 173.314 174.900 0.394 0.000 1.243 158 G CA -0.869 44.546 45.100 0.525 0.000 0.826 158 G HN 0.422 nan 8.290 nan 0.000 0.498 159 I N 0.896 121.602 120.570 0.227 0.000 2.359 159 I HA 0.371 4.542 4.170 0.002 0.000 0.294 159 I C 0.728 176.761 176.117 -0.139 0.000 0.987 159 I CA -0.587 60.708 61.300 -0.008 0.000 1.225 159 I CB 1.842 39.574 38.000 -0.447 0.000 1.366 159 I HN 0.378 nan 8.210 nan 0.000 0.466 160 R N 6.579 127.104 120.500 0.042 0.000 3.247 160 R HA 0.121 4.462 4.340 0.002 0.000 0.212 160 R C -1.006 175.354 176.300 0.099 0.000 1.604 160 R CA -0.397 55.761 56.100 0.097 0.000 1.279 160 R CB -0.320 30.025 30.300 0.074 0.000 1.277 160 R HN 0.375 nan 8.270 nan 0.000 0.669 161 Y N 1.177 121.643 120.300 0.278 0.000 2.717 161 Y HA -0.141 4.411 4.550 0.002 0.000 0.330 161 Y C 1.559 177.653 175.900 0.324 0.000 1.217 161 Y CA 0.364 58.619 58.100 0.259 0.000 1.506 161 Y CB 0.488 39.080 38.460 0.219 0.000 1.268 161 Y HN 0.525 nan 8.280 nan 0.000 0.561 162 E N 2.040 122.427 120.200 0.311 0.000 2.153 162 E HA -0.173 4.178 4.350 0.002 0.000 0.194 162 E C -0.752 175.771 176.600 -0.129 0.000 0.988 162 E CA 1.012 57.405 56.400 -0.011 0.000 0.811 162 E CB 0.122 29.689 29.700 -0.221 0.000 0.746 162 E HN 0.614 nan 8.360 nan 0.000 0.466 163 Y N -0.670 119.865 120.300 0.391 0.000 2.326 163 Y HA 0.408 4.959 4.550 0.002 0.000 0.329 163 Y C 0.675 176.683 175.900 0.180 0.000 0.973 163 Y CA -0.818 57.465 58.100 0.305 0.000 1.162 163 Y CB 1.810 40.373 38.460 0.172 0.000 1.147 163 Y HN -0.109 nan 8.280 nan 0.000 0.456 164 G N 1.877 110.786 108.800 0.181 0.000 2.489 164 G HA2 0.227 4.188 3.960 0.002 0.000 0.271 164 G HA3 0.227 4.188 3.960 0.002 0.000 0.271 164 G C -0.376 174.499 174.900 -0.041 0.000 1.427 164 G CA -0.687 44.378 45.100 -0.058 0.000 1.057 164 G HN 0.667 nan 8.290 nan 0.000 0.532 165 I N 0.765 121.253 120.570 -0.136 0.000 2.752 165 I HA 0.175 4.346 4.170 0.002 0.000 0.289 165 I C 0.669 176.691 176.117 -0.157 0.000 1.197 165 I CA -0.682 60.501 61.300 -0.195 0.000 1.432 165 I CB -0.217 37.598 38.000 -0.308 0.000 1.359 165 I HN 0.352 nan 8.210 nan 0.000 0.571 166 F N 5.171 125.142 119.950 0.034 0.000 2.589 166 F HA 0.176 4.704 4.527 0.002 0.000 0.352 166 F C 0.424 176.276 175.800 0.086 0.000 1.168 166 F CA -0.582 57.454 58.000 0.061 0.000 1.353 166 F CB -0.434 38.583 39.000 0.029 0.000 1.116 166 F HN 0.518 nan 8.300 nan 0.000 0.608 167 N N 1.694 120.575 118.700 0.300 0.000 2.497 167 N HA 0.049 4.791 4.740 0.002 0.000 0.268 167 N C -0.905 174.872 175.510 0.446 0.000 1.171 167 N CA -0.445 52.764 53.050 0.264 0.000 0.948 167 N CB 0.535 39.145 38.487 0.205 0.000 1.069 167 N HN 0.678 nan 8.380 nan 0.000 0.460 168 Q N 2.923 122.939 119.800 0.360 0.000 2.368 168 Q HA 0.168 4.509 4.340 0.002 0.000 0.256 168 Q C -1.052 175.109 176.000 0.269 0.000 0.980 168 Q CA -0.757 55.290 55.803 0.406 0.000 0.887 168 Q CB 0.517 29.520 28.738 0.442 0.000 1.221 168 Q HN 0.300 nan 8.270 nan 0.000 0.458 169 K N 3.372 123.898 120.400 0.210 0.000 2.098 169 K HA 0.471 4.792 4.320 0.002 0.000 0.258 169 K C -0.257 176.437 176.600 0.157 0.000 0.973 169 K CA -0.708 55.673 56.287 0.157 0.000 0.898 169 K CB 1.188 33.754 32.500 0.109 0.000 1.057 169 K HN 0.630 nan 8.250 nan 0.000 0.447 170 I N 2.770 123.424 120.570 0.140 0.000 2.362 170 I HA 0.309 4.480 4.170 0.002 0.000 0.289 170 I C 0.054 176.224 176.117 0.088 0.000 0.994 170 I CA -0.480 60.886 61.300 0.110 0.000 1.158 170 I CB 1.053 39.118 38.000 0.109 0.000 1.315 170 I HN 0.297 nan 8.210 nan 0.000 0.451 171 R N 5.529 126.092 120.500 0.105 0.000 2.435 171 R HA 0.254 4.595 4.340 0.002 0.000 0.308 171 R C -0.852 175.545 176.300 0.163 0.000 0.975 171 R CA -0.644 55.518 56.100 0.103 0.000 0.867 171 R CB 1.494 31.844 30.300 0.083 0.000 1.171 171 R HN 0.567 nan 8.270 nan 0.000 0.470 172 D N 2.236 122.702 120.400 0.110 0.000 2.716 172 D HA -0.160 4.481 4.640 0.002 0.000 0.239 172 D C 0.772 177.058 176.300 -0.023 0.000 1.125 172 D CA 1.541 55.606 54.000 0.108 0.000 0.681 172 D CB -0.536 40.401 40.800 0.228 0.000 1.070 172 D HN 1.124 nan 8.370 nan 0.000 0.432 173 G N -0.874 107.867 108.800 -0.099 0.000 2.180 173 G HA2 -0.314 3.647 3.960 0.002 0.000 0.263 173 G HA3 -0.314 3.647 3.960 0.002 0.000 0.263 173 G C 0.005 174.647 174.900 -0.429 0.000 0.989 173 G CA 0.791 45.725 45.100 -0.278 0.000 0.692 173 G HN 0.429 nan 8.290 nan 0.000 0.526 174 W N 0.188 121.429 121.300 -0.098 0.000 2.529 174 W HA 0.603 5.265 4.660 0.002 0.000 0.321 174 W C 0.598 177.059 176.519 -0.097 0.000 1.047 174 W CA -1.115 56.164 57.345 -0.109 0.000 1.216 174 W CB 0.977 30.389 29.460 -0.079 0.000 1.357 174 W HN 0.241 nan 8.180 nan 0.000 0.489 175 Q N 2.103 121.981 119.800 0.130 0.000 2.283 175 Q HA 0.169 4.510 4.340 0.002 0.000 0.301 175 Q C -1.004 175.048 176.000 0.086 0.000 1.063 175 Q CA 0.591 56.457 55.803 0.105 0.000 0.952 175 Q CB 0.672 29.469 28.738 0.098 0.000 1.166 175 Q HN 0.454 nan 8.270 nan 0.000 0.381 176 V N 4.254 124.211 119.914 0.072 0.000 2.638 176 V HA 0.227 4.348 4.120 0.002 0.000 0.306 176 V C -1.119 174.961 176.094 -0.023 0.000 1.052 176 V CA -0.814 61.491 62.300 0.009 0.000 0.885 176 V CB 2.135 33.979 31.823 0.036 0.000 0.999 176 V HN 0.828 nan 8.190 nan 0.000 0.424 177 E N 3.213 123.318 120.200 -0.158 0.000 2.259 177 E HA 0.530 4.881 4.350 0.002 0.000 0.281 177 E C -0.598 175.978 176.600 -0.040 0.000 1.027 177 E CA -0.189 56.072 56.400 -0.232 0.000 0.838 177 E CB 1.059 30.410 29.700 -0.582 0.000 1.066 177 E HN 0.602 nan 8.360 nan 0.000 0.401 178 E N 1.158 121.419 120.200 0.102 0.000 2.234 178 E HA 0.508 4.859 4.350 0.002 0.000 0.266 178 E C -0.961 175.729 176.600 0.151 0.000 0.877 178 E CA -1.182 55.277 56.400 0.098 0.000 0.758 178 E CB 1.941 31.708 29.700 0.112 0.000 1.170 178 E HN 0.590 nan 8.360 nan 0.000 0.415 179 A N 2.587 125.456 122.820 0.080 0.000 2.567 179 A HA -0.062 4.259 4.320 0.002 0.000 0.240 179 A C 0.126 177.862 177.584 0.254 0.000 1.053 179 A CA 0.227 52.320 52.037 0.094 0.000 0.755 179 A CB -0.110 18.829 19.000 -0.101 0.000 0.978 179 A HN 0.636 nan 8.150 nan 0.000 0.507 180 D N 1.862 122.474 120.400 0.353 0.000 2.470 180 D HA 0.149 4.790 4.640 0.002 0.000 0.226 180 D C -0.047 176.539 176.300 0.476 0.000 1.196 180 D CA -0.138 54.072 54.000 0.349 0.000 0.979 180 D CB 0.366 41.323 40.800 0.262 0.000 1.059 180 D HN 0.393 nan 8.370 nan 0.000 0.515 181 D N 3.894 124.512 120.400 0.364 0.000 2.856 181 D HA -0.048 4.593 4.640 0.002 0.000 0.242 181 D C 1.272 177.626 176.300 0.090 0.000 1.226 181 D CA -0.422 53.725 54.000 0.245 0.000 0.855 181 D CB -0.324 40.583 40.800 0.178 0.000 1.065 181 D HN 0.597 nan 8.370 nan 0.000 0.462 182 W N 0.181 121.470 121.300 -0.019 0.000 2.359 182 W HA -0.156 4.505 4.660 0.002 0.000 0.275 182 W C 0.119 176.621 176.519 -0.029 0.000 1.217 182 W CA 0.417 57.761 57.345 -0.003 0.000 1.196 182 W CB -0.880 28.601 29.460 0.035 0.000 1.129 182 W HN 0.151 nan 8.180 nan 0.000 0.566 183 L N 0.737 121.539 121.223 -0.701 0.000 2.667 183 L HA 0.211 4.552 4.340 0.002 0.000 0.232 183 L C 2.696 179.323 176.870 -0.405 0.000 1.138 183 L CA -0.160 54.250 54.840 -0.716 0.000 0.921 183 L CB -0.607 40.901 42.059 -0.918 0.000 1.180 183 L HN -0.119 nan 8.230 nan 0.000 0.487 184 R N 0.831 121.084 120.500 -0.413 0.000 2.133 184 R HA -0.236 4.105 4.340 0.002 0.000 0.245 184 R C 1.546 177.593 176.300 -0.422 0.000 1.137 184 R CA 2.305 58.100 56.100 -0.508 0.000 0.947 184 R CB -0.254 29.515 30.300 -0.884 0.000 0.865 184 R HN 0.364 nan 8.270 nan 0.000 0.437 185 Y N -0.709 119.624 120.300 0.055 0.000 2.466 185 Y HA 0.299 4.850 4.550 0.002 0.000 0.272 185 Y C 0.989 177.003 175.900 0.190 0.000 1.169 185 Y CA -0.050 58.137 58.100 0.145 0.000 1.285 185 Y CB 0.818 39.434 38.460 0.259 0.000 1.078 185 Y HN 0.445 nan 8.280 nan 0.000 0.523 186 G N 1.260 110.161 108.800 0.168 0.000 2.555 186 G HA2 -0.163 3.798 3.960 0.002 0.000 0.686 186 G HA3 -0.163 3.798 3.960 0.002 0.000 0.686 186 G C -1.655 173.364 174.900 0.197 0.000 1.275 186 G CA -0.838 44.343 45.100 0.134 0.000 0.871 186 G HN 0.242 nan 8.290 nan 0.000 0.603 187 N N 0.582 119.350 118.700 0.113 0.000 2.519 187 N HA 0.624 5.365 4.740 0.002 0.000 0.286 187 N C -1.482 174.083 175.510 0.092 0.000 1.079 187 N CA -1.789 51.339 53.050 0.129 0.000 0.878 187 N CB 2.445 40.918 38.487 -0.023 0.000 1.375 187 N HN 0.283 nan 8.380 nan 0.000 0.514 188 P HA 0.179 nan 4.420 nan 0.000 0.253 188 P C -0.206 176.738 177.300 -0.593 0.000 1.260 188 P CA 0.223 63.078 63.100 -0.407 0.000 0.800 188 P CB -0.247 30.983 31.700 -0.782 0.000 1.162 189 W N 1.716 123.056 121.300 0.067 0.000 3.102 189 W HA 0.226 4.887 4.660 0.002 0.000 0.401 189 W C 0.301 176.893 176.519 0.121 0.000 1.070 189 W CA -0.491 56.893 57.345 0.064 0.000 1.921 189 W CB 0.361 29.858 29.460 0.063 0.000 1.118 189 W HN 0.044 nan 8.180 nan 0.000 0.647 190 E N 0.448 120.815 120.200 0.279 0.000 2.314 190 E HA 0.589 4.940 4.350 0.002 0.000 0.272 190 E C -1.166 175.610 176.600 0.293 0.000 0.884 190 E CA -1.341 55.253 56.400 0.323 0.000 0.753 190 E CB 2.078 31.968 29.700 0.317 0.000 1.213 190 E HN -0.224 nan 8.360 nan 0.000 0.432 191 K N 1.726 122.299 120.400 0.289 0.000 2.502 191 K HA 0.266 4.587 4.320 0.002 0.000 0.254 191 K C -0.679 175.915 176.600 -0.010 0.000 0.947 191 K CA -0.533 55.840 56.287 0.142 0.000 0.834 191 K CB 1.733 34.286 32.500 0.089 0.000 1.112 191 K HN 0.697 nan 8.250 nan 0.000 0.427 192 S N 3.566 119.148 115.700 -0.196 0.000 2.587 192 S HA 0.365 4.836 4.470 0.002 0.000 0.260 192 S C -0.180 174.216 174.600 -0.340 0.000 1.353 192 S CA -0.364 57.451 58.200 -0.640 0.000 0.995 192 S CB 0.551 63.286 63.200 -0.776 0.000 0.912 192 S HN 0.585 nan 8.310 nan 0.000 0.568 193 R N 1.291 121.593 120.500 -0.331 0.000 2.687 193 R HA 0.301 4.643 4.340 0.002 0.000 0.264 193 R C -2.546 173.639 176.300 -0.191 0.000 1.715 193 R CA -1.874 54.102 56.100 -0.206 0.000 1.633 193 R CB 0.273 30.541 30.300 -0.052 0.000 1.353 193 R HN 0.484 nan 8.270 nan 0.000 0.653 194 P HA -0.220 nan 4.420 nan 0.000 0.217 194 P C 1.196 178.408 177.300 -0.147 0.000 1.148 194 P CA 1.221 64.240 63.100 -0.136 0.000 0.828 194 P CB 0.380 32.005 31.700 -0.125 0.000 0.783 195 E N -0.937 119.082 120.200 -0.302 0.000 2.347 195 E HA -0.131 4.221 4.350 0.002 0.000 0.196 195 E C 0.626 177.040 176.600 -0.310 0.000 1.008 195 E CA 1.044 57.208 56.400 -0.392 0.000 0.852 195 E CB -0.735 28.602 29.700 -0.606 0.000 0.783 195 E HN 0.252 nan 8.360 nan 0.000 0.505 196 F N 1.030 120.996 119.950 0.027 0.000 2.639 196 F HA 0.371 4.900 4.527 0.002 0.000 0.300 196 F C 1.026 176.951 175.800 0.208 0.000 1.109 196 F CA -0.605 57.455 58.000 0.100 0.000 1.335 196 F CB -0.239 38.812 39.000 0.086 0.000 1.014 196 F HN -0.134 nan 8.300 nan 0.000 0.537 197 M N 1.376 121.148 119.600 0.287 0.000 2.250 197 M HA 0.135 4.616 4.480 0.002 0.000 0.337 197 M C -0.452 175.971 176.300 0.204 0.000 1.161 197 M CA 0.968 56.428 55.300 0.267 0.000 1.088 197 M CB 0.506 33.200 32.600 0.158 0.000 1.639 197 M HN 0.017 nan 8.290 nan 0.000 0.447 198 L N 4.014 125.314 121.223 0.129 0.000 2.409 198 L HA 0.550 4.891 4.340 0.002 0.000 0.262 198 L C -2.441 174.404 176.870 -0.041 0.000 0.992 198 L CA -2.180 52.660 54.840 0.000 0.000 0.817 198 L CB 2.229 44.187 42.059 -0.170 0.000 1.350 198 L HN 0.421 nan 8.230 nan 0.000 0.411 199 P HA 0.265 nan 4.420 nan 0.000 0.278 199 P C -1.093 176.092 177.300 -0.192 0.000 1.238 199 P CA -0.328 62.702 63.100 -0.116 0.000 0.794 199 P CB 1.295 32.938 31.700 -0.095 0.000 0.955 200 V N 3.469 123.246 119.914 -0.229 0.000 2.656 200 V HA 0.333 4.454 4.120 0.002 0.000 0.307 200 V C -0.101 175.776 176.094 -0.361 0.000 1.051 200 V CA -0.607 61.543 62.300 -0.250 0.000 0.893 200 V CB 1.566 33.256 31.823 -0.221 0.000 0.999 200 V HN 0.599 nan 8.190 nan 0.000 0.426 201 H N 3.610 122.507 119.070 -0.288 0.000 2.499 201 H HA 0.650 5.207 4.556 0.002 0.000 0.340 201 H C -1.420 173.535 175.328 -0.621 0.000 1.148 201 H CA -0.208 55.572 56.048 -0.446 0.000 1.215 201 H CB 2.004 31.253 29.762 -0.855 0.000 1.529 201 H HN 0.474 nan 8.280 nan 0.000 0.510 202 F N 0.171 120.100 119.950 -0.035 0.000 2.613 202 F HA 0.235 4.763 4.527 0.002 0.000 0.310 202 F C -0.226 175.601 175.800 0.045 0.000 1.085 202 F CA -0.548 57.434 58.000 -0.031 0.000 0.945 202 F CB 1.161 40.049 39.000 -0.187 0.000 1.298 202 F HN 0.648 nan 8.300 nan 0.000 0.455 203 Y N 0.186 120.743 120.300 0.429 0.000 2.910 203 Y HA -0.042 4.509 4.550 0.002 0.000 0.465 203 Y C 1.434 177.558 175.900 0.373 0.000 1.207 203 Y CA 0.784 59.069 58.100 0.307 0.000 2.473 203 Y CB -1.725 36.839 38.460 0.173 0.000 1.242 203 Y HN 1.276 nan 8.280 nan 0.000 0.634 204 G N 0.729 109.790 108.800 0.435 0.000 2.601 204 G HA2 -0.025 3.936 3.960 0.002 0.000 0.252 204 G HA3 -0.025 3.936 3.960 0.002 0.000 0.252 204 G C -0.742 174.376 174.900 0.364 0.000 1.294 204 G CA 0.654 45.946 45.100 0.320 0.000 0.912 204 G HN 1.226 nan 8.290 nan 0.000 0.574 205 K N -2.503 118.103 120.400 0.343 0.000 2.499 205 K HA 0.764 5.085 4.320 0.002 0.000 0.277 205 K C -1.233 175.504 176.600 0.227 0.000 1.025 205 K CA -1.107 55.325 56.287 0.242 0.000 0.900 205 K CB 2.033 34.619 32.500 0.144 0.000 1.494 205 K HN 0.816 nan 8.250 nan 0.000 0.442 206 V N 1.155 121.099 119.914 0.050 0.000 2.398 206 V HA 0.317 4.439 4.120 0.002 0.000 0.286 206 V C -0.645 175.327 176.094 -0.204 0.000 1.026 206 V CA -0.643 61.589 62.300 -0.115 0.000 0.868 206 V CB 1.162 32.831 31.823 -0.257 0.000 0.982 206 V HN 0.716 nan 8.190 nan 0.000 0.443 207 E N 3.131 123.204 120.200 -0.211 0.000 2.166 207 E HA 0.422 4.773 4.350 0.002 0.000 0.275 207 E C -0.852 175.558 176.600 -0.317 0.000 0.941 207 E CA -0.670 55.623 56.400 -0.180 0.000 0.784 207 E CB 1.166 30.840 29.700 -0.043 0.000 1.115 207 E HN 0.698 nan 8.360 nan 0.000 0.399 208 H N 2.554 121.634 119.070 0.016 0.000 2.556 208 H HA 0.096 4.653 4.556 0.002 0.000 0.240 208 H C 0.523 175.857 175.328 0.010 0.000 1.543 208 H CA -0.291 55.761 56.048 0.007 0.000 1.287 208 H CB -0.084 29.674 29.762 -0.006 0.000 1.529 208 H HN 0.511 nan 8.280 nan 0.000 0.553 209 T N -0.422 114.174 114.554 0.069 0.000 2.698 209 T HA -0.069 4.282 4.350 0.002 0.000 0.295 209 T C 1.357 176.090 174.700 0.054 0.000 1.007 209 T CA -0.717 61.414 62.100 0.052 0.000 0.980 209 T CB 0.740 69.627 68.868 0.031 0.000 1.036 209 T HN 0.539 nan 8.240 nan 0.000 0.526 210 N N -0.815 117.909 118.700 0.040 0.000 2.346 210 N HA 0.104 4.846 4.740 0.002 0.000 0.225 210 N C 0.361 175.890 175.510 0.032 0.000 1.144 210 N CA -0.397 52.673 53.050 0.034 0.000 0.837 210 N CB -0.162 38.342 38.487 0.027 0.000 1.069 210 N HN 0.630 nan 8.380 nan 0.000 0.487 211 T N -1.414 113.160 114.554 0.034 0.000 3.170 211 T HA 0.497 4.848 4.350 0.002 0.000 0.288 211 T C 0.344 175.066 174.700 0.036 0.000 0.992 211 T CA 0.088 62.207 62.100 0.032 0.000 0.909 211 T CB 0.490 69.375 68.868 0.028 0.000 1.133 211 T HN 0.592 nan 8.240 nan 0.000 0.530 212 G N 1.224 110.050 108.800 0.043 0.000 2.515 212 G HA2 0.110 4.071 3.960 0.002 0.000 0.686 212 G HA3 0.110 4.071 3.960 0.002 0.000 0.686 212 G C -0.379 174.548 174.900 0.045 0.000 1.274 212 G CA -0.520 44.609 45.100 0.048 0.000 0.874 212 G HN 0.327 nan 8.290 nan 0.000 0.631 213 T N -0.291 114.292 114.554 0.049 0.000 2.889 213 T HA 0.659 5.010 4.350 0.002 0.000 0.291 213 T C 0.019 174.706 174.700 -0.021 0.000 0.995 213 T CA 0.091 62.197 62.100 0.011 0.000 1.092 213 T CB 0.517 69.432 68.868 0.077 0.000 0.954 213 T HN 0.633 nan 8.240 nan 0.000 0.506 214 K N 3.320 123.688 120.400 -0.054 0.000 2.443 214 K HA 0.322 4.643 4.320 0.002 0.000 0.252 214 K C -1.555 175.089 176.600 0.074 0.000 0.933 214 K CA -0.855 55.438 56.287 0.010 0.000 0.792 214 K CB 1.619 34.125 32.500 0.011 0.000 1.185 214 K HN 0.598 nan 8.250 nan 0.000 0.425 215 W N 6.231 127.458 121.300 -0.121 0.000 2.335 215 W HA 0.473 5.135 4.660 0.002 0.000 0.307 215 W C -1.016 175.457 176.519 -0.077 0.000 1.117 215 W CA -1.268 56.010 57.345 -0.110 0.000 1.228 215 W CB 0.010 29.390 29.460 -0.134 0.000 1.240 215 W HN 0.566 nan 8.180 nan 0.000 0.468 216 I N 2.393 123.062 120.570 0.165 0.000 2.969 216 I HA 0.516 4.687 4.170 0.002 0.000 0.307 216 I C -0.297 175.850 176.117 0.051 0.000 1.149 216 I CA -0.991 60.328 61.300 0.031 0.000 1.008 216 I CB 2.338 40.370 38.000 0.054 0.000 1.232 216 I HN 0.255 nan 8.210 nan 0.000 0.435 217 D N 1.411 121.842 120.400 0.053 0.000 2.775 217 D HA -0.132 4.509 4.640 0.002 0.000 0.235 217 D C 0.001 176.380 176.300 0.131 0.000 1.120 217 D CA 1.449 55.519 54.000 0.116 0.000 0.708 217 D CB -1.153 39.722 40.800 0.125 0.000 1.084 217 D HN 1.024 nan 8.370 nan 0.000 0.434 218 T N -2.563 112.032 114.554 0.067 0.000 2.927 218 T HA 0.538 4.889 4.350 0.002 0.000 0.281 218 T C 0.380 175.194 174.700 0.190 0.000 0.998 218 T CA -0.921 61.211 62.100 0.054 0.000 1.019 218 T CB 2.284 71.006 68.868 -0.245 0.000 1.061 218 T HN -0.144 nan 8.240 nan 0.000 0.518 219 Q N 0.764 120.674 119.800 0.183 0.000 2.243 219 Q HA 0.560 4.901 4.340 0.002 0.000 0.252 219 Q C -0.760 175.338 176.000 0.162 0.000 0.909 219 Q CA -0.588 55.302 55.803 0.145 0.000 0.922 219 Q CB 1.847 30.666 28.738 0.134 0.000 1.215 219 Q HN 0.574 nan 8.270 nan 0.000 0.427 220 V N 2.650 122.641 119.914 0.128 0.000 2.459 220 V HA 0.478 4.599 4.120 0.002 0.000 0.295 220 V C -0.238 175.927 176.094 0.118 0.000 1.029 220 V CA -0.677 61.631 62.300 0.012 0.000 0.874 220 V CB 2.121 33.900 31.823 -0.073 0.000 0.985 220 V HN 0.500 nan 8.190 nan 0.000 0.438 221 V N 5.958 125.982 119.914 0.182 0.000 2.628 221 V HA 0.524 4.645 4.120 0.002 0.000 0.306 221 V C -0.189 176.029 176.094 0.206 0.000 1.045 221 V CA -0.709 61.733 62.300 0.238 0.000 0.905 221 V CB 1.940 34.000 31.823 0.395 0.000 0.997 221 V HN 0.620 nan 8.190 nan 0.000 0.436 222 L N 3.081 124.428 121.223 0.208 0.000 2.357 222 L HA 0.769 5.110 4.340 0.002 0.000 0.273 222 L C 0.361 177.428 176.870 0.327 0.000 1.080 222 L CA -0.424 54.530 54.840 0.191 0.000 0.803 222 L CB 1.482 43.632 42.059 0.151 0.000 1.174 222 L HN 0.761 nan 8.230 nan 0.000 0.443 223 A N 3.725 126.679 122.820 0.223 0.000 2.328 223 A HA 0.536 4.858 4.320 0.002 0.000 0.318 223 A C -0.900 177.004 177.584 0.534 0.000 1.347 223 A CA -0.438 51.783 52.037 0.307 0.000 0.842 223 A CB 0.630 19.413 19.000 -0.362 0.000 1.148 223 A HN 0.507 nan 8.150 nan 0.000 0.499 224 L N 5.708 127.247 121.223 0.526 0.000 2.260 224 L HA 0.555 4.897 4.340 0.002 0.000 0.289 224 L C -2.355 174.710 176.870 0.325 0.000 1.057 224 L CA -1.870 53.199 54.840 0.381 0.000 0.811 224 L CB 0.906 43.115 42.059 0.250 0.000 1.184 224 L HN 0.355 nan 8.230 nan 0.000 0.429 225 P HA 0.233 nan 4.420 nan 0.000 0.284 225 P C -1.776 175.346 177.300 -0.297 0.000 1.253 225 P CA -0.092 62.745 63.100 -0.438 0.000 0.800 225 P CB 0.546 31.626 31.700 -1.033 0.000 0.961 226 Y N 0.373 120.562 120.300 -0.186 0.000 2.350 226 Y HA 0.320 4.872 4.550 0.002 0.000 0.338 226 Y C 0.373 176.248 175.900 -0.042 0.000 0.961 226 Y CA -0.675 57.393 58.100 -0.054 0.000 1.100 226 Y CB 1.506 39.982 38.460 0.026 0.000 1.179 226 Y HN 0.202 nan 8.280 nan 0.000 0.454 227 D N 2.037 122.537 120.400 0.166 0.000 2.198 227 D HA 0.333 4.975 4.640 0.002 0.000 0.245 227 D C -0.611 175.955 176.300 0.444 0.000 1.079 227 D CA -0.106 54.048 54.000 0.258 0.000 0.854 227 D CB 1.742 42.679 40.800 0.229 0.000 1.148 227 D HN 0.403 nan 8.370 nan 0.000 0.456 228 T N 3.279 118.027 114.554 0.324 0.000 2.841 228 T HA 0.451 4.802 4.350 0.002 0.000 0.283 228 T C -2.539 172.058 174.700 -0.171 0.000 1.000 228 T CA -1.541 60.660 62.100 0.169 0.000 0.977 228 T CB 2.006 70.939 68.868 0.109 0.000 0.979 228 T HN 0.156 nan 8.240 nan 0.000 0.446 229 P HA 0.212 nan 4.420 nan 0.000 0.276 229 P C -0.759 176.215 177.300 -0.544 0.000 1.243 229 P CA -0.293 62.096 63.100 -1.185 0.000 0.768 229 P CB 0.548 31.542 31.700 -1.176 0.000 0.856 230 V N 6.501 126.146 119.914 -0.448 0.000 2.259 230 V HA 0.217 4.338 4.120 0.002 0.000 0.267 230 V C -1.842 174.113 176.094 -0.232 0.000 1.051 230 V CA -1.909 60.239 62.300 -0.253 0.000 0.830 230 V CB 0.724 32.459 31.823 -0.146 0.000 1.080 230 V HN 0.524 nan 8.190 nan 0.000 0.467 231 P HA 0.245 nan 4.420 nan 0.000 0.280 231 P C 0.407 177.653 177.300 -0.090 0.000 1.244 231 P CA 0.286 63.291 63.100 -0.158 0.000 0.784 231 P CB 1.355 32.968 31.700 -0.145 0.000 0.913 232 G N 2.033 110.796 108.800 -0.062 0.000 2.539 232 G HA2 0.158 4.119 3.960 0.002 0.000 0.258 232 G HA3 0.158 4.119 3.960 0.002 0.000 0.258 232 G C -1.175 173.727 174.900 0.003 0.000 1.202 232 G CA -0.420 44.672 45.100 -0.012 0.000 0.851 232 G HN 0.484 nan 8.290 nan 0.000 0.556 233 Y N 2.518 122.781 120.300 -0.062 0.000 2.584 233 Y HA 0.224 4.775 4.550 0.002 0.000 0.351 233 Y C 1.075 176.939 175.900 -0.059 0.000 1.030 233 Y CA -0.707 57.353 58.100 -0.068 0.000 1.332 233 Y CB 0.111 38.526 38.460 -0.074 0.000 1.148 233 Y HN 0.487 nan 8.280 nan 0.000 0.528 234 M N 4.547 123.777 119.600 -0.616 0.000 2.212 234 M HA -0.337 4.144 4.480 0.002 0.000 0.193 234 M C -1.076 175.087 176.300 -0.229 0.000 0.493 234 M CA 1.018 56.016 55.300 -0.503 0.000 0.427 234 M CB -2.500 29.640 32.600 -0.767 0.000 1.120 234 M HN 0.841 nan 8.290 nan 0.000 0.929 235 N N -0.150 118.466 118.700 -0.141 0.000 3.512 235 N HA 0.448 5.190 4.740 0.002 0.000 0.360 235 N C 0.201 175.670 175.510 -0.069 0.000 1.593 235 N CA -0.631 52.372 53.050 -0.079 0.000 0.672 235 N CB 0.266 38.728 38.487 -0.041 0.000 2.105 235 N HN 0.092 nan 8.380 nan 0.000 0.645 236 N N -1.491 117.177 118.700 -0.054 0.000 2.177 236 N HA 0.164 4.906 4.740 0.002 0.000 0.218 236 N C -0.790 174.691 175.510 -0.048 0.000 1.182 236 N CA 0.104 53.124 53.050 -0.051 0.000 0.882 236 N CB 0.487 38.941 38.487 -0.054 0.000 1.052 236 N HN 0.511 nan 8.380 nan 0.000 0.519 237 T N 1.072 115.600 114.554 -0.042 0.000 2.780 237 T HA 0.403 4.755 4.350 0.002 0.000 0.294 237 T C 0.195 174.865 174.700 -0.050 0.000 0.949 237 T CA -0.195 61.886 62.100 -0.033 0.000 1.074 237 T CB 1.959 70.829 68.868 0.004 0.000 0.910 237 T HN -0.250 nan 8.240 nan 0.000 0.501 238 V N 4.672 124.555 119.914 -0.052 0.000 2.419 238 V HA 0.320 4.441 4.120 0.002 0.000 0.287 238 V C 0.188 176.232 176.094 -0.083 0.000 1.017 238 V CA -1.081 61.134 62.300 -0.140 0.000 0.844 238 V CB 1.049 32.738 31.823 -0.223 0.000 1.011 238 V HN 0.838 nan 8.190 nan 0.000 0.429 239 N N 1.918 120.558 118.700 -0.100 0.000 2.431 239 N HA 0.587 5.328 4.740 0.002 0.000 0.289 239 N C -0.354 175.136 175.510 -0.033 0.000 1.277 239 N CA -0.559 52.469 53.050 -0.037 0.000 0.972 239 N CB 0.841 39.282 38.487 -0.076 0.000 1.143 239 N HN 0.584 nan 8.380 nan 0.000 0.578 240 T N 0.885 115.437 114.554 -0.004 0.000 2.861 240 T HA 0.347 4.698 4.350 0.002 0.000 0.287 240 T C -0.784 173.926 174.700 0.016 0.000 1.003 240 T CA -0.495 61.693 62.100 0.147 0.000 0.977 240 T CB 1.240 70.327 68.868 0.366 0.000 0.996 240 T HN 0.309 nan 8.240 nan 0.000 0.448 241 M N 3.517 123.108 119.600 -0.016 0.000 2.114 241 M HA 0.503 