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 3o8o_1_D DATA FIRST_RESID 195 DATA SEQUENCE PQKAIAVMTS GGDAPGMNSN VRAIVRSAIF KGCRAFVVME GYEGLVRGGP DATA SEQUENCE EYIKEFHWED VRGWSAEGGT NIGTARCMEF KKREGRLLGA QHLIEAGVDA DATA SEQUENCE LIVCGGDGSL TGADLFRSEW PSLIEELLKT NRISNEQYER MKHLNICGTV DATA SEQUENCE GSIDNDMSTT DATIGAYSAL DRICKAIDYV EATANSHSRA FVVEVMGRNC DATA SEQUENCE GWLALLAGIA TSADYIFIPE KPATSSEWQD QMCDIVSKHR SRGKRTTIVV DATA SEQUENCE VAEGAIAADL TPISPSDVHK VLVDRLGLDT RITTLGHVQR GGTAVAYDRI DATA SEQUENCE LATLQGLEAV NAVLESTPDT PSPLIAVNEN KIVRKPLMES VKLTKAVAEA DATA SEQUENCE IQAKDFKRAM SLRDTEFIEH LNNFMAINSA DHNEPKLPKD KRLKIAIVNV DATA SEQUENCE GAPAGGINSA VYSMATYCMS QGHRPYAIYN GWSGLARHES VRSLNWKDML DATA SEQUENCE GWQSRGGSEI GTNRVTPEEA DLGMIAYYFQ KYEFDGLIIV GGFEAFESLH DATA SEQUENCE QLERARESYP AFRIPMVLIP ATLSNNVPGT EYSLGSDTAL NALMEYCDVV DATA SEQUENCE KQSASSTRGR AFVVDCQGGN SGYLATYASL AVGAQVSYVP EEGISLEQLS DATA SEQUENCE EDIEYLAQSF EKAEGRGRFG KLILKSTNAS KALSATKLAE VITAEADGRF DATA SEQUENCE DAKPAYPGHV QQGGLPSPID RTRATRMAIK AVGFIKDNQA AIAEARAAEE DATA SEQUENCE NFNADDKTIS DTAAVVGVKG SHVVYNSIRQ LYDYETEVSM RMPKVIHWQA DATA SEQUENCE TRLIADHLVG RKR 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 195 P HA 0.000 nan 4.420 nan 0.000 0.216 195 P C 0.000 177.317 177.300 0.029 0.000 1.155 195 P CA 0.000 63.114 63.100 0.023 0.000 0.800 195 P CB 0.000 31.713 31.700 0.022 0.000 0.726 196 Q N 2.618 122.438 119.800 0.033 0.000 3.042 196 Q HA -0.075 4.265 4.340 -0.000 0.000 0.358 196 Q C 0.021 176.057 176.000 0.059 0.000 1.064 196 Q CA 0.961 56.791 55.803 0.044 0.000 1.188 196 Q CB 0.598 29.369 28.738 0.054 0.000 0.967 196 Q HN 0.305 nan 8.270 nan 0.000 0.414 197 K N 1.327 121.757 120.400 0.050 0.000 2.273 197 K HA 0.639 4.959 4.320 -0.000 0.000 0.240 197 K C -0.682 175.968 176.600 0.083 0.000 1.056 197 K CA -0.092 56.226 56.287 0.052 0.000 0.910 197 K CB 0.822 33.339 32.500 0.029 0.000 1.196 197 K HN 0.635 nan 8.250 nan 0.000 0.509 198 A N 0.738 123.603 122.820 0.075 0.000 2.549 198 A HA 0.621 4.941 4.320 -0.000 0.000 0.297 198 A C -1.156 176.477 177.584 0.082 0.000 1.061 198 A CA -0.755 51.359 52.037 0.128 0.000 0.690 198 A CB 0.897 20.022 19.000 0.209 0.000 1.287 198 A HN 0.569 nan 8.150 nan 0.000 0.402 199 I N 0.697 121.336 120.570 0.116 0.000 2.646 199 I HA 0.752 4.922 4.170 -0.000 0.000 0.299 199 I C 0.279 176.459 176.117 0.105 0.000 1.036 199 I CA -0.717 60.623 61.300 0.066 0.000 1.074 199 I CB 2.287 40.312 38.000 0.043 0.000 1.258 199 I HN 0.834 nan 8.210 nan 0.000 0.430 200 A N 4.483 127.333 122.820 0.050 0.000 2.475 200 A HA 0.882 5.202 4.320 -0.000 0.000 0.301 200 A C -0.999 176.572 177.584 -0.022 0.000 1.059 200 A CA -0.592 51.476 52.037 0.051 0.000 0.710 200 A CB 1.771 20.806 19.000 0.058 0.000 1.288 200 A HN 0.477 nan 8.150 nan 0.000 0.408 201 V N -0.224 119.654 119.914 -0.060 0.000 2.815 201 V HA 0.917 5.037 4.120 -0.000 0.000 0.314 201 V C -0.272 175.746 176.094 -0.126 0.000 1.064 201 V CA -0.697 61.549 62.300 -0.091 0.000 0.952 201 V CB 1.246 33.016 31.823 -0.088 0.000 1.020 201 V HN 1.321 nan 8.190 nan 0.000 0.439 202 M N 1.625 121.136 119.600 -0.149 0.000 2.421 202 M HA 0.754 5.234 4.480 -0.000 0.000 0.287 202 M C -0.754 175.437 176.300 -0.182 0.000 1.183 202 M CA -0.385 54.801 55.300 -0.190 