4.984 4.480 0.002 0.000 0.332 241 M C -0.607 175.603 176.300 -0.150 0.000 1.014 241 M CA -0.755 54.456 55.300 -0.148 0.000 0.956 241 M CB 0.887 33.358 32.600 -0.214 0.000 1.551 241 M HN 0.515 nan 8.290 nan 0.000 0.427 242 R N 6.323 126.626 120.500 -0.329 0.000 2.288 242 R HA 0.583 4.924 4.340 0.002 0.000 0.326 242 R C -1.959 174.112 176.300 -0.381 0.000 0.959 242 R CA -0.450 55.413 56.100 -0.394 0.000 0.834 242 R CB 0.850 30.790 30.300 -0.600 0.000 1.157 242 R HN 0.800 nan 8.270 nan 0.000 0.470 243 L N 4.667 125.764 121.223 -0.210 0.000 2.322 243 L HA 0.505 4.847 4.340 0.002 0.000 0.279 243 L C -0.631 176.221 176.870 -0.030 0.000 1.036 243 L CA -0.935 53.875 54.840 -0.051 0.000 0.807 243 L CB 1.327 43.410 42.059 0.040 0.000 1.226 243 L HN 0.568 nan 8.230 nan 0.000 0.433 244 W N 1.278 122.720 121.300 0.237 0.000 2.449 244 W HA 0.467 5.128 4.660 0.002 0.000 0.331 244 W C 0.259 177.013 176.519 0.391 0.000 1.119 244 W CA -0.172 57.348 57.345 0.292 0.000 1.240 244 W CB 1.666 31.216 29.460 0.151 0.000 1.251 244 W HN 0.309 nan 8.180 nan 0.000 0.576 245 S N 1.067 117.181 115.700 0.690 0.000 2.513 245 S HA 0.712 5.183 4.470 0.002 0.000 0.299 245 S C -0.498 174.445 174.600 0.571 0.000 1.087 245 S CA -0.787 57.727 58.200 0.523 0.000 1.012 245 S CB 1.173 64.618 63.200 0.409 0.000 1.044 245 S HN 0.501 nan 8.310 nan 0.000 0.485 246 A N 3.971 126.964 122.820 0.288 0.000 2.409 246 A HA 0.666 4.987 4.320 0.002 0.000 0.267 246 A C -0.061 177.623 177.584 0.166 0.000 1.127 246 A CA -0.207 51.914 52.037 0.141 0.000 0.795 246 A CB 0.140 18.975 19.000 -0.275 0.000 1.061 246 A HN 0.613 nan 8.150 nan 0.000 0.502 247 R N 1.101 121.724 120.500 0.205 0.000 2.744 247 R HA 0.648 4.990 4.340 0.002 0.000 0.279 247 R C -0.113 176.261 176.300 0.123 0.000 0.977 247 R CA -0.493 55.696 56.100 0.148 0.000 0.906 247 R CB 1.684 32.079 30.300 0.159 0.000 1.197 247 R HN 0.847 nan 8.270 nan 0.000 0.463 248 A N 3.977 126.850 122.820 0.090 0.000 2.425 248 A HA 0.518 4.839 4.320 0.002 0.000 0.242 248 A C -1.887 175.752 177.584 0.092 0.000 1.077 248 A CA -0.743 51.343 52.037 0.082 0.000 0.781 248 A CB -0.337 18.700 19.000 0.062 0.000 1.020 248 A HN 0.407 nan 8.150 nan 0.000 0.494 249 P HA 0.331 nan 4.420 nan 0.000 0.284 249 P C -1.053 176.300 177.300 0.087 0.000 1.292 249 P CA -0.755 62.401 63.100 0.093 0.000 0.800 249 P CB 0.497 32.260 31.700 0.104 0.000 1.188 250 N N 0.019 118.760 118.700 0.069 0.000 2.707 250 N HA 0.346 5.088 4.740 0.002 0.000 0.235 250 N C -1.557 173.978 175.510 0.041 0.000 1.028 250 N CA -0.138 52.948 53.050 0.060 0.000 0.906 250 N CB -0.389 38.127 38.487 0.049 0.000 1.131 250 N HN 0.380 nan 8.380 nan 0.000 0.509 251 D N 0.719 121.146 120.400 0.045 0.000 4.874 251 D HA -0.162 4.479 4.640 0.002 0.000 0.228 251 D C -0.443 175.842 176.300 -0.025 0.000 1.423 251 D CA 0.313 54.296 54.000 -0.027 0.000 1.130 251 D CB -0.417 40.338 40.800 -0.075 0.000 0.564 251 D HN 0.383 nan 8.370 nan 0.000 0.272 262 Y N 5.192 125.502 120.300 0.017 0.000 2.163 262 Y HA -0.065 4.486 4.550 0.002 0.000 0.288 262 Y C 1.510 177.421 175.900 0.019 0.000 1.136 262 Y CA 1.459 59.570 58.100 0.019 0.000 1.147 262 Y CB -0.100 38.370 38.460 0.017 0.000 0.987 262 Y HN 0.509 nan 8.280 nan 0.000 0.509 263 I N 0.881 121.356 120.570 -0.158 0.000 2.118 263 I HA -0.321 3.850 4.170 0.002 0.000 0.241 263 I C 2.456 178.454 176.117 -0.199 0.000 1.070 263 I CA 1.846 63.007 61.300 -0.232 0.000 1.327 263 I CB -1.707 36.273 38.000 -0.033 0.000 1.034 263 I HN 0.353 nan 8.210 nan 0.000 0.405 264 Q N 1.154 120.895 119.800 -0.099 0.000 2.096 264 Q HA -0.139 4.202 4.340 0.002 0.000 0.204 264 Q C 2.216 178.164 176.000 -0.087 0.000 0.982 264 Q CA 2.324 58.085 55.803 -0.071 0.000 0.850 264 Q CB -0.455 28.264 28.738 -0.032 0.000 0.901 264 Q HN 0.471 nan 8.270 nan 0.000 0.422 265 A N -0.613 122.145 122.820 -0.102 0.000 1.883 265 A HA -0.172 4.150 4.320 0.002 0.000 0.217 265 A C 2.317 179.830 177.584 -0.118 0.000 1.186 265 A CA 1.868 53.855 52.037 -0.084 0.000 0.624 265 A CB -0.963 18.005 19.000 -0.053 0.000 0.822 265 A HN 0.285 nan 8.150 nan 0.000 0.444 266 V N 0.114 119.888 119.914 -0.234 0.000 2.358 266 V HA -0.206 3.915 4.120 0.002 0.000 0.246 266 V C 2.527 178.552 176.094 -0.114 0.000 1.047 266 V CA 1.697 63.875 62.300 -0.204 0.000 1.035 266 V CB -0.599 31.018 31.823 -0.344 0.000 0.658 266 V HN 0.562 nan 8.190 nan 0.000 0.452 267 L N -0.334 120.822 121.223 -0.112 0.000 2.131 267 L HA -0.185 4.156 4.340 0.002 0.000 0.210 267 L C 2.192 179.034 176.870 -0.046 0.000 1.092 267 L CA 1.496 56.297 54.840 -0.065 0.000 0.759 267 L CB -0.721 41.304 42.059 -0.058 0.000 0.903 267 L HN 0.356 nan 8.230 nan 0.000 0.435 268 D N 0.113 120.482 120.400 -0.051 0.000 2.310 268 D HA -0.109 4.532 4.640 0.002 0.000 0.212 268 D C 2.160 178.444 176.300 -0.027 0.000 0.965 268 D CA 0.594 54.572 54.000 -0.037 0.000 0.879 268 D CB 0.020 40.798 40.800 -0.037 0.000 0.921 268 D HN 0.253 nan 8.370 nan 0.000 0.510 269 R N 0.279 120.766 120.500 -0.022 0.000 2.249 269 R HA -0.059 4.283 4.340 0.002 0.000 0.230 269 R C 1.789 178.087 176.300 -0.003 0.000 1.121 269 R CA 0.668 56.765 56.100 -0.005 0.000 0.997 269 R CB -0.288 30.014 30.300 0.003 0.000 0.867 269 R HN 0.357 nan 8.270 nan 0.000 0.465 270 N N 0.726 119.422 118.700 -0.008 0.000 2.091 270 N HA -0.216 4.525 4.740 0.002 0.000 0.193 270 N C 1.604 177.108 175.510 -0.010 0.000 1.021 270 N CA 1.241 54.289 53.050 -0.003 0.000 0.862 270 N CB -0.226 38.258 38.487 -0.004 0.000 1.018 270 N HN 0.191 nan 8.380 nan 0.000 0.429 271 L N 0.739 121.950 121.223 -0.021 0.000 2.017 271 L HA -0.137 4.204 4.340 0.002 0.000 0.208 271 L C 2.701 179.540 176.870 -0.052 0.000 1.073 271 L CA 1.110 55.930 54.840 -0.034 0.000 0.745 271 L CB -0.755 41.280 42.059 -0.040 0.000 0.894 271 L HN 0.168 nan 8.230 nan 0.000 0.432 272 A N 0.517 123.310 122.820 -0.045 0.000 1.892 272 A HA -0.238 4.083 4.320 0.002 0.000 0.218 272 A C 2.138 179.686 177.584 -0.061 0.000 1.188 272 A CA 1.992 53.998 52.037 -0.052 0.000 0.631 272 A CB -0.601 18.399 19.000 0.001 0.000 0.822 272 A HN 0.550 nan 8.150 nan 0.000 0.447 273 E N -0.249 119.937 120.200 -0.023 0.000 2.478 273 E HA -0.097 4.255 4.350 0.002 0.000 0.198 273 E C 1.296 177.882 176.600 -0.023 0.000 1.046 273 E CA 0.541 56.933 56.400 -0.014 0.000 0.870 273 E CB -0.373 29.342 29.700 0.025 0.000 0.818 273 E HN 0.732 nan 8.360 nan 0.000 0.527 274 N N 0.709 119.392 118.700 -0.029 0.000 2.443 274 N HA -0.100 4.642 4.740 0.002 0.000 0.184 274 N C 1.614 177.112 175.510 -0.021 0.000 1.037 274 N CA 0.349 53.396 53.050 -0.006 0.000 0.896 274 N CB 0.021 38.505 38.487 -0.006 0.000 0.959 274 N HN 0.166 nan 8.380 nan 0.000 0.442 275 I N -0.074 120.419 120.570 -0.129 0.000 2.233 275 I HA -0.169 4.002 4.170 0.002 0.000 0.243 275 I C 1.616 177.650 176.117 -0.139 0.000 1.093 275 I CA 0.817 61.998 61.300 -0.198 0.000 1.380 275 I CB -0.103 37.635 38.000 -0.437 0.000 1.067 275 I HN 0.111 nan 8.210 nan 0.000 0.413 276 S N 0.569 116.151 115.700 -0.196 0.000 2.677 276 S HA 0.144 4.616 4.470 0.002 0.000 0.246 276 S C 1.458 176.155 174.600 0.161 0.000 1.005 276 S CA -0.403 57.773 58.200 -0.041 0.000 1.062 276 S CB -0.199 62.965 63.200 -0.059 0.000 0.778 276 S HN 0.304 nan 8.310 nan 0.000 0.461 277 R N 0.286 120.916 120.500 0.216 0.000 2.090 277 R HA 0.342 4.683 4.340 0.002 0.000 0.219 277 R C 0.085 176.646 176.300 0.436 0.000 1.100 277 R CA 0.790 57.061 56.100 0.284 0.000 0.991 277 R CB 0.266 30.697 30.300 0.217 0.000 0.893 277 R HN 0.395 nan 8.270 nan 0.000 0.443 278 V N 1.274 121.431 119.914 0.404 0.000 2.817 278 V HA 0.281 4.402 4.120 0.002 0.000 0.303 278 V C -1.468 174.630 176.094 0.006 0.000 1.151 278 V CA -1.196 61.265 62.300 0.268 0.000 0.929 278 V CB 1.752 33.650 31.823 0.126 0.000 1.030 278 V HN 0.179 nan 8.190 nan 0.000 0.427 279 L N 7.452 128.412 121.223 -0.439 0.000 2.455 279 L HA 0.407 4.748 4.340 0.002 0.000 0.272 279 L C -0.661 176.051 176.870 -0.263 0.000 1.174 279 L CA 0.598 54.920 54.840 -0.863 0.000 0.869 279 L CB 0.230 41.696 42.059 -0.989 0.000 1.130 279 L HN 0.686 nan 8.230 nan 0.000 0.474 280 Y N 6.792 126.987 120.300 -0.175 0.000 2.650 280 Y HA 0.155 4.707 4.550 0.002 0.000 0.331 280 Y C -1.320 174.559 175.900 -0.035 0.000 1.165 280 Y CA -0.890 57.184 58.100 -0.044 0.000 1.473 280 Y CB 0.400 38.865 38.460 0.008 0.000 1.224 280 Y HN 0.598 nan 8.280 nan 0.000 0.533 281 P HA 0.046 nan 4.420 nan 0.000 0.254 281 P C -0.881 176.519 177.300 0.166 0.000 1.494 281 P CA 0.050 63.224 63.100 0.122 0.000 0.961 281 P CB 0.177 32.020 31.700 0.237 0.000 1.493 282 N N 1.409 120.223 118.700 0.191 0.000 2.444 282 N HA 0.091 4.832 4.740 0.002 0.000 0.271 282 N C -0.342 175.300 175.510 0.221 0.000 1.069 282 N CA 0.320 53.504 53.050 0.222 0.000 0.965 282 N CB 0.982 39.642 38.487 0.290 0.000 1.092 282 N HN 0.124 nan 8.380 nan 0.000 0.476 283 D N 2.168 122.730 120.400 0.271 0.000 2.274 283 D HA 0.103 4.745 4.640 0.002 0.000 0.239 283 D C -0.148 176.471 176.300 0.532 0.000 1.104 283 D CA -0.115 54.098 54.000 0.355 0.000 0.840 283 D CB 0.342 41.377 40.800 0.393 0.000 1.100 283 D HN 0.375 nan 8.370 nan 0.000 0.477 284 N N 2.750 121.652 118.700 0.337 0.000 2.735 284 N HA -0.263 4.479 4.740 0.002 0.000 0.248 284 N C -1.036 174.696 175.510 0.370 0.000 1.083 284 N CA 0.654 53.864 53.050 0.265 0.000 0.703 284 N CB -1.175 37.361 38.487 0.082 0.000 1.005 284 N HN 0.424 nan 8.380 nan 0.000 0.550 285 F N 0.658 120.704 119.950 0.161 0.000 2.607 285 F HA 0.439 4.967 4.527 0.002 0.000 0.322 285 F C -0.881 174.982 175.800 0.105 0.000 1.176 285 F CA -1.126 56.937 58.000 0.106 0.000 0.977 285 F CB 0.790 39.813 39.000 0.039 0.000 1.242 285 F HN -0.062 nan 8.300 nan 0.000 0.465 286 F N 5.801 125.370 119.950 -0.635 0.000 2.438 286 F HA 0.400 4.928 4.527 0.002 0.000 0.356 286 F C -0.287 175.053 175.800 -0.766 0.000 1.099 286 F CA -0.152 57.492 58.000 -0.594 0.000 1.185 286 F CB 0.691 39.377 39.000 -0.524 0.000 1.115 286 F HN 0.598 nan 8.300 nan 0.000 0.526 287 E N 4.215 123.732 120.200 -1.140 0.000 2.235 287 E HA 0.354 4.705 4.350 0.002 0.000 0.252 287 E C -0.014 175.859 176.600 -1.212 0.000 0.886 287 E CA -0.626 55.277 56.400 -0.829 0.000 0.767 287 E CB 0.882 30.498 29.700 -0.140 0.000 1.205 287 E HN 0.889 nan 8.360 nan 0.000 0.421 288 G N 5.230 113.237 108.800 -1.322 0.000 3.263 288 G HA2 -0.028 3.933 3.960 0.002 0.000 0.246 288 G HA3 -0.028 3.933 3.960 0.002 0.000 0.246 288 G C 0.148 174.984 174.900 -0.107 0.000 0.982 288 G CA -0.146 44.390 45.100 -0.941 0.000 1.897 288 G HN 0.221 nan 8.290 nan 0.000 0.624 289 K N 0.399 120.759 120.400 -0.066 0.000 2.185 289 K HA 0.132 4.454 4.320 0.002 0.000 0.271 289 K C 1.118 177.840 176.600 0.204 0.000 1.013 289 K CA -0.438 55.910 56.287 0.101 0.000 0.943 289 K CB 1.631 34.214 32.500 0.138 0.000 0.998 289 K HN 0.374 nan 8.250 nan 0.000 0.468 290 E N 1.603 121.896 120.200 0.155 0.000 2.051 290 E HA -0.202 4.149 4.350 0.002 0.000 0.192 290 E C 1.629 178.259 176.600 0.050 0.000 0.991 290 E CA 0.997 57.454 56.400 0.096 0.000 0.799 290 E CB 0.143 29.897 29.700 0.089 0.000 0.748 290 E HN 0.354 nan 8.360 nan 0.000 0.449 291 L N 1.391 122.678 121.223 0.106 0.000 2.081 291 L HA -0.210 4.131 4.340 0.002 0.000 0.212 291 L C 2.443 179.375 176.870 0.103 0.000 1.080 291 L CA 1.736 56.649 54.840 0.121 0.000 0.754 291 L CB -0.500 41.709 42.059 0.250 0.000 0.893 291 L HN 0.004 nan 8.230 nan 0.000 0.433 292 R N -0.791 119.713 120.500 0.007 0.000 2.092 292 R HA -0.140 4.201 4.340 0.002 0.000 0.231 292 R C 2.087 178.396 176.300 0.016 0.000 1.119 292 R CA 1.703 57.720 56.100 -0.137 0.000 0.970 292 R CB -0.963 29.070 30.300 -0.445 0.000 0.864 292 R HN 0.388 nan 8.270 nan 0.000 0.440 293 L N 0.942 122.092 121.223 -0.121 0.000 2.046 293 L HA -0.082 4.259 4.340 0.002 0.000 0.208 293 L C 1.654 178.450 176.870 -0.123 0.000 1.077 293 L CA 1.905 56.464 54.840 -0.470 0.000 0.747 293 L CB -0.431 41.053 42.059 -0.958 0.000 0.896 293 L HN 0.152 nan 8.230 nan 0.000 0.432 294 K N -0.859 119.528 120.400 -0.021 0.000 2.032 294 K HA -0.220 4.102 4.320 0.002 0.000 0.209 294 K C 2.041 178.791 176.600 0.250 0.000 1.048 294 K CA 1.862 58.227 56.287 0.128 0.000 0.927 294 K CB -0.333 32.077 32.500 -0.151 0.000 0.712 294 K HN 0.513 nan 8.250 nan 0.000 0.441 295 Q N 0.849 120.752 119.800 0.172 0.000 2.112 295 Q HA -0.230 4.111 4.340 0.002 0.000 0.206 295 Q C 2.022 178.202 176.000 0.302 0.000 0.987 295 Q CA 1.664 57.617 55.803 0.250 0.000 0.858 295 Q CB -0.127 28.780 28.738 0.283 0.000 0.905 295 Q HN 0.431 nan 8.270 nan 0.000 0.420 296 E N -0.468 119.865 120.200 0.221 0.000 2.107 296 E HA -0.179 4.172 4.350 0.002 0.000 0.191 296 E C 1.715 178.412 176.600 0.161 0.000 0.982 296 E CA 0.801 57.316 56.400 0.192 0.000 0.809 296 E CB -0.078 29.712 29.700 0.150 0.000 0.756 296 E HN 0.332 nan 8.360 nan 0.000 0.459 297 Y N 0.381 120.705 120.300 0.040 0.000 2.220 297 Y HA -0.201 4.351 4.550 0.002 0.000 0.291 297 Y C 1.923 177.824 175.900 0.002 0.000 1.129 297 Y CA 1.041 59.105 58.100 -0.059 0.000 1.161 297 Y CB -0.411 37.956 38.460 -0.154 0.000 0.997 297 Y HN 0.006 nan 8.280 nan 0.000 0.522 298 F N -0.152 119.772 119.950 -0.044 0.000 2.043 298 F HA -0.297 4.231 4.527 0.002 0.000 0.297 298 F C 2.508 178.165 175.800 -0.239 0.000 1.118 298 F CA 2.291 60.236 58.000 -0.092 0.000 1.202 298 F CB -1.078 38.012 39.000 0.149 0.000 0.965 298 F HN -0.040 nan 8.300 nan 0.000 0.482 299 V N -0.569 119.344 119.914 -0.001 0.000 2.427 299 V HA -0.187 3.934 4.120 0.002 0.000 0.248 299 V C 2.182 178.131 176.094 -0.242 0.000 1.051 299 V CA 1.776 64.030 62.300 -0.078 0.000 1.048 299 V CB -0.300 31.660 31.823 0.229 0.000 0.666 299 V HN 0.281 nan 8.190 nan 0.000 0.456 300 V N 0.415 120.194 119.914 -0.224 0.000 2.307 300 V HA -0.193 3.928 4.120 0.002 0.000 0.245 300 V C 2.807 178.625 176.094 -0.459 0.000 1.045 300 V CA 2.163 64.307 62.300 -0.260 0.000 1.024 300 V CB -1.056 30.674 31.823 -0.155 0.000 0.651 300 V HN 0.642 nan 8.190 nan 0.000 0.449 301 A N -0.169 122.207 122.820 -0.740 0.000 1.883 301 A HA -0.155 4.166 4.320 0.002 0.000 0.217 301 A C 2.371 179.540 177.584 -0.692 0.000 1.186 301 A CA 2.310 53.873 52.037 -0.788 0.000 0.624 301 A CB -0.821 17.456 19.000 -1.206 0.000 0.822 301 A HN 0.591 nan 8.150 nan 0.000 0.444 302 A N -1.370 120.875 122.820 -0.958 0.000 1.929 302 A HA 0.007 4.328 4.320 0.002 0.000 0.216 302 A C 2.280 179.292 177.584 -0.952 0.000 1.176 302 A CA 2.081 53.364 52.037 -1.256 0.000 0.628 302 A CB -1.073 16.538 19.000 -2.315 0.000 0.816 302 A HN 0.431 nan 8.150 nan 0.000 0.444 303 T N 0.642 114.752 114.554 -0.740 0.000 2.737 303 T HA -0.081 4.270 4.350 0.002 0.000 0.265 303 T C 1.824 176.187 174.700 -0.563 0.000 1.038 303 T CA 1.445 63.194 62.100 -0.585 0.000 1.144 303 T CB -0.403 68.154 68.868 -0.519 0.000 0.866 303 T HN 0.352 nan 8.240 nan 0.000 0.434 304 L N 0.847 121.811 121.223 -0.432 0.000 2.079 304 L HA -0.177 4.165 4.340 0.002 0.000 0.210 304 L C 2.974 179.683 176.870 -0.268 0.000 1.081 304 L CA 1.387 56.034 54.840 -0.322 0.000 0.752 304 L CB -0.616 41.300 42.059 -0.238 0.000 0.896 304 L HN 0.364 nan 8.230 nan 0.000 0.433 305 Q N -0.306 119.332 119.800 -0.269 0.000 1.993 305 Q HA -0.257 4.084 4.340 0.002 0.000 0.202 305 Q C 1.874 177.806 176.000 -0.113 0.000 0.984 305 Q CA 1.844 57.549 55.803 -0.164 0.000 0.837 305 Q CB -0.307 28.333 28.738 -0.164 0.000 0.902 305 Q HN 0.386 nan 8.270 nan 0.000 0.423 306 D N 0.652 120.976 120.400 -0.127 0.000 2.191 306 D HA -0.183 4.458 4.640 0.002 0.000 0.195 306 D C 1.671 177.873 176.300 -0.163 0.000 1.003 306 D CA 1.169 55.124 54.000 -0.074 0.000 0.867 306 D CB -0.121 40.751 40.800 0.120 0.000 0.926 306 D HN 0.196 nan 8.370 nan 0.000 0.450 307 I N -0.416 119.974 120.570 -0.300 0.000 2.233 307 I HA -0.181 3.990 4.170 0.002 0.000 0.243 307 I C 2.292 178.438 176.117 0.049 0.000 1.093 307 I CA 0.496 61.599 61.300 -0.329 0.000 1.380 307 I CB -0.086 37.551 38.000 -0.605 0.000 1.067 307 I HN 0.034 nan 8.210 nan 0.000 0.413 308 I N 0.450 121.101 120.570 0.136 0.000 2.142 308 I HA -0.321 3.850 4.170 0.002 0.000 0.240 308 I C 2.794 179.109 176.117 0.331 0.000 1.078 308 I CA 1.365 62.885 61.300 0.366 0.000 1.343 308 I CB -0.411 37.728 38.000 0.231 0.000 1.046 308 I HN 0.165 nan 8.210 nan 0.000 0.405 309 R N 1.019 121.616 120.500 0.162 0.000 2.119 309 R HA -0.271 4.070 4.340 0.002 0.000 0.246 309 R C 2.467 178.845 176.300 0.129 0.000 1.146 309 R CA 2.075 58.251 56.100 0.127 0.000 0.962 309 R CB -0.328 30.006 30.300 0.056 0.000 0.863 309 R HN 0.267 nan 8.270 nan 0.000 0.442 310 R N -0.649 119.915 120.500 0.106 0.000 2.073 310 R HA -0.140 4.201 4.340 0.002 0.000 0.229 310 R C 2.253 178.669 176.300 0.193 0.000 1.120 310 R CA 1.569 57.736 56.100 0.111 0.000 0.967 310 R CB -0.374 29.964 30.300 0.064 0.000 0.862 310 R HN 0.320 nan 8.270 nan 0.000 0.436 311 F N 1.428 121.437 119.950 0.097 0.000 2.146 311 F HA -0.087 4.441 4.527 0.002 0.000 0.298 311 F C 1.843 177.705 175.800 0.104 0.000 1.096 311 F CA 1.513 59.572 58.000 0.098 0.000 1.275 311 F CB -0.065 39.031 39.000 0.161 0.000 1.008 311 F HN -0.158 nan 8.300 nan 0.000 0.480 312 K N 0.289 120.708 120.400 0.032 0.000 2.147 312 K HA -0.036 4.285 4.320 0.002 0.000 0.205 312 K C 2.005 178.572 176.600 -0.055 0.000 1.049 312 K CA 1.132 57.364 56.287 -0.092 0.000 0.936 312 K CB -0.422 32.143 32.500 0.109 0.000 0.722 312 K HN 0.358 nan 8.250 nan 0.000 0.446 313 A N 0.597 123.446 122.820 0.048 0.000 2.238 313 A HA 0.026 4.348 4.320 0.002 0.000 0.208 313 A C 0.691 178.375 177.584 0.166 0.000 1.177 313 A CA 0.292 52.397 52.037 0.113 0.000 0.804 313 A CB -0.201 18.891 19.000 0.153 0.000 0.823 313 A HN 0.284 nan 8.150 nan 0.000 0.482 314 S N -1.738 113.992 115.700 0.049 0.000 2.651 314 S HA 0.507 4.978 4.470 0.002 0.000 0.291 314 S C 0.732 175.283 174.600 -0.080 0.000 1.141 314 S CA -0.344 57.864 58.200 0.013 0.000 1.027 314 S CB 1.580 64.799 63.200 0.032 0.000 1.043 314 S HN 0.128 nan 8.310 nan 0.000 0.530 315 K N 0.498 120.828 120.400 -0.117 0.000 2.528 315 K HA -0.234 4.087 4.320 0.002 0.000 0.204 315 K C 0.285 176.775 176.600 -0.183 0.000 0.852 315 K CA 2.466 58.671 56.287 -0.137 0.000 0.955 315 K CB -1.292 31.156 32.500 -0.087 0.000 1.245 315 K HN 0.625 nan 8.250 nan 0.000 0.546 325 V N -1.792 118.165 119.914 0.071 0.000 2.913 325 V HA 0.179 4.300 4.120 0.002 0.000 0.260 325 V C 1.906 178.087 176.094 0.144 0.000 1.098 325 V CA 0.936 63.246 62.300 0.017 0.000 1.121 325 V CB -1.479 30.270 31.823 -0.123 0.000 0.714 325 V HN 0.538 nan 8.190 nan 0.000 0.487 326 F N 1.162 121.263 119.950 0.252 0.000 2.664 326 F HA -0.024 4.504 4.527 0.002 0.000 0.297 326 F C 1.970 177.805 175.800 0.058 0.000 1.164 326 F CA 1.196 59.289 58.000 0.154 0.000 1.472 326 F CB -0.503 38.381 39.000 -0.193 0.000 1.108 326 F HN 0.204 nan 8.300 nan 0.000 0.596 327 D N 0.082 120.616 120.400 0.223 0.000 2.264 327 D HA -0.096 4.545 4.640 0.002 0.000 0.208 327 D C 2.164 178.572 176.300 0.179 0.000 0.966 327 D CA 0.985 55.071 54.000 0.145 0.000 0.864 327 D CB -0.060 40.803 40.800 0.104 0.000 0.933 327 D HN 0.275 nan 8.370 nan 0.000 0.499 328 A N -0.702 122.292 122.820 0.289 0.000 2.147 328 A HA 0.049 4.370 4.320 0.002 0.000 0.211 328 A C 1.766 179.463 177.584 0.189 0.000 1.160 328 A CA -0.205 52.001 52.037 0.281 0.000 0.781 328 A CB -0.577 18.712 19.000 0.481 0.000 0.842 328 A HN 0.140 nan 8.150 nan 0.000 0.475 329 F N 1.978 121.909 119.950 -0.032 0.000 2.048 329 F HA -0.203 4.325 4.527 0.002 0.000 0.296 329 F C -0.828 174.861 175.800 -0.184 0.000 1.109 329 F CA 2.892 60.675 58.000 -0.363 0.000 1.214 329 F CB -0.700 38.097 39.000 -0.339 0.000 0.963 329 F HN 0.203 nan 8.300 nan 0.000 0.491 330 P HA -0.037 nan 4.420 nan 0.000 0.242 330 P C 0.383 177.631 177.300 -0.086 0.000 1.197 330 P CA 1.148 64.225 63.100 -0.037 0.000 0.765 330 P CB -0.065 31.638 31.700 0.005 0.000 0.936 331 D N -1.041 119.309 120.400 -0.082 0.000 2.350 331 D HA 0.022 4.664 4.640 0.002 0.000 0.213 331 D C 1.478 177.663 176.300 -0.193 0.000 1.031 331 D CA 0.652 54.592 54.000 -0.100 0.000 0.861 331 D CB 0.272 41.044 40.800 -0.048 0.000 0.926 331 D HN 0.217 nan 8.370 nan 0.000 0.520 332 Q N 0.021 119.667 119.800 -0.256 0.000 2.164 332 Q HA 0.194 4.535 4.340 0.002 0.000 0.226 332 Q C -0.440 175.360 176.000 -0.332 0.000 0.813 332 Q CA 0.138 55.756 55.803 -0.310 0.000 0.978 332 Q CB 2.786 31.344 28.738 -0.300 0.000 1.149 332 Q HN 0.005 nan 8.270 nan 0.000 0.489 333 V N 0.511 120.191 119.914 -0.390 0.000 2.777 333 V HA 0.744 4.865 4.120 0.002 0.000 0.306 333 V C -1.186 174.768 176.094 -0.233 0.000 1.112 333 V CA -0.943 61.123 62.300 -0.392 0.000 0.917 333 V CB 1.925 33.234 31.823 -0.855 0.000 1.018 333 V HN 0.106 nan 8.190 nan 0.000 0.426 334 A N 5.510 128.238 122.820 -0.153 0.000 2.374 334 A HA 0.940 5.262 4.320 0.002 0.000 0.305 334 A C -1.063 176.503 177.584 -0.030 0.000 1.053 334 A CA -0.447 51.545 52.037 -0.076 0.000 0.726 334 A CB 1.124 20.070 19.000 -0.090 0.000 1.229 334 A HN 0.766 nan 8.150 nan 0.000 0.431 335 I N 2.063 122.639 120.570 0.010 0.000 2.411 335 I HA 0.251 4.422 4.170 0.002 0.000 0.284 335 I C -0.422 175.872 176.117 0.296 0.000 1.012 335 I CA -0.657 60.723 61.300 0.134 0.000 1.119 335 I CB 1.897 39.946 38.000 0.082 0.000 1.261 335 I HN 0.641 nan 8.210 nan 0.000 0.448 336 Q N 5.639 125.583 119.800 0.239 0.000 2.294 336 Q HA 0.363 4.704 4.340 0.002 0.000 0.257 336 Q C -1.056 174.987 176.000 0.071 0.000 0.955 336 Q CA -0.405 55.547 55.803 0.250 0.000 0.936 336 Q CB 0.945 29.885 28.738 0.336 0.000 1.188 336 Q HN 0.401 nan 8.270 nan 0.000 0.420 337 L N 4.253 125.562 121.223 0.142 0.000 2.315 337 L HA 0.222 4.563 4.340 0.002 0.000 0.283 337 L C 0.124 177.023 176.870 0.050 0.000 1.089 337 L CA 0.045 54.932 54.840 0.079 0.000 0.833 337 L CB 0.301 42.419 42.059 0.098 0.000 1.170 337 L HN 0.580 nan 8.230 nan 0.000 0.442 338 N N 4.630 123.293 118.700 -0.061 0.000 2.739 338 N HA 0.063 4.804 4.740 0.002 0.000 0.266 338 N C 0.011 175.518 175.510 -0.005 0.000 1.168 338 N CA 0.380 53.422 53.050 -0.013 0.000 1.055 338 N CB -0.254 38.167 38.487 -0.111 0.000 1.393 338 N HN 0.600 nan 8.380 nan 0.000 0.514 339 D N -0.716 119.760 120.400 0.126 0.000 4.808 339 D HA -0.230 4.411 4.640 0.002 0.000 0.304 339 D C 0.462 176.828 176.300 0.110 0.000 2.360 339 D CA 1.496 55.562 54.000 0.110 0.000 1.222 339 D CB -0.454 40.240 40.800 -0.176 0.000 1.085 339 D HN 0.477 nan 8.370 nan 0.000 1.266 340 T N -2.381 112.231 114.554 0.097 0.000 3.085 340 T HA -0.002 4.350 4.350 0.002 0.000 0.263 340 T C 1.686 176.475 174.700 0.148 0.000 1.127 340 T CA 1.793 63.924 62.100 0.051 0.000 1.103 340 T CB -0.541 68.332 68.868 0.008 0.000 0.921 340 T HN 0.520 nan 8.240 nan 0.000 0.510 341 H N 2.860 122.010 119.070 0.133 0.000 2.321 341 H HA -0.043 4.514 4.556 0.002 0.000 0.295 341 H C -0.940 174.467 175.328 0.133 0.000 1.102 341 H CA 1.098 57.245 56.048 0.164 0.000 1.266 341 H CB -1.309 28.558 29.762 0.175 0.000 1.363 341 H HN 0.438 nan 8.280 nan 0.000 0.492 342 P HA 0.200 nan 4.420 nan 0.000 0.227 342 P C 0.225 177.515 177.300 -0.017 0.000 1.801 342 P CA 0.348 63.507 63.100 0.098 0.000 0.971 342 P CB 0.274 32.028 31.700 0.090 0.000 1.653 343 A N 0.634 123.446 122.820 -0.013 0.000 1.898 343 A HA -0.112 4.209 4.320 0.002 0.000 0.216 343 A C 2.025 179.519 177.584 -0.150 0.000 1.181 343 A CA 1.053 53.016 52.037 -0.124 0.000 0.620 343 A CB -1.369 17.577 19.000 -0.090 0.000 0.819 343 A HN 0.239 nan 8.150 nan 0.000 0.442 344 L N -0.407 120.766 121.223 -0.084 0.000 2.270 344 L HA -0.274 4.068 4.340 0.002 0.000 0.217 344 L C 2.885 179.704 176.870 -0.086 0.000 1.107 344 L CA 0.777 55.565 54.840 -0.086 0.000 0.772 344 L CB -0.601 41.411 42.059 -0.078 0.000 0.902 344 L HN 0.450 nan 8.230 nan 0.000 0.439 345 A N 0.194 122.924 122.820 -0.149 0.000 2.084 345 A HA -0.209 4.113 4.320 0.002 0.000 0.221 345 A C 2.164 179.587 177.584 -0.268 0.000 1.161 345 A CA 1.713 53.647 52.037 -0.171 0.000 0.653 345 A CB -0.565 18.340 19.000 -0.160 0.000 0.802 345 A HN 0.431 nan 8.150 nan 0.000 0.457 346 I N 0.078 120.401 120.570 -0.413 0.000 2.188 346 I HA -0.084 4.088 4.170 0.002 0.000 0.237 346 I C -0.395 175.710 176.117 -0.019 0.000 1.073 346 I CA 0.997 62.121 61.300 -0.294 0.000 1.359 346 I CB -0.976 36.839 38.000 -0.308 0.000 1.083 346 I HN 0.165 nan 8.210 nan 0.000 0.412 347 P HA -0.209 nan 4.420 nan 0.000 0.221 347 P C 1.227 178.584 177.300 0.096 0.000 1.145 347 P CA 1.604 64.745 63.100 0.068 0.000 0.795 347 P CB 0.044 31.803 31.700 0.099 0.000 0.775 348 E N 0.093 120.393 120.200 0.167 0.000 2.028 348 E HA -0.148 4.204 4.350 0.002 0.000 0.191 348 E C 1.972 178.549 176.600 -0.039 0.000 0.988 348 E CA 0.616 57.131 56.400 0.192 0.000 0.799 348 E CB -1.220 28.610 29.700 0.217 0.000 0.755 348 E HN -0.045 nan 8.360 nan 0.000 0.447 349 L N 0.165 121.331 121.223 -0.095 0.000 1.990 349 L HA -0.211 4.130 4.340 0.002 0.000 0.213 349 L C 2.181 178.774 176.870 -0.463 0.000 1.072 349 L CA 1.988 56.614 54.840 -0.358 0.000 0.755 349 L CB -0.760 41.174 42.059 -0.208 0.000 0.889 349 L HN 0.281 nan 8.230 nan 0.000 0.432 350 M N -0.882 118.607 119.600 -0.185 0.000 2.082 350 M HA -0.278 4.203 4.480 0.002 0.000 0.258 350 M C 2.415 178.641 176.300 -0.123 0.000 1.071 350 M CA 1.813 57.038 55.300 -0.124 0.000 1.103 350 M CB -1.394 31.133 32.600 -0.122 0.000 1.307 350 M HN 0.317 nan 8.290 nan 0.000 0.409 351 R N 0.282 120.698 120.500 -0.139 0.000 2.133 351 R HA -0.213 4.128 4.340 0.002 0.000 0.245 351 R C 2.125 178.358 176.300 -0.112 0.000 1.137 351 R CA 2.092 58.100 56.100 -0.153 0.000 0.947 351 R CB -0.458 29.677 30.300 -0.275 0.000 0.865 351 R HN 0.380 nan 8.270 nan 0.000 0.437 352 I N -0.429 120.039 120.570 -0.170 0.000 2.179 352 I HA -0.293 3.878 4.170 0.002 0.000 0.242 352 I C 2.221 178.253 176.117 -0.141 0.000 1.088 352 I CA 1.464 62.652 61.300 -0.186 0.000 1.357 352 I CB -0.422 37.405 38.000 -0.288 0.000 1.051 352 I HN 0.206 nan 8.210 nan 0.000 0.409 353 F N 0.386 120.163 119.950 -0.287 0.000 2.095 353 F HA -0.249 4.279 4.527 0.002 0.000 0.298 353 F C 2.520 178.186 175.800 -0.223 0.000 1.104 353 F CA 1.013 58.790 58.000 -0.370 0.000 1.232 353 F CB -0.249 38.511 39.000 -0.400 0.000 0.987 353 F HN -0.130 nan 8.300 nan 0.000 0.475 354 V N -0.167 119.791 119.914 0.073 0.000 2.239 354 V HA -0.265 3.856 4.120 0.002 0.000 0.242 354 V C 1.666 177.789 176.094 0.049 0.000 1.038 354 V CA 2.003 64.343 62.300 0.067 0.000 1.002 354 V CB -0.524 31.376 31.823 0.127 0.000 0.641 354 V HN 0.209 nan 8.190 nan 0.000 0.449 355 D N -0.430 119.988 120.400 0.029 0.000 2.183 355 D HA 0.008 4.649 4.640 0.002 0.000 0.203 355 D C 1.937 178.252 176.300 0.024 0.000 0.969 355 D CA 1.229 55.245 54.000 0.025 0.000 0.842 355 D CB 0.178 40.982 40.800 0.008 0.000 0.957 355 D HN 0.428 nan 8.370 nan 0.000 0.484 356 I N 0.173 120.753 120.570 0.017 0.000 3.136 356 I HA -0.027 4.144 4.170 0.002 0.000 0.262 356 I C 1.710 177.853 176.117 0.044 0.000 1.132 356 I CA 0.166 61.483 61.300 0.028 0.000 1.450 356 I CB 0.174 38.186 38.000 0.020 0.000 1.315 356 I HN -0.259 nan 8.210 nan 0.000 0.460 357 E N 1.183 121.400 120.200 0.028 0.000 2.418 357 E HA -0.084 4.267 4.350 0.002 0.000 0.197 357 E C 0.150 176.771 176.600 0.034 0.000 1.026 357 E CA 0.291 56.713 56.400 0.038 0.000 0.862 357 E CB -0.006 29.628 29.700 -0.111 0.000 0.799 357 E HN 0.167 nan 8.360 nan 0.000 0.518 358 K N -0.192 120.225 120.400 0.028 0.000 3.129 358 K HA -0.180 4.141 4.320 0.002 0.000 0.273 358 K C -0.159 176.454 176.600 0.023 0.000 1.123 358 K CA 0.410 56.719 56.287 0.037 0.000 0.800 358 K CB -2.457 30.072 32.500 0.048 0.000 1.238 358 K HN 0.236 nan 8.250 nan 0.000 0.492 359 L N 1.792 123.005 121.223 -0.016 0.000 2.395 359 L HA 0.280 4.621 4.340 0.002 0.000 0.269 359 L C -1.313 175.565 176.870 0.013 0.000 1.133 359 L CA -1.870 52.942 54.840 -0.047 0.000 0.812 359 L CB 0.334 42.275 42.059 -0.197 0.000 1.125 359 L HN -0.106 nan 8.230 nan 0.000 0.452 360 P HA -0.121 nan 4.420 nan 0.000 0.271 360 P C 0.530 177.917 177.300 0.145 0.000 1.220 360 P CA -0.224 62.934 63.100 0.097 0.000 0.768 360 P CB 0.640 32.387 31.700 0.079 0.000 0.848 361 W N 4.786 126.097 121.300 0.019 0.000 2.274 361 W HA -0.299 4.363 4.660 0.002 0.000 0.314 361 W C 1.599 178.171 176.519 0.088 0.000 1.254 361 W CA 3.051 60.421 57.345 0.042 0.000 1.265 361 W CB -1.192 28.271 29.460 0.005 0.000 1.141 361 W HN 0.482 nan 8.180 nan 0.000 0.505 362 S N 0.457 116.359 115.700 0.336 0.000 2.368 362 S HA -0.247 4.225 4.470 0.002 0.000 0.224 362 S C 1.826 176.502 174.600 0.127 0.000 1.029 362 S CA 1.600 59.965 58.200 0.274 0.000 0.988 362 S CB -0.664 62.682 63.200 0.243 0.000 0.838 362 S HN 0.198 nan 8.310 nan 0.000 0.462 363 K N 2.825 123.255 120.400 0.050 0.000 1.991 363 K HA 0.093 4.414 4.320 0.002 0.000 0.212 363 K C 2.241 178.765 176.600 -0.127 0.000 1.049 363 K CA 1.858 58.121 56.287 -0.040 0.000 0.932 363 K CB -1.391 31.068 32.500 -0.069 0.000 0.717 363 K HN 0.366 nan 8.250 nan 0.000 0.441 364 A N 0.609 123.325 122.820 -0.172 0.000 1.927 364 A HA -0.228 4.093 4.320 0.002 0.000 0.220 364 A C 2.335 179.894 177.584 -0.041 0.000 1.185 364 A CA 1.840 53.770 52.037 -0.179 0.000 0.639 364 A CB -1.287 17.644 19.000 -0.115 0.000 0.820 364 A HN 0.749 nan 8.150 nan 0.000 0.451 365 W N 0.312 121.409 121.300 -0.338 0.000 2.453 365 W HA -0.075 4.587 4.660 0.002 0.000 0.289 365 W C 2.013 178.475 176.519 -0.095 0.000 1.215 365 W CA 1.316 58.496 57.345 -0.274 0.000 1.297 365 W CB -0.070 29.177 29.460 -0.355 0.000 1.113 365 W HN 0.616 nan 8.180 nan 0.000 0.551 366 E N 0.904 121.078 120.200 -0.044 0.000 2.038 366 E HA -0.266 4.085 4.350 0.002 0.000 0.195 366 E C 2.243 178.742 176.600 -0.167 0.000 1.000 366 E CA 2.017 58.352 56.400 -0.107 0.000 0.803 366 E CB -0.666 29.021 29.700 -0.023 0.000 0.750 366 E HN 0.308 nan 8.360 nan 0.000 0.448 367 L N 0.299 121.444 121.223 -0.130 0.000 2.093 367 L HA -0.141 4.200 4.340 0.002 0.000 0.208 367 L C 2.747 179.608 176.870 -0.015 0.000 1.085 367 L CA 1.376 56.173 54.840 -0.071 0.000 0.755 367 L CB -0.734 41.233 42.059 -0.152 0.000 0.904 367 L HN 0.170 nan 8.230 nan 0.000 0.435 368 T N -0.464 114.064 114.554 -0.042 0.000 2.595 368 T HA -0.263 4.089 4.350 0.002 0.000 0.264 368 T C 1.908 176.525 174.700 -0.139 0.000 1.058 368 T CA 1.624 63.690 62.100 -0.056 0.000 1.166 368 T CB -0.275 68.538 68.868 -0.092 0.000 0.863 368 T HN 0.371 nan 8.240 nan 0.000 0.415 369 Q N 0.530 120.055 119.800 -0.458 0.000 2.133 369 Q HA -0.179 4.162 4.340 0.002 0.000 0.208 369 Q C 2.328 178.304 176.000 -0.041 0.000 0.991 369 Q CA 1.546 57.148 55.803 -0.335 0.000 0.867 369 Q CB -0.195 28.252 28.738 -0.484 0.000 0.911 369 Q HN 0.441 nan 8.270 nan 0.000 0.417 370 K N -0.569 119.787 120.400 -0.074 0.000 2.366 370 K HA -0.016 4.306 4.320 0.002 0.000 0.198 370 K C 1.918 178.540 176.600 0.037 0.000 1.044 370 K CA 1.032 57.291 56.287 -0.046 0.000 0.973 370 K CB 0.254 32.691 32.500 -0.105 0.000 0.767 370 K HN 0.173 nan 8.250 nan 0.000 0.475 371 T N 0.434 114.983 114.554 -0.008 0.000 2.852 371 T HA 0.040 4.391 4.350 0.002 0.000 0.256 371 T C 0.537 175.145 174.700 -0.153 0.000 1.038 371 T CA 0.717 62.736 62.100 -0.136 0.000 1.141 371 T CB -0.043 68.621 68.868 -0.341 0.000 0.869 371 T HN -0.047 nan 8.240 nan 0.000 0.439 372 F N 1.308 121.321 119.950 0.106 0.000 2.389 372 F HA 0.571 5.100 4.527 0.003 0.000 0.337 372 F C 0.523 176.315 175.800 -0.013 0.000 1.112 372 F CA -1.018 57.013 58.000 0.051 0.000 1.192 372 F CB 0.673 39.657 39.000 -0.026 0.000 1.185 372 F HN 0.053 nan 8.300 nan 0.000 0.552 373 A N 2.477 125.449 122.820 0.254 0.000 2.475 373 A HA 0.629 4.950 4.320 0.002 0.000 0.301 373 A C -2.226 175.463 177.584 0.176 0.000 1.059 373 A CA -0.571 51.500 52.037 0.058 0.000 0.710 373 A CB 1.184 20.213 19.000 0.047 0.000 1.288 373 A HN 0.642 nan 8.150 nan 0.000 0.408 374 Y N 1.084 121.338 120.300 -0.077 0.000 2.364 374 Y HA 0.650 5.202 4.550 0.002 0.000 0.340 374 Y C -0.492 175.369 175.900 -0.065 0.000 0.975 374 Y CA -0.748 57.301 58.100 -0.084 0.000 1.089 374 Y CB 1.926 40.284 38.460 -0.170 0.000 1.192 374 Y HN 0.534 nan 8.280 nan 0.000 0.454 375 T N 6.431 120.812 114.554 -0.288 0.000 2.756 375 T HA 0.197 4.548 4.350 0.002 0.000 0.290 375 T C -0.697 173.517 174.700 -0.811 0.000 0.985 375 T CA -0.623 61.213 62.100 -0.440 0.000 0.955 375 T CB -0.000 68.807 68.868 -0.102 0.000 0.930 375 T HN 0.639 nan 8.240 nan 0.000 0.451 376 N N 1.702 119.890 118.700 -0.853 0.000 2.419 376 N HA 0.170 4.912 4.740 0.002 0.000 0.264 376 N C 0.663 176.040 175.510 -0.223 0.000 1.031 376 N CA -0.301 52.445 53.050 -0.507 0.000 0.951 376 N CB 0.479 38.792 38.487 -0.290 0.000 1.101 376 N HN 0.620 nan 8.380 nan 0.000 0.488 377 H N 0.552 119.639 119.070 0.028 0.000 3.241 377 H HA 0.112 4.669 4.556 0.002 0.000 0.260 377 H C -0.002 175.299 175.328 -0.045 0.000 1.084 377 H CA 0.122 56.156 56.048 -0.023 0.000 1.203 377 H CB 0.455 30.193 29.762 -0.040 0.000 1.524 377 H HN 0.579 nan 8.280 nan 0.000 0.521 378 T N -0.656 113.996 114.554 0.163 0.000 2.882 378 T HA 0.404 4.756 4.350 0.002 0.000 0.287 378 T C 1.170 175.909 174.700 0.065 0.000 0.992 378 T CA -0.472 61.686 62.100 0.095 0.000 1.076 378 T CB 2.419 71.356 68.868 0.114 0.000 0.961 378 T HN -0.123 nan 8.240 nan 0.000 0.490 379 V N 1.067 120.966 119.914 -0.025 0.000 3.058 379 V HA 0.236 4.357 4.120 0.002 0.000 0.233 379 V C 0.089 176.152 176.094 -0.051 0.000 1.255 379 V CA 0.013 62.283 62.300 -0.050 0.000 1.267 379 V CB -0.222 31.516 31.823 -0.142 0.000 1.049 379 V HN 0.720 nan 8.190 nan 0.000 0.486 380 L N 0.904 122.093 121.223 -0.058 0.000 2.325 380 L HA 0.469 4.810 4.340 0.002 0.000 0.279 380 L C -1.350 175.527 176.870 0.012 0.000 1.054 380 L CA -1.868 52.969 54.840 -0.005 0.000 0.804 380 L CB -0.563 41.524 42.059 0.047 0.000 1.200 380 L HN -0.079 nan 8.230 nan 0.000 0.436 381 P HA -0.281 nan 4.420 nan 0.000 0.226 381 P C 0.718 178.013 177.300 -0.007 0.000 1.154 381 P CA 1.691 64.791 63.100 -0.000 0.000 0.918 381 P CB 0.191 31.898 31.700 0.012 0.000 0.790 382 E N -0.899 119.322 120.200 0.034 0.000 2.478 382 E HA 0.071 4.423 4.350 0.002 0.000 0.198 382 E C 1.897 178.444 176.600 -0.088 0.000 1.046 382 E CA 1.010 57.404 56.400 -0.011 0.000 0.870 382 E CB -0.849 28.952 29.700 0.167 0.000 0.818 382 E HN 0.314 nan 8.360 nan 0.000 0.527 383 A N 0.829 123.649 122.820 0.000 0.000 2.044 383 A HA 0.106 4.427 4.320 0.002 0.000 0.213 383 A C 0.866 178.440 177.584 -0.016 0.000 1.169 383 A CA -0.284 51.770 52.037 0.029 0.000 0.724 383 A CB 0.058 19.100 19.000 0.071 0.000 0.840 383 A HN 0.194 nan 8.150 nan 0.000 0.463 384 L N 2.127 123.308 121.223 -0.070 0.000 2.667 384 L HA -0.032 4.309 4.340 0.002 0.000 0.278 384 L C 0.003 176.612 176.870 -0.434 0.000 1.217 384 L CA 0.969 55.714 54.840 -0.158 0.000 0.935 384 L CB -0.590 41.388 42.059 -0.136 0.000 1.193 384 L HN 0.435 nan 8.230 nan 0.000 0.493 385 E N 4.789 124.651 120.200 -0.564 0.000 2.180 385 E HA 0.234 4.585 4.350 0.002 0.000 0.283 385 E C -0.610 175.330 176.600 -1.099 0.000 1.061 385 E CA -0.423 55.198 56.400 -1.297 0.000 0.861 385 E CB 0.709 29.921 29.700 -0.813 0.000 1.056 385 E HN 0.371 nan 8.360 nan 0.000 0.407 386 R N 3.038 122.717 120.500 -1.368 0.000 2.476 386 R HA 0.343 4.684 4.340 0.002 0.000 0.305 386 R C -1.431 174.526 176.300 -0.572 0.000 0.965 386 R CA -0.461 55.232 56.100 -0.677 0.000 0.867 386 R CB 1.048 31.143 30.300 -0.342 0.000 1.176 386 R HN 0.414 nan 8.270 nan 0.000 0.447 387 W N 4.439 125.656 121.300 -0.138 0.000 2.433 387 W HA 0.415 5.077 4.660 0.002 0.000 0.315 387 W C -1.971 174.560 176.519 0.020 0.000 1.087 387 W CA -2.374 54.982 57.345 0.018 0.000 1.205 387 W CB 1.406 30.861 29.460 -0.007 0.000 1.288 387 W HN 0.355 nan 8.180 nan 0.000 0.504 388 P HA -0.053 nan 4.420 nan 0.000 0.267 388 P C 0.749 178.147 177.300 0.164 0.000 1.205 388 P CA 0.101 63.323 63.100 0.204 0.000 0.765 388 P CB 0.853 32.669 31.700 0.193 0.000 0.828 389 V N 3.196 123.179 119.914 0.114 0.000 2.332 389 V HA -0.278 3.843 4.120 0.002 0.000 0.248 389 V C 1.736 177.877 176.094 0.079 0.000 1.055 389 V CA 2.166 64.516 62.300 0.083 0.000 1.038 389 V CB -1.023 30.863 31.823 0.105 0.000 0.651 389 V HN 0.625 nan 8.190 nan 0.000 0.450 390 D N 0.018 120.473 120.400 0.091 0.000 2.116 390 D HA -0.217 4.424 4.640 0.002 0.000 0.193 390 D C 2.117 178.466 176.300 0.082 0.000 0.998 390 D CA 1.307 55.358 54.000 0.085 0.000 0.836 390 D CB -0.234 40.616 40.800 0.084 0.000 0.951 390 D HN 0.360 nan 8.370 nan 0.000 0.449 391 L N 1.394 122.671 121.223 0.091 0.000 1.994 391 L HA -0.131 4.210 4.340 0.002 0.000 0.208 391 L C 2.506 179.383 176.870 0.012 0.000 1.071 391 L CA 1.258 56.146 54.840 0.080 0.000 0.745 391 L CB -0.662 41.472 42.059 0.125 0.000 0.892 391 L HN -0.130 nan 8.230 nan 0.000 0.431 392 V N -0.469 119.435 119.914 -0.018 0.000 2.594 392 V HA -0.276 3.845 4.120 0.002 0.000 0.253 392 V C 2.532 178.574 176.094 -0.086 0.000 1.069 392 V CA 1.803 64.038 62.300 -0.108 0.000 1.082 392 V CB -0.698 31.051 31.823 -0.123 0.000 0.680 392 V HN 0.552 nan 8.190 nan 0.000 0.469 393 E N 0.234 120.423 120.200 -0.019 0.000 2.046 393 E HA -0.214 4.137 4.350 0.002 0.000 0.190 393 E C 2.380 179.008 176.600 0.047 0.000 0.982 393 E CA 1.016 57.421 56.400 0.008 0.000 0.800 393 E CB -0.048 29.684 29.700 0.054 0.000 0.756 393 E HN 0.470 nan 8.360 nan 0.000 0.449 394 K N 0.277 120.733 120.400 0.093 0.000 2.097 394 K HA -0.139 4.183 4.320 0.002 0.000 0.205 394 K C 2.132 178.891 176.600 0.265 0.000 1.050 394 K CA 0.711 57.113 56.287 0.192 0.000 0.938 394 K CB 0.016 32.641 32.500 0.209 0.000 0.718 394 K HN 0.141 nan 8.250 nan 0.000 0.442 395 L N 0.369 121.636 121.223 0.072 0.000 2.249 395 L HA 0.135 4.476 4.340 0.002 0.000 0.207 395 L C 0.359 177.171 176.870 -0.096 0.000 1.090 395 L CA 1.208 55.954 54.840 -0.158 0.000 0.802 395 L CB 0.402 42.336 42.059 -0.208 0.000 0.947 395 L HN 0.031 nan 8.230 nan 0.000 0.453 396 L N 0.501 121.648 121.223 -0.127 0.000 2.472 396 L HA 0.288 4.629 4.340 0.002 0.000 0.256 396 L C -1.770 174.912 176.870 -0.312 0.000 1.560 396 L CA -0.843 53.839 54.840 -0.265 0.000 0.805 396 L CB 0.916 42.691 42.059 -0.474 0.000 1.017 396 L HN -0.140 nan 8.230 nan 0.000 0.519 397 P HA -0.213 nan 4.420 nan 0.000 0.216 397 P C 1.463 178.564 177.300 -0.333 0.000 1.150 397 P CA 1.212 64.178 63.100 -0.222 0.000 0.843 397 P CB 0.389 32.012 31.700 -0.129 0.000 0.787 398 R N -0.193 119.918 120.500 -0.649 0.000 2.092 398 R HA -0.137 4.205 4.340 0.002 0.000 0.231 398 R C 2.300 178.289 176.300 -0.519 0.000 1.119 398 R CA 1.683 57.408 56.100 -0.625 0.000 0.970 398 R CB -1.714 28.015 30.300 -0.950 0.000 0.864 398 R HN 0.277 nan 8.270 nan 0.000 0.440 399 H N -0.741 118.031 119.070 -0.496 0.000 2.389 399 H HA -0.051 4.506 4.556 0.002 0.000 0.299 399 H C 1.536 176.699 175.328 -0.275 0.000 1.081 399 H CA 1.451 57.287 56.048 -0.354 0.000 1.345 399 H CB -0.111 29.401 29.762 -0.416 0.000 1.393 399 H HN 0.083 nan 8.280 nan 0.000 0.520 400 L N 1.200 122.310 121.223 -0.189 0.000 1.994 400 L HA -0.154 4.188 4.340 0.002 0.000 0.208 400 L C 1.882 178.620 176.870 -0.219 0.000 1.071 400 L CA 1.787 56.473 54.840 -0.257 0.000 0.745 400 L CB -0.605 41.332 42.059 -0.202 0.000 0.892 400 L HN 0.248 nan 8.230 nan 0.000 0.431 401 E N -0.459 119.699 120.200 -0.071 0.000 2.070 401 E HA -0.263 4.088 4.350 0.002 0.000 0.197 401 E C 2.209 178.832 176.600 0.038 0.000 1.004 401 E CA 1.953 58.389 56.400 0.059 0.000 0.805 401 E CB -0.276 29.447 29.700 0.038 0.000 0.744 401 E HN 0.571 nan 8.360 nan 0.000 0.451 402 I N 0.712 121.276 120.570 -0.011 0.000 2.394 402 I HA -0.240 3.931 4.170 0.002 0.000 0.251 402 I C 2.250 178.422 176.117 0.091 0.000 1.136 402 I CA 0.812 62.168 61.300 0.094 0.000 1.425 402 I CB -0.156 37.871 38.000 0.045 0.000 1.079 402 I HN 0.135 nan 8.210 nan 0.000 0.425 403 I N -0.499 120.049 120.570 -0.035 0.000 2.286 403 I HA -0.272 3.900 4.170 0.002 0.000 0.245 403 I C 2.454 178.555 176.117 -0.027 0.000 1.104 403 I CA 1.284 62.542 61.300 -0.071 0.000 1.397 403 I CB -0.305 37.584 38.000 -0.185 0.000 1.072 403 I HN 0.124 nan 8.210 nan 0.000 0.417 404 Y N 1.078 121.372 120.300 -0.009 0.000 2.145 404 Y HA -0.279 4.272 4.550 0.002 0.000 0.286 404 Y C 2.618 178.479 175.900 -0.064 0.000 1.145 404 Y CA 1.417 59.499 58.100 -0.029 0.000 1.148 404 Y CB -0.786 37.646 38.460 -0.047 0.000 0.981 404 Y HN 0.127 nan 8.280 nan 0.000 0.507 405 E N 0.496 120.738 120.200 0.069 0.000 2.058 405 E HA -0.183 4.168 4.350 0.002 0.000 0.194 405 E C 2.206 178.751 176.600 -0.090 0.000 0.997 405 E CA 1.381 57.694 56.400 -0.144 0.000 0.801 405 E CB -0.641 28.813 29.700 -0.411 0.000 0.746 405 E HN 0.486 nan 8.360 nan 0.000 0.450 406 I N 0.684 121.289 120.570 0.058 0.000 2.151 406 I HA -0.349 3.822 4.170 0.002 0.000 0.243 406 I C 2.260 178.378 176.117 0.001 0.000 1.080 406 I CA 1.482 62.757 61.300 -0.041 0.000 1.339 406 I CB -0.386 37.565 38.000 -0.082 0.000 1.039 406 I HN 0.190 nan 8.210 nan 0.000 0.409 407 N N 0.255 119.000 118.700 0.076 0.000 2.084 407 N HA -0.213 4.528 4.740 0.002 0.000 0.190 407 N C 1.866 177.447 175.510 0.118 0.000 1.030 407 N CA 1.340 54.482 53.050 0.153 0.000 0.849 407 N CB -0.112 38.488 38.487 0.188 0.000 1.012 407 N HN 0.199 nan 8.380 nan 0.000 0.423 408 Q N 0.855 120.680 119.800 0.042 0.000 1.985 408 Q HA -0.151 4.190 4.340 0.002 0.000 0.207 408 Q C 1.757 177.742 176.000 -0.025 0.000 0.996 408 Q CA 1.357 57.148 55.803 -0.021 0.000 0.851 408 Q CB -0.397 28.290 28.738 -0.085 0.000 0.921 408 Q HN 0.363 nan 8.270 nan 0.000 0.418 409 K N -0.159 120.209 120.400 -0.053 0.000 2.173 409 K HA -0.214 4.108 4.320 0.002 0.000 0.207 409 K C 1.983 178.621 176.600 0.063 0.000 1.046 409 K CA 1.317 57.588 56.287 -0.027 0.000 0.929 409 K CB -0.542 31.922 32.500 -0.060 0.000 0.720 409 K HN 0.535 nan 8.250 nan 0.000 0.453 410 H N 0.557 119.624 119.070 -0.006 0.000 2.276 410 H HA 0.055 4.612 4.556 0.002 0.000 0.307 410 H C 2.138 177.476 175.328 0.018 0.000 1.061 410 H CA 0.931 57.001 56.048 0.036 0.000 1.336 410 H CB 0.047 29.850 29.762 0.067 0.000 1.396 410 H HN 0.021 nan 8.280 nan 0.000 0.503 411 L N 0.885 122.000 121.223 -0.180 0.000 2.261 411 L HA -0.171 4.170 4.340 0.002 0.000 0.216 411 L C 2.107 178.900 176.870 -0.129 0.000 1.114 411 L CA 0.829 55.534 54.840 -0.225 0.000 0.777 411 L CB -0.367 41.635 42.059 -0.095 0.000 0.910 411 L HN 0.322 nan 8.230 nan 0.000 0.440 412 D N 0.142 120.498 120.400 -0.072 0.000 2.084 412 D HA -0.174 4.467 4.640 0.002 0.000 0.194 412 D C 2.295 178.575 176.300 -0.033 0.000 0.990 412 D CA 1.092 55.065 54.000 -0.044 0.000 0.826 412 D CB -0.091 40.691 40.800 -0.031 0.000 0.971 412 D HN 0.107 nan 8.370 nan 0.000 0.453 413 R N -0.214 120.273 120.500 -0.021 0.000 2.127 413 R HA -0.116 4.226 4.340 0.002 0.000 0.238 413 R C 2.149 178.452 176.300 0.005 0.000 1.134 413 R CA 0.644 56.751 56.100 0.011 0.000 0.975 413 R CB -0.183 30.153 30.300 0.060 0.000 0.865 413 R HN 0.158 nan 8.270 nan 0.000 0.447 414 I N -0.483 120.048 120.570 -0.065 0.000 2.193 414 I HA -0.225 3.946 4.170 0.002 0.000 0.240 414 I C 2.219 178.375 176.117 0.065 0.000 1.084 414 I CA 0.899 62.179 61.300 -0.034 0.000 1.365 414 I CB -0.370 37.494 38.000 -0.228 0.000 1.064 414 I HN -0.108 nan 8.210 nan 0.000 0.410 415 V N 1.003 120.919 119.914 0.003 0.000 2.277 415 V HA -0.414 3.707 4.120 0.002 0.000 0.253 415 V C 2.663 178.774 176.094 0.028 0.000 1.067 415 V CA 2.232 64.544 62.300 0.020 0.000 1.047 415 V CB -1.328 30.487 31.823 -0.013 0.000 0.649 415 V HN 0.547 nan 8.190 nan 0.000 0.447 416 A N -0.882 121.946 122.820 0.014 0.000 1.933 416 A HA -0.111 4.210 4.320 0.002 0.000 0.218 416 A C 2.058 179.623 177.584 -0.032 0.000 1.175 416 A CA 1.775 53.809 52.037 -0.005 0.000 0.628 416 A CB -0.391 18.608 19.000 -0.002 0.000 0.814 416 A HN 0.565 nan 8.150 nan 0.000 0.444 417 L N -2.920 118.298 121.223 -0.009 0.000 2.607 417 L HA 0.277 4.619 4.340 0.002 0.000 0.228 417 L C -0.265 176.305 176.870 -0.500 0.000 1.123 417 L CA 0.165 54.895 54.840 -0.184 0.000 0.890 417 L CB 0.272 42.292 42.059 -0.065 0.000 1.103 417 L HN 0.333 nan 8.230 nan 0.000 0.468 418 F N -1.300 118.624 119.950 -0.044 0.000 2.632 418 F HA 0.249 4.777 4.527 0.002 0.000 0.378 418 F C -2.019 173.756 175.800 -0.042 0.000 1.478 418 F CA -0.907 57.067 58.000 -0.044 0.000 1.089 418 F CB 0.552 39.517 39.000 -0.057 0.000 1.917 418 F HN -0.171 nan 8.300 nan 0.000 0.538 419 P HA -0.096 nan 4.420 nan 0.000 0.219 419 P C 1.137 178.460 177.300 0.039 0.000 1.150 419 P CA 1.182 64.303 63.100 0.036 0.000 0.814 419 P CB 0.294 31.994 31.700 0.000 0.000 0.787 420 K N -0.706 119.721 120.400 0.046 0.000 2.487 420 K HA 0.029 4.350 4.320 0.002 0.000 0.192 420 K C 0.382 177.014 176.600 0.053 0.000 1.027 420 K CA 0.392 56.702 56.287 0.039 0.000 1.054 420 K CB -0.610 31.907 32.500 0.030 0.000 0.824 420 K HN 0.027 nan 8.250 nan 0.000 0.510 421 D N 0.564 121.013 120.400 0.082 0.000 2.499 421 D HA 0.020 4.662 4.640 0.002 0.000 0.225 421 D C 0.496 176.802 176.300 0.009 0.000 1.124 421 D CA -0.115 53.919 54.000 0.057 0.000 0.938 421 D CB 0.870 41.726 40.800 0.093 0.000 1.014 421 D HN -0.178 nan 8.370 nan 0.000 0.517 422 V N 3.004 122.920 119.914 0.002 0.000 2.719 422 V HA -0.133 3.988 4.120 0.002 0.000 0.252 422 V C 1.524 177.606 176.094 -0.019 0.000 1.065 422 V CA 1.618 63.913 62.300 -0.008 0.000 1.086 422 V CB 0.215 32.037 31.823 -0.002 0.000 0.700 422 V HN 0.358 nan 8.190 nan 0.000 0.467 423 D N -0.319 120.066 120.400 -0.024 0.000 2.213 423 D HA -0.126 4.516 4.640 0.002 0.000 0.205 423 D C 2.266 178.536 176.300 -0.050 0.000 0.961 423 D CA 0.818 54.803 54.000 -0.025 0.000 0.853 423 D CB -0.113 40.676 40.800 -0.017 0.000 0.967 423 D HN 0.324 nan 8.370 nan 0.000 0.496 424 R N -0.221 120.220 120.500 -0.098 0.000 2.127 424 R HA -0.084 4.257 4.340 0.002 0.000 0.238 424 R C 2.102 178.309 176.300 -0.156 0.000 1.134 424 R