0.000 0.916 202 M CB 2.489 34.916 32.600 -0.289 0.000 1.701 202 M HN 0.734 nan 8.290 nan 0.000 0.470 203 T N -0.135 114.327 114.554 -0.154 0.000 2.771 203 T HA 0.692 5.042 4.350 -0.000 0.000 0.281 203 T C -0.462 174.152 174.700 -0.142 0.000 0.982 203 T CA -0.614 61.413 62.100 -0.122 0.000 0.978 203 T CB 1.501 70.323 68.868 -0.078 0.000 0.930 203 T HN 0.756 nan 8.240 nan 0.000 0.447 204 S N 1.869 117.493 115.700 -0.127 0.000 2.568 204 S HA 0.861 5.331 4.470 -0.000 0.000 0.293 204 S C 0.468 175.060 174.600 -0.013 0.000 1.089 204 S CA 0.623 58.771 58.200 -0.087 0.000 0.945 204 S CB 0.763 63.889 63.200 -0.124 0.000 1.077 204 S HN 2.017 nan 8.310 nan 0.000 0.485 205 G N 1.633 110.446 108.800 0.020 0.000 2.681 205 G HA2 0.088 4.048 3.960 -0.000 0.000 0.220 205 G HA3 0.088 4.048 3.960 -0.000 0.000 0.220 205 G C 0.243 175.153 174.900 0.016 0.000 1.353 205 G CA -0.346 44.771 45.100 0.028 0.000 0.872 205 G HN 1.439 nan 8.290 nan 0.000 0.557 206 G N 0.627 109.439 108.800 0.021 0.000 2.340 206 G HA2 0.501 4.461 3.960 -0.000 0.000 0.245 206 G HA3 0.501 4.461 3.960 -0.000 0.000 0.245 206 G C 0.442 175.348 174.900 0.010 0.000 1.294 206 G CA 0.982 46.096 45.100 0.023 0.000 0.896 206 G HN 1.170 nan 8.290 nan 0.000 0.522 207 D N 0.645 121.050 120.400 0.008 0.000 2.361 207 D HA 0.486 5.126 4.640 -0.000 0.000 0.239 207 D C 0.007 176.307 176.300 0.001 0.000 1.200 207 D CA 0.067 54.063 54.000 -0.006 0.000 0.915 207 D CB 1.530 42.320 40.800 -0.016 0.000 1.170 207 D HN 0.637 nan 8.370 nan 0.000 0.444 208 A N 0.982 123.798 122.820 -0.007 0.000 2.547 208 A HA 0.548 4.868 4.320 -0.000 0.000 0.297 208 A C -2.917 174.666 177.584 -0.001 0.000 1.056 208 A CA -1.527 50.510 52.037 0.001 0.000 0.688 208 A CB 1.511 20.511 19.000 0.000 0.000 1.282 208 A HN 0.397 nan 8.150 nan 0.000 0.400 209 P HA 0.318 nan 4.420 nan 0.000 0.260 209 P C 1.044 178.353 177.300 0.014 0.000 1.185 209 P CA 2.196 65.301 63.100 0.009 0.000 0.763 209 P CB 0.586 32.301 31.700 0.026 0.000 0.776 210 G N 2.861 111.662 108.800 0.001 0.000 2.229 210 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.189 210 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.189 210 G C 0.987 175.886 174.900 -0.001 0.000 1.000 210 G CA 0.101 45.203 45.100 0.003 0.000 0.663 210 G HN 0.409 nan 8.290 nan 0.000 0.493 211 M N 0.453 120.048 119.600 -0.008 0.000 2.159 211 M HA -0.027 4.453 4.480 -0.000 0.000 0.263 211 M C 2.370 178.684 176.300 0.023 0.000 1.063 211 M CA 1.619 56.915 55.300 -0.006 0.000 1.110 211 M CB -0.447 32.139 32.600 -0.023 0.000 1.374 211 M HN 0.225 nan 8.290 nan 0.000 0.411 212 N N 0.360 119.070 118.700 0.017 0.000 2.120 212 N HA -0.091 4.649 4.740 -0.000 0.000 0.188 212 N C 1.784 177.391 175.510 0.162 0.000 1.024 212 N CA 1.466 54.577 53.050 0.101 0.000 0.852 212 N CB -0.355 38.115 38.487 -0.029 0.000 1.003 212 N HN 0.241 nan 8.380 nan 0.000 0.424 213 S N 1.004 116.747 115.700 0.072 0.000 2.382 213 S HA -0.121 4.349 4.470 -0.000 0.000 0.228 213 S C 1.751 176.363 174.600 0.019 0.000 1.027 213 S CA 0.989 59.214 58.200 0.042 0.000 0.991 213 S CB -0.330 62.872 63.200 0.003 0.000 0.823 213 S HN 0.406 nan 8.310 nan 0.000 0.469 214 N N 1.294 120.003 118.700 0.015 0.000 2.039 214 N HA -0.084 4.656 4.740 -0.000 0.000 0.193 214 N C 1.574 177.085 175.510 0.001 