CA 0.873 56.868 56.100 -0.175 0.000 0.975 424 R CB -0.209 29.901 30.300 -0.318 0.000 0.865 424 R HN 0.235 nan 8.270 nan 0.000 0.447 425 L N 0.309 121.468 121.223 -0.106 0.000 1.937 425 L HA -0.231 4.111 4.340 0.002 0.000 0.213 425 L C 2.658 179.510 176.870 -0.029 0.000 1.077 425 L CA 2.085 56.875 54.840 -0.083 0.000 0.758 425 L CB -0.620 41.407 42.059 -0.054 0.000 0.888 425 L HN 0.297 nan 8.230 nan 0.000 0.433 426 R N 0.160 120.661 120.500 0.002 0.000 2.159 426 R HA -0.220 4.121 4.340 0.002 0.000 0.237 426 R C 2.187 178.537 176.300 0.083 0.000 1.131 426 R CA 1.634 57.760 56.100 0.044 0.000 0.982 426 R CB -0.500 29.823 30.300 0.037 0.000 0.868 426 R HN 0.239 nan 8.270 nan 0.000 0.453 427 R N 0.590 121.124 120.500 0.057 0.000 2.066 427 R HA 0.070 4.411 4.340 0.002 0.000 0.232 427 R C 1.782 178.200 176.300 0.196 0.000 1.131 427 R CA 1.849 58.014 56.100 0.108 0.000 0.955 427 R CB -0.008 30.315 30.300 0.039 0.000 0.851 427 R HN 0.311 nan 8.270 nan 0.000 0.432 428 M N 0.158 119.782 119.600 0.041 0.000 2.495 428 M HA 0.094 4.576 4.480 0.002 0.000 0.237 428 M C 0.615 177.052 176.300 0.229 0.000 1.131 428 M CA -0.156 55.123 55.300 -0.035 0.000 1.032 428 M CB 0.734 33.065 32.600 -0.447 0.000 1.513 428 M HN -0.003 nan 8.290 nan 0.000 0.488 429 S N 0.916 116.768 115.700 0.254 0.000 2.573 429 S HA 0.145 4.617 4.470 0.002 0.000 0.277 429 S C 1.137 176.000 174.600 0.439 0.000 1.346 429 S CA -0.370 58.004 58.200 0.290 0.000 1.034 429 S CB 0.717 64.028 63.200 0.183 0.000 0.879 429 S HN 0.416 nan 8.310 nan 0.000 0.528 430 L N 2.923 124.351 121.223 0.342 0.000 2.240 430 L HA 0.146 4.488 4.340 0.002 0.000 0.211 430 L C 0.308 177.276 176.870 0.163 0.000 1.106 430 L CA 0.339 55.337 54.840 0.263 0.000 0.793 430 L CB -0.333 41.821 42.059 0.157 0.000 0.927 430 L HN 0.536 nan 8.230 nan 0.000 0.446 431 I N 1.161 121.834 120.570 0.171 0.000 2.312 431 I HA 0.104 4.276 4.170 0.002 0.000 0.291 431 I C 0.417 176.603 176.117 0.115 0.000 1.031 431 I CA -0.162 61.220 61.300 0.136 0.000 1.293 431 I CB 0.811 38.922 38.000 0.186 0.000 1.403 431 I HN 0.139 nan 8.210 nan 0.000 0.484 432 E N 5.291 125.535 120.200 0.073 0.000 1.858 432 E HA 0.018 4.369 4.350 0.002 0.000 0.267 432 E C 0.531 177.167 176.600 0.060 0.000 1.215 432 E CA 0.025 56.458 56.400 0.056 0.000 0.952 432 E CB 0.505 30.215 29.700 0.018 0.000 1.058 432 E HN 0.453 nan 8.360 nan 0.000 0.407 433 E N 2.079 122.319 120.200 0.066 0.000 2.338 433 E HA -0.121 4.231 4.350 0.002 0.000 0.197 433 E C 0.510 177.138 176.600 0.047 0.000 1.007 433 E CA 0.393 56.829 56.400 0.061 0.000 0.849 433 E CB 0.211 29.944 29.700 0.054 0.000 0.774 433 E HN 0.442 nan 8.360 nan 0.000 0.506 434 E N 0.158 120.382 120.200 0.040 0.000 2.344 434 E HA 0.096 4.448 4.350 0.002 0.000 0.270 434 E C 1.039 177.659 176.600 0.034 0.000 1.021 434 E CA 0.583 57.003 56.400 0.033 0.000 0.887 434 E CB 0.790 30.508 29.700 0.029 0.000 0.997 434 E HN 0.161 nan 8.360 nan 0.000 0.429 435 G N 3.929 112.748 108.800 0.031 0.000 2.793 435 G HA2 -0.523 3.439 3.960 0.002 0.000 0.334 435 G HA3 -0.523 3.439 3.960 0.002 0.000 0.334 435 G C 1.155 176.078 174.900 0.038 0.000 1.186 435 G CA 1.983 47.102 45.100 0.032 0.000 0.960 435 G HN 0.899 nan 8.290 nan 0.000 0.562 436 S N 0.470 116.195 115.700 0.040 0.000 2.368 436 S HA -0.120 4.351 4.470 0.002 0.000 0.226 436 S C 0.938 175.574 174.600 0.059 0.000 1.044 436 S CA 2.611 60.840 58.200 0.049 0.000 1.062 436 S CB -0.530 62.699 63.200 0.049 0.000 0.931 436 S HN 1.508 nan 8.310 nan 0.000 0.440 437 K N 0.648 121.082 120.400 0.058 0.000 6.165 437 K HA -0.113 4.209 4.320 0.002 0.000 0.850 437 K C -1.092 175.553 176.600 0.076 0.000 2.178 437 K CA 0.606 56.936 56.287 0.071 0.000 1.624 437 K CB -0.754 31.797 32.500 0.084 0.000 2.431 437 K HN 0.677 nan 8.250 nan 0.000 0.245 438 R N 2.305 122.843 120.500 0.063 0.000 2.740 438 R HA 0.595 4.936 4.340 0.002 0.000 0.273 438 R C -0.251 176.069 176.300 0.034 0.000 0.998 438 R CA -1.097 55.037 56.100 0.056 0.000 0.900 438 R CB 1.214 31.532 30.300 0.028 0.000 1.223 438 R HN 0.315 nan 8.270 nan 0.000 0.466 439 I N 1.672 122.266 120.570 0.040 0.000 2.371 439 I HA 0.131 4.303 4.170 0.002 0.000 0.290 439 I C 0.022 176.111 176.117 -0.047 0.000 1.028 439 I CA -0.603 60.704 61.300 0.011 0.000 1.345 439 I CB 0.860 38.871 38.000 0.019 0.000 1.407 439 I HN 0.528 nan 8.210 nan 0.000 0.501 440 N N 7.923 126.574 118.700 -0.082 0.000 2.602 440 N HA 0.127 4.868 4.740 0.002 0.000 0.238 440 N C 0.739 176.152 175.510 -0.162 0.000 1.084 440 N CA -0.404 52.529 53.050 -0.195 0.000 0.952 440 N CB 0.791 39.054 38.487 -0.374 0.000 1.244 440 N HN 0.503 nan 8.380 nan 0.000 0.512 441 M N 1.760 121.265 119.600 -0.158 0.000 2.202 441 M HA -0.107 4.374 4.480 0.002 0.000 0.262 441 M C 1.894 178.050 176.300 -0.241 0.000 1.063 441 M CA 0.903 56.120 55.300 -0.139 0.000 1.097 441 M CB -1.708 30.846 32.600 -0.076 0.000 1.382 441 M HN 0.574 nan 8.290 nan 0.000 0.413 442 A N -0.014 122.667 122.820 -0.231 0.000 1.865 442 A HA -0.208 4.113 4.320 0.002 0.000 0.217 442 A C 2.050 179.417 177.584 -0.361 0.000 1.191 442 A CA 1.837 53.704 52.037 -0.283 0.000 0.623 442 A CB -1.306 17.701 19.000 0.013 0.000 0.826 442 A HN 0.603 nan 8.150 nan 0.000 0.444 443 H N -1.520 117.330 119.070 -0.366 0.000 2.352 443 H HA -0.160 4.397 4.556 0.002 0.000 0.299 443 H C 2.122 177.257 175.328 -0.323 0.000 1.097 443 H CA 1.271 57.083 56.048 -0.393 0.000 1.311 443 H CB -0.091 29.625 29.762 -0.077 0.000 1.377 443 H HN 0.430 nan 8.280 nan 0.000 0.504 444 L N 0.752 121.908 121.223 -0.111 0.000 2.012 444 L HA -0.179 4.162 4.340 0.002 0.000 0.210 444 L C 2.352 179.077 176.870 -0.241 0.000 1.073 444 L CA 1.516 56.278 54.840 -0.131 0.000 0.748 444 L CB -0.873 41.121 42.059 -0.108 0.000 0.891 444 L HN 0.311 nan 8.230 nan 0.000 0.431 445 C N -0.308 118.723 119.300 -0.447 0.000 2.429 445 C HA -0.122 4.339 4.460 0.002 0.000 0.277 445 C C 2.717 177.426 174.990 -0.470 0.000 1.262 445 C CA 0.871 59.512 59.018 -0.627 0.000 1.733 445 C CB -0.992 25.904 27.740 -1.405 0.000 2.010 445 C HN 0.614 nan 8.230 nan 0.000 0.483 446 I N 1.621 121.892 120.570 -0.498 0.000 2.163 446 I HA -0.191 3.981 4.170 0.002 0.000 0.243 446 I C 2.606 178.596 176.117 -0.210 0.000 1.085 446 I CA 2.085 63.138 61.300 -0.411 0.000 1.347 446 I CB -0.666 36.898 38.000 -0.727 0.000 1.044 446 I HN 0.370 nan 8.210 nan 0.000 0.408 447 V N -0.532 119.296 119.914 -0.144 0.000 2.591 447 V HA 0.071 4.192 4.120 0.002 0.000 0.249 447 V C 2.096 178.267 176.094 0.128 0.000 1.053 447 V CA 1.705 64.031 62.300 0.044 0.000 1.068 447 V CB -1.094 30.724 31.823 -0.010 0.000 0.689 447 V HN 0.378 nan 8.190 nan 0.000 0.462 448 G N 0.118 108.941 108.800 0.038 0.000 2.813 448 G HA2 0.169 4.131 3.960 0.002 0.000 0.209 448 G HA3 0.169 4.131 3.960 0.002 0.000 0.209 448 G C 0.601 175.401 174.900 -0.168 0.000 1.150 448 G CA 0.655 45.676 45.100 -0.133 0.000 0.785 448 G HN 0.588 nan 8.290 nan 0.000 0.535 449 S N -1.025 114.610 115.700 -0.108 0.000 2.578 449 S HA 0.398 4.869 4.470 0.002 0.000 0.301 449 S C 0.609 175.175 174.600 -0.057 0.000 1.091 449 S CA -0.523 57.646 58.200 -0.052 0.000 1.032 449 S CB 1.556 64.719 63.200 -0.062 0.000 1.064 449 S HN 0.583 nan 8.310 nan 0.000 0.508 450 H N -0.143 118.909 119.070 -0.030 0.000 2.525 450 H HA 0.624 5.182 4.556 0.002 0.000 0.275 450 H C 0.240 175.539 175.328 -0.048 0.000 0.984 450 H CA 0.557 56.582 56.048 -0.038 0.000 1.264 450 H CB 0.195 29.942 29.762 -0.024 0.000 1.432 450 H HN 0.541 nan 8.280 nan 0.000 0.549 451 A N 1.103 123.619 122.820 -0.506 0.000 2.374 451 A HA 0.625 4.947 4.320 0.002 0.000 0.305 451 A C -1.339 176.050 177.584 -0.325 0.000 1.053 451 A CA -0.705 51.116 52.037 -0.361 0.000 0.726 451 A CB 1.761 20.533 19.000 -0.380 0.000 1.229 451 A HN 0.155 nan 8.150 nan 0.000 0.431 452 V N 4.140 123.814 119.914 -0.400 0.000 2.495 452 V HA 0.552 4.673 4.120 0.002 0.000 0.298 452 V C -0.474 175.404 176.094 -0.360 0.000 1.031 452 V CA -0.756 61.275 62.300 -0.448 0.000 0.871 452 V CB 1.704 33.054 31.823 -0.789 0.000 0.988 452 V HN 1.006 nan 8.190 nan 0.000 0.432 453 N N 3.032 121.540 118.700 -0.321 0.000 2.235 453 N HA 0.558 5.299 4.740 0.002 0.000 0.293 453 N C -0.353 175.038 175.510 -0.198 0.000 1.083 453 N CA -0.346 52.566 53.050 -0.230 0.000 0.801 453 N CB 2.819 41.151 38.487 -0.258 0.000 1.559 453 N HN 0.658 nan 8.380 nan 0.000 0.472 454 G N -0.482 108.253 108.800 -0.108 0.000 2.535 454 G HA2 0.426 4.388 3.960 0.002 0.000 0.303 454 G HA3 0.426 4.388 3.960 0.002 0.000 0.303 454 G C 0.842 175.821 174.900 0.133 0.000 1.237 454 G CA -0.421 44.696 45.100 0.028 0.000 0.986 454 G HN 0.633 nan 8.290 nan 0.000 0.494 455 V N -3.860 116.241 119.914 0.311 0.000 3.528 455 V HA 0.689 4.811 4.120 0.002 0.000 0.294 455 V C 0.644 176.830 176.094 0.153 0.000 1.404 455 V CA 0.520 62.919 62.300 0.165 0.000 1.065 455 V CB -0.692 31.196 31.823 0.107 0.000 0.904 455 V HN 1.254 nan 8.190 nan 0.000 0.435 456 A N -0.493 122.432 122.820 0.175 0.000 2.612 456 A HA 0.656 4.978 4.320 0.002 0.000 0.293 456 A C 0.404 178.060 177.584 0.119 0.000 1.075 456 A CA -0.226 51.892 52.037 0.135 0.000 0.680 456 A CB 1.414 20.478 19.000 0.106 0.000 1.279 456 A HN -0.011 nan 8.150 nan 0.000 0.411 457 K N 0.300 120.750 120.400 0.085 0.000 2.000 457 K HA -0.183 4.138 4.320 0.002 0.000 0.218 457 K C 1.770 178.399 176.600 0.047 0.000 1.053 457 K CA 2.251 58.569 56.287 0.052 0.000 0.946 457 K CB -0.303 32.222 32.500 0.041 0.000 0.723 457 K HN 0.674 nan 8.250 nan 0.000 0.446 458 I N 0.480 121.083 120.570 0.056 0.000 2.264 458 I HA -0.356 3.816 4.170 0.002 0.000 0.248 458 I C 2.396 178.549 176.117 0.060 0.000 1.111 458 I CA 1.884 63.211 61.300 0.044 0.000 1.382 458 I CB -0.102 37.921 38.000 0.038 0.000 1.060 458 I HN 0.335 nan 8.210 nan 0.000 0.418 459 H N 0.254 119.317 119.070 -0.012 0.000 2.343 459 H HA -0.070 4.487 4.556 0.002 0.000 0.303 459 H C 2.270 177.589 175.328 -0.016 0.000 1.068 459 H CA 2.039 58.074 56.048 -0.022 0.000 1.359 459 H CB -0.329 29.422 29.762 -0.019 0.000 1.402 459 H HN 0.265 nan 8.280 nan 0.000 0.515 460 S N 0.021 115.615 115.700 -0.177 0.000 2.383 460 S HA -0.221 4.250 4.470 0.002 0.000 0.229 460 S C 1.828 176.355 174.600 -0.123 0.000 1.030 460 S CA 1.509 59.589 58.200 -0.200 0.000 1.002 460 S CB -0.459 62.708 63.200 -0.056 0.000 0.829 460 S HN 0.674 nan 8.310 nan 0.000 0.467 461 D N 1.026 121.383 120.400 -0.071 0.000 2.104 461 D HA -0.135 4.507 4.640 0.002 0.000 0.194 461 D C 1.683 177.936 176.300 -0.077 0.000 0.994 461 D CA 1.165 55.134 54.000 -0.051 0.000 0.830 461 D CB -0.184 40.601 40.800 -0.026 0.000 0.959 461 D HN 0.241 nan 8.370 nan 0.000 0.452 462 I N -0.084 120.429 120.570 -0.096 0.000 2.202 462 I HA -0.189 3.982 4.170 0.002 0.000 0.242 462 I C 2.505 178.523 176.117 -0.165 0.000 1.091 462 I CA 0.564 61.799 61.300 -0.108 0.000 1.368 462 I CB -0.570 37.380 38.000 -0.084 0.000 1.058 462 I HN 0.023 nan 8.210 nan 0.000 0.410 463 V N 0.778 120.552 119.914 -0.232 0.000 2.278 463 V HA -0.392 3.729 4.120 0.002 0.000 0.251 463 V C 2.572 178.614 176.094 -0.086 0.000 1.062 463 V CA 2.392 64.555 62.300 -0.228 0.000 1.038 463 V CB -0.732 30.945 31.823 -0.243 0.000 0.646 463 V HN 0.457 nan 8.190 nan 0.000 0.447 464 K N -0.177 120.191 120.400 -0.054 0.000 2.021 464 K HA -0.142 4.179 4.320 0.002 0.000 0.205 464 K C 2.270 178.769 176.600 -0.168 0.000 1.047 464 K CA 1.788 57.999 56.287 -0.127 0.000 0.943 464 K CB -0.252 32.220 32.500 -0.047 0.000 0.725 464 K HN 0.659 nan 8.250 nan 0.000 0.439 465 T N -1.466 113.022 114.554 -0.110 0.000 3.014 465 T HA 0.016 4.368 4.350 0.002 0.000 0.263 465 T C 1.768 176.417 174.700 -0.085 0.000 1.078 465 T CA 0.845 62.892 62.100 -0.089 0.000 1.135 465 T CB 0.193 69.024 68.868 -0.061 0.000 0.895 465 T HN 0.152 nan 8.240 nan 0.000 0.480 466 K N 0.369 120.708 120.400 -0.103 0.000 2.409 466 K HA 0.371 4.693 4.320 0.002 0.000 0.237 466 K C 2.048 178.563 176.600 -0.140 0.000 1.083 466 K CA 0.320 56.547 56.287 -0.101 0.000 0.914 466 K CB -0.358 32.086 32.500 -0.094 0.000 1.300 466 K HN -0.032 nan 8.250 nan 0.000 0.454 467 V N 1.082 120.848 119.914 -0.248 0.000 2.370 467 V HA -0.226 3.896 4.120 0.002 0.000 0.252 467 V C 1.243 177.041 176.094 -0.494 0.000 1.068 467 V CA 1.860 63.896 62.300 -0.440 0.000 1.061 467 V CB -0.480 30.954 31.823 -0.649 0.000 0.656 467 V HN 0.328 nan 8.190 nan 0.000 0.455 468 F N -1.410 118.548 119.950 0.013 0.000 2.735 468 F HA 0.284 4.812 4.527 0.002 0.000 0.304 468 F C 1.713 177.481 175.800 -0.052 0.000 1.119 468 F CA -0.311 57.718 58.000 0.048 0.000 1.280 468 F CB 0.067 39.114 39.000 0.079 0.000 0.994 468 F HN -0.095 nan 8.300 nan 0.000 0.520 469 K N 0.954 121.382 120.400 0.047 0.000 2.097 469 K HA -0.288 4.033 4.320 0.002 0.000 0.214 469 K C 1.200 177.800 176.600 -0.001 0.000 1.052 469 K CA 2.419 58.695 56.287 -0.018 0.000 0.932 469 K CB -0.069 32.414 32.500 -0.027 0.000 0.716 469 K HN 0.215 nan 8.250 nan 0.000 0.455 470 D N -0.715 119.718 120.400 0.055 0.000 2.149 470 D HA -0.150 4.492 4.640 0.002 0.000 0.198 470 D C 1.701 177.925 176.300 -0.126 0.000 0.990 470 D CA 1.258 55.206 54.000 -0.086 0.000 0.839 470 D CB -0.197 40.513 40.800 -0.149 0.000 0.948 470 D HN 0.242 nan 8.370 nan 0.000 0.460 471 F N 0.644 120.588 119.950 -0.009 0.000 2.317 471 F HA -0.011 4.518 4.527 0.002 0.000 0.293 471 F C 2.621 178.418 175.800 -0.004 0.000 1.085 471 F CA 0.680 58.711 58.000 0.051 0.000 1.390 471 F CB -0.487 38.608 39.000 0.157 0.000 1.077 471 F HN -0.099 nan 8.300 nan 0.000 0.517 472 S N -0.362 115.245 115.700 -0.154 0.000 2.406 472 S HA -0.166 4.306 4.470 0.002 0.000 0.228 472 S C 1.800 176.346 174.600 -0.089 0.000 1.020 472 S CA 1.070 59.021 58.200 -0.415 0.000 0.965 472 S CB -0.631 62.077 63.200 -0.820 0.000 0.798 472 S HN 0.409 nan 8.310 nan 0.000 0.488 473 E N 0.821 120.990 120.200 -0.052 0.000 2.097 473 E HA -0.125 4.226 4.350 0.002 0.000 0.196 473 E C 1.815 178.452 176.600 0.062 0.000 1.000 473 E CA 1.318 57.722 56.400 0.006 0.000 0.804 473 E CB -0.285 29.416 29.700 0.001 0.000 0.740 473 E HN 0.350 nan 8.360 nan 0.000 0.454 474 L N 0.572 121.845 121.223 0.082 0.000 2.201 474 L HA -0.108 4.233 4.340 0.002 0.000 0.212 474 L C 0.562 177.521 176.870 0.149 0.000 1.105 474 L CA 1.315 56.230 54.840 0.126 0.000 0.775 474 L CB 0.050 42.186 42.059 0.129 0.000 0.913 474 L HN 0.127 nan 8.230 nan 0.000 0.440 475 E N -3.350 116.956 120.200 0.178 0.000 2.934 475 E HA 0.167 4.518 4.350 0.002 0.000 0.343 475 E C -2.439 174.296 176.600 0.224 0.000 1.148 475 E CA -1.193 55.323 56.400 0.194 0.000 0.803 475 E CB 0.438 30.269 29.700 0.219 0.000 1.541 475 E HN -0.012 nan 8.360 nan 0.000 0.380 476 P HA -0.177 nan 4.420 nan 0.000 0.216 476 P C 0.800 178.212 177.300 0.185 0.000 1.153 476 P CA 0.991 64.167 63.100 0.126 0.000 0.858 476 P CB 0.218 31.959 31.700 0.069 0.000 0.789 477 D N -0.750 119.738 120.400 0.147 0.000 2.309 477 D HA -0.160 4.481 4.640 0.002 0.000 0.212 477 D C 1.808 178.186 176.300 0.131 0.000 0.968 477 D CA 0.916 54.988 54.000 0.119 0.000 0.882 477 D CB -0.236 40.616 40.800 0.087 0.000 0.918 477 D HN 0.298 nan 8.370 nan 0.000 0.503 478 K N -0.291 120.222 120.400 0.188 0.000 2.211 478 K HA -0.089 4.232 4.320 0.002 0.000 0.203 478 K C 0.078 176.653 176.600 -0.041 0.000 1.050 478 K CA 0.414 56.750 56.287 0.081 0.000 0.945 478 K CB 0.083 32.625 32.500 0.069 0.000 0.732 478 K HN -0.094 nan 8.250 nan 0.000 0.451 479 F N 2.154 122.108 119.950 0.007 0.000 2.405 479 F HA 0.241 4.769 4.527 0.002 0.000 0.355 479 F C -0.095 175.681 175.800 -0.039 0.000 1.121 479 F CA -0.364 57.629 58.000 -0.012 0.000 1.112 479 F CB 1.366 40.380 39.000 0.025 0.000 1.126 479 F HN 0.066 nan 8.300 nan 0.000 0.481 480 Q N 1.774 121.584 119.800 0.016 0.000 2.544 480 Q HA 0.422 4.764 4.340 0.002 0.000 0.291 480 Q C -1.380 174.575 176.000 -0.074 0.000 1.068 480 Q CA -1.280 54.501 55.803 -0.037 0.000 0.785 480 Q CB 2.526 31.206 28.738 -0.097 0.000 1.481 480 Q HN 0.593 nan 8.270 nan 0.000 0.430 481 N N 0.453 119.106 118.700 -0.078 0.000 2.417 481 N HA 0.263 5.004 4.740 0.002 0.000 0.300 481 N C -1.270 174.158 175.510 -0.137 0.000 1.102 481 N CA -0.433 52.572 53.050 -0.075 0.000 0.886 481 N CB 1.009 39.480 38.487 -0.028 0.000 1.203 481 N HN 0.406 nan 8.380 nan 0.000 0.496 482 K N 2.567 122.892 120.400 -0.125 0.000 2.705 482 K HA 0.169 4.491 4.320 0.002 0.000 0.238 482 K C -0.947 175.685 176.600 0.054 0.000 0.996 482 K CA -0.529 55.675 56.287 -0.140 0.000 1.007 482 K CB 1.500 33.725 32.500 -0.459 0.000 1.206 482 K HN 0.535 nan 8.250 nan 0.000 0.488 483 T N 2.615 117.212 114.554 0.072 0.000 2.940 483 T HA 0.063 4.415 4.350 0.002 0.000 0.309 483 T C 0.752 175.588 174.700 0.226 0.000 1.056 483 T CA 0.130 62.317 62.100 0.146 0.000 1.137 483 T CB 0.269 69.219 68.868 0.137 0.000 0.976 483 T HN 0.292 nan 8.240 nan 0.000 0.547 484 N N 0.794 119.643 118.700 0.249 0.000 2.260 484 N HA 0.466 5.208 4.740 0.002 0.000 0.230 484 N C 0.406 176.104 175.510 0.313 0.000 1.323 484 N CA 0.173 53.396 53.050 0.287 0.000 0.897 484 N CB 0.486 39.079 38.487 0.177 0.000 1.146 484 N HN 0.843 nan 8.380 nan 0.000 0.460 485 G N -1.222 107.765 108.800 0.311 0.000 2.660 485 G HA2 0.641 4.602 3.960 0.002 0.000 0.290 485 G HA3 0.641 4.602 3.960 0.002 0.000 0.290 485 G C -1.284 173.740 174.900 0.206 0.000 1.432 485 G CA -0.654 44.617 45.100 0.286 0.000 0.807 485 G HN 0.574 nan 8.290 nan 0.000 0.485 486 I N -1.992 118.680 120.570 0.170 0.000 2.686 486 I HA 0.692 4.864 4.170 0.002 0.000 0.295 486 I C -0.343 175.909 176.117 0.225 0.000 1.114 486 I CA -0.862 60.516 61.300 0.130 0.000 1.038 486 I CB 2.405 40.359 38.000 -0.075 0.000 1.238 486 I HN 0.503 nan 8.210 nan 0.000 0.420 487 T N 5.666 120.412 114.554 0.321 0.000 2.834 487 T HA 0.308 4.659 4.350 0.002 0.000 0.298 487 T C -1.453 173.382 174.700 0.224 0.000 0.966 487 T CA -1.243 60.991 62.100 0.223 0.000 1.141 487 T CB 0.603 69.551 68.868 0.134 0.000 0.905 487 T HN 0.657 nan 8.240 nan 0.000 0.535 488 P HA 0.132 nan 4.420 nan 0.000 0.249 488 P C 0.930 178.191 177.300 -0.064 0.000 1.229 488 P CA 0.014 63.151 63.100 0.063 0.000 0.788 488 P CB 0.388 32.110 31.700 0.038 0.000 1.072 489 R N 0.820 121.246 120.500 -0.123 0.000 2.072 489 R HA 0.030 4.371 4.340 0.002 0.000 0.221 489 R C 2.611 178.786 176.300 -0.208 0.000 1.166 489 R CA 1.500 57.486 56.100 -0.190 0.000 0.917 489 R CB -1.442 28.762 30.300 -0.159 0.000 0.815 489 R HN -0.003 nan 8.270 nan 0.000 0.444 490 R N -0.666 119.643 120.500 -0.319 0.000 2.117 490 R HA -0.175 4.166 4.340 0.002 0.000 0.243 490 R C 1.148 177.038 176.300 -0.682 0.000 1.143 490 R CA 2.012 57.739 56.100 -0.622 0.000 0.968 490 R CB -0.202 29.522 30.300 -0.960 0.000 0.863 490 R HN 0.343 nan 8.270 nan 0.000 0.444 491 W N -0.944 120.301 121.300 -0.092 0.000 3.220 491 W HA 0.180 4.842 4.660 0.002 0.000 0.328 491 W C 1.049 177.523 176.519 -0.075 0.000 1.205 491 W CA -0.814 56.472 57.345 -0.098 0.000 1.773 491 W CB 0.400 29.801 29.460 -0.097 0.000 1.086 491 W HN 0.180 nan 8.180 nan 0.000 0.622 492 L N -1.517 119.751 121.223 0.076 0.000 3.147 492 L HA 0.305 4.647 4.340 0.002 0.000 0.166 492 L C 1.841 178.713 176.870 0.003 0.000 1.146 492 L CA 0.647 55.524 54.840 0.061 0.000 0.858 492 L CB -1.246 40.879 42.059 0.111 0.000 1.500 492 L HN -0.184 nan 8.230 nan 0.000 0.547 493 L N 0.347 121.554 121.223 -0.027 0.000 1.997 493 L HA -0.294 4.047 4.340 0.002 0.000 0.227 493 L C 2.525 179.357 176.870 -0.064 0.000 1.087 493 L CA 2.811 57.623 54.840 -0.046 0.000 0.797 493 L CB -0.966 41.038 42.059 -0.091 0.000 0.902 493 L HN 0.463 nan 8.230 nan 0.000 0.441 494 L N -0.830 120.321 121.223 -0.120 0.000 2.023 494 L HA -0.193 4.148 4.340 0.002 0.000 0.205 494 L C 2.437 179.224 176.870 -0.138 0.000 1.073 494 L CA 1.633 56.386 54.840 -0.145 0.000 0.745 494 L CB -0.148 41.776 42.059 -0.226 0.000 0.900 494 L HN 0.629 nan 8.230 nan 0.000 0.435 495 C N -0.898 118.307 119.300 -0.159 0.000 2.576 495 C HA 0.258 4.719 4.460 0.002 0.000 0.267 495 C C 0.926 175.876 174.990 -0.066 0.000 1.364 495 C CA -0.275 58.666 59.018 -0.128 0.000 1.723 495 C CB -1.569 26.093 27.740 -0.130 0.000 1.778 495 C HN 0.683 nan 8.230 nan 0.000 0.572 496 N N 0.489 119.161 118.700 -0.046 0.000 2.926 496 N HA 0.187 4.928 4.740 0.002 0.000 0.201 496 N C -2.021 173.484 175.510 -0.010 0.000 1.419 496 N CA -0.937 52.100 53.050 -0.022 0.000 0.838 496 N CB 0.561 39.044 38.487 -0.007 0.000 1.534 496 N HN 0.119 nan 8.380 nan 0.000 0.569 497 P HA 0.027 nan 4.420 nan 0.000 0.221 497 P C 1.471 178.775 177.300 0.006 0.000 1.150 497 P CA 0.843 63.943 63.100 -0.001 0.000 0.800 497 P CB 0.195 31.889 31.700 -0.010 0.000 0.787 498 G N 1.154 109.951 108.800 -0.005 0.000 2.514 498 G HA2 -0.285 3.676 3.960 0.002 0.000 0.217 498 G HA3 -0.285 3.676 3.960 0.002 0.000 0.217 498 G C 1.515 176.409 174.900 -0.009 0.000 1.198 498 G CA 0.979 46.073 45.100 -0.010 0.000 0.780 498 G HN 0.255 nan 8.290 nan 0.000 0.565 499 L N 1.383 122.599 121.223 -0.012 0.000 2.017 499 L HA 0.123 4.464 4.340 0.002 0.000 0.208 499 L C 3.174 180.046 176.870 0.003 0.000 1.073 499 L CA 2.251 57.080 54.840 -0.018 0.000 0.745 499 L CB -0.824 41.224 42.059 -0.017 0.000 0.894 499 L HN 0.274 nan 8.230 nan 0.000 0.432 500 A N -0.889 121.961 122.820 0.049 0.000 1.892 500 A HA -0.312 4.009 4.320 0.002 0.000 0.218 500 A C 2.351 180.017 177.584 0.137 0.000 1.188 500 A CA 2.100 54.222 52.037 0.142 0.000 0.631 500 A CB -0.818 18.258 19.000 0.127 0.000 0.822 500 A HN 0.628 nan 8.150 nan 0.000 0.447 501 E N -0.495 119.748 120.200 0.071 0.000 2.072 501 E HA -0.151 4.201 4.350 0.002 0.000 0.191 501 E C 2.020 178.646 176.600 0.043 0.000 0.985 501 E CA 0.896 57.331 56.400 0.058 0.000 0.801 501 E CB -0.189 29.529 29.700 0.030 0.000 0.750 501 E HN 0.585 nan 8.360 nan 0.000 0.452 502 L N 0.871 122.107 121.223 0.021 0.000 1.955 502 L HA -0.237 4.104 4.340 0.002 0.000 0.213 502 L C 2.518 179.397 176.870 0.015 0.000 1.072 502 L CA 1.611 56.467 54.840 0.027 0.000 0.755 502 L CB -0.417 41.646 42.059 0.006 0.000 0.888 502 L HN 0.290 nan 8.230 nan 0.000 0.432 503 I N 0.145 120.685 120.570 -0.051 0.000 2.185 503 I HA -0.354 3.817 4.170 0.002 0.000 0.246 503 I C 2.766 178.775 176.117 -0.178 0.000 1.088 503 I CA 1.466 62.634 61.300 -0.220 0.000 1.347 503 I CB -0.502 37.196 38.000 -0.502 0.000 1.041 503 I HN 0.359 nan 8.210 nan 0.000 0.415 504 A N 0.153 122.983 122.820 0.016 0.000 1.933 504 A HA -0.219 4.102 4.320 0.002 0.000 0.218 504 A C 2.154 179.773 177.584 0.059 0.000 1.175 504 A CA 1.679 53.811 52.037 0.159 0.000 0.628 504 A CB -0.564 18.568 19.000 0.219 0.000 0.814 504 A HN 0.483 nan 8.150 nan 0.000 0.444 505 E N -0.765 119.448 120.200 0.022 0.000 2.418 505 E HA -0.102 4.249 4.350 0.002 0.000 0.197 505 E C 1.514 178.095 176.600 -0.032 0.000 1.026 505 E CA 0.660 57.066 56.400 0.010 0.000 0.862 505 E CB 0.133 29.845 29.700 0.021 0.000 0.799 505 E HN 0.296 nan 8.360 nan 0.000 0.518 506 K N -0.015 120.313 120.400 -0.120 0.000 2.214 506 K HA 0.120 4.442 4.320 0.002 0.000 0.201 506 K C 1.874 178.401 176.600 -0.122 0.000 1.049 506 K CA 0.683 56.818 56.287 -0.252 0.000 0.978 506 K CB 0.324 32.354 32.500 -0.783 0.000 0.842 506 K HN 0.248 nan 8.250 nan 0.000 0.474 507 I N -3.633 116.877 120.570 -0.101 0.000 4.225 507 I HA 0.417 4.588 4.170 0.002 0.000 0.327 507 I C 0.476 176.631 176.117 0.062 0.000 1.422 507 I CA -0.220 61.075 61.300 -0.008 0.000 1.150 507 I CB 0.613 38.584 38.000 -0.049 0.000 1.192 507 I HN 0.086 nan 8.210 nan 0.000 0.440 508 G N 3.223 112.067 108.800 0.074 0.000 2.855 508 G HA2 -0.280 3.681 3.960 0.002 0.000 0.352 508 G HA3 -0.280 3.681 3.960 0.002 0.000 0.352 508 G C 0.213 175.230 174.900 0.195 0.000 1.415 508 G CA 0.295 45.459 45.100 0.107 0.000 0.871 508 G HN 0.745 nan 8.290 nan 0.000 0.543 509 E N -0.635 119.640 120.200 0.125 0.000 2.479 509 E HA 0.142 4.493 4.350 0.002 0.000 0.193 509 E C 1.086 177.643 176.600 -0.071 0.000 1.049 509 E CA 0.515 56.943 56.400 0.047 0.000 0.870 509 E CB 0.178 29.880 29.700 0.004 0.000 0.944 509 E HN 0.392 nan 8.360 nan 0.000 0.492 510 D N 1.739 122.160 120.400 0.034 0.000 2.203 510 D HA -0.252 4.389 4.640 0.002 0.000 0.199 510 D C 1.657 177.947 176.300 -0.018 0.000 0.997 510 D CA 1.505 55.515 54.000 0.016 0.000 0.863 510 D CB -0.444 40.390 40.800 0.057 0.000 0.928 510 D HN 0.603 nan 8.370 nan 0.000 0.458 511 Y N 0.021 120.313 120.300 -0.014 0.000 2.315 511 Y HA -0.133 4.419 4.550 0.002 0.000 0.288 511 Y C 2.044 177.910 175.900 -0.057 0.000 1.154 511 Y CA 0.463 58.545 58.100 -0.030 0.000 1.229 511 Y CB -0.929 37.511 38.460 -0.033 0.000 0.980 511 Y HN -0.132 nan 8.280 nan 0.000 0.540 512 V N 1.150 120.601 119.914 -0.772 0.000 2.407 512 V HA -0.246 3.876 4.120 0.002 0.000 0.248 512 V C 2.042 177.916 176.094 -0.368 0.000 1.055 512 V CA 2.296 64.177 62.300 -0.698 0.000 1.049 512 V CB -0.550 30.732 31.823 -0.902 0.000 0.662 512 V HN 0.444 nan 8.190 nan 0.000 0.455 513 K N -0.550 119.724 120.400 -0.211 0.000 2.353 513 K HA 0.124 4.445 4.320 0.002 0.000 0.195 513 K C 0.112 176.692 176.600 -0.034 0.000 1.031 513 K CA 0.259 56.498 56.287 -0.079 0.000 1.079 513 K CB 0.462 32.967 32.500 0.008 0.000 0.857 513 K HN 0.351 nan 8.250 nan 0.000 0.535 514 D N 0.871 121.255 120.400 -0.026 0.000 2.381 514 D HA 0.059 4.700 4.640 0.002 0.000 0.245 514 D C 0.146 176.474 176.300 0.045 0.000 1.297 514 D CA -0.341 53.666 54.000 0.011 0.000 0.931 514 D CB 0.836 41.647 40.800 0.019 0.000 1.334 514 D HN -0.181 nan 8.370 nan 0.000 0.535 515 L N 2.461 123.712 121.223 0.047 0.000 2.456 515 L HA -0.043 4.298 4.340 0.002 0.000 0.224 515 L C 2.139 179.046 176.870 0.063 0.000 1.148 515 L CA 1.546 56.440 54.840 0.089 0.000 0.825 515 L CB -0.504 41.603 42.059 0.081 0.000 0.937 515 L HN 0.470 nan 8.230 nan 0.000 0.450 516 S N -2.302 113.418 115.700 0.034 0.000 2.474 516 S HA -0.161 4.310 4.470 0.002 0.000 0.235 516 S C 1.687 176.308 174.600 0.036 0.000 0.997 516 S CA 0.412 58.623 58.200 0.019 0.000 0.949 516 S CB -0.383 62.819 63.200 0.003 0.000 0.766 516 S HN 0.533 nan 8.310 nan 0.000 0.517 517 Q N 0.759 120.593 119.800 0.058 0.000 2.437 517 Q HA 0.144 4.486 4.340 0.002 0.000 0.210 517 Q C 1.863 177.886 176.000 0.038 0.000 0.972 517 Q CA 0.581 56.423 55.803 0.065 0.000 0.903 517 Q CB -0.411 28.388 28.738 0.102 0.000 0.967 517 Q HN 0.631 nan 8.270 nan 0.000 0.486 518 L N 0.811 122.044 121.223 0.016 0.000 2.450 518 L HA -0.138 4.204 4.340 0.002 0.000 0.224 518 L C 2.518 179.324 176.870 -0.106 0.000 1.149 518 L CA 1.351 56.150 54.840 -0.070 0.000 0.816 518 L CB -0.907 41.107 42.059 -0.075 0.000 0.932 518 L HN 0.316 nan 8.230 nan 0.000 0.449 519 T N -2.953 111.581 114.554 -0.034 0.000 2.833 519 T HA -0.224 4.127 4.350 0.002 0.000 0.269 519 T C 1.730 176.456 174.700 0.043 0.000 1.054 519 T CA 0.952 63.056 62.100 0.008 0.000 1.135 519 T CB -0.250 68.749 68.868 0.218 0.000 0.869 519 T HN 0.251 nan 8.240 nan 0.000 0.466 520 K N 0.946 121.377 120.400 0.051 0.000 2.366 520 K HA -0.012 4.309 4.320 0.002 0.000 0.202 520 K C 1.985 178.684 176.600 0.165 0.000 1.045 520 K CA 1.140 57.484 56.287 0.095 0.000 0.934 520 K CB -0.538 32.014 32.500 0.086 0.000 0.746 520 K HN 0.425 nan 8.250 nan 0.000 0.470 521 L N -0.582 120.653 121.223 0.021 0.000 2.313 521 L HA -0.113 4.229 4.340 0.002 0.000 0.214 521 L C 1.718 178.680 176.870 0.154 0.000 1.119 521 L CA 0.845 55.705 54.840 0.034 0.000 0.809 521 L CB -0.415 41.529 42.059 -0.190 0.000 0.933 521 L HN 0.295 nan 8.230 nan 0.000 0.449 522 H N -0.664 118.482 119.070 0.125 0.000 2.422 522 H HA -0.147 4.410 4.556 0.002 0.000 0.298 522 H C 2.270 177.624 175.328 0.044 0.000 1.098 522 H CA 1.463 57.557 56.048 0.076 0.000 1.315 522 H CB 0.110 29.891 29.762 0.031 0.000 1.382 522 H HN 0.325 nan 8.280 nan 0.000 0.523 523 S N -0.099 115.666 115.700 0.108 0.000 2.851 523 S HA -0.019 4.452 4.470 0.002 0.000 0.227 523 S C 0.364 174.669 174.600 -0.492 0.000 0.958 523 S CA 0.109 58.202 58.200 -0.179 0.000 0.990 523 S CB -0.490 62.539 63.200 -0.285 0.000 0.790 523 S HN 0.277 nan 8.310 nan 0.000 0.509 524 F N -0.133 119.767 119.950 -0.084 0.000 2.772 524 F HA 0.495 5.023 4.527 0.002 0.000 0.316 524 F C 1.212 177.021 175.800 0.015 0.000 1.114 524 F CA -0.643 57.283 58.000 -0.122 0.000 1.191 524 F CB 0.066 38.810 39.000 -0.427 0.000 1.065 524 F HN 0.158 nan 8.300 nan 0.000 0.534 525 L N -0.107 121.210 121.223 0.157 0.000 2.046 525 L HA -0.086 4.255 4.340 0.002 0.000 0.208 525 L C 2.407 179.354 176.870 0.127 0.000 1.077 525 L CA 1.656 56.590 54.840 0.156 0.000 0.747 525 L CB -0.579 41.551 42.059 0.120 0.000 0.896 525 L HN 0.366 nan 8.230 nan 0.000 0.432 526 G N -1.834 107.014 108.800 0.080 0.000 3.026 526 G HA2 -0.141 3.820 3.960 0.002 0.000 0.208 526 G HA3 -0.141 3.820 3.960 0.002 0.000 0.208 526 G C 0.250 175.201 174.900 0.085 0.000 1.169 526 G CA -0.193 44.945 45.100 0.063 0.000 0.788 526 G HN 0.144 nan 8.290 nan 0.000 0.533 527 D N 1.072 121.558 120.400 0.142 0.000 2.508 527 D HA 0.079 4.721 4.640 0.002 0.000 0.224 527 D C 1.015 177.430 176.300 0.191 0.000 1.171 527 D CA -0.395 53.714 54.000 0.181 0.000 1.006 527 D CB 0.032 40.999 40.800 0.279 0.000 1.073 527 D HN 0.087 nan 8.370 nan 0.000 0.513 528 D N 1.995 122.466 120.400 0.118 0.000 2.157 528 D HA -0.184 4.458 4.640 0.002 0.000 0.191 528 D C 1.930 178.283 176.300 0.088 0.000 1.004 528 D CA 1.160 55.213 54.000 0.088 0.000 0.854 528 D CB 0.377 41.211 40.800 0.056 0.000 0.936 528 D HN 0.293 nan 8.370 nan 0.000 0.446 529 V N 1.040 121.016 119.914 0.104 0.000 2.295 529 V HA -0.242 3.879 4.120 0.002 0.000 0.246 529 V C 2.199 178.369 176.094 0.127 0.000 1.049 529 V CA 1.389 63.746 62.300 0.096 0.000 1.024 529 V CB -0.637 31.242 31.823 0.093 0.000 0.648 529 V HN 0.090 nan 8.190 nan 0.000 0.447 530 F N 0.491 120.469 119.950 0.045 0.000 2.126 530 F HA -0.204 4.325 4.527 0.002 0.000 0.299 530 F C 2.095 177.901 175.800 0.009 0.000 1.096 530 F CA 1.600 59.614 58.000 0.023 0.000 1.255 530 F CB -0.355 38.676 39.000 0.052 0.000 0.997 530 F HN 0.022 nan 8.300 nan 0.000 0.479 531 L N -0.013 121.192 121.223 -0.030 0.000 2.081 531 L HA -0.263 4.078 4.340 0.002 0.000 0.212 531 L C 2.651 179.433 176.870 -0.147 0.000 1.080 531 L CA 1.548 56.316 54.840 -0.121 0.000 0.754 531 L CB -0.686 41.380 42.059 0.013 0.000 0.893 531 L HN 0.156 nan 8.230 nan 0.000 0.433 532 R N -0.048 120.398 120.500 -0.091 0.000 2.092 532 R HA -0.142 4.199 4.340 0.002 0.000 0.231 532 R C 2.069 178.298 176.300 -0.117 0.000 1.119 532 R CA 1.156 57.209 56.100 -0.079 0.000 0.970 532 R CB -0.224 30.053 30.300 -0.038 0.000 0.864 532 R HN 0.456 nan 8.270 nan 0.000 0.440 533 E N 0.665 120.771 120.200 -0.157 0.000 2.150 533 E HA -0.156 4.195 4.350 0.002 0.000 0.193 533 E C 1.842 178.296 176.600 -0.243 0.000 0.985 533 E CA 0.623 56.923 56.400 -0.168 0.000 0.814 533 E CB 0.033 29.649 29.700 -0.139 0.000 0.752 533 E HN 0.069 nan 8.360 nan 0.000 0.466 534 L N 0.549 121.537 121.223 -0.391 0.000 2.044 534 L HA -0.043 4.298 4.340 0.002 0.000 0.205 534 L C 2.170 178.929 176.870 -0.185 0.000 1.075 534 L CA 1.792 56.411 54.840 -0.368 0.000 0.747 534 L CB -0.505 41.240 42.059 -0.523 0.000 0.903 534 L HN 0.040 nan 8.230 nan 0.000 0.435 535 A N -0.542 122.191 122.820 -0.145 0.000 1.933 535 A HA -0.284 4.037 4.320 0.002 0.000 0.218 535 A C 2.401 179.934 177.584 -0.085 0.000 1.175 535 A CA 2.048 54.033 52.037 -0.085 0.000 0.628 535 A CB -0.615 18.340 19.000 -0.074 0.000 0.814 535 A HN 0.494 nan 8.150 nan 0.000 0.444 536 K N -0.308 120.037 120.400 -0.092 0.000 2.026 536 K HA -0.100 4.222 4.320 0.002 0.000 0.208 536 K C 1.765 178.324 176.600 -0.068 0.000 1.048 536 K CA 1.679 57.922 56.287 -0.073 0.000 0.929 536 K CB -0.383 32.078 32.500 -0.066 0.000 0.713 536 K HN 0.171 nan 8.250 nan 0.000 0.439 537 V N 1.692 121.558 119.914 -0.080 0.000 2.282 537 V HA -0.303 3.818 4.120 0.002 0.000 0.249 537 V C 2.417 178.478 176.094 -0.055 0.000 1.057 537 V CA 2.248 64.509 62.300 -0.066 0.000 1.032 537 V CB -0.619 31.158 31.823 -0.077 0.000 0.645 537 V HN 0.402 nan 8.190 nan 0.000 0.447 538 K N 0.365 120.730 120.400 -0.058 0.000 2.032 538 K HA -0.241 4.080 4.320 0.002 0.000 0.209 538 K C 2.170 178.722 176.600 -0.080 0.000 1.048 538 K CA 1.893 58.150 56.287 -0.050 0.000 0.927 538 K CB -0.606 31.879 32.500 -0.024 0.000 0.712 538 K HN 0.384 nan 8.250 nan 0.000 0.441 539 Q N 0.733 120.483 119.800 -0.084 0.000 2.124 539 Q HA -0.117 4.225 4.340 0.002 0.000 0.202 539 Q C 1.763 177.722 176.000 -0.068 0.000 0.977 539 Q CA 1.904 57.649 55.803 -0.097 0.000 0.850 539 Q CB -0.199 28.489 28.738 -0.082 0.000 0.901 539 Q HN 0.420 nan 8.270 nan 0.000 0.429 540 E N -0.300 119.874 120.200 -0.044 0.000 2.110 540 E HA -0.129 4.223 4.350 0.002 0.000 0.193 540 E C 1.574 178.175 176.600 0.002 0.000 0.988 540 E CA 1.393 57.783 56.400 -0.017 0.000 0.804 540 E CB -0.113 29.579 29.700 -0.014 0.000 0.745 540 E HN 0.530 nan 8.360 nan 0.000 0.458 541 N N -0.082 118.610 118.700 -0.013 0.000 2.120 541 N HA -0.143 4.598 4.740 0.002 0.000 0.188 541 N C 1.598 177.131 175.510 0.038 0.000 1.024 541 N CA 0.965 54.020 53.050 0.008 0.000 0.852 541 N CB -0.024 38.451 38.487 -0.021 0.000 1.003 541 N HN 0.011 nan 8.380 nan 0.000 0.424 542 K N 0.967 121.326 120.400 -0.069 0.000 2.032 542 K HA -0.097 4.224 4.320 0.002 0.000 0.209 542 K C 2.037 178.659 176.600 0.036 0.000 1.048 542 K CA 0.971 57.158 56.287 -0.166 0.000 0.927 542 K CB -0.173 32.015 32.500 -0.520 0.000 0.712 542 K HN 0.136 nan 8.250 nan 0.000 0.441 543 L N 0.732 121.970 121.223 0.024 0.000 1.994 543 L HA -0.237 4.104 4.340 0.002 0.000 0.208 543 L C 2.437 179.381 176.870 0.123 0.000 1.071 543 L CA 1.257 56.138 54.840 0.068 0.000 0.745 543 L CB -0.312 41.768 42.059 0.035 0.000 0.892 543 L HN 0.068 nan 8.230 nan 0.000 0.431 544 K N -0.228 120.248 120.400 0.127 0.000 1.987 544 K HA -0.254 4.067 4.320 0.002 0.000 0.216 544 K C 1.925 178.676 176.600 0.252 0.000 1.051 544 K CA 1.894 58.278 56.287 0.161 0.000 0.942 544 K CB -0.648 31.936 32.500 0.141 0.000 0.722 544 K HN 0.045 nan 8.250 nan 0.000 0.444 545 F N 1.203 121.238 119.950 0.141 0.000 2.161 545 F HA -0.229 4.300 4.527 0.002 0.000 0.300 545 F C 2.086 178.071 175.800 0.309 0.000 1.089 545 F CA 1.635 59.764 58.000 0.215 0.000 1.282 545 F CB -0.443 38.675 39.000 0.196 0.000 1.010 545 F HN 0.005 nan 8.300 nan 0.000 0.485 546 S N -0.336 115.555 115.700 0.317 0.000 2.383 546 S HA -0.297 4.174 4.470 0.002 0.000 0.229 546 S C 1.841 176.503 174.600 0.103 0.000 1.030 546 S CA 1.461 59.794 58.200 0.222 0.000 1.002 546 S CB -0.446 62.908 63.200 0.256 0.000 0.829 546 S HN 0.493 nan 8.310 nan 0.000 0.467 547 Q N 0.009 119.878 119.800 0.115 0.000 2.061 547 Q HA -0.080 4.261 4.340 0.002 0.000 0.204 547 Q C 1.849 177.882 176.000 0.055 0.000 0.984 547 Q CA 1.656 57.508 55.803 0.082 0.000 0.846 547 Q CB -0.322 28.476 28.738 0.100 0.000 0.902 547 Q HN 0.612 nan 8.270 nan 0.000 0.421 548 F N 0.420 120.311 119.950 -0.099 0.000 2.095 548 F HA -0.227 4.301 4.527 0.002 0.000 0.298 548 F C 1.615 177.324 175.800 -0.151 0.000 1.104 548 F CA 1.342 59.252 58.000 -0.150 0.000 1.232 548 F CB -0.071 38.777 39.000 -0.253 0.000 0.987 548 F HN 0.010 nan 8.300 nan 0.000 0.475 549 L N -0.045 121.147 121.223 -0.052 0.000 2.046 549 L HA -0.218 4.123 4.340 0.002 0.000 0.208 549 L C 2.395 179.286 176.870 0.035 0.000 1.077 549 L CA 1.723 56.556 54.840 -0.011 0.000 0.747 549 L CB -0.784 41.188 42.059 -0.144 0.000 0.896 549 L HN 0.216 nan 8.230 nan 0.000 0.432 550 E N -0.534 119.661 120.200 -0.009 0.000 2.152 550 E HA -0.159 4.193 4.350 0.002 0.000 0.192 550 E C 1.992 178.570 176.600 -0.036 0.000 0.983 550 E CA 1.655 58.055 56.400 -0.000 0.000 0.818 550 E CB 0.058 29.765 29.700 0.011 0.000 0.758 550 E HN 0.564 nan 8.360 nan 0.000 0.467 551 T N -1.757 112.740 114.554 -0.095 0.000 3.100 551 T HA 0.090 4.441 4.350 0.002 0.000 0.253 551 T C 1.408 175.966 174.700 -0.237 0.000 1.118 551 T CA 0.263 62.279 62.100 -0.139 0.000 1.058 551 T CB 0.313 69.103 68.868 -0.130 0.000 0.953 551 T HN -0.072 nan 8.240 nan 0.000 0.515 552 E N -0.144 119.874 120.200 -0.304 0.000 2.399 552 E HA 0.219 4.571 4.350 0.002 0.000 0.205 552 E C -0.785 175.479 176.600 -0.560 0.000 0.906 552 E CA 0.270 56.374 56.400 -0.492 0.000 0.998 552 E CB 0.603 29.845 29.700 -0.764 0.000 1.002 552 E HN 0.594 nan 8.360 nan 0.000 0.501 553 Y N 0.570 120.780 120.300 -0.150 0.000 2.446 553 Y HA 0.355 4.907 4.550 0.002 0.000 0.345 553 Y C 0.331 176.187 175.900 -0.074 0.000 0.984 553 Y CA -0.936 57.115 58.100 -0.083 0.000 1.058 553 Y CB 1.383 39.806 38.460 -0.061 0.000 1.220 553 Y HN -0.409 nan 8.280 nan 0.000 0.455 554 K N 3.273 123.715 120.400 0.071 0.000 2.290 554 K HA 0.517 4.839 4.320 0.002 0.000 0.250 554 K C -1.319 175.305 176.600 0.040 0.000 1.092 554 K CA -0.280 56.025 56.287 0.030 0.000 1.006 554 K CB 0.919 33.419 32.500 0.001 0.000 1.549 554 K HN 0.388 nan 8.250 nan 0.000 0.436 555 V N 2.617 122.556 119.914 0.042 0.000 2.655 555 V HA 0.110 4.232 4.120 0.002 0.000 0.301 555 V C -0.490 175.611 176.094 0.012 0.000 1.082 555 V CA -1.045 61.269 62.300 0.024 0.000 0.899 555 V CB 2.249 34.083 31.823 0.018 0.000 1.014 555 V HN 0.541 nan 8.190 nan 0.000 0.429 556 K N 5.374 125.780 120.400 0.010 0.000 2.382 556 K HA 0.286 4.607 4.320 0.002 0.000 0.286 556 K C -0.389 176.222 176.600 0.017 0.000 1.062 556 K CA -0.197 56.100 56.287 0.016 0.000 1.000 556 K CB 0.225 32.736 32.500 0.019 0.000 0.954 556 K HN 0.430 nan 8.250 nan 0.000 0.470 557 I N 4.363 124.951 120.570 0.030 0.000 2.352 557 I HA 0.026 4.198 4.170 0.002 0.000 0.290 557 I C 0.292 176.462 176.117 0.088 0.000 1.036 557 I CA -0.588 60.741 61.300 0.049 0.000 1.336 557 I CB 0.545 38.590 38.000 0.075 0.000 1.407 557 I HN 0.663 nan 8.210 nan 0.000 0.497 558 N N 9.851 128.608 118.700 0.095 0.000 2.416 558 N HA 0.142 4.883 4.740 0.002 0.000 0.265 558 N C -1.934 173.687 175.510 0.185 0.000 1.195 558 N CA -1.560 51.558 53.050 0.114 0.000 0.943 558 N CB 1.246 39.793 38.487 0.100 0.000 1.115 558 N HN 0.245 nan 8.380 nan 0.000 0.481 559 P HA -0.010 nan 4.420 nan 0.000 0.230 559 P C 0.553 177.903 177.300 0.084 0.000 1.158 559 P CA 0.826 64.011 63.100 0.143 0.000 0.769 559 P CB 0.272 32.018 31.700 0.077 0.000 0.807 560 S N -2.934 112.826 115.700 0.100 0.000 2.603 560 S HA 0.143 4.615 4.470 0.002 0.000 0.232 560 S C 0.827 175.506 174.600 0.132 0.000 1.016 560 S CA -0.297 57.940 58.200 0.062 0.000 0.976 560 S CB -0.800 62.421 63.200 0.035 0.000 0.921 560 S HN 0.111 nan 8.310 nan 0.000 0.516 561 S N 1.908 117.713 115.700 0.175 0.000 2.580 561 S HA 0.348 4.820 4.470 0.002 0.000 0.266 561 S C 0.179 174.855 174.600 0.126 0.000 1.354 561 S CA -0.679 57.608 58.200 0.146 0.000 1.008 561 S CB -0.042 63.245 63.200 0.145 0.000 0.898 561 S HN 0.599 nan 8.310 nan 0.000 0.555 562 M N 2.244 121.720 119.600 -0.207 0.000 2.184 562 M HA 0.303 4.785 4.480 0.002 0.000 0.351 562 M C -1.584 174.748 176.300 0.053 0.000 1.395 562 M CA -0.377 54.647 55.300 -0.460 0.000 1.117 562 M CB -0.312 31.658 32.600 -1.050 0.000 1.708 562 M HN 0.610 nan 8.290 nan 0.000 0.468 563 F N 4.140 123.985 119.950 -0.176 0.000 2.439 563 F HA 0.206 4.734 4.527 0.002 0.000 0.356 563 F C 0.309 176.043 175.800 -0.109 0.000 1.161 563 F CA -0.569 57.382 58.000 -0.082 0.000 1.151 563 F CB -0.244 38.759 39.000 0.005 0.000 1.222 563 F HN 0.478 nan 8.300 nan 0.000 0.558 564 D N 3.842 124.225 120.400 -0.028 0.000 2.427 564 D HA 0.419 5.060 4.640 0.002 0.000 0.226 564 D C -1.205 175.023 176.300 -0.121 0.000 1.076 564 D CA -0.173 53.769 54.000 -0.097 0.000 0.849 564 D CB 1.185 41.915 40.800 -0.116 0.000 1.052 564 D HN 0.162 nan 8.370 nan 0.000 0.515 565 V N 4.536 124.347 119.914 -0.172 0.000 2.483 565 V HA 0.354 4.475 4.120 0.002 0.000 0.297 565 V C -0.278 175.650 176.094 -0.276 0.000 1.027 565 V CA -0.816 61.369 62.300 -0.193 0.000 0.855 565 V CB 1.765 33.515 31.823 -0.121 0.000 0.995 565 V HN 0.525 nan 8.190 nan 0.000 0.424 566 Q N 4.122 123.799 119.800 -0.204 0.000 2.401 566 Q HA 0.635 4.976 4.340 0.002 0.000 0.260 566 Q C -1.254 174.607 176.000 -0.232 0.000 1.034 566 Q CA -0.470 55.212 55.803 -0.201 0.000 0.737 566 Q CB 1.783 30.430 28.738 -0.152 0.000 1.227 566 Q HN 0.777 nan 8.270 nan 0.000 0.488 567 V N 1.585 121.361 119.914 -0.231 0.000 2.444 567 V HA 0.824 4.945 4.120 0.002 0.000 0.294 567 V C -0.885 174.974 176.094 -0.392 0.000 1.022 567 V CA -0.555 61.443 62.300 -0.504 0.000 0.850 567 V CB 1.121 32.456 31.823 -0.814 0.000 0.992 567 V HN 0.815 nan 8.190 nan 0.000 0.426 568 K N 2.778 122.955 120.400 -0.372 0.000 2.755 568 K HA 0.558 4.879 4.320 0.002 0.000 0.294 568 K C -1.143 175.437 176.600 -0.033 0.000 1.060 568 K CA -1.277 54.944 56.287 -0.111 0.000 0.845 568 K CB 1.036 33.488 32.500 -0.081 0.000 1.539 568 K HN 0.406 nan 8.250 nan 0.000 0.379 569 R N 0.827 121.373 120.500 0.077 0.000 2.694 569 R HA 0.229 4.571 4.340 0.002 0.000 0.268 569 R C 0.234 176.569 176.300 0.059 0.000 1.061 569 R CA -0.371 55.800 56.100 0.118 0.000 1.133 569 R CB -0.012 30.404 30.300 0.193 0.000 1.020 569 R HN 0.488 nan 8.270 nan 0.000 0.475 570 I N 3.814 124.407 120.570 0.038 0.000 2.396 570 I HA 0.175 4.347 4.170 0.002 0.000 0.289 570 I C 0.630 176.678 176.117 -0.115 0.000 1.056 570 I CA 0.433 61.706 61.300 -0.045 0.000 1.365 570 I CB 0.051 38.020 38.000 -0.051 0.000 1.407 570 I HN 0.280 nan 8.210 nan 0.000 0.509 571 H N 4.316 123.308 119.070 -0.129 0.000 2.974 571 H HA 0.212 4.769 4.556 0.002 0.000 0.366 571 H C 0.408 175.629 175.328 -0.178 0.000 1.155 571 H CA -0.434 55.584 56.048 -0.049 0.000 1.186 571 H CB 2.206 31.785 29.762 -0.304 0.000 1.799 571 H HN 0.547 nan 8.280 nan 0.000 0.541 572 E N 1.474 121.753 120.200 0.131 0.000 2.118 572 E HA -0.236 4.115 4.350 0.002 0.000 0.195 572 E C 1.475 177.823 176.600 -0.421 0.000 0.992 572 E CA 1.674 58.081 56.400 0.012 0.000 0.804 572 E CB 0.003 29.924 29.700 0.367 0.000 0.741 572 E HN 0.557 nan 8.360 nan 0.000 0.458 573 Y N 1.234 120.979 120.300 -0.926 0.000 2.200 573 Y HA -0.080 4.471 4.550 0.002 0.000 0.290 573 Y C 1.689 177.306 175.900 -0.471 0.000 1.137 573 Y CA 1.081 58.443 58.100 -1.230 0.000 1.163 573 Y CB -0.295 37.505 38.460 -1.101 0.000 0.988 573 Y HN -0.220 nan 8.280 nan 0.000 0.518 574 K N 0.413 120.292 120.400 -0.868 0.000 2.211 574 K HA -0.043 4.278 4.320 0.002 0.000 0.203 574 K C 0.322 176.748 176.600 -0.290 0.000 1.050 574 K CA 1.139 57.086 56.287 -0.566 0.000 0.945 574 K CB -0.122 32.047 32.500 -0.552 0.000 0.732 574 K HN 0.294 nan 8.250 nan 0.000 0.451 575 R N -0.192 120.162 120.500 -0.244 0.000 3.532 575 R HA -0.217 4.124 4.340 0.002 0.000 0.284 575 R C 0.520 176.747 176.300 -0.121 0.000 1.140 575 R CA 0.317 56.331 56.100 -0.144 0.000 0.768 575 R CB -2.135 28.092 30.300 -0.122 0.000 1.252 575 R HN 0.233 nan 8.270 nan 0.000 0.454 576 Q N 0.475 120.203 119.800 -0.120 0.000 2.217 576 Q HA -0.168 4.174 4.340 0.002 0.000 0.209 576 Q C 1.941 177.906 176.000 -0.058 0.000 0.988 576 Q CA 1.998 57.750 55.803 -0.086 0.000 0.878 576 Q CB -0.084 28.611 28.738 -0.072 0.000 0.909 576 Q HN 0.609 nan 8.270 nan 0.000 0.424 577 L N -0.309 120.881 121.223 -0.055 0.000 2.013 577 L HA -0.229 4.112 4.340 0.002 0.000 0.212 577 L C 2.087 178.968 176.870 0.019 0.000 1.073 577 L CA 1.168 55.992 54.840 -0.027 0.000 0.753 577 L CB -0.333 41.721 42.059 -0.009 0.000 0.890 577 L HN 0.372 nan 8.230 nan 0.000 0.432 578 L N -0.017 121.209 121.223 0.006 0.000 2.017 578 L HA -0.270 4.072 4.340 0.002 0.000 0.208 578 L C 2.034 178.977 176.870 0.122 0.000 1.073 578 L CA 2.292 57.155 54.840 0.038 0.000 0.745 578 L CB -1.131 40.857 42.059 -0.119 0.000 0.894 578 L HN 0.331 nan 8.230 nan 0.000 0.432 579 N N -1.259 117.469 118.700 0.047 0.000 2.021 579 N HA -0.345 4.396 4.740 0.002 0.000 0.198 579 N C 2.199 177.820 175.510 0.184 0.000 1.041 579 N CA 2.070 55.237 53.050 0.195 0.000 0.862 579 N CB -0.440 38.088 38.487 0.067 0.000 1.048 579 N HN 0.637 nan 8.380 nan 0.000 0.427 580 C N 0.803 120.142 119.300 0.064 0.000 2.391 580 C HA -0.132 4.329 4.460 0.002 0.000 0.276 580 C C 2.606 177.616 174.990 0.032 0.000 1.217 580 C CA 0.703 59.718 59.018 -0.005 0.000 1.766 580 C CB -1.467 26.224 27.740 -0.082 0.000 2.046 580 C HN 0.488 nan 8.230 nan 0.000 0.475 581 L N -0.502 120.799 121.223 0.130 0.000 2.017 581 L HA -0.159 4.182 4.340 0.002 0.000 0.208 581 L C 2.833 179.875 176.870 0.287 0.000 1.073 581 L CA 2.187 57.151 54.840 0.206 0.000 0.745 581 L CB -1.344 40.897 42.059 0.303 0.000 0.894 581 L HN 0.564 nan 8.230 nan 0.000 0.432 582 H N 0.024 119.249 119.070 0.258 0.000 2.422 582 H HA -0.144 4.413 4.556 0.002 0.000 0.298 582 H C 2.168 177.541 175.328 0.074 0.000 1.098 582 H CA 1.701 57.824 56.048 0.124 0.000 1.315 582 H CB 0.347 30.103 29.762 -0.011 0.000 1.382 582 H HN 0.105 nan 8.280 nan 0.000 0.523 583 V N 1.268 121.163 119.914 -0.033 0.000 2.261 583 V HA -0.269 3.853 4.120 0.002 0.000 0.246 583 V C 2.811 178.886 176.094 -0.032 0.000 1.047 583 V CA 1.878 64.122 62.300 -0.094 0.000 1.015 583 V CB -0.506 31.283 31.823 -0.057 0.000 0.642 583 V HN 0.347 nan 8.190 nan 0.000 0.446 584 I N 0.009 120.597 120.570 0.029 0.000 2.163 584 I HA -0.276 3.895 4.170 0.002 0.000 0.243 584 I C 2.533 178.755 176.117 0.176 0.000 1.085 584 I CA 2.045 63.442 61.300 0.161 0.000 1.347 584 I CB -0.790 37.316 38.000 0.176 0.000 1.044 584 I HN 0.334 nan 8.210 nan 0.000 0.408 585 T N 0.766 115.383 114.554 0.104 0.000 2.720 585 T HA -0.228 4.124 4.350 0.002 0.000 0.268 585 T C 1.914 176.613 174.700 -0.001 0.000 1.037 585 T CA 1.554 63.699 62.100 0.074 0.000 1.144 585 T CB -0.257 68.687 68.868 0.127 0.000 0.864 585 T HN 0.274 nan 8.240 nan 0.000 0.444 586 M N -0.236 119.309 119.600 -0.091 0.000 2.086 586 M HA -0.097 4.384 4.480 0.002 0.000 0.261 586 M C 2.257 178.541 176.300 -0.026 0.000 1.067 586 M CA 1.809 57.111 55.300 0.005 0.000 1.116 586 M CB -0.545 32.070 32.600 0.025 0.000 1.348 586 M HN 0.283 nan 8.290 nan 0.000 0.407 587 Y N 1.909 122.156 120.300 -0.089 0.000 2.070 587 Y HA -0.312 4.240 4.550 0.002 0.000 0.280 587 Y C 2.123 177.972 175.900 -0.084 0.000 1.148 587 Y CA 1.970 60.020 58.100 -0.084 0.000 1.125 587 Y CB -0.678 37.808 38.460 0.042 0.000 0.975 587 Y HN 0.260 nan 8.280 nan 0.000 0.492 588 N N 0.618 119.204 118.700 -0.190 0.000 2.036 588 N HA -0.216 4.526 4.740 0.002 0.000 0.195 588 N C 1.957 177.315 175.510 -0.253 0.000 1.037 588 N CA 1.981 54.870 53.050 -0.267 0.000 0.855 588 N CB -0.607 37.831 38.487 -0.080 0.000 1.033 588 N HN 0.417 nan 8.380 nan 0.000 0.423 589 R N 0.406 120.814 120.500 -0.154 0.000 2.133 589 R HA -0.090 4.252 4.340 0.002 0.000 0.247 589 R C 2.259 178.435 176.300 -0.206 0.000 1.151 589 R CA 1.042 57.069 56.100 -0.121 0.000 0.971 589 R CB -0.381 29.909 30.300 -0.017 0.000 0.866 589 R HN 0.318 nan 8.270 nan 0.000 0.447 590 I N 0.657 121.012 120.570 -0.358 0.000 2.163 590 I HA -0.273 3.898 4.170 0.002 0.000 0.240 590 I C 2.249 178.173 176.117 -0.321 0.000 1.081 590 I CA 1.149 62.203 61.300 -0.411 0.000 1.353 590 I CB -0.255 37.411 38.000 -0.557 0.000 1.054 590 I HN 0.047 nan 8.210 nan 0.000 0.407 591 K N 1.071 121.225 120.400 -0.410 0.000 2.020 591 K HA -0.260 4.062 4.320 0.002 0.000 0.212 591 K C 2.052 178.524 176.600 -0.213 0.000 1.050 591 K CA 1.499 57.582 56.287 -0.340 0.000 0.929 591 K CB -0.620 31.602 32.500 -0.464 0.000 0.714 591 K HN 0.276 nan 8.250 nan 0.000 0.443 592 K N 0.724 121.009 120.400 -0.191 0.000 2.032 592 K HA -0.163 4.159 4.320 0.002 0.000 0.209 592 K C 0.059 176.598 176.600 -0.103 0.000 1.048 592 K CA 1.394 57.603 56.287 -0.130 0.000 0.927 592 K CB 0.057 32.491 32.500 -0.109 0.000 0.712 592 K HN 0.005 nan 8.250 nan 0.000 0.441 593 D N -0.681 119.656 120.400 -0.105 0.000 2.363 593 D HA 0.205 4.846 4.640 0.002 0.000 0.258 593 D C -2.271 173.980 176.300 -0.081 0.000 1.259 593 D CA -2.059 51.896 54.000 -0.075 0.000 0.921 593 D CB 1.626 42.397 40.800 -0.049 0.000 1.201 593 D HN -0.060 nan 8.370 nan 0.000 0.524 594 P HA 0.018 nan 4.420 nan 0.000 0.225 594 P C 0.974 178.243 177.300 -0.052 0.000 1.156 594 P CA 0.529 63.576 63.100 -0.089 0.000 0.787 594 P CB 0.622 32.274 31.700 -0.080 0.000 0.802 595 K N -0.332 120.049 120.400 -0.032 0.000 2.379 595 K HA 0.055 4.376 4.320 0.002 0.000 0.194 595 K C 0.781 177.384 176.600 0.005 0.000 1.031 595 K CA 0.157 56.437 56.287 -0.012 0.000 1.037 595 K CB -0.393 32.100 32.500 -0.011 0.000 0.824 595 K HN 0.068 nan 8.250 nan 0.000 0.516 596 K N 1.209 121.611 120.400 0.004 0.000 2.401 596 K HA 0.019 4.340 4.320 0.002 0.000 0.278 596 K C -0.387 176.254 176.600 0.067 0.000 1.018 596 K CA -0.356 55.947 56.287 0.026 0.000 0.981 596 K CB 0.306 32.817 32.500 0.019 0.000 0.933 596 K HN -0.065 nan 8.250 nan 0.000 0.477 597 L N 6.169 127.430 121.223 0.064 0.000 2.597 597 L HA 0.177 4.518 4.340 0.002 0.000 0.271 597 L C -1.290 175.660 176.870 0.134 0.000 1.157 597 L CA 0.752 55.639 54.840 0.079 0.000 0.928 597 L CB -0.381 41.702 42.059 0.040 0.000 1.216 597 L HN 0.606 nan 8.230 nan 0.000 0.481 598 F N 5.579 125.520 119.950 -0.016 0.000 2.507 598 F HA 0.511 5.040 4.527 0.002 0.000 0.328 598 F C -0.678 175.113 175.800 -0.015 0.000 1.136 598 F CA -0.901 57.086 58.000 -0.022 0.000 0.930 598 F CB 1.348 40.329 39.000 -0.031 0.000 1.166 598 F HN 0.155 nan 8.300 nan 0.000 0.436 599 V N 8.492 128.068 119.914 -0.563 0.000 2.415 599 V HA 0.188 4.309 4.120 0.002 0.000 0.267 599 V C -1.798 173.983 176.094 -0.522 0.000 1.042 599 V CA -1.349 60.717 62.300 -0.390 0.000 1.000 599 V CB -0.057 31.597 31.823 -0.282 0.000 1.015 599 V HN 0.561 nan 8.190 nan 0.000 0.478 600 P HA 0.211 nan 4.420 nan 0.000 0.268 600 P C -0.453 176.783 177.300 -0.108 0.000 1.204 600 P CA 0.055 63.154 63.100 -0.002 0.000 0.768 600 P CB 0.689 32.445 31.700 0.094 0.000 0.842 601 R N 1.324 121.792 120.500 -0.052 0.000 2.740 601 R HA 0.515 4.856 4.340 0.002 0.000 0.282 601 R C -0.322 175.949 176.300 -0.050 0.000 0.969 601 R CA -0.677 55.359 56.100 -0.105 0.000 0.918 601 R CB 1.689 31.907 30.300 -0.136 0.000 1.175 601 R HN 0.324 nan 8.270 nan 0.000 0.464 602 T N 2.103 116.592 114.554 -0.110 0.000 2.753 602 T HA 0.220 4.571 4.350 0.002 0.000 0.297 602 T C -0.099 174.452 174.700 -0.248 0.000 0.981 602 T CA -0.499 61.455 62.100 -0.244 0.000 0.956 602 T CB 0.964 69.497 68.868 -0.558 0.000 0.936 602 T HN 0.145 nan 8.240 nan 0.000 0.463 603 V N 5.884 125.696 119.914 -0.169 0.000 2.385 603 V HA 0.397 4.518 4.120 0.002 0.000 0.269 603 V C 0.106 176.105 176.094 -0.159 0.000 1.043 603 V CA -0.622 61.597 62.300 -0.136 0.000 0.906 603 V CB 0.450 32.227 31.823 -0.077 0.000 0.995 603 V HN 0.783 nan 8.190 nan 0.000 0.467 604 I N 6.533 127.006 120.570 -0.162 0.000 2.362 604 I HA 0.508 4.680 4.170 0.002 0.000 0.289 604 I C -0.403 175.613 176.117 -0.169 0.000 0.994 604 I CA -0.157 61.044 61.300 -0.165 0.000 1.158 604 I CB 1.536 39.459 38.000 -0.129 0.000 1.315 604 I HN 0.435 nan 8.210 nan 0.000 0.451 605 I N 5.263 125.714 120.570 -0.199 0.000 2.433 605 I HA 0.761 4.932 4.170 0.002 0.000 0.292 605 I C 0.285 176.086 176.117 -0.526 0.000 1.001 605 I CA -0.341 60.815 61.300 -0.241 0.000 1.119 605 I CB 2.016 39.959 38.000 -0.095 0.000 1.289 605 I HN 0.655 nan 8.210 nan 0.000 0.438 606 G N 2.885 111.358 108.800 -0.545 0.000 2.690 606 G HA2 0.820 4.781 3.960 0.002 0.000 0.293 606 G HA3 0.820 4.781 3.960 0.002 0.000 0.293 606 G C -0.950 173.668 174.900 -0.470 0.000 1.399 606 G CA -0.619 44.048 45.100 -0.721 0.000 0.890 606 G HN 1.011 nan 8.290 nan 0.000 0.485 607 G N -0.441 108.232 108.800 -0.212 0.000 2.333 607 G HA2 0.369 4.330 3.960 0.002 0.000 0.330 607 G HA3 0.369 4.330 3.960 0.002 0.000 0.330 607 G C -1.228 173.804 174.900 0.219 0.000 1.465 607 G CA -1.050 44.083 45.100 0.055 0.000 0.996 607 G HN 0.627 nan 8.290 nan 0.000 0.655 608 K N -0.098 120.437 120.400 0.225 0.000 2.110 608 K HA 0.738 5.059 4.320 0.002 0.000 0.263 608 K C 0.223 176.960 176.600 0.229 0.000 0.975 608 K CA -0.159 56.285 56.287 0.260 0.000 0.895 608 K CB 2.086 34.659 32.500 0.122 0.000 1.060 608 K HN 0.913 nan 8.250 nan 0.000 0.448 609 A N 1.501 124.477 122.820 0.261 0.000 2.317 609 A HA 0.617 4.939 4.320 0.002 0.000 0.327 609 A C -0.330 177.395 177.584 0.236 0.000 1.178 609 A CA -0.736 51.386 52.037 0.140 0.000 0.817 609 A CB 0.952 19.964 19.000 0.020 0.000 1.189 609 A HN 0.789 nan 8.150 nan 0.000 0.489 610 A N 3.650 126.591 122.820 0.202 0.000 2.540 610 A HA 0.464 4.785 4.320 0.002 0.000 0.239 610 A C -1.393 176.255 177.584 0.106 0.000 1.061 610 A CA -0.746 51.410 52.037 0.200 0.000 0.758 610 A CB -0.307 18.781 19.000 0.147 0.000 0.991 610 A HN 0.593 nan 8.150 nan 0.000 0.502 611 P HA -0.099 nan 4.420 nan 0.000 0.219 611 P C 1.354 178.633 177.300 -0.037 0.000 1.146 611 P CA 1.863 64.904 63.100 -0.098 0.000 0.808 611 P CB 0.166 31.749 31.700 -0.194 0.000 0.779 612 G N -2.646 106.151 108.800 -0.005 0.000 2.838 612 G HA2 -0.140 3.821 3.960 0.002 0.000 0.210 612 G HA3 -0.140 3.821 3.960 0.002 0.000 0.210 612 G C 0.040 174.965 174.900 0.040 0.000 1.153 612 G CA -0.027 45.071 45.100 -0.004 0.000 0.778 612 G HN 0.168 nan 8.290 nan 0.000 0.539 613 Y N 2.637 122.863 120.300 -0.122 0.000 2.620 613 Y HA 0.129 4.680 4.550 0.002 0.000 0.352 613 Y C 1.506 177.384 175.900 -0.037 0.000 1.140 613 Y CA -1.503 56.513 58.100 -0.140 0.000 1.529 613 Y CB -0.862 37.483 38.460 -0.190 0.000 1.321 613 Y HN 0.377 nan 8.280 nan 0.000 0.501 614 H N 3.945 123.125 119.070 0.183 0.000 2.290 614 H HA -0.228 4.330 4.556 0.002 0.000 0.298 614 H C 1.718 177.044 175.328 -0.003 0.000 1.087 614 H CA 2.275 58.361 56.048 0.064 0.000 1.291 614 H CB 0.376 30.176 29.762 0.063 0.000 1.369 614 H HN 0.622 nan 8.280 nan 0.000 0.492 615 M N 1.054 120.582 119.600 -0.119 0.000 2.132 615 M HA -0.041 4.440 4.480 0.002 0.000 0.263 615 M C 2.587 178.618 176.300 -0.447 0.000 1.065 615 M CA 1.798 56.951 55.300 -0.245 0.000 1.122 615 M CB -0.762 31.858 32.600 0.034 0.000 1.365 615 M HN 0.324 nan 8.290 nan 0.000 0.411 616 A N -0.096 122.176 122.820 -0.914 0.000 1.917 616 A HA -0.265 4.056 4.320 0.002 0.000 0.219 616 A C 2.219 179.588 177.584 -0.358 0.000 1.182 616 A CA 2.297 53.859 52.037 -0.792 0.000 0.633 616 A CB -0.764 17.512 19.000 -1.206 0.000 0.819 616 A HN 0.612 nan 8.150 nan 0.000 0.448 617 K N -1.336 118.910 120.400 -0.257 0.000 2.097 617 K HA -0.067 4.254 4.320 0.002 0.000 0.205 617 K C 2.142 178.726 176.600 -0.026 0.000 1.050 617 K CA 1.401 57.644 56.287 -0.073 0.000 0.938 617 K CB -0.217 32.296 32.500 0.021 0.000 0.718 617 K HN 0.355 nan 8.250 nan 0.000 0.442 618 M N 0.678 120.210 119.600 -0.112 0.000 2.065 618 M HA -0.149 4.332 4.480 0.002 0.000 0.259 618 M C 2.189 178.450 176.300 -0.065 0.000 1.069 618 M CA 1.652 56.930 55.300 -0.037 0.000 1.110 618 M CB -0.802 31.740 32.600 -0.097 0.000 1.328 618 M HN 0.153 nan 8.290 nan 0.000 0.405 619 I N -0.410 120.079 120.570 -0.136 0.000 2.335 619 I HA -0.314 3.857 4.170 0.002 0.000 0.251 619 I C 2.379 178.392 176.117 -0.173 0.000 1.129 619 I CA 1.172 62.385 61.300 -0.146 0.000 1.402 619 I CB -0.461 37.446 38.000 -0.154 0.000 1.069 619 I HN 0.229 nan 8.210 nan 0.000 0.424 620 I N 0.510 120.960 120.570 -0.200 0.000 2.133 620 I HA -0.285 3.887 4.170 0.002 0.000 0.238 620 I C 2.735 178.610 176.117 -0.402 0.000 1.074 620 I CA 1.282 62.382 61.300 -0.333 0.000 1.342 620 I CB -0.383 37.387 38.000 -0.383 0.000 1.053 620 I HN 0.122 nan 8.210 nan 0.000 0.404 621 K N 0.684 120.844 120.400 -0.401 0.000 2.074 621 K HA -0.244 4.077 4.320 0.002 0.000 0.209 621 K C 2.163 178.622 176.600 -0.235 0.000 1.048 621 K CA 1.632 57.580 56.287 -0.565 0.000 0.926 621 K CB -0.622 31.183 32.500 -1.159 0.000 0.713 621 K HN 0.148 nan 8.250 nan 0.000 0.444 622 L N 1.309 122.449 121.223 -0.139 0.000 2.043 622 L HA -0.186 4.155 4.340 0.002 0.000 0.212 622 L C 2.157 178.762 176.870 -0.442 0.000 1.075 622 L CA 1.547 56.078 54.840 -0.514 0.000 0.752 622 L CB -0.296 41.357 42.059 -0.677 0.000 0.891 622 L HN 0.143 nan 8.230 nan 0.000 0.432 623 I N -1.000 119.379 120.570 -0.318 0.000 2.202 623 I HA -0.280 3.891 4.170 0.002 0.000 0.242 623 I C 2.401 178.384 176.117 -0.224 0.000 1.091 623 I CA 1.656 62.812 61.300 -0.241 0.000 1.368 623 I CB -0.734 37.219 38.000 -0.079 0.000 1.058 623 I HN 0.448 nan 8.210 nan 0.000 0.410 624 T N -2.146 112.260 114.554 -0.248 0.000 2.833 624 T HA -0.126 4.226 4.350 0.002 0.000 0.269 624 T C 1.989 176.579 174.700 -0.182 0.000 1.054 624 T CA 1.510 63.490 62.100 -0.199 0.000 1.135 624 T CB -0.500 68.206 68.868 -0.270 0.000 0.869 624 T HN 0.182 nan 8.240 nan 0.000 0.466 625 S N 1.131 116.708 115.700 -0.205 0.000 2.348 625 S HA -0.064 4.407 4.470 0.002 0.000 0.221 625 S C 2.275 176.759 174.600 -0.192 0.000 1.033 625 S CA 1.185 59.307 58.200 -0.130 0.000 1.010 625 S CB -0.710 62.491 63.200 0.002 0.000 0.891 625 S HN 0.381 nan 8.310 nan 0.000 0.442 626 V N 2.190 121.852 119.914 -0.420 0.000 2.255 626 V HA -0.262 3.860 4.120 0.002 0.000 0.247 626 V C 2.673 178.604 176.094 -0.272 0.000 1.051 626 V CA 1.835 63.799 62.300 -0.560 0.000 1.018 626 V CB -1.286 30.121 31.823 -0.694 0.000 0.641 626 V HN 0.552 nan 8.190 nan 0.000 0.445 627 A N -0.357 122.340 122.820 -0.205 0.000 1.917 627 A HA -0.314 4.007 4.320 0.002 0.000 0.219 627 A C 2.035 179.556 177.584 -0.105 0.000 1.182 627 A CA 2.247 54.205 52.037 -0.133 0.000 0.633 627 A CB -0.726 18.220 19.000 -0.091 0.000 0.819 627 A HN 0.580 nan 8.150 nan 0.000 0.448 628 D N -0.219 120.124 120.400 -0.095 0.000 2.087 628 D HA -0.132 4.510 4.640 0.002 0.000 0.192 628 D C 2.202 178.455 176.300 -0.078 0.000 0.993 628 D CA 1.772 55.731 54.000 -0.069 0.000 0.828 628 D CB -0.636 40.129 40.800 -0.060 0.000 0.968 628 D HN 0.217 nan 8.370 nan 0.000 0.448 629 V N 1.119 120.978 119.914 -0.091 0.000 2.220 629 V HA -0.274 3.847 4.120 0.002 0.000 0.250 629 V C 2.773 178.769 176.094 -0.163 0.000 1.056 629 V CA 1.594 63.808 62.300 -0.142 0.000 1.016 629 V CB -0.867 30.869 31.823 -0.145 0.000 0.639 629 V HN 0.045 nan 8.190 nan 0.000 0.446 630 V N 0.583 120.372 119.914 -0.209 0.000 2.332 630 V HA -0.239 3.883 4.120 0.002 0.000 0.248 630 V C 2.184 178.253 176.094 -0.042 0.000 1.055 630 V CA 2.285 64.485 62.300 -0.167 0.000 1.038 630 V CB -0.976 30.760 31.823 -0.145 0.000 0.651 630 V HN 0.579 nan 8.190 nan 0.000 0.450 631 N N 0.671 119.341 118.700 -0.050 0.000 2.512 631 N HA -0.065 4.676 4.740 0.002 0.000 0.183 631 N C 1.215 176.719 175.510 -0.009 0.000 1.073 631 N CA 0.794 53.829 53.050 -0.025 0.000 0.911 631 N CB -0.276 38.191 38.487 -0.032 0.000 0.964 631 N HN 0.539 nan 8.380 nan 0.000 0.447 632 N N -0.089 118.605 118.700 -0.010 0.000 2.171 632 N HA -0.034 4.707 4.740 0.002 0.000 0.212 632 N C -0.560 174.962 175.510 0.019 0.000 1.184 632 N CA -0.049 53.001 53.050 -0.000 0.000 0.888 632 N CB 0.740 39.219 38.487 -0.013 0.000 1.038 632 N HN 0.117 nan 8.380 nan 0.000 0.517 633 D N 2.861 123.290 120.400 0.047 0.000 2.352 633 D HA 0.099 4.740 4.640 0.002 0.000 0.245 633 D C -1.381 174.958 176.300 0.065 0.000 1.224 633 D CA -1.762 52.293 54.000 0.092 0.000 0.879 633 D CB 1.690 42.627 40.800 0.229 0.000 1.057 633 D HN 0.050 nan 8.370 nan 0.000 0.491 634 P HA -0.137 nan 4.420 nan 0.000 0.220 634 P C 1.658 178.967 177.300 0.015 0.000 1.148 634 P CA 0.603 63.717 63.100 0.023 0.000 0.803 634 P CB 0.192 31.901 31.700 0.016 0.000 0.782 635 M N -0.101 119.508 119.600 0.015 0.000 2.374 635 M HA -0.083 4.399 4.480 0.002 0.000 0.264 635 M C 1.795 178.075 176.300 -0.034 0.000 1.067 635 M CA 1.395 56.687 55.300 -0.014 0.000 1.103 635 M CB -0.073 32.508 32.600 -0.032 0.000 1.402 635 M HN -0.117 nan 8.290 nan 0.000 0.444 636 V N -1.995 117.913 119.914 -0.010 0.000 2.672 636 V HA 0.291 4.412 4.120 0.002 0.000 0.242 636 V C 1.517 177.605 176.094 -0.010 0.000 1.059 636 V CA 1.294 63.573 62.300 -0.036 0.000 1.081 636 V CB -0.799 31.020 31.823 -0.007 0.000 0.752 636 V HN 0.589 nan 8.190 nan 0.000 0.472 637 G N 1.537 110.344 108.800 0.013 0.000 2.690 637 G HA2 -0.495 3.466 3.960 0.002 0.000 0.334 637 G HA3 -0.495 3.466 3.960 0.002 0.000 0.334 637 G C 1.290 176.204 174.900 0.024 0.000 1.250 637 G CA 2.239 47.349 45.100 0.017 0.000 0.994 637 G HN 1.846 nan 8.290 nan 0.000 0.549 638 S N 0.536 116.255 115.700 0.031 0.000 2.671 638 S HA 0.266 4.737 4.470 0.002 0.000 0.220 638 S C 1.704 176.349 174.600 0.075 0.000 0.951 638 S CA 1.128 59.355 58.200 0.046 0.000 0.932 638 S CB 0.196 63.424 63.200 0.046 0.000 0.777 638 S HN 0.694 nan 8.310 nan 0.000 0.508 639 K N -0.193 120.255 120.400 0.081 0.000 2.137 639 K HA 0.242 4.564 4.320 0.002 0.000 0.202 639 K C -0.152 176.597 176.600 0.248 0.000 1.052 639 K CA 0.456 56.849 56.287 0.178 0.000 0.961 639 K CB -0.025 32.537 32.500 0.104 0.000 0.741 639 K HN 0.335 nan 8.250 nan 0.000 0.452 640 L N 1.185 122.478 121.223 0.118 0.000 2.409 640 L HA 0.344 4.686 4.340 0.002 0.000 0.272 640 L C -1.736 175.157 176.870 0.038 0.000 0.980 640 L CA -0.452 54.455 54.840 0.113 0.000 0.826 640 L CB 1.708 43.827 42.059 0.100 0.000 1.268 640 L HN -0.211 nan 8.230 nan 0.000 0.407 641 K N 4.381 124.781 120.400 0.000 0.000 2.471 641 K HA 0.647 4.968 4.320 0.002 0.000 0.252 641 K C -1.518 175.029 176.600 -0.088 0.000 0.938 641 K CA -0.576 55.682 56.287 -0.047 0.000 0.796 641 K CB 2.536 34.999 32.500 -0.062 0.000 1.161 641 K HN 0.355 nan 8.250 nan 0.000 0.425 642 V N 4.332 124.190 119.914 -0.093 0.000 2.459 642 V HA 0.480 4.602 4.120 0.002 0.000 0.295 642 V C -0.141 175.871 176.094 -0.137 0.000 1.029 642 V CA -0.892 61.341 62.300 -0.112 0.000 0.874 642 V CB 1.664 33.427 31.823 -0.099 0.000 0.985 642 V HN 0.531 nan 8.190 nan 0.000 0.438 643 I N 4.612 125.074 120.570 -0.179 0.000 2.436 643 I HA 0.379 4.551 4.170 0.002 0.000 0.289 643 I C -0.530 175.495 176.117 -0.155 0.000 1.010 643 I CA -0.561 60.588 61.300 -0.251 0.000 1.098 643 I CB 1.664 39.407 38.000 -0.430 0.000 1.266 643 I HN 0.596 nan 8.210 nan 0.000 0.434 644 F N 6.982 126.827 119.950 -0.175 0.000 2.424 644 F HA 0.351 4.879 4.527 0.002 0.000 0.356 644 F C -0.302 175.484 175.800 -0.022 0.000 1.110 644 F CA -0.344 57.604 58.000 -0.087 0.000 1.161 644 F CB 0.740 39.712 39.000 -0.046 0.000 1.115 644 F HN 0.302 nan 8.300 nan 0.000 0.507 645 L N 7.173 128.015 121.223 -0.635 0.000 2.268 645 L HA 0.259 4.600 4.340 0.002 0.000 0.289 645 L C -0.185 176.645 176.870 -0.067 0.000 1.064 645 L CA -0.294 54.429 54.840 -0.194 0.000 0.824 645 L CB 0.466 42.433 42.059 -0.153 0.000 1.202 645 L HN 0.712 nan 8.230 nan 0.000 0.433 646 E N 3.396 123.794 120.200 0.329 0.000 2.383 646 E HA -0.021 4.330 4.350 0.002 0.000 0.264 646 E C 0.531 177.307 176.600 0.293 0.000 1.050 646 E CA -0.072 56.549 56.400 0.369 0.000 0.896 646 E CB 0.352 30.267 29.700 0.359 0.000 0.982 646 E HN 0.515 nan 8.360 nan 0.000 0.424 647 N N 1.309 120.175 118.700 0.278 0.000 2.747 647 N HA -0.255 4.487 4.740 0.002 0.000 0.249 647 N C -1.216 174.395 175.510 0.169 0.000 1.107 647 N CA 0.380 53.553 53.050 0.206 0.000 0.707 647 N CB -1.627 36.968 38.487 0.180 0.000 1.054 647 N HN 0.513 nan 8.380 nan 0.000 0.555 648 Y N 1.573 121.917 120.300 0.073 0.000 2.895 648 Y HA 0.009 4.560 4.550 0.002 0.000 0.334 648 Y C 1.157 177.078 175.900 0.036 0.000 1.261 648 Y CA 1.298 59.419 58.100 0.036 0.000 1.560 648 Y CB 0.272 38.731 38.460 -0.003 0.000 1.253 648 Y HN 0.367 nan 8.280 nan 0.000 0.582 649 R N 2.202 122.249 120.500 -0.754 0.000 2.829 649 R HA 0.290 4.631 4.340 0.002 0.000 0.284 649 R C -0.688 175.260 176.300 -0.587 0.000 1.006 649 R CA -0.399 55.389 56.100 -0.521 0.000 0.844 649 R CB 0.008 30.182 30.300 -0.211 0.000 1.309 649 R HN 0.367 nan 8.270 nan 0.000 0.494 650 V N 1.210 120.780 119.914 -0.574 0.000 2.250 650 V HA -0.312 3.810 4.120 0.002 0.000 0.250 650 V C 2.485 178.411 176.094 -0.279 0.000 1.060 650 V CA 2.989 65.038 62.300 -0.417 0.000 1.030 650 V CB -0.872 30.679 31.823 -0.453 0.000 0.643 650 V HN 0.899 nan 8.190 nan 0.000 0.445 651 S N -0.405 115.142 115.700 -0.255 0.000 2.447 651 S HA -0.107 4.364 4.470 0.002 0.000 0.233 651 S C 1.820 176.325 174.600 -0.159 0.000 1.006 651 S CA 1.352 59.433 58.200 -0.198 0.000 0.957 651 S CB -0.349 62.761 63.200 -0.149 0.000 0.773 651 S HN 0.384 nan 8.310 nan 0.000 0.507 652 L N 1.940 123.064 121.223 -0.166 0.000 2.095 652 L HA 0.377 4.719 4.340 0.002 0.000 0.204 652 L C 2.677 179.497 176.870 -0.083 0.000 1.080 652 L CA 1.321 56.094 54.840 -0.111 0.000 0.759 652 L CB -1.383 40.659 42.059 -0.028 0.000 0.914 652 L HN 0.296 nan 8.230 nan 0.000 0.439 653 A N -0.270 122.463 122.820 -0.145 0.000 1.903 653 A HA -0.305 4.016 4.320 0.002 0.000 0.219 653 A C 2.086 179.697 177.584 0.046 0.000 1.191 653 A CA 2.197 54.250 52.037 0.026 0.000 0.638 653 A CB -0.796 18.216 19.000 0.020 0.000 0.823 653 A HN 0.627 nan 8.150 nan 0.000 0.451 654 E N -0.379 119.828 120.200 0.013 0.000 2.219 654 E HA -0.227 4.125 4.350 0.002 0.000 0.198 654 E C 2.020 178.550 176.600 -0.118 0.000 0.998 654 E CA 1.500 57.854 56.400 -0.076 0.000 0.818 654 E CB -0.151 29.412 29.700 -0.228 0.000 0.741 654 E HN 0.666 nan 8.360 nan 0.000 0.477 655 K N 0.317 120.626 120.400 -0.151 0.000 2.029 655 K HA -0.025 4.296 4.320 0.002 0.000 0.205 655 K C 2.248 178.566 176.600 -0.470 0.000 1.042 655 K CA 0.780 56.948 56.287 -0.199 0.000 0.949 655 K CB -0.216 32.187 32.500 -0.160 0.000 0.740 655 K HN -0.033 nan 8.250 nan 0.000 0.442 656 V N 1.685 121.233 119.914 -0.609 0.000 2.548 656 V HA -0.159 3.962 4.120 0.002 0.000 0.249 656 V C 1.865 177.707 176.094 -0.421 0.000 1.055 656 V CA 1.323 63.029 62.300 -0.991 0.000 1.065 656 V CB -0.193 31.336 31.823 -0.490 0.000 0.681 656 V HN 0.260 nan 8.190 nan 0.000 0.462 657 I N 0.634 121.065 120.570 -0.230 0.000 2.113 657 I HA -0.114 4.057 4.170 0.002 0.000 0.238 657 I C -0.216 175.862 176.117 -0.064 0.000 1.070 657 I CA 1.681 62.865 61.300 -0.192 0.000 1.332 657 I CB -1.495 36.232 38.000 -0.454 0.000 1.044 657 I HN 0.336 nan 8.210 nan 0.000 0.402 658 P HA -0.159 nan 4.420 nan 0.000 0.222 658 P C 0.655 177.936 177.300 -0.032 0.000 1.142 658 P CA 1.296 64.372 63.100 -0.041 0.000 0.788 658 P CB -0.047 31.621 31.700 -0.054 0.000 0.767 659 A N -1.925 120.851 122.820 -0.074 0.000 2.379 659 A HA 0.203 4.525 4.320 0.002 0.000 0.236 659 A C 0.662 178.277 177.584 0.052 0.000 1.272 659 A CA 0.324 52.333 52.037 -0.048 0.000 0.886 659 A CB -0.529 18.414 19.000 -0.096 0.000 0.962 659 A HN 0.062 nan 8.150 nan 0.000 0.504 660 T N 0.221 114.847 114.554 0.120 0.000 2.829 660 T HA 0.324 4.676 4.350 0.002 0.000 0.282 660 T C -0.008 174.801 174.700 0.181 0.000 0.990 660 T CA -0.421 61.801 62.100 0.203 0.000 1.028 660 T CB 1.535 70.588 68.868 0.309 0.000 0.951 660 T HN 0.216 nan 8.240 nan 0.000 0.460 661 D N 0.949 121.462 120.400 0.189 0.000 2.324 661 D HA 0.127 4.769 4.640 0.002 0.000 0.212 661 D C 0.085 176.565 176.300 0.301 0.000 0.984 661 D CA 0.341 54.520 54.000 0.298 0.000 0.885 661 D CB 0.571 41.503 40.800 0.221 0.000 0.996 661 D HN 0.171 nan 8.370 nan 0.000 0.505 662 L N 0.591 121.868 121.223 0.091 0.000 2.441 662 L HA 0.302 4.644 4.340 0.002 0.000 0.270 662 L C -0.962 175.766 176.870 -0.236 0.000 0.973 662 L CA -0.544 54.281 54.840 -0.026 0.000 0.842 662 L CB 2.190 44.222 42.059 -0.045 0.000 1.239 662 L HN -0.282 nan 8.230 nan 0.000 0.406 663 S N 4.428 119.933 115.700 -0.325 0.000 2.423 663 S HA 0.401 4.873 4.470 0.002 0.000 0.317 663 S C -0.366 174.031 174.600 -0.338 0.000 1.065 663 S CA -0.660 57.160 58.200 -0.634 0.000 1.111 663 S CB 0.137 62.904 63.200 -0.722 0.000 0.968 663 S HN 0.600 nan 8.310 nan 0.000 0.474 664 E N 3.907 123.929 120.200 -0.297 0.000 2.328 664 E HA 0.094 4.445 4.350 0.002 0.000 0.265 664 E C -0.251 176.276 176.600 -0.121 0.000 1.057 664 E CA 0.142 56.460 56.400 -0.137 0.000 0.916 664 E CB 0.473 30.107 29.700 -0.110 0.000 0.993 664 E HN 0.635 nan 8.360 nan 0.000 0.446 665 Q N 2.553 122.326 119.800 -0.045 0.000 3.484 665 Q HA 0.234 4.576 4.340 0.002 0.000 0.255 665 Q C 0.078 176.057 176.000 -0.035 0.000 0.909 665 Q CA -0.140 55.634 55.803 -0.049 0.000 0.774 665 Q CB 0.053 28.763 28.738 -0.045 0.000 1.431 665 Q HN 0.536 nan 8.270 nan 0.000 0.423 666 I N -1.773 118.763 120.570 -0.056 0.000 3.176 666 I HA 0.285 4.456 4.170 0.002 0.000 0.339 666 I C 0.379 176.436 176.117 -0.100 0.000 1.505 666 I CA -0.671 60.595 61.300 -0.056 0.000 0.969 666 I CB 0.702 38.687 38.000 -0.025 0.000 1.636 666 I HN -0.019 nan 8.210 nan 0.000 0.523 667 S N -0.203 115.447 115.700 -0.084 0.000 2.576 667 S HA 0.276 4.747 4.470 0.002 0.000 0.272 667 S C 0.607 175.184 174.600 -0.038 0.000 1.352 667 S CA -0.349 57.828 58.200 -0.039 0.000 1.021 667 S CB 0.078 63.324 63.200 0.078 0.000 0.887 667 S HN 0.436 nan 8.310 nan 0.000 0.542 668 T N 2.394 116.957 114.554 0.015 0.000 2.928 668 T HA 0.419 4.770 4.350 0.002 0.000 0.305 668 T C 0.743 175.444 174.700 0.002 0.000 1.035 668 T CA 0.137 62.250 62.100 0.023 0.000 1.145 668 T CB 0.110 69.063 68.868 0.142 0.000 0.963 668 T HN 0.986 nan 8.240 nan 0.000 