0.000 1.044 214 N CA 1.428 54.475 53.050 -0.005 0.000 0.847 214 N CB -0.524 37.957 38.487 -0.009 0.000 1.030 214 N HN 0.144 nan 8.380 nan 0.000 0.422 215 V N 1.345 121.286 119.914 0.045 0.000 2.282 215 V HA -0.260 3.860 4.120 -0.000 0.000 0.249 215 V C 2.619 178.703 176.094 -0.016 0.000 1.057 215 V CA 1.916 64.245 62.300 0.048 0.000 1.032 215 V CB -0.669 31.269 31.823 0.191 0.000 0.645 215 V HN 0.409 nan 8.190 nan 0.000 0.447 216 R N 0.128 120.636 120.500 0.014 0.000 2.083 216 R HA -0.208 4.132 4.340 -0.000 0.000 0.237 216 R C 2.293 178.481 176.300 -0.186 0.000 1.137 216 R CA 2.012 58.030 56.100 -0.137 0.000 0.951 216 R CB -0.516 29.746 30.300 -0.064 0.000 0.851 216 R HN 0.498 nan 8.270 nan 0.000 0.434 217 A N 1.211 123.959 122.820 -0.121 0.000 1.858 217 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 217 A C 2.299 179.814 177.584 -0.116 0.000 1.190 217 A CA 1.430 53.389 52.037 -0.130 0.000 0.617 217 A CB -0.567 18.380 19.000 -0.088 0.000 0.827 217 A HN 0.356 nan 8.150 nan 0.000 0.443 218 I N -0.318 120.203 120.570 -0.082 0.000 2.118 218 I HA -0.289 3.881 4.170 -0.000 0.000 0.241 218 I C 2.407 178.479 176.117 -0.075 0.000 1.070 218 I CA 1.550 62.814 61.300 -0.061 0.000 1.327 218 I CB -0.428 37.542 38.000 -0.050 0.000 1.034 218 I HN 0.178 nan 8.210 nan 0.000 0.405 219 V N 0.702 120.545 119.914 -0.119 0.000 2.255 219 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 219 V C 2.652 178.652 176.094 -0.156 0.000 1.051 219 V CA 1.831 64.052 62.300 -0.131 0.000 1.018 219 V CB -0.782 30.938 31.823 -0.171 0.000 0.641 219 V HN 0.367 nan 8.190 nan 0.000 0.445 220 R N 0.153 120.469 120.500 -0.307 0.000 2.062 220 R HA -0.079 4.261 4.340 -0.000 0.000 0.231 220 R C 2.549 178.820 176.300 -0.048 0.000 1.136 220 R CA 1.697 57.520 56.100 -0.461 0.000 0.948 220 R CB -1.165 28.679 30.300 -0.759 0.000 0.845 220 R HN 0.530 nan 8.270 nan 0.000 0.430 221 S N 1.250 116.934 115.700 -0.027 0.000 2.370 221 S HA -0.153 4.317 4.470 -0.000 0.000 0.226 221 S C 2.085 176.788 174.600 0.172 0.000 1.033 221 S CA 1.365 59.625 58.200 0.101 0.000 1.011 221 S CB -0.255 62.969 63.200 0.041 0.000 0.852 221 S HN 0.492 nan 8.310 nan 0.000 0.457 222 A N 1.719 124.597 122.820 0.096 0.000 1.858 222 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 222 A C 2.079 179.753 177.584 0.149 0.000 1.190 222 A CA 1.276 53.374 52.037 0.102 0.000 0.617 222 A CB -0.787 18.250 19.000 0.062 0.000 0.827 222 A HN 0.477 nan 8.150 nan 0.000 0.443 223 I N -1.724 118.958 120.570 0.187 0.000 2.335 223 I HA -0.248 3.922 4.170 -0.000 0.000 0.251 223 I C 2.368 178.664 176.117 0.299 0.000 1.129 223 I CA 1.537 62.990 61.300 0.256 0.000 1.402 223 I CB -0.395 37.839 38.000 0.390 0.000 1.069 223 I HN 0.433 nan 8.210 nan 0.000 0.424 224 F N 2.338 122.425 119.950 0.229 0.000 2.075 224 F HA -0.194 4.333 4.527 -0.000 0.000 0.297 224 F C 2.402 178.226 175.800 0.041 0.000 1.113 224 F CA 1.670 59.761 58.000 0.152 0.000 1.218 224 F CB -0.247 38.848 39.000 0.159 0.000 0.984 224 F HN -0.165 nan 8.300 nan 0.000 0.472 225 K N 0.317 120.769 120.400 0.086 0.000 2.442 225 K HA 0.029 4.349 4.320 -0.000 0.000 0.198 225 K C 1.564 178.123 176.600 -0.069 0.000 1.044 225 K CA 1.004 57.270 56.287 -0.035 0.000 0.948 225 K CB -0.904 31.634 32.500 0.064 0.000 0.762 225 K HN 0.579 