0.545 669 A N 2.112 124.906 122.820 -0.042 0.000 2.531 669 A HA 0.496 4.817 4.320 0.002 0.000 0.236 669 A C 1.666 179.240 177.584 -0.017 0.000 1.062 669 A CA 0.242 52.252 52.037 -0.046 0.000 0.760 669 A CB -0.816 18.146 19.000 -0.063 0.000 0.995 669 A HN 1.699 nan 8.150 nan 0.000 0.501 670 G N 0.594 109.381 108.800 -0.021 0.000 2.234 670 G HA2 -0.277 3.684 3.960 0.002 0.000 0.235 670 G HA3 -0.277 3.684 3.960 0.002 0.000 0.235 670 G C 1.046 175.923 174.900 -0.038 0.000 0.997 670 G CA 1.207 46.297 45.100 -0.017 0.000 0.623 670 G HN 2.051 nan 8.290 nan 0.000 0.514 671 T N -2.140 112.380 114.554 -0.056 0.000 3.037 671 T HA 0.450 4.802 4.350 0.002 0.000 0.251 671 T C 0.654 175.131 174.700 -0.372 0.000 1.079 671 T CA 1.246 63.230 62.100 -0.194 0.000 1.067 671 T CB 0.683 69.478 68.868 -0.122 0.000 0.948 671 T HN 0.364 nan 8.240 nan 0.000 0.496 672 E N 0.918 121.031 120.200 -0.143 0.000 2.073 672 E HA 0.720 5.071 4.350 0.002 0.000 0.269 672 E C 1.054 177.570 176.600 -0.142 0.000 0.917 672 E CA -0.137 56.217 56.400 -0.076 0.000 0.757 672 E CB 0.953 30.697 29.700 0.073 0.000 1.111 672 E HN 0.214 nan 8.360 nan 0.000 0.410 673 A N 3.440 126.109 122.820 -0.252 0.000 1.869 673 A HA -0.247 4.074 4.320 0.002 0.000 0.218 673 A C 1.941 179.359 177.584 -0.277 0.000 1.203 673 A CA 2.579 54.319 52.037 -0.495 0.000 0.638 673 A CB -0.417 18.161 19.000 -0.704 0.000 0.831 673 A HN 0.628 nan 8.150 nan 0.000 0.450 674 S N -3.948 111.669 115.700 -0.139 0.000 3.770 674 S HA 0.449 4.920 4.470 0.002 0.000 0.238 674 S C 0.799 175.374 174.600 -0.042 0.000 1.143 674 S CA 1.391 59.563 58.200 -0.047 0.000 0.869 674 S CB -0.212 62.989 63.200 0.001 0.000 1.057 674 S HN 2.374 nan 8.310 nan 0.000 0.507 675 G N 0.295 109.072 108.800 -0.038 0.000 2.716 675 G HA2 -0.057 3.904 3.960 0.002 0.000 0.686 675 G HA3 -0.057 3.904 3.960 0.002 0.000 0.686 675 G C 0.293 175.149 174.900 -0.073 0.000 1.337 675 G CA 0.451 45.524 45.100 -0.045 0.000 0.829 675 G HN 1.390 nan 8.290 nan 0.000 0.599 676 T N -1.992 112.503 114.554 -0.099 0.000 3.048 676 T HA 0.385 4.737 4.350 0.002 0.000 0.254 676 T C 2.496 177.056 174.700 -0.232 0.000 0.942 676 T CA 1.331 63.336 62.100 -0.159 0.000 0.931 676 T CB -0.003 68.770 68.868 -0.158 0.000 1.220 676 T HN 1.970 nan 8.240 nan 0.000 0.503 677 G N 3.814 112.502 108.800 -0.187 0.000 2.529 677 G HA2 -0.384 3.577 3.960 0.002 0.000 0.219 677 G HA3 -0.384 3.577 3.960 0.002 0.000 0.219 677 G C 1.579 176.447 174.900 -0.052 0.000 1.177 677 G CA 1.731 46.725 45.100 -0.176 0.000 0.773 677 G HN 0.703 nan 8.290 nan 0.000 0.573 678 N N 1.294 119.993 118.700 -0.002 0.000 2.049 678 N HA -0.258 4.483 4.740 0.002 0.000 0.198 678 N C 2.110 177.573 175.510 -0.079 0.000 1.030 678 N CA 2.443 55.495 53.050 0.002 0.000 0.870 678 N CB -0.970 37.462 38.487 -0.091 0.000 1.045 678 N HN 0.463 nan 8.380 nan 0.000 0.434 679 M N 0.480 119.944 119.600 -0.226 0.000 2.080 679 M HA -0.111 4.371 4.480 0.002 0.000 0.260 679 M C 2.084 178.280 176.300 -0.175 0.000 1.068 679 M CA 1.959 57.093 55.300 -0.277 0.000 1.109 679 M CB -0.411 32.021 32.600 -0.281 0.000 1.342 679 M HN 0.191 nan 8.290 nan 0.000 0.405 680 K N -0.193 120.039 120.400 -0.279 0.000 2.097 680 K HA -0.100 4.221 4.320 0.002 0.000 0.206 680 K C 1.676 178.114 176.600 -0.271 0.000 1.049 680 K CA 1.280 57.355 56.287 -0.354 0.000 0.933 680 K CB -0.342 31.724 32.500 -0.724 0.000 0.717 680 K HN 0.127 nan 8.250 nan 0.000 0.442 681 F N 1.242 121.118 119.950 -0.124 0.000 2.186 681 F HA -0.071 4.457 4.527 0.002 0.000 0.299 681 F C 2.497 178.269 175.800 -0.047 0.000 1.090 681 F CA 1.118 59.074 58.000 -0.072 0.000 1.307 681 F CB -0.357 38.598 39.000 -0.075 0.000 1.019 681 F HN -0.020 nan 8.300 nan 0.000 0.489 682 M N -0.523 119.142 119.600 0.108 0.000 2.117 682 M HA -0.182 4.300 4.480 0.002 0.000 0.262 682 M C 2.118 178.452 176.300 0.057 0.000 1.065 682 M CA 1.609 56.944 55.300 0.058 0.000 1.114 682 M CB -0.263 32.337 32.600 0.000 0.000 1.361 682 M HN 0.240 nan 8.290 nan 0.000 0.408 683 L N 0.905 122.156 121.223 0.046 0.000 2.201 683 L HA -0.079 4.262 4.340 0.002 0.000 0.212 683 L C 1.362 178.259 176.870 0.045 0.000 1.105 683 L CA 1.710 56.583 54.840 0.055 0.000 0.775 683 L CB -0.770 41.330 42.059 0.068 0.000 0.913 683 L HN 0.378 nan 8.230 nan 0.000 0.440 684 N N 0.008 118.735 118.700 0.045 0.000 2.314 684 N HA 0.131 4.872 4.740 0.002 0.000 0.200 684 N C 0.746 176.290 175.510 0.056 0.000 1.135 684 N CA 0.770 53.845 53.050 0.042 0.000 0.835 684 N CB 0.310 38.810 38.487 0.022 0.000 0.989 684 N HN 0.470 nan 8.380 nan 0.000 0.478 685 G N 0.617 109.454 108.800 0.061 0.000 2.165 685 G HA2 -0.188 3.773 3.960 0.002 0.000 0.226 685 G HA3 -0.188 3.773 3.960 0.002 0.000 0.226 685 G C -0.058 174.907 174.900 0.109 0.000 1.035 685 G CA 0.107 45.245 45.100 0.062 0.000 0.744 685 G HN 0.500 nan 8.290 nan 0.000 0.501 686 A N -0.374 122.523 122.820 0.129 0.000 2.320 686 A HA 0.895 5.216 4.320 0.002 0.000 0.334 686 A C 0.326 177.943 177.584 0.054 0.000 1.147 686 A CA -0.669 51.453 52.037 0.143 0.000 0.820 686 A CB 1.071 20.184 19.000 0.188 0.000 1.218 686 A HN 0.737 nan 8.150 nan 0.000 0.482 687 L N 1.033 122.263 121.223 0.010 0.000 2.357 687 L HA 0.438 4.779 4.340 0.002 0.000 0.273 687 L C 0.037 176.908 176.870 0.002 0.000 1.080 687 L CA -0.371 54.434 54.840 -0.059 0.000 0.803 687 L CB 1.704 43.604 42.059 -0.264 0.000 1.174 687 L HN 0.718 nan 8.230 nan 0.000 0.443 688 T N 3.522 118.105 114.554 0.048 0.000 2.794 688 T HA 0.460 4.812 4.350 0.002 0.000 0.280 688 T C -0.304 174.472 174.700 0.126 0.000 0.987 688 T CA -0.280 61.839 62.100 0.032 0.000 0.993 688 T CB 1.752 70.629 68.868 0.016 0.000 0.939 688 T HN 0.368 nan 8.240 nan 0.000 0.449 689 I N 2.849 123.469 120.570 0.083 0.000 2.382 689 I HA 0.695 4.866 4.170 0.002 0.000 0.286 689 I C 0.066 176.342 176.117 0.266 0.000 1.002 689 I CA 0.057 61.475 61.300 0.196 0.000 1.135 689 I CB 0.360 38.400 38.000 0.067 0.000 1.288 689 I HN 0.829 nan 8.210 nan 0.000 0.448 690 G N 4.253 113.248 108.800 0.326 0.000 2.554 690 G HA2 0.408 4.369 3.960 0.002 0.000 0.306 690 G HA3 0.408 4.369 3.960 0.002 0.000 0.306 690 G C -0.899 173.844 174.900 -0.261 0.000 1.320 690 G CA -0.228 44.964 45.100 0.154 0.000 0.800 690 G HN 0.548 nan 8.290 nan 0.000 0.481 691 T N -1.670 112.642 114.554 -0.403 0.000 2.881 691 T HA 0.549 4.900 4.350 0.002 0.000 0.278 691 T C 0.612 175.170 174.700 -0.236 0.000 0.982 691 T CA -0.665 61.138 62.100 -0.496 0.000 0.989 691 T CB 1.219 69.814 68.868 -0.456 0.000 1.058 691 T HN 0.270 nan 8.240 nan 0.000 0.529 692 M N 3.041 122.525 119.600 -0.193 0.000 3.042 692 M HA 0.343 4.825 4.480 0.002 0.000 0.283 692 M C -0.464 175.787 176.300 -0.082 0.000 1.473 692 M CA 0.123 55.361 55.300 -0.103 0.000 1.583 692 M CB -1.860 30.693 32.600 -0.079 0.000 1.221 692 M HN 0.808 nan 8.290 nan 0.000 0.518 693 D N 0.285 120.642 120.400 -0.072 0.000 2.736 693 D HA 0.627 5.269 4.640 0.002 0.000 0.223 693 D C 0.485 176.763 176.300 -0.036 0.000 1.231 693 D CA 0.804 54.773 54.000 -0.052 0.000 0.818 693 D CB 1.469 42.231 40.800 -0.063 0.000 1.587 693 D HN 0.611 nan 8.370 nan 0.000 0.463 694 G N 1.466 110.253 108.800 -0.021 0.000 2.602 694 G HA2 -0.170 3.791 3.960 0.002 0.000 0.306 694 G HA3 -0.170 3.791 3.960 0.002 0.000 0.306 694 G C 1.027 175.928 174.900 0.001 0.000 1.301 694 G CA 1.019 46.109 45.100 -0.016 0.000 0.974 694 G HN 1.234 nan 8.290 nan 0.000 0.547 695 A N -0.329 122.484 122.820 -0.011 0.000 2.206 695 A HA 0.125 4.446 4.320 0.002 0.000 0.211 695 A C 2.086 179.643 177.584 -0.045 0.000 1.158 695 A CA 1.744 53.784 52.037 0.005 0.000 0.761 695 A CB -0.441 18.549 19.000 -0.017 0.000 0.801 695 A HN 0.608 nan 8.150 nan 0.000 0.473 696 N N 0.489 119.153 118.700 -0.060 0.000 2.137 696 N HA -0.152 4.589 4.740 0.002 0.000 0.190 696 N C 1.611 177.107 175.510 -0.022 0.000 1.017 696 N CA 1.584 54.595 53.050 -0.066 0.000 0.859 696 N CB -0.574 37.876 38.487 -0.062 0.000 1.002 696 N HN 0.285 nan 8.380 nan 0.000 0.428 697 V N 1.315 121.228 119.914 -0.002 0.000 2.287 697 V HA -0.229 3.892 4.120 0.002 0.000 0.248 697 V C 1.949 178.083 176.094 0.066 0.000 1.053 697 V CA 1.732 64.044 62.300 0.020 0.000 1.027 697 V CB -0.532 31.302 31.823 0.019 0.000 0.646 697 V HN 0.358 nan 8.190 nan 0.000 0.447 698 E N -0.587 119.684 120.200 0.118 0.000 2.204 698 E HA -0.171 4.180 4.350 0.002 0.000 0.194 698 E C 2.193 179.005 176.600 0.354 0.000 0.989 698 E CA 1.107 57.642 56.400 0.225 0.000 0.824 698 E CB -0.218 29.661 29.700 0.298 0.000 0.756 698 E HN 0.560 nan 8.360 nan 0.000 0.477 699 M N 0.391 120.140 119.600 0.248 0.000 2.117 699 M HA -0.177 4.305 4.480 0.002 0.000 0.262 699 M C 2.486 178.866 176.300 0.134 0.000 1.065 699 M CA 1.598 57.009 55.300 0.185 0.000 1.114 699 M CB -0.219 32.334 32.600 -0.078 0.000 1.361 699 M HN 0.157 nan 8.290 nan 0.000 0.408 700 A N 0.356 123.218 122.820 0.070 0.000 1.902 700 A HA -0.174 4.147 4.320 0.002 0.000 0.217 700 A C 1.909 179.521 177.584 0.046 0.000 1.181 700 A CA 1.729 53.788 52.037 0.037 0.000 0.623 700 A CB -0.681 18.325 19.000 0.011 0.000 0.818 700 A HN 0.555 nan 8.150 nan 0.000 0.443 701 E N -0.187 120.050 120.200 0.062 0.000 2.023 701 E HA -0.212 4.139 4.350 0.002 0.000 0.196 701 E C 1.984 178.613 176.600 0.048 0.000 1.003 701 E CA 1.232 57.659 56.400 0.045 0.000 0.809 701 E CB -0.267 29.459 29.700 0.043 0.000 0.755 701 E HN 0.500 nan 8.360 nan 0.000 0.449 702 E N 0.457 120.706 120.200 0.083 0.000 2.070 702 E HA -0.198 4.153 4.350 0.002 0.000 0.197 702 E C 1.818 178.468 176.600 0.084 0.000 1.004 702 E CA 1.581 58.028 56.400 0.078 0.000 0.805 702 E CB -0.241 29.532 29.700 0.123 0.000 0.744 702 E HN 0.305 nan 8.360 nan 0.000 0.451 703 A N -0.222 122.652 122.820 0.090 0.000 2.303 703 A HA 0.445 4.767 4.320 0.002 0.000 0.217 703 A C 0.898 178.499 177.584 0.029 0.000 1.205 703 A CA 0.824 52.906 52.037 0.075 0.000 0.875 703 A CB 0.255 19.298 19.000 0.072 0.000 0.910 703 A HN 0.250 nan 8.150 nan 0.000 0.501 704 G N -0.276 108.533 108.800 0.016 0.000 3.019 704 G HA2 -0.161 3.801 3.960 0.002 0.000 0.686 704 G HA3 -0.161 3.801 3.960 0.002 0.000 0.686 704 G C 0.153 175.034 174.900 -0.031 0.000 1.056 704 G CA 0.158 45.252 45.100 -0.011 0.000 0.774 704 G HN 0.346 nan 8.290 nan 0.000 0.583 705 E N 0.737 120.916 120.200 -0.035 0.000 2.118 705 E HA -0.211 4.140 4.350 0.002 0.000 0.195 705 E C 2.505 179.046 176.600 -0.097 0.000 0.992 705 E CA 1.624 57.993 56.400 -0.052 0.000 0.804 705 E CB 0.004 29.682 29.700 -0.036 0.000 0.741 705 E HN 0.718 nan 8.360 nan 0.000 0.458 706 E N 0.591 120.735 120.200 -0.093 0.000 2.208 706 E HA -0.260 4.091 4.350 0.002 0.000 0.202 706 E C 0.992 177.468 176.600 -0.206 0.000 1.014 706 E CA 1.259 57.581 56.400 -0.129 0.000 0.819 706 E CB -0.464 29.181 29.700 -0.092 0.000 0.735 706 E HN 0.289 nan 8.360 nan 0.000 0.469 707 N N 0.056 118.650 118.700 -0.177 0.000 2.236 707 N HA 0.178 4.919 4.740 0.002 0.000 0.196 707 N C -0.234 175.134 175.510 -0.237 0.000 1.114 707 N CA 0.033 52.958 53.050 -0.208 0.000 0.859 707 N CB 0.494 38.916 38.487 -0.108 0.000 0.982 707 N HN 0.093 nan 8.380 nan 0.000 0.493 708 L N -0.435 120.651 121.223 -0.228 0.000 2.303 708 L HA 0.464 4.805 4.340 0.002 0.000 0.266 708 L C -0.492 176.206 176.870 -0.286 0.000 1.011 708 L CA -0.602 54.139 54.840 -0.165 0.000 0.818 708 L CB 1.105 43.143 42.059 -0.036 0.000 1.326 708 L HN -0.137 nan 8.230 nan 0.000 0.435 709 F N 3.037 122.981 119.950 -0.010 0.000 2.425 709 F HA 0.375 4.903 4.527 0.002 0.000 0.354 709 F C -0.018 175.864 175.800 0.137 0.000 1.162 709 F CA -0.398 57.626 58.000 0.039 0.000 1.250 709 F CB -0.086 38.920 39.000 0.009 0.000 1.579 709 F HN 0.023 nan 8.300 nan 0.000 0.589 710 I N 3.830 124.516 120.570 0.194 0.000 2.440 710 I HA 0.416 4.587 4.170 0.002 0.000 0.294 710 I C -0.086 176.184 176.117 0.255 0.000 0.995 710 I CA -0.693 60.704 61.300 0.161 0.000 1.306 710 I CB 0.823 38.842 38.000 0.032 0.000 1.407 710 I HN 0.369 nan 8.210 nan 0.000 0.501 711 F N 2.059 122.040 119.950 0.053 0.000 2.711 711 F HA 0.867 5.395 4.527 0.002 0.000 0.313 711 F C -0.072 175.754 175.800 0.045 0.000 1.141 711 F CA -0.464 57.569 58.000 0.055 0.000 0.941 711 F CB 1.379 40.427 39.000 0.081 0.000 1.349 711 F HN 0.821 nan 8.300 nan 0.000 0.464 712 G N 0.816 109.648 108.800 0.053 0.000 2.655 712 G HA2 0.023 3.984 3.960 0.002 0.000 0.680 712 G HA3 0.023 3.984 3.960 0.002 0.000 0.680 712 G C -1.170 173.704 174.900 -0.044 0.000 1.302 712 G CA -0.703 44.377 45.100 -0.034 0.000 0.872 712 G HN 0.927 nan 8.290 nan 0.000 0.540 713 M N 0.367 119.949 119.600 -0.029 0.000 2.239 713 M HA 0.401 4.883 4.480 0.002 0.000 0.348 713 M C 1.118 177.381 176.300 -0.062 0.000 1.239 713 M CA 0.312 55.599 55.300 -0.021 0.000 1.114 713 M CB 0.560 33.155 32.600 -0.008 0.000 1.641 713 M HN 0.569 nan 8.290 nan 0.000 0.453 714 R N 1.266 121.743 120.500 -0.039 0.000 2.541 714 R HA 0.413 4.754 4.340 0.002 0.000 0.254 714 R C 1.253 177.534 176.300 -0.031 0.000 1.130 714 R CA -0.393 55.681 56.100 -0.043 0.000 1.152 714 R CB 0.523 30.806 30.300 -0.029 0.000 1.222 714 R HN 0.673 nan 8.270 nan 0.000 0.579 715 I N 0.956 121.510 120.570 -0.027 0.000 2.194 715 I HA -0.361 3.811 4.170 0.002 0.000 0.246 715 I C 1.077 177.186 176.117 -0.014 0.000 1.093 715 I CA 1.440 62.728 61.300 -0.021 0.000 1.355 715 I CB -0.309 37.680 38.000 -0.018 0.000 1.046 715 I HN 0.578 nan 8.210 nan 0.000 0.413 716 D N 1.073 121.468 120.400 -0.009 0.000 2.104 716 D HA -0.199 4.442 4.640 0.002 0.000 0.194 716 D C 1.676 177.979 176.300 0.006 0.000 0.994 716 D CA 1.493 55.492 54.000 -0.001 0.000 0.830 716 D CB -0.563 40.238 40.800 0.002 0.000 0.959 716 D HN 0.389 nan 8.370 nan 0.000 0.452 717 D N 0.712 121.117 120.400 0.008 0.000 2.158 717 D HA -0.111 4.530 4.640 0.002 0.000 0.197 717 D C 2.328 178.637 176.300 0.016 0.000 0.995 717 D CA 0.437 54.449 54.000 0.020 0.000 0.846 717 D CB -0.224 40.590 40.800 0.024 0.000 0.941 717 D HN 0.123 nan 8.370 nan 0.000 0.456 718 V N 1.599 121.510 119.914 -0.005 0.000 2.270 718 V HA -0.218 3.904 4.120 0.002 0.000 0.245 718 V C 2.632 178.719 176.094 -0.011 0.000 1.043 718 V CA 1.741 64.028 62.300 -0.022 0.000 1.014 718 V CB -0.816 30.986 31.823 -0.035 0.000 0.645 718 V HN 0.184 nan 8.190 nan 0.000 0.447 719 A N 0.240 123.057 122.820 -0.005 0.000 1.873 719 A HA -0.220 4.102 4.320 0.002 0.000 0.218 719 A C 2.445 180.039 177.584 0.015 0.000 1.193 719 A CA 2.491 54.528 52.037 0.001 0.000 0.629 719 A CB -1.055 17.944 19.000 -0.001 0.000 0.826 719 A HN 0.612 nan 8.150 nan 0.000 0.447 720 A N -1.005 121.828 122.820 0.022 0.000 1.986 720 A HA -0.091 4.230 4.320 0.002 0.000 0.220 720 A C 2.113 179.729 177.584 0.052 0.000 1.171 720 A CA 1.890 53.948 52.037 0.035 0.000 0.640 720 A CB -0.523 18.498 19.000 0.036 0.000 0.811 720 A HN 0.699 nan 8.150 nan 0.000 0.451 721 L N -0.329 120.929 121.223 0.058 0.000 2.240 721 L HA -0.041 4.300 4.340 0.002 0.000 0.211 721 L C 1.522 178.448 176.870 0.094 0.000 1.106 721 L CA 1.909 56.806 54.840 0.095 0.000 0.793 721 L CB -0.478 41.645 42.059 0.106 0.000 0.927 721 L HN 0.331 nan 8.230 nan 0.000 0.446 722 D N -0.451 119.980 120.400 0.051 0.000 2.097 722 D HA -0.180 4.461 4.640 0.002 0.000 0.197 722 D C 1.948 178.278 176.300 0.051 0.000 0.984 722 D CA 0.838 54.866 54.000 0.047 0.000 0.826 722 D CB 0.066 40.875 40.800 0.015 0.000 0.973 722 D HN 0.305 nan 8.370 nan 0.000 0.460 723 K N 0.927 121.352 120.400 0.041 0.000 1.980 723 K HA -0.248 4.074 4.320 0.002 0.000 0.223 723 K C 2.132 178.761 176.600 0.048 0.000 1.052 723 K CA 2.020 58.330 56.287 0.038 0.000 0.974 723 K CB -0.168 32.351 32.500 0.032 0.000 0.734 723 K HN 0.009 nan 8.250 nan 0.000 0.447 724 K N -0.390 120.044 120.400 0.057 0.000 2.147 724 K HA -0.087 4.235 4.320 0.002 0.000 0.205 724 K C 0.263 176.907 176.600 0.073 0.000 1.049 724 K CA 1.516 57.840 56.287 0.061 0.000 0.936 724 K CB -0.141 32.398 32.500 0.064 0.000 0.722 724 K HN 0.390 nan 8.250 nan 0.000 0.446 725 G N 0.112 108.970 108.800 0.097 0.000 3.444 725 G HA2 -0.186 3.775 3.960 0.002 0.000 0.685 725 G HA3 -0.186 3.775 3.960 0.002 0.000 0.685 725 G C -1.487 173.517 174.900 0.173 0.000 1.145 725 G CA -0.355 44.814 45.100 0.114 0.000 0.973 725 G HN 0.360 nan 8.290 nan 0.000 0.525 726 Y N 3.061 123.393 120.300 0.052 0.000 2.531 726 Y HA 0.483 5.034 4.550 0.002 0.000 0.347 726 Y C 0.242 176.187 175.900 0.073 0.000 1.024 726 Y CA -0.579 57.565 58.100 0.074 0.000 1.306 726 Y CB 0.746 39.222 38.460 0.027 0.000 1.149 726 Y HN 0.446 nan 8.280 nan 0.000 0.527 727 E N 6.070 126.160 120.200 -0.184 0.000 2.063 727 E HA 0.300 4.651 4.350 0.002 0.000 0.265 727 E C 0.712 177.056 176.600 -0.426 0.000 0.919 727 E CA 0.002 56.239 56.400 -0.272 0.000 0.756 727 E CB 1.410 31.073 29.700 -0.062 0.000 1.120 727 E HN 0.873 nan 8.360 nan 0.000 0.414 728 A N 3.938 126.263 122.820 -0.826 0.000 1.903 728 A HA -0.324 3.998 4.320 0.002 0.000 0.219 728 A C 2.089 179.673 177.584 -0.000 0.000 1.191 728 A CA 2.164 53.820 52.037 -0.634 0.000 0.638 728 A CB -0.266 18.239 19.000 -0.824 0.000 0.823 728 A HN 0.437 nan 8.150 nan 0.000 0.451 729 K N 0.027 120.462 120.400 0.058 0.000 2.052 729 K HA -0.252 4.070 4.320 0.002 0.000 0.215 729 K C 1.838 178.610 176.600 0.287 0.000 1.053 729 K CA 2.367 58.837 56.287 0.306 0.000 0.934 729 K CB -0.458 32.177 32.500 0.225 0.000 0.717 729 K HN 0.665 nan 8.250 nan 0.000 0.450 730 E N -1.331 118.965 120.200 0.159 0.000 2.114 730 E HA -0.251 4.101 4.350 0.002 0.000 0.199 730 E C 2.008 178.636 176.600 0.045 0.000 1.008 730 E CA 1.914 58.347 56.400 0.054 0.000 0.810 730 E CB -0.271 29.380 29.700 -0.083 0.000 0.739 730 E HN 0.467 nan 8.360 nan 0.000 0.456 731 Y N -1.279 119.092 120.300 0.118 0.000 2.314 731 Y HA -0.175 4.376 4.550 0.002 0.000 0.293 731 Y C 2.076 177.973 175.900 -0.005 0.000 1.129 731 Y CA 1.107 59.260 58.100 0.089 0.000 1.201 731 Y CB -0.443 38.113 38.460 0.161 0.000 0.999 731 Y HN 0.194 nan 8.280 nan 0.000 0.541 732 Y N 1.405 121.731 120.300 0.043 0.000 2.314 732 Y HA -0.148 4.404 4.550 0.003 0.000 0.293 732 Y C 1.927 177.821 175.900 -0.010 0.000 1.129 732 Y CA 1.461 59.504 58.100 -0.094 0.000 1.201 732 Y CB -0.032 38.453 38.460 0.040 0.000 0.999 732 Y HN 0.131 nan 8.280 nan 0.000 0.541 733 E N 0.202 120.438 120.200 0.059 0.000 2.112 733 E HA -0.058 4.294 4.350 0.002 0.000 0.190 733 E C 2.294 178.847 176.600 -0.078 0.000 0.979 733 E CA 0.931 57.305 56.400 -0.043 0.000 0.814 733 E CB -0.486 29.255 29.700 0.068 0.000 0.762 733 E HN 0.524 nan 8.360 nan 0.000 0.460 734 A N 1.304 124.103 122.820 -0.035 0.000 2.066 734 A HA 0.063 4.384 4.320 0.002 0.000 0.218 734 A C 1.176 178.744 177.584 -0.027 0.000 1.157 734 A CA 0.457 52.474 52.037 -0.033 0.000 0.670 734 A CB -0.184 18.790 19.000 -0.043 0.000 0.804 734 A HN 0.094 nan 8.150 nan 0.000 0.453 735 L N -0.781 120.412 121.223 -0.049 0.000 2.372 735 L HA 0.360 4.701 4.340 0.002 0.000 0.273 735 L C -2.167 174.641 176.870 -0.103 0.000 0.989 735 L CA -1.788 53.038 54.840 -0.023 0.000 0.841 735 L CB 2.168 44.269 42.059 0.071 0.000 1.225 735 L HN -0.061 nan 8.230 nan 0.000 0.414 736 P HA -0.074 nan 4.420 nan 0.000 0.219 736 P C 1.027 178.263 177.300 -0.107 0.000 1.150 736 P CA 0.961 63.992 63.100 -0.114 0.000 0.814 736 P CB 0.445 32.101 31.700 -0.072 0.000 0.787 737 E N -0.461 119.717 120.200 -0.036 0.000 2.077 737 E HA -0.163 4.188 4.350 0.002 0.000 0.193 737 E C 1.886 178.442 176.600 -0.074 0.000 0.989 737 E CA 0.770 57.171 56.400 0.002 0.000 0.800 737 E CB -0.739 29.034 29.700 0.122 0.000 0.746 737 E HN 0.100 nan 8.360 nan 0.000 0.452 738 L N 1.991 123.085 121.223 -0.216 0.000 2.079 738 L HA -0.206 4.135 4.340 0.002 0.000 0.210 738 L C 2.165 178.831 176.870 -0.341 0.000 1.081 738 L CA 1.833 56.352 54.840 -0.534 0.000 0.752 738 L CB -0.370 41.204 42.059 -0.808 0.000 0.896 738 L HN -0.078 nan 8.230 nan 0.000 0.433 739 K N -0.503 119.685 120.400 -0.353 0.000 2.026 739 K HA -0.193 4.129 4.320 0.002 0.000 0.208 739 K C 2.186 178.700 176.600 -0.144 0.000 1.048 739 K CA 1.851 57.855 56.287 -0.472 0.000 0.929 739 K CB -0.561 31.573 32.500 -0.610 0.000 0.713 739 K HN 0.363 nan 8.250 nan 0.000 0.439 740 L N 1.325 122.478 121.223 -0.118 0.000 2.012 740 L HA -0.160 4.181 4.340 0.002 0.000 0.210 740 L C 2.287 179.159 176.870 0.004 0.000 1.073 740 L CA 1.438 56.242 54.840 -0.060 0.000 0.748 740 L CB -0.679 41.332 42.059 -0.080 0.000 0.891 740 L HN -0.058 nan 8.230 nan 0.000 0.431 741 V N -0.099 119.825 119.914 0.018 0.000 2.287 741 V HA -0.321 3.800 4.120 0.002 0.000 0.248 741 V C 2.538 178.716 176.094 0.141 0.000 1.053 741 V CA 1.863 64.220 62.300 0.095 0.000 1.027 741 V CB -0.656 31.193 31.823 0.042 0.000 0.646 741 V HN 0.379 nan 8.190 nan 0.000 0.447 742 I N 0.199 120.846 120.570 0.129 0.000 2.179 742 I HA -0.203 3.968 4.170 0.002 0.000 0.242 742 I C 2.342 178.614 176.117 0.259 0.000 1.088 742 I CA 1.694 63.136 61.300 0.238 0.000 1.357 742 I CB -1.473 36.753 38.000 0.376 0.000 1.051 742 I HN 0.343 nan 8.210 nan 0.000 0.409 743 D N 0.633 121.182 120.400 0.248 0.000 2.104 743 D HA -0.211 4.430 4.640 0.002 0.000 0.194 743 D C 2.267 178.654 176.300 0.145 0.000 0.994 743 D CA 1.147 55.257 54.000 0.184 0.000 0.830 743 D CB -0.281 40.593 40.800 0.125 0.000 0.959 743 D HN 0.423 nan 8.370 nan 0.000 0.452 744 Q N -0.219 119.651 119.800 0.116 0.000 2.135 744 Q HA -0.120 4.221 4.340 0.002 0.000 0.204 744 Q C 2.371 178.543 176.000 0.286 0.000 0.981 744 Q CA 0.927 56.802 55.803 0.120 0.000 0.856 744 Q CB -0.019 28.756 28.738 0.063 0.000 0.902 744 Q HN 0.373 nan 8.270 nan 0.000 0.425 745 I N -0.259 120.512 120.570 0.335 0.000 2.333 745 I HA -0.183 3.989 4.170 0.002 0.000 0.246 745 I C 1.743 178.073 176.117 0.355 0.000 1.106 745 I CA 0.972 62.496 61.300 0.374 0.000 1.411 745 I CB -0.016 38.115 38.000 0.218 0.000 1.082 745 I HN 0.134 nan 8.210 nan 0.000 0.420 746 D N 0.658 121.223 120.400 0.274 0.000 2.277 746 D HA -0.101 4.540 4.640 0.002 0.000 0.208 746 D C 1.268 177.683 176.300 0.191 0.000 0.962 746 D CA 0.881 55.021 54.000 0.233 0.000 0.865 746 D CB 0.135 41.046 40.800 0.185 0.000 0.939 746 D HN 0.124 nan 8.370 nan 0.000 0.510 747 N N -0.608 118.202 118.700 0.185 0.000 2.273 747 N HA 0.190 4.931 4.740 0.002 0.000 0.231 747 N C 0.818 176.420 175.510 0.154 0.000 1.134 747 N CA 0.601 53.736 53.050 0.141 0.000 0.856 747 N CB 1.137 39.690 38.487 0.110 0.000 1.068 747 N HN 0.219 nan 8.380 nan 0.000 0.510 748 G N 1.151 110.074 108.800 0.205 0.000 2.155 748 G HA2 -0.365 3.596 3.960 0.002 0.000 0.257 748 G HA3 -0.365 3.596 3.960 0.002 0.000 0.257 748 G C 0.710 175.693 174.900 0.138 0.000 0.983 748 G CA 0.310 45.522 45.100 0.187 0.000 0.676 748 G HN 0.424 nan 8.290 nan 0.000 0.528 749 F N 0.126 120.048 119.950 -0.045 0.000 2.271 749 F HA 0.096 4.625 4.527 0.002 0.000 0.302 749 F C 1.619 177.187 175.800 -0.386 0.000 1.063 749 F CA 1.800 59.639 58.000 -0.268 0.000 1.362 749 F CB -0.104 38.633 39.000 -0.440 0.000 1.060 749 F HN 0.186 nan 