nan 8.250 nan 0.000 0.472 226 G N 0.574 109.356 108.800 -0.031 0.000 2.159 226 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.227 226 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.227 226 G C 0.406 175.322 174.900 0.026 0.000 0.986 226 G CA -0.003 45.084 45.100 -0.022 0.000 0.651 226 G HN 0.274 nan 8.290 nan 0.000 0.523 227 C N 0.713 120.045 119.300 0.054 0.000 2.396 227 C HA 0.785 5.245 4.460 -0.000 0.000 0.359 227 C C 1.081 176.130 174.990 0.098 0.000 1.307 227 C CA -0.785 58.277 59.018 0.073 0.000 2.392 227 C CB 0.767 28.552 27.740 0.074 0.000 2.245 227 C HN 0.513 nan 8.230 nan 0.000 0.615 228 R N 0.715 121.291 120.500 0.128 0.000 2.474 228 R HA 0.607 4.947 4.340 -0.000 0.000 0.295 228 R C -0.506 175.872 176.300 0.130 0.000 0.980 228 R CA -0.078 56.100 56.100 0.130 0.000 0.934 228 R CB 1.119 31.540 30.300 0.201 0.000 1.101 228 R HN 0.827 nan 8.270 nan 0.000 0.469 229 A N 3.355 126.174 122.820 -0.001 0.000 2.290 229 A HA 0.639 4.959 4.320 -0.000 0.000 0.310 229 A C -1.005 176.457 177.584 -0.202 0.000 1.202 229 A CA -0.343 51.681 52.037 -0.023 0.000 0.837 229 A CB 0.320 19.302 19.000 -0.030 0.000 1.139 229 A HN 0.591 nan 8.150 nan 0.000 0.509 230 F N 1.363 121.269 119.950 -0.072 0.000 2.540 230 F HA 0.529 5.056 4.527 -0.000 0.000 0.317 230 F C -0.073 175.589 175.800 -0.230 0.000 1.104 230 F CA -0.542 57.386 58.000 -0.119 0.000 0.913 230 F CB 2.549 41.513 39.000 -0.060 0.000 1.170 230 F HN 0.317 nan 8.300 nan 0.000 0.450 231 V N 4.089 123.876 119.914 -0.211 0.000 2.459 231 V HA 0.458 4.578 4.120 -0.000 0.000 0.295 231 V C -0.750 175.240 176.094 -0.173 0.000 1.029 231 V CA -0.835 61.239 62.300 -0.377 0.000 0.874 231 V CB 1.982 33.187 31.823 -1.031 0.000 0.985 231 V HN 0.466 nan 8.190 nan 0.000 0.438 232 V N 6.374 126.211 119.914 -0.129 0.000 2.364 232 V HA 0.379 4.499 4.120 -0.000 0.000 0.272 232 V C 0.377 176.419 176.094 -0.087 0.000 1.036 232 V CA -0.557 61.700 62.300 -0.072 0.000 0.880 232 V CB 1.339 33.111 31.823 -0.086 0.000 0.991 232 V HN 0.723 nan 8.190 nan 0.000 0.460 233 M N 3.181 122.747 119.600 -0.058 0.000 2.241 233 M HA 0.304 4.784 4.480 -0.000 0.000 0.335 233 M C 0.817 177.126 176.300 0.014 0.000 1.122 233 M CA -0.023 55.223 55.300 -0.090 0.000 1.164 233 M CB 0.016 32.454 32.600 -0.271 0.000 1.459 233 M HN 0.631 nan 8.290 nan 0.000 0.461 234 E N 0.899 121.093 120.200 -0.010 0.000 2.238 234 E HA -0.198 4.152 4.350 -0.000 0.000 0.219 234 E C 0.788 177.394 176.600 0.009 0.000 1.275 234 E CA 1.192 57.614 56.400 0.036 0.000 0.714 234 E CB -2.248 27.541 29.700 0.148 0.000 1.154 234 E HN 1.075 nan 8.360 nan 0.000 0.363 235 G N -0.210 108.545 108.800 -0.075 0.000 2.578 235 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.275 235 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.275 235 G C 0.580 175.351 174.900 -0.215 0.000 1.271 235 G CA 0.512 45.506 45.100 -0.177 0.000 0.941 235 G HN 0.267 nan 8.290 nan 0.000 0.564 236 Y N 0.797 120.968 120.300 -0.214 0.000 2.315 236 Y HA -0.065 4.484 4.550 -0.000 0.000 0.288 236 Y C 2.882 178.655 175.900 -0.212 0.000 1.154 236 Y CA 2.082 59.944 58.100 -0.396 0.000 1.229 236 Y CB -0.219 37.863 38.460 -0.630 0.000 0.980 236 Y HN 0.705 nan 8.280 nan 0.000 0.540 237 E N 0.066 120.301 120.200 0.059 0.000 2.097 237 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 237 E C 2.536 179.139 176.600 0.005 0.000 1.000 237 E CA 1.199 57.629 56.400 0.050 0.000 0.804 237 E CB -0.548 29.183 29.700 0.051 0.000 0.740 237 E HN 0.532 nan 8.360 nan 0.000 0.454 238 G N 1.342 110.177 108.800 0.058 0.000 2.475 238 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.220 238 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.220 238 G C 1.601 176.521 174.900 0.033 0.000 1.125 238 G CA 0.753 45.940 45.100 0.145 0.000 0.755 238 G HN 0.235 nan 8.290 nan 0.000 0.565 239 L N -0.014 121.222 121.223 0.021 0.000 2.131 239 L HA -0.019 4.321 4.340 -0.000 0.000 0.206 239 L C 2.946 179.950 176.870 0.224 0.000 1.087 239 L CA 0.247 55.148 54.840 0.102 0.000 0.767 239 L CB -0.340 41.745 42.059 0.043 0.000 0.917 239 L HN 0.110 nan 8.230 nan 0.000 0.441 240 V N -0.357 119.662 119.914 0.175 0.000 2.244 240 V HA -0.168 3.952 4.120 -0.000 0.000 0.244 240 V C 1.594 177.717 176.094 0.047 0.000 1.042 240 V CA 1.220 63.642 62.300 0.202 0.000 1.006 240 V CB -0.528 31.378 31.823 0.138 0.000 0.641 240 V HN 0.382 nan 8.190 nan 0.000 0.446 241 R N -0.194 120.183 120.500 -0.205 0.000 2.801 241 R HA 0.451 4.791 4.340 -0.000 0.000 0.273 241 R C 0.294 176.204 176.300 -0.651 0.000 1.080 241 R CA 0.620 56.449 56.100 -0.451 0.000 1.197 241 R CB 0.116 29.890 30.300 -0.878 0.000 1.109 241 R HN 0.472 nan 8.270 nan 0.000 0.535 242 G N -1.378 106.972 108.800 -0.751 0.000 2.976 242 G HA2 0.506 4.466 3.960 -0.000 0.000 0.276 242 G HA3 0.506 4.466 3.960 -0.000 0.000 0.276 242 G C -0.290 174.496 174.900 -0.190 0.000 1.207 242 G CA -0.325 44.296 45.100 -0.798 0.000 0.803 242 G HN 0.804 nan 8.290 nan 0.000 0.572 243 G N 0.153 108.927 108.800 -0.043 0.000 2.649 243 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.281 243 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.281 243 G C -1.671 173.299 174.900 0.117 0.000 1.325 243 G CA 0.230 45.377 45.100 0.079 0.000 0.916 243 G HN 0.759 nan 8.290 nan 0.000 0.562 244 P HA 0.201 nan 4.420 nan 0.000 0.273 244 P C 0.565 177.943 177.300 0.131 0.000 1.258 244 P CA 1.214 64.400 63.100 0.143 0.000 0.802 244 P CB 0.681 32.455 31.700 0.124 0.000 1.040 245 E N -1.284 118.968 120.200 0.085 0.000 4.934 245 E HA -0.292 4.058 4.350 -0.000 0.000 0.166 245 E C 0.564 177.077 176.600 -0.145 0.000 1.091 245 E CA 1.697 58.098 56.400 0.003 0.000 2.341 245 E CB -2.267 27.476 29.700 0.071 0.000 1.744 245 E HN 0.558 nan 8.360 nan 0.000 0.492 246 Y N -0.754 119.553 120.300 0.011 0.000 2.581 246 Y HA 0.511 5.061 4.550 -0.000 0.000 0.271 246 Y C 0.794 176.691 175.900 -0.005 0.000 1.100 246 Y CA 0.722 58.813 58.100 -0.015 0.000 1.281 246 Y CB 0.930 39.358 38.460 -0.052 0.000 1.237 246 Y HN 0.004 nan 8.280 nan 0.000 0.514 247 I N 1.453 122.121 120.570 0.163 0.000 2.750 247 I HA 0.182 4.351 4.170 -0.000 0.000 0.279 247 I C -0.602 175.682 176.117 0.278 0.000 1.206 247 I CA -0.407 60.990 61.300 0.163 0.000 1.101 247 I CB 0.713 38.782 38.000 0.116 0.000 1.431 247 I HN -0.136 nan 8.210 nan 0.000 0.551 248 K N 4.599 125.114 120.400 0.191 0.000 2.201 248 K HA 0.270 4.590 4.320 -0.000 0.000 0.278 248 K C 0.045 176.635 176.600 -0.016 0.000 1.027 248 K CA -0.443 55.934 56.287 0.149 0.000 0.909 248 K CB 1.325 33.888 32.500 0.104 0.000 1.062 248 K HN 0.400 