8.300 nan 0.000 0.521 750 F N -0.580 119.376 119.950 0.010 0.000 2.654 750 F HA 0.240 4.768 4.527 0.002 0.000 0.303 750 F C 0.649 176.497 175.800 0.080 0.000 1.099 750 F CA 0.153 58.119 58.000 -0.057 0.000 1.270 750 F CB -0.151 38.840 39.000 -0.015 0.000 1.024 750 F HN -0.014 nan 8.300 nan 0.000 0.548 751 S N -2.630 113.176 115.700 0.176 0.000 2.530 751 S HA 0.205 4.676 4.470 0.002 0.000 0.203 751 S C -2.340 172.280 174.600 0.033 0.000 0.787 751 S CA -0.602 57.665 58.200 0.111 0.000 1.015 751 S CB 0.089 63.355 63.200 0.109 0.000 1.687 751 S HN -0.128 nan 8.310 nan 0.000 0.484 752 P HA -0.115 nan 4.420 nan 0.000 0.220 752 P C 1.023 178.323 177.300 0.000 0.000 1.144 752 P CA 1.294 64.391 63.100 -0.005 0.000 0.800 752 P CB -0.016 31.664 31.700 -0.033 0.000 0.772 753 K N -1.444 118.953 120.400 -0.005 0.000 2.305 753 K HA 0.024 4.346 4.320 0.002 0.000 0.199 753 K C 0.396 176.993 176.600 -0.005 0.000 1.047 753 K CA 0.742 57.027 56.287 -0.003 0.000 0.976 753 K CB 0.044 32.543 32.500 -0.001 0.000 0.765 753 K HN 0.182 nan 8.250 nan 0.000 0.474 754 Q N -0.192 119.598 119.800 -0.017 0.000 2.674 754 Q HA 0.171 4.513 4.340 0.002 0.000 0.249 754 Q C -2.335 173.655 176.000 -0.017 0.000 1.011 754 Q CA -1.657 54.130 55.803 -0.026 0.000 0.734 754 Q CB 1.585 30.290 28.738 -0.054 0.000 1.201 754 Q HN -0.127 nan 8.270 nan 0.000 0.498 755 P HA -0.178 nan 4.420 nan 0.000 0.217 755 P C -0.324 177.019 177.300 0.071 0.000 1.148 755 P CA 1.326 64.459 63.100 0.054 0.000 0.828 755 P CB 0.327 32.057 31.700 0.051 0.000 0.783 756 D N -2.324 118.099 120.400 0.039 0.000 2.463 756 D HA 0.073 4.714 4.640 0.002 0.000 0.224 756 D C 1.346 177.654 176.300 0.012 0.000 1.174 756 D CA -0.291 53.742 54.000 0.055 0.000 0.829 756 D CB -0.484 40.353 40.800 0.062 0.000 0.993 756 D HN -0.100 nan 8.370 nan 0.000 0.497 757 L N -0.055 121.110 121.223 -0.096 0.000 2.064 757 L HA -0.211 4.130 4.340 0.002 0.000 0.216 757 L C 0.757 177.467 176.870 -0.267 0.000 1.077 757 L CA 1.923 56.597 54.840 -0.276 0.000 0.766 757 L CB -0.297 41.377 42.059 -0.641 0.000 0.890 757 L HN 0.090 nan 8.230 nan 0.000 0.435 758 F N -0.338 119.674 119.950 0.103 0.000 2.645 758 F HA 0.164 4.692 4.527 0.002 0.000 0.300 758 F C 1.941 177.810 175.800 0.115 0.000 1.115 758 F CA 0.168 58.225 58.000 0.095 0.000 1.355 758 F CB -0.733 38.316 39.000 0.082 0.000 1.026 758 F HN 0.165 nan 8.300 nan 0.000 0.536 759 K N 0.352 120.885 120.400 0.222 0.000 2.103 759 K HA -0.215 4.106 4.320 0.002 0.000 0.207 759 K C 1.011 177.736 176.600 0.209 0.000 1.048 759 K CA 2.196 58.599 56.287 0.194 0.000 0.930 759 K CB -0.273 32.308 32.500 0.135 0.000 0.716 759 K HN 0.089 nan 8.250 nan 0.000 0.444 760 D N 1.216 121.743 120.400 0.212 0.000 2.144 760 D HA -0.100 4.542 4.640 0.002 0.000 0.199 760 D C 2.065 178.497 176.300 0.219 0.000 0.984 760 D CA 1.252 55.387 54.000 0.224 0.000 0.834 760 D CB -0.142 40.825 40.800 0.278 0.000 0.955 760 D HN 0.384 nan 8.370 nan 0.000 0.465 761 I N 0.816 121.513 120.570 0.213 0.000 2.226 761 I HA -0.216 3.955 4.170 0.002 0.000 0.245 761 I C 2.291 178.527 176.117 0.199 0.000 1.100 761 I CA 0.567 61.974 61.300 0.178 0.000 1.374 761 I CB -0.160 37.931 38.000 0.153 0.000 1.057 761 I HN -0.020 nan 8.210 nan 0.000 0.413 762 I N 0.968 121.687 120.570 0.247 0.000 2.179 762 I HA -0.252 3.919 4.170 0.002 0.000 0.242 762 I C 2.291 178.620 176.117 0.354 0.000 1.088 762 I CA 1.589 63.074 61.300 0.309 0.000 1.357 762 I CB -1.348 36.825 38.000 0.288 0.000 1.051 762 I HN 0.357 nan 8.210 nan 0.000 0.409 763 N N 0.837 119.729 118.700 0.320 0.000 2.058 763 N HA -0.204 4.537 4.740 0.002 0.000 0.191 763 N C 1.903 177.650 175.510 0.395 0.000 1.037 763 N CA 1.261 54.563 53.050 0.419 0.000 0.848 763 N CB -0.464 38.240 38.487 0.363 0.000 1.021 763 N HN 0.276 nan 8.380 nan 0.000 0.422 764 M N 1.356 121.138 119.600 0.302 0.000 2.082 764 M HA -0.151 4.330 4.480 0.002 0.000 0.258 764 M C 1.981 178.336 176.300 0.092 0.000 1.069 764 M CA 1.381 56.829 55.300 0.246 0.000 1.102 764 M CB -0.844 31.878 32.600 0.203 0.000 1.336 764 M HN 0.117 nan 8.290 nan 0.000 0.404 765 L N -0.895 120.328 121.223 0.001 0.000 2.081 765 L HA -0.251 4.091 4.340 0.002 0.000 0.212 765 L C 2.243 178.749 176.870 -0.607 0.000 1.080 765 L CA 1.473 56.120 54.840 -0.323 0.000 0.754 765 L CB -0.549 41.335 42.059 -0.292 0.000 0.893 765 L HN 0.238 nan 8.230 nan 0.000 0.433 766 F N -2.843 116.872 119.950 -0.392 0.000 2.582 766 F HA -0.044 4.484 4.527 0.002 0.000 0.290 766 F C 1.547 176.750 175.800 -0.994 0.000 1.115 766 F CA 0.662 58.219 58.000 -0.739 0.000 1.445 766 F CB 0.282 38.710 39.000 -0.953 0.000 1.126 766 F HN -0.064 nan 8.300 nan 0.000 0.574 767 Y N -3.682 116.617 120.300 -0.002 0.000 2.494 767 Y HA 0.189 4.741 4.550 0.003 0.000 0.271 767 Y C 0.582 176.198 175.900 -0.474 0.000 1.113 767 Y CA 0.038 57.989 58.100 -0.249 0.000 1.240 767 Y CB 0.340 38.610 38.460 -0.316 0.000 1.268 767 Y HN -0.089 nan 8.280 nan 0.000 0.510 768 H N -1.112 118.060 119.070 0.170 0.000 2.665 768 H HA 0.163 4.720 4.556 0.002 0.000 0.248 768 H C -0.886 174.472 175.328 0.051 0.000 1.175 768 H CA -0.460 55.655 56.048 0.113 0.000 0.952 768 H CB 0.488 30.328 29.762 0.129 0.000 1.883 768 H HN -0.046 nan 8.280 nan 0.000 0.623 769 D N 1.048 121.502 120.400 0.090 0.000 2.422 769 D HA 0.067 4.709 4.640 0.002 0.000 0.227 769 D C 1.059 177.312 176.300 -0.079 0.000 1.190 769 D CA -0.172 53.846 54.000 0.031 0.000 0.905 769 D CB 0.494 41.285 40.800 -0.015 0.000 1.034 769 D HN 0.245 nan 8.370 nan 0.000 0.507 770 R N 2.315 122.643 120.500 -0.288 0.000 2.241 770 R HA -0.101 4.240 4.340 0.002 0.000 0.224 770 R C 0.558 176.434 176.300 -0.708 0.000 1.101 770 R CA 0.890 56.627 56.100 -0.604 0.000 0.995 770 R CB 0.011 29.732 30.300 -0.966 0.000 0.870 770 R HN 0.451 nan 8.270 nan 0.000 0.463 771 F N 0.317 120.230 119.950 -0.062 0.000 2.678 771 F HA 0.241 4.770 4.527 0.003 0.000 0.305 771 F C 0.217 175.894 175.800 -0.204 0.000 1.090 771 F CA -0.518 57.430 58.000 -0.087 0.000 1.272 771 F CB 0.153 39.158 39.000 0.008 0.000 1.060 771 F HN -0.236 nan 8.300 nan 0.000 0.576 772 K N -0.012 120.220 120.400 -0.280 0.000 3.619 772 K HA -0.157 4.164 4.320 0.002 0.000 0.275 772 K C 0.853 177.311 176.600 -0.236 0.000 0.993 772 K CA 0.132 56.050 56.287 -0.615 0.000 0.787 772 K CB -1.742 30.286 32.500 -0.787 0.000 1.431 772 K HN 0.179 nan 8.250 nan 0.000 0.451 773 V N 0.122 119.971 119.914 -0.109 0.000 2.295 773 V HA -0.253 3.868 4.120 0.002 0.000 0.246 773 V C 1.975 178.184 176.094 0.191 0.000 1.049 773 V CA 2.160 64.477 62.300 0.027 0.000 1.024 773 V CB -0.482 31.363 31.823 0.035 0.000 0.648 773 V HN 0.518 nan 8.190 nan 0.000 0.447 774 F N 0.404 120.316 119.950 -0.063 0.000 2.216 774 F HA -0.141 4.388 4.527 0.002 0.000 0.300 774 F C 2.547 178.099 175.800 -0.413 0.000 1.085 774 F CA 0.590 58.492 58.000 -0.163 0.000 1.326 774 F CB -0.409 38.451 39.000 -0.233 0.000 1.027 774 F HN 0.193 nan 8.300 nan 0.000 0.497 775 A N -0.368 122.209 122.820 -0.405 0.000 2.019 775 A HA -0.196 4.125 4.320 0.002 0.000 0.219 775 A C 1.571 179.156 177.584 0.001 0.000 1.164 775 A CA 1.911 53.639 52.037 -0.514 0.000 0.644 775 A CB -0.459 18.377 19.000 -0.273 0.000 0.805 775 A HN 0.228 nan 8.150 nan 0.000 0.449 776 D N -2.920 117.530 120.400 0.083 0.000 2.389 776 D HA 0.071 4.712 4.640 0.002 0.000 0.206 776 D C 1.272 177.754 176.300 0.303 0.000 1.055 776 D CA 0.044 54.170 54.000 0.211 0.000 0.856 776 D CB -0.151 40.758 40.800 0.181 0.000 0.957 776 D HN 0.514 nan 8.370 nan 0.000 0.509 777 Y N 2.405 122.809 120.300 0.174 0.000 1.993 777 Y HA -0.315 4.236 4.550 0.002 0.000 0.267 777 Y C 2.295 178.304 175.900 0.182 0.000 1.155 777 Y CA 2.478 60.700 58.100 0.203 0.000 1.105 777 Y CB -0.154 38.390 38.460 0.141 0.000 0.960 777 Y HN -0.069 nan 8.280 nan 0.000 0.486 778 E N -0.055 120.253 120.200 0.180 0.000 2.048 778 E HA -0.338 4.013 4.350 0.002 0.000 0.202 778 E C 2.302 178.880 176.600 -0.037 0.000 1.021 778 E CA 1.514 57.931 56.400 0.028 0.000 0.825 778 E CB -0.532 29.280 29.700 0.187 0.000 0.756 778 E HN 0.600 nan 8.360 nan 0.000 0.454 779 A N 0.382 123.261 122.820 0.098 0.000 1.903 779 A HA -0.258 4.064 4.320 0.002 0.000 0.219 779 A C 2.098 179.651 177.584 -0.053 0.000 1.191 779 A CA 1.924 54.036 52.037 0.125 0.000 0.638 779 A CB -1.138 18.045 19.000 0.306 0.000 0.823 779 A HN 0.618 nan 8.150 nan 0.000 0.451 780 Y N 0.966 121.065 120.300 -0.334 0.000 2.049 780 Y HA -0.227 4.325 4.550 0.002 0.000 0.277 780 Y C 2.476 177.970 175.900 -0.677 0.000 1.143 780 Y CA 1.993 59.570 58.100 -0.871 0.000 1.115 780 Y CB -0.877 37.244 38.460 -0.565 0.000 0.975 780 Y HN 0.066 nan 8.280 nan 0.000 0.487 781 V N 1.015 120.510 119.914 -0.698 0.000 2.380 781 V HA -0.360 3.762 4.120 0.002 0.000 0.251 781 V C 2.397 178.230 176.094 -0.435 0.000 1.063 781 V CA 2.393 64.303 62.300 -0.651 0.000 1.055 781 V CB -0.757 30.734 31.823 -0.553 0.000 0.657 781 V HN 0.351 nan 8.190 nan 0.000 0.455 782 K N -0.812 119.406 120.400 -0.304 0.000 2.057 782 K HA -0.195 4.126 4.320 0.002 0.000 0.207 782 K C 2.322 178.816 176.600 -0.177 0.000 1.049 782 K CA 1.728 57.912 56.287 -0.171 0.000 0.931 782 K CB -0.546 31.906 32.500 -0.081 0.000 0.714 782 K HN 0.579 nan 8.250 nan 0.000 0.440 783 C N 1.441 120.587 119.300 -0.257 0.000 2.446 783 C HA -0.067 4.394 4.460 0.002 0.000 0.277 783 C C 2.665 177.462 174.990 -0.321 0.000 1.275 783 C CA 0.703 59.595 59.018 -0.209 0.000 1.727 783 C CB -0.595 26.965 27.740 -0.300 0.000 2.010 783 C HN 0.428 nan 8.230 nan 0.000 0.486 784 Q N 0.636 120.082 119.800 -0.591 0.000 2.152 784 Q HA -0.176 4.166 4.340 0.002 0.000 0.206 784 Q C 1.667 177.461 176.000 -0.345 0.000 0.985 784 Q CA 1.910 57.335 55.803 -0.630 0.000 0.863 784 Q CB -0.590 27.506 28.738 -1.070 0.000 0.904 784 Q HN 0.708 nan 8.270 nan 0.000 0.422 785 D N 0.006 120.266 120.400 -0.233 0.000 2.183 785 D HA -0.075 4.566 4.640 0.002 0.000 0.203 785 D C 1.758 178.019 176.300 -0.064 0.000 0.969 785 D CA 0.665 54.591 54.000 -0.124 0.000 0.842 785 D CB 0.064 40.814 40.800 -0.084 0.000 0.957 785 D HN 0.237 nan 8.370 nan 0.000 0.484 786 K N 0.629 121.013 120.400 -0.026 0.000 2.057 786 K HA -0.057 4.264 4.320 0.002 0.000 0.207 786 K C 2.232 178.923 176.600 0.151 0.000 1.049 786 K CA 0.586 56.945 56.287 0.121 0.000 0.931 786 K CB -0.367 32.283 32.500 0.250 0.000 0.714 786 K HN 0.051 nan 8.250 nan 0.000 0.440 787 V N 1.527 121.319 119.914 -0.204 0.000 2.255 787 V HA -0.273 3.848 4.120 0.002 0.000 0.247 787 V C 2.465 178.537 176.094 -0.038 0.000 1.051 787 V CA 1.883 63.900 62.300 -0.471 0.000 1.018 787 V CB -0.577 30.803 31.823 -0.738 0.000 0.641 787 V HN 0.305 nan 8.190 nan 0.000 0.445 788 S N -0.118 115.510 115.700 -0.119 0.000 2.368 788 S HA -0.353 4.118 4.470 0.002 0.000 0.226 788 S C 2.079 176.694 174.600 0.025 0.000 1.044 788 S CA 2.407 60.548 58.200 -0.098 0.000 1.062 788 S CB -0.358 62.742 63.200 -0.166 0.000 0.931 788 S HN 0.886 nan 8.310 nan 0.000 0.440 789 Q N 0.291 120.124 119.800 0.055 0.000 2.079 789 Q HA -0.053 4.288 4.340 0.002 0.000 0.200 789 Q C 2.122 178.222 176.000 0.167 0.000 0.974 789 Q CA 1.431 57.287 55.803 0.088 0.000 0.840 789 Q CB -0.627 28.154 28.738 0.071 0.000 0.898 789 Q HN 0.424 nan 8.270 nan 0.000 0.430 790 L N 0.017 121.416 121.223 0.294 0.000 2.127 790 L HA -0.172 4.169 4.340 0.002 0.000 0.211 790 L C 2.227 179.385 176.870 0.479 0.000 1.089 790 L CA 1.698 56.802 54.840 0.440 0.000 0.757 790 L CB -0.704 41.744 42.059 0.648 0.000 0.899 790 L HN 0.351 nan 8.230 nan 0.000 0.434 791 Y N -0.729 119.670 120.300 0.165 0.000 2.421 791 Y HA -0.161 4.391 4.550 0.002 0.000 0.292 791 Y C 2.117 177.881 175.900 -0.226 0.000 1.136 791 Y CA 1.390 59.293 58.100 -0.328 0.000 1.255 791 Y CB -0.213 37.907 38.460 -0.566 0.000 0.991 791 Y HN 0.197 nan 8.280 nan 0.000 0.552 792 M N 0.006 119.562 119.600 -0.073 0.000 2.633 792 M HA -0.014 4.468 4.480 0.002 0.000 0.226 792 M C 0.011 176.258 176.300 -0.088 0.000 1.137 792 M CA 0.464 55.698 55.300 -0.111 0.000 1.020 792 M CB -0.021 32.560 32.600 -0.032 0.000 1.675 792 M HN 0.059 nan 8.290 nan 0.000 0.500 793 N N 0.198 118.866 118.700 -0.053 0.000 2.762 793 N HA 0.226 4.967 4.740 0.002 0.000 0.252 793 N C -2.288 173.229 175.510 0.011 0.000 1.269 793 N CA -1.906 51.142 53.050 -0.005 0.000 0.799 793 N CB 1.038 39.559 38.487 0.057 0.000 1.173 793 N HN -0.194 nan 8.380 nan 0.000 0.516 794 P HA -0.271 nan 4.420 nan 0.000 0.219 794 P C 1.297 178.628 177.300 0.051 0.000 1.158 794 P CA 1.501 64.563 63.100 -0.063 0.000 0.895 794 P CB 0.500 32.144 31.700 -0.094 0.000 0.792 795 K N -0.830 119.594 120.400 0.040 0.000 2.026 795 K HA -0.117 4.204 4.320 0.002 0.000 0.208 795 K C 2.032 178.684 176.600 0.087 0.000 1.048 795 K CA 1.594 57.914 56.287 0.055 0.000 0.929 795 K CB -0.558 31.964 32.500 0.036 0.000 0.713 795 K HN -0.006 nan 8.250 nan 0.000 0.439 796 A N 1.570 124.450 122.820 0.101 0.000 1.858 796 A HA -0.205 4.116 4.320 0.002 0.000 0.216 796 A C 2.006 179.680 177.584 0.150 0.000 1.190 796 A CA 1.292 53.394 52.037 0.107 0.000 0.617 796 A CB -1.192 17.872 19.000 0.107 0.000 0.827 796 A HN 0.701 nan 8.150 nan 0.000 0.443 797 W N 1.299 122.613 121.300 0.024 0.000 2.317 797 W HA -0.203 4.459 4.660 0.002 0.000 0.318 797 W C 1.608 178.150 176.519 0.038 0.000 1.227 797 W CA 2.184 59.559 57.345 0.050 0.000 1.269 797 W CB -0.485 28.985 29.460 0.017 0.000 1.155 797 W HN 0.388 nan 8.180 nan 0.000 0.484 798 N N -0.389 118.475 118.700 0.274 0.000 2.396 798 N HA -0.101 4.641 4.740 0.002 0.000 0.180 798 N C 1.578 177.122 175.510 0.056 0.000 1.028 798 N CA 1.744 54.887 53.050 0.154 0.000 0.893 798 N CB -0.403 38.152 38.487 0.114 0.000 0.967 798 N HN 0.097 nan 8.380 nan 0.000 0.440 799 T N 1.066 115.654 114.554 0.056 0.000 2.857 799 T HA -0.018 4.333 4.350 0.002 0.000 0.266 799 T C 1.932 176.636 174.700 0.006 0.000 1.048 799 T CA 0.612 62.741 62.100 0.047 0.000 1.139 799 T CB 0.091 68.990 68.868 0.051 0.000 0.874 799 T HN 0.200 nan 8.240 nan 0.000 0.455 800 M N 0.699 120.265 119.600 -0.056 0.000 2.156 800 M HA -0.072 4.410 4.480 0.002 0.000 0.264 800 M C 2.159 178.384 176.300 -0.125 0.000 1.067 800 M CA 1.211 56.438 55.300 -0.121 0.000 1.131 800 M CB -0.246 32.220 32.600 -0.223 0.000 1.368 800 M HN 0.048 nan 8.290 nan 0.000 0.416 801 V N 0.981 120.803 119.914 -0.153 0.000 2.231 801 V HA -0.318 3.804 4.120 0.002 0.000 0.248 801 V C 2.359 178.440 176.094 -0.021 0.000 1.054 801 V CA 2.134 64.383 62.300 -0.086 0.000 1.015 801 V CB -0.940 30.866 31.823 -0.028 0.000 0.638 801 V HN 0.599 nan 8.190 nan 0.000 0.444 802 L N -0.144 121.087 121.223 0.014 0.000 2.131 802 L HA -0.149 4.192 4.340 0.002 0.000 0.210 802 L C 2.281 179.172 176.870 0.035 0.000 1.092 802 L CA 1.910 56.783 54.840 0.056 0.000 0.759 802 L CB -0.715 41.428 42.059 0.139 0.000 0.903 802 L HN 0.226 nan 8.230 nan 0.000 0.435 803 K N -0.682 119.744 120.400 0.043 0.000 2.217 803 K HA -0.074 4.247 4.320 0.002 0.000 0.202 803 K C 1.859 178.494 176.600 0.058 0.000 1.051 803 K CA 1.152 57.486 56.287 0.079 0.000 0.952 803 K CB -0.133 32.411 32.500 0.072 0.000 0.736 803 K HN 0.531 nan 8.250 nan 0.000 0.453 804 N N 0.926 119.636 118.700 0.017 0.000 2.083 804 N HA -0.097 4.645 4.740 0.002 0.000 0.190 804 N C 1.951 177.480 175.510 0.033 0.000 1.047 804 N CA 1.184 54.248 53.050 0.025 0.000 0.845 804 N CB -0.138 38.348 38.487 -0.002 0.000 1.025 804 N HN 0.043 nan 8.380 nan 0.000 0.428 805 I N 1.732 122.309 120.570 0.012 0.000 2.185 805 I HA -0.282 3.889 4.170 0.002 0.000 0.246 805 I C 2.394 178.491 176.117 -0.033 0.000 1.088 805 I CA 1.153 62.454 61.300 0.001 0.000 1.347 805 I CB -0.440 37.552 38.000 -0.013 0.000 1.041 805 I HN 0.138 nan 8.210 nan 0.000 0.415 806 A N 0.251 123.014 122.820 -0.095 0.000 2.172 806 A HA 0.136 4.458 4.320 0.002 0.000 0.216 806 A C 2.151 179.634 177.584 -0.167 0.000 1.154 806 A CA 1.569 53.448 52.037 -0.264 0.000 0.701 806 A CB -0.432 18.201 19.000 -0.612 0.000 0.789 806 A HN 0.481 nan 8.150 nan 0.000 0.465 807 A N -0.457 122.367 122.820 0.005 0.000 2.469 807 A HA 0.336 4.658 4.320 0.002 0.000 0.245 807 A C 1.776 179.428 177.584 0.114 0.000 1.221 807 A CA 0.856 52.951 52.037 0.098 0.000 0.946 807 A CB -0.380 18.713 19.000 0.155 0.000 1.049 807 A HN 0.757 nan 8.150 nan 0.000 0.529 808 S N -0.713 115.060 115.700 0.122 0.000 2.561 808 S HA 0.071 4.542 4.470 0.002 0.000 0.225 808 S C 1.788 176.493 174.600 0.176 0.000 0.977 808 S CA 0.952 59.297 58.200 0.242 0.000 0.926 808 S CB -0.496 62.817 63.200 0.189 0.000 0.769 808 S HN 0.573 nan 8.310 nan 0.000 0.533 809 G N 2.187 111.014 108.800 0.045 0.000 2.450 809 G HA2 -0.249 3.713 3.960 0.002 0.000 0.220 809 G HA3 -0.249 3.713 3.960 0.002 0.000 0.220 809 G C 1.333 176.175 174.900 -0.098 0.000 1.130 809 G CA 0.939 46.040 45.100 0.002 0.000 0.760 809 G HN 0.596 nan 8.290 nan 0.000 0.557 810 K N -0.331 119.890 120.400 -0.299 0.000 2.089 810 K HA -0.138 4.183 4.320 0.002 0.000 0.210 810 K C 1.755 178.088 176.600 -0.444 0.000 1.048 810 K CA 1.310 57.293 56.287 -0.507 0.000 0.926 810 K CB -0.296 31.633 32.500 -0.952 0.000 0.714 810 K HN 0.349 nan 8.250 nan 0.000 0.448 811 F N 0.944 120.916 119.950 0.038 0.000 2.816 811 F HA 0.078 4.606 4.527 0.002 0.000 0.302 811 F C 1.092 176.924 175.800 0.053 0.000 1.178 811 F CA 0.018 58.043 58.000 0.042 0.000 1.421 811 F CB -0.341 38.675 39.000 0.026 0.000 1.114 811 F HN -0.135 nan 8.300 nan 0.000 0.573 812 S N 0.266 116.044 115.700 0.130 0.000 2.533 812 S HA 0.060 4.532 4.470 0.002 0.000 0.282 812 S C 1.490 176.161 174.600 0.118 0.000 1.304 812 S CA -0.017 58.253 58.200 0.115 0.000 1.063 812 S CB 0.588 63.827 63.200 0.064 0.000 0.881 812 S HN 0.358 nan 8.310 nan 0.000 0.493 813 S N 3.316 119.107 115.700 0.151 0.000 2.507 813 S HA -0.073 4.399 4.470 0.002 0.000 0.235 813 S C 0.972 175.606 174.600 0.056 0.000 0.988 813 S CA 0.680 58.985 58.200 0.176 0.000 0.944 813 S CB -0.309 63.073 63.200 0.304 0.000 0.762 813 S HN 0.773 nan 8.310 nan 0.000 0.526 814 D N 1.989 122.414 120.400 0.042 0.000 2.117 814 D HA -0.078 4.563 4.640 0.002 0.000 0.197 814 D C 2.104 178.398 176.300 -0.011 0.000 0.987 814 D CA 0.806 54.809 54.000 0.006 0.000 0.829 814 D CB -0.306 40.499 40.800 0.008 0.000 0.961 814 D HN 0.282 nan 8.370 nan 0.000 0.460 815 R N 0.725 121.223 120.500 -0.003 0.000 2.066 815 R HA -0.080 4.262 4.340 0.002 0.000 0.232 815 R C 1.851 178.137 176.300 -0.024 0.000 1.131 815 R CA 1.394 57.482 56.100 -0.019 0.000 0.955 815 R CB -0.839 29.442 30.300 -0.032 0.000 0.851 815 R HN 0.112 nan 8.270 nan 0.000 0.432 816 T N 2.220 116.775 114.554 0.003 0.000 2.665 816 T HA -0.128 4.223 4.350 0.002 0.000 0.268 816 T C 1.899 176.565 174.700 -0.056 0.000 1.035 816 T CA 1.419 63.533 62.100 0.025 0.000 1.151 816 T CB -0.109 68.829 68.868 0.116 0.000 0.862 816 T HN 0.110 nan 8.240 nan 0.000 0.438 817 I N 1.164 121.613 120.570 -0.201 0.000 2.315 817 I HA -0.081 4.091 4.170 0.002 0.000 0.248 817 I C 2.272 178.328 176.117 -0.101 0.000 1.117 817 I CA 1.346 62.506 61.300 -0.234 0.000 1.404 817 I CB -0.911 36.971 38.000 -0.197 0.000 1.071 817 I HN 0.288 nan 8.210 nan 0.000 0.419 818 K N 0.846 121.210 120.400 -0.059 0.000 2.020 818 K HA -0.222 4.099 4.320 0.002 0.000 0.212 818 K C 1.959 178.511 176.600 -0.081 0.000 1.050 818 K CA 1.752 58.015 56.287 -0.040 0.000 0.929 818 K CB -0.190 32.292 32.500 -0.030 0.000 0.714 818 K HN 0.376 nan 8.250 nan 0.000 0.443 819 E N -0.412 119.727 120.200 -0.102 0.000 2.118 819 E HA -0.218 4.133 4.350 0.002 0.000 0.195 819 E C 1.973 178.405 176.600 -0.280 0.000 0.992 819 E CA 1.396 57.701 56.400 -0.159 0.000 0.804 819 E CB -0.155 29.453 29.700 -0.154 0.000 0.741 819 E HN 0.394 nan 8.360 nan 0.000 0.458 820 Y N 0.444 120.437 120.300 -0.513 0.000 2.263 820 Y HA -0.140 4.412 4.550 0.002 0.000 0.292 820 Y C 2.455 177.780 175.900 -0.958 0.000 1.130 820 Y CA 0.950 58.483 58.100 -0.946 0.000 1.179 820 Y CB -0.144 37.373 38.460 -1.571 0.000 0.998 820 Y HN 0.044 nan 8.280 nan 0.000 0.532 821 A N -0.498 122.103 122.820 -0.366 0.000 1.933 821 A HA -0.240 4.081 4.320 0.002 0.000 0.218 821 A C 2.078 179.668 177.584 0.010 0.000 1.175 821 A CA 1.884 53.946 52.037 0.040 0.000 0.628 821 A CB -0.508 18.589 19.000 0.162 0.000 0.814 821 A HN 0.517 nan 8.150 nan 0.000 0.444 822 Q N -0.985 118.774 119.800 -0.067 0.000 2.204 822 Q HA -0.013 4.328 4.340 0.002 0.000 0.198 822 Q C 0.632 176.602 176.000 -0.050 0.000 0.946 822 Q CA 0.995 56.776 55.803 -0.037 0.000 0.859 822 Q CB 0.179 28.890 28.738 -0.046 0.000 0.946 822 Q HN 0.692 nan 8.270 nan 0.000 0.474 823 N N -0.886 117.749 118.700 -0.109 0.000 2.187 823 N HA 0.192 4.933 4.740 0.002 0.000 0.212 823 N C 0.794 176.255 175.510 -0.082 0.000 1.152 823 N CA 0.291 53.287 53.050 -0.090 0.000 0.872 823 N CB 1.325 39.745 38.487 -0.113 0.000 1.025 823 N HN 0.270 nan 8.380 nan 0.000 0.514 824 I N -1.621 118.883 120.570 -0.110 0.000 3.626 824 I HA 0.092 4.263 4.170 0.002 0.000 0.256 824 I C 1.057 177.291 176.117 0.196 0.000 1.105 824 I CA -0.186 61.103 61.300 -0.018 0.000 1.656 824 I CB -0.055 37.796 38.000 -0.249 0.000 1.672 824 I HN -0.037 nan 8.210 nan 0.000 0.421 825 W N 2.328 123.715 121.300 0.145 0.000 2.465 825 W HA 0.036 4.697 4.660 0.002 0.000 0.268 825 W C 0.868 177.414 176.519 0.045 0.000 1.242 825 W CA 0.545 57.955 57.345 0.107 0.000 1.248 825 W CB -1.308 28.204 29.460 0.088 0.000 1.118 825 W HN 0.418 nan 8.180 nan 0.000 0.587 826 N N 0.667 119.504 118.700 0.228 0.000 2.688 826 N HA -0.197 4.544 4.740 0.002 0.000 0.258 826 N C -0.748 174.835 175.510 0.122 0.000 1.016 826 N CA 0.677 53.801 53.050 0.124 0.000 0.747 826 N CB -0.783 37.744 38.487 0.066 0.000 0.895 826 N HN -0.049 nan 8.380 nan 0.000 0.543 827 V N -1.725 118.288 119.914 0.165 0.000 2.864 827 V HA 0.648 4.770 4.120 0.002 0.000 0.314 827 V C 0.126 176.279 176.094 0.099 0.000 1.073 827 V CA -0.989 61.377 62.300 0.109 0.000 0.956 827 V CB 2.101 33.988 31.823 0.107 0.000 1.023 827 V HN 0.210 nan 8.190 nan 0.000 0.435 828 E N 2.391 122.629 120.200 0.063 0.000 2.214 828 E HA 0.571 4.922 4.350 0.002 0.000 0.274 828 E C -2.580 174.054 176.600 0.057 0.000 0.977 828 E CA -2.150 54.284 56.400 0.056 0.000 0.827 828 E CB 1.784 31.509 29.700 0.043 0.000 1.130 828 E HN 0.670 nan 8.360 nan 0.000 0.394 829 P HA -0.005 nan 4.420 nan 0.000 0.269 829 P C -0.922 176.406 177.300 0.047 0.000 1.211 829 P CA 0.178 63.308 63.100 0.050 0.000 0.781 829 P CB 0.869 32.594 31.700 0.041 0.000 0.877 830 S N -0.045 115.685 115.700 0.049 0.000 3.379 830 S HA 0.608 5.079 4.470 0.002 0.000 0.273 830 S C -0.615 174.007 174.600 0.036 0.000 1.027 830 S CA -0.425 57.806 58.200 0.051 0.000 1.098 830 S CB 0.712 63.959 63.200 0.077 0.000 1.317 830 S HN 0.710 nan 8.310 nan 0.000 0.715 831 D N 0.000 120.414 120.400 0.024 0.000 6.856 831 D HA 0.000 4.641 4.640 0.002 0.000 0.175 831 D CA 0.000 54.005 54.000 0.008 0.000 0.868 831 D CB 0.000 40.804 40.800 0.007 0.000 0.688 831 D HN 0.000 nan 8.370 nan 0.000 0.683