nan 8.250 nan 0.000 0.465 249 E N 3.981 123.994 120.200 -0.312 0.000 2.316 249 E HA 0.062 4.412 4.350 -0.000 0.000 0.275 249 E C -1.142 175.193 176.600 -0.441 0.000 1.029 249 E CA -0.387 55.411 56.400 -1.004 0.000 0.871 249 E CB 0.465 29.539 29.700 -1.043 0.000 1.022 249 E HN 0.289 nan 8.360 nan 0.000 0.418 250 F N 2.883 122.403 119.950 -0.716 0.000 2.470 250 F HA 0.383 4.910 4.527 -0.000 0.000 0.329 250 F C 0.281 175.707 175.800 -0.624 0.000 1.072 250 F CA -0.658 57.002 58.000 -0.567 0.000 0.989 250 F CB 1.381 40.157 39.000 -0.374 0.000 1.193 250 F HN 0.508 nan 8.300 nan 0.000 0.481 251 H N 1.328 120.320 119.070 -0.130 0.000 2.679 251 H HA 0.016 4.572 4.556 -0.000 0.000 0.367 251 H C 0.823 176.119 175.328 -0.053 0.000 1.162 251 H CA -0.936 55.079 56.048 -0.055 0.000 1.181 251 H CB 1.341 31.073 29.762 -0.051 0.000 1.693 251 H HN 0.768 nan 8.280 nan 0.000 0.538 252 W N 2.748 124.067 121.300 0.032 0.000 2.272 252 W HA -0.344 4.316 4.660 -0.000 0.000 0.344 252 W C 1.447 177.907 176.519 -0.099 0.000 1.390 252 W CA 3.059 60.387 57.345 -0.029 0.000 1.331 252 W CB -0.035 29.429 29.460 0.007 0.000 1.103 252 W HN 0.858 nan 8.180 nan 0.000 0.470 253 E N -0.534 119.783 120.200 0.194 0.000 2.401 253 E HA -0.196 4.154 4.350 -0.000 0.000 0.199 253 E C 1.351 177.819 176.600 -0.220 0.000 1.023 253 E CA 1.567 58.006 56.400 0.065 0.000 0.859 253 E CB -0.641 29.216 29.700 0.262 0.000 0.780 253 E HN 0.154 nan 8.360 nan 0.000 0.523 254 D N 1.038 121.213 120.400 -0.375 0.000 2.224 254 D HA -0.095 4.545 4.640 -0.000 0.000 0.205 254 D C 1.781 177.543 176.300 -0.897 0.000 0.965 254 D CA 1.467 55.058 54.000 -0.680 0.000 0.852 254 D CB 0.335 40.395 40.800 -1.232 0.000 0.947 254 D HN 0.353 nan 8.370 nan 0.000 0.494 255 V N -0.734 118.601 119.914 -0.966 0.000 3.444 255 V HA 0.183 4.303 4.120 -0.000 0.000 0.308 255 V C 0.844 176.410 176.094 -0.880 0.000 1.371 255 V CA -0.612 60.759 62.300 -1.548 0.000 1.141 255 V CB -0.813 30.352 31.823 -1.097 0.000 1.037 255 V HN -0.061 nan 8.190 nan 0.000 0.433 256 R N 1.405 121.589 120.500 -0.526 0.000 2.537 256 R HA 0.312 4.652 4.340 -0.000 0.000 0.281 256 R C 1.298 177.558 176.300 -0.068 0.000 0.988 256 R CA 1.279 57.207 56.100 -0.288 0.000 1.077 256 R CB -0.089 29.994 30.300 -0.362 0.000 0.932 256 R HN 0.876 nan 8.270 nan 0.000 0.409 257 G N 3.830 112.618 108.800 -0.019 0.000 2.245 257 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.264 257 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.264 257 G C 0.410 175.431 174.900 0.201 0.000 0.985 257 G CA 0.382 45.524 45.100 0.070 0.000 0.625 257 G HN 0.775 nan 8.290 nan 0.000 0.536 258 W N 1.297 122.534 121.300 -0.106 0.000 2.325 258 W HA 0.043 4.703 4.660 -0.000 0.000 0.299 258 W C 2.635 179.111 176.519 -0.072 0.000 1.215 258 W CA 1.403 58.699 57.345 -0.081 0.000 1.244 258 W CB -1.162 28.254 29.460 -0.074 0.000 1.140 258 W HN 0.335 nan 8.180 nan 0.000 0.523 259 S N -0.558 115.230 115.700 0.147 0.000 2.488 259 S HA -0.042 4.428 4.470 -0.000 0.000 0.246 259 S C 1.493 176.105 174.600 0.020 0.000 0.992 259 S CA 1.106 59.339 58.200 0.055 0.000 0.963 259 S CB -0.350 62.857 63.200 0.012 0.000 0.754 259 S HN 0.164 nan 8.310 nan 0.000 0.519 260 A N 0.469 123.297 122.820 0.013 0.000 2.637 260 A HA 0.434 4.754 4.320 -0.000 0.000 0.293 260 A C -0.038 177.518 177.584 -0.046 0.000 1.216 260 A CA -0.456 51.571 52.037 -0.016 0.000 0.956 260 A CB 0.351 19.341 19.000 -0.017 0.000 1.174 260 A HN 0.422 nan 8.150 nan 0.000 0.525 261 E N -0.415 119.741 120.200 -0.074 0.000 2.266 261 E HA 0.505 4.855 4.350 -0.000 0.000 0.268 261 E C 0.190 176.713 176.600 -0.128 0.000 0.879 261 E CA -0.873 55.448 56.400 -0.131 0.000 0.762 261 E CB 1.905 31.460 29.700 -0.243 0.000 1.199 261 E HN 0.338 nan 8.360 nan 0.000 0.422 262 G N 0.818 109.550 108.800 -0.113 0.000 2.599 262 G HA2 0.468 4.428 3.960 -0.000 0.000 0.264 262 G HA3 0.468 4.428 3.960 -0.000 0.000 0.264 262 G C 0.538 175.369 174.900 -0.115 0.000 1.200 262 G CA 0.270 45.316 45.100 -0.090 0.000 0.896 262 G HN 0.722 nan 8.290 nan 0.000 0.536 263 G N -0.718 108.033 108.800 -0.081 0.000 2.598 263 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.269 263 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.269 263 G C 0.083 174.913 174.900 -0.116 0.000 1.289 263 G CA 0.383 45.432 45.100 -0.084 0.000 0.926 263 G HN 1.330 nan 8.290 nan 0.000 0.567 264 T N 1.392 115.872 114.554 -0.123 0.000 2.772 264 T HA 0.474 4.824 4.350 -0.000 0.000 0.288 264 T C 1.173 175.747 174.700 -0.210 0.000 0.994 264 T CA -0.337 61.678 62.100 -0.141 0.000 0.951 264 T CB 1.415 70.228 68.868 -0.092 0.000 0.933 264 T HN 0.503 nan 8.240 nan 0.000 0.447 265 N N 2.114 120.591 118.700 -0.371 0.000 2.396 265 N HA -0.018 4.722 4.740 -0.000 0.000 0.180 265 N C 1.651 177.053 175.510 -0.180 0.000 1.028 265 N CA 0.575 53.351 53.050 -0.456 0.000 0.893 265 N CB -0.056 37.724 38.487 -1.179 0.000 0.967 265 N HN 0.783 nan 8.380 nan 0.000 0.440 266 I N -3.019 117.503 120.570 -0.080 0.000 3.812 266 I HA 0.314 4.484 4.170 -0.000 0.000 0.320 266 I C 0.705 176.779 176.117 -0.072 0.000 1.276 266 I CA -0.190 61.089 61.300 -0.036 0.000 1.164 266 I CB -0.588 37.389 38.000 -0.039 0.000 1.009 266 I HN -0.089 nan 8.210 nan 0.000 0.431 267 G N 1.591 110.342 108.800 -0.082 0.000 2.880 267 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.617 267 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.617 267 G C -0.297 174.567 174.900 -0.060 0.000 1.493 267 G CA 0.035 45.094 45.100 -0.068 0.000 0.916 267 G HN 0.649 nan 8.290 nan 0.000 0.553 268 T N -0.810 113.718 114.554 -0.042 0.000 3.105 268 T HA 0.858 5.208 4.350 -0.000 0.000 0.321 268 T C -0.050 174.646 174.700 -0.008 0.000 1.135 268 T CA 0.928 63.008 62.100 -0.035 0.000 1.053 268 T CB 1.007 69.853 68.868 -0.036 0.000 1.133 268 T HN 2.425 nan 8.240 nan 0.000 0.463 269 A N 3.780 126.605 122.820 0.009 0.000 2.435 269 A HA 0.874 5.194 4.320 -0.000 0.000 0.296 269 A C -0.354 177.256 177.584 0.043 0.000 1.147 269 A CA -0.982 51.072 52.037 0.028 0.000 0.775 269 A CB 1.509 20.535 19.000 0.044 0.000 1.340 269 A HN 0.901 nan 8.150 nan 0.000 0.427 270 R N 0.334 120.859 120.500 0.043 0.000 2.347 270 R HA 0.330 4.670 4.340 -0.000 0.000 0.304 270 R C -0.259 176.078 176.300 0.062 0.000 1.072 270 R CA -0.139 55.991 56.100 0.050 0.000 0.980 270 R CB -0.178 30.144 30.300 0.037 0.000 0.986 270 R HN 0.884 nan 8.270 nan 0.000 0.448 271 C N 5.706 125.053 119.300 0.078 0.000 2.373 271 C HA 0.356 4.816 4.460 -0.000 0.000 0.354 271 C C 1.208 176.242 174.990 0.073 0.000 1.249 271 C CA -0.808 58.265 59.018 0.091 0.000 1.784 271 C CB -0.466 27.336 27.740 0.103 0.000 2.408 271 C HN 0.932 nan 8.230 nan 0.000 0.542 272 M N 1.936 121.578 119.600 0.071 0.000 2.473 272 M HA 0.103 4.583 4.480 -0.000 0.000 0.230 272 M C 2.058 178.391 176.300 0.055 0.000 1.226 272 M CA 0.870 56.200 55.300 0.049 0.000 1.235 272 M CB -0.649 31.973 32.600 0.036 0.000 1.162 272 M HN 0.693 nan 8.290 nan 0.000 0.486 273 E N 1.209 121.446 120.200 0.061 0.000 2.169 273 E HA -0.232 4.118 4.350 -0.000 0.000 0.202 273 E C 1.585 178.220 176.600 0.058 0.000 1.016 273 E CA 1.610 58.043 56.400 0.054 0.000 0.817 273 E CB -0.968 28.770 29.700 0.063 0.000 0.736 273 E HN 0.370 nan 8.360 nan 0.000 0.462 274 F N 1.293 121.215 119.950 -0.046 0.000 2.546 274 F HA -0.058 4.469 4.527 -0.000 0.000 0.298 274 F C 1.536 177.275 175.800 -0.101 0.000 1.120 274 F CA 0.904 58.849 58.000 -0.091 0.000 1.456 274 F CB 0.220 39.119 39.000 -0.168 0.000 1.088 274 F HN -0.150 nan 8.300 nan 0.000 0.572 275 K N 0.680 121.062 120.400 -0.031 0.000 2.103 275 K HA -0.063 4.257 4.320 -0.000 0.000 0.204 275 K C 0.725 177.257 176.600 -0.114 0.000 1.052 275 K CA 0.813 57.062 56.287 -0.064 0.000 0.945 275 K CB -0.325 32.163 32.500 -0.019 0.000 0.722 275 K HN 0.256 nan 8.250 nan 0.000 0.443 276 K N 0.844 121.181 120.400 -0.106 0.000 2.168 276 K HA 0.097 4.417 4.320 -0.000 0.000 0.258 276 K C 1.262 177.766 176.600 -0.159 0.000 1.010 276 K CA -0.146 56.080 56.287 -0.102 0.000 0.929 276 K CB 0.859 33.320 32.500 -0.065 0.000 0.998 276 K HN -0.098 nan 8.250 nan 0.000 0.479 277 R N 1.468 121.895 120.500 -0.123 0.000 2.092 277 R HA -0.173 4.167 4.340 -0.000 0.000 0.231 277 R C 1.838 178.063 176.300 -0.125 0.000 1.119 277 R CA 1.657 57.678 56.100 -0.132 0.000 0.970 277 R CB -0.021 30.226 30.300 -0.089 0.000 0.864 277 R HN 0.649 nan 8.270 nan 0.000 0.440 278 E N -0.101 120.045 120.200 -0.091 0.000 2.160 278 E HA -0.105 4.245 4.350 -0.000 0.000 0.195 278 E C 1.646 178.204 176.600 -0.070 0.000 0.991 278 E CA 1.827 58.185 56.400 -0.070 0.000 0.810 278 E CB -0.596 29.076 29.700 -0.046 0.000 0.742 278 E HN 0.461 nan 8.360 nan 0.000 0.466 279 G N 0.418 109.159 108.800 -0.097 0.000 2.434 279 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.214 279 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.214 279 G C 1.656 176.462 174.900 -0.157 0.000 1.202 279 G CA 0.738 45.795 45.100 -0.072 0.000 0.788 279 G HN 0.242 nan 8.290 nan 0.000 0.539 280 R N -0.558 119.653 120.500 -0.482 0.000 2.159 280 R HA 0.003 4.343 4.340 -0.000 0.000 0.237 280 R C 2.509 178.803 176.300 -0.010 0.000 1.131 280 R CA 0.741 56.501 56.100 -0.567 0.000 0.982 280 R CB -0.358 29.594 30.300 -0.580 0.000 0.868 280 R HN 0.305 nan 8.270 nan 0.000 0.453 281 L N 0.342 121.528 121.223 -0.062 0.000 2.044 281 L HA -0.114 4.226 4.340 -0.000 0.000 0.205 281 L C 2.117 178.960 176.870 -0.044 0.000 1.075 281 L CA 1.330 56.138 54.840 -0.054 0.000 0.747 281 L CB -0.182 41.825 42.059 -0.086 0.000 0.903 281 L HN 0.137 nan 8.230 nan 0.000 0.435 282 L N -1.161 120.041 121.223 -0.036 0.000 2.042 282 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 282 L C 2.486 179.350 176.870 -0.010 0.000 1.076 282 L CA 1.328 56.106 54.840 -0.103 0.000 0.749 282 L CB -1.285 40.804 42.059 0.050 0.000 0.893 282 L HN 0.443 nan 8.230 nan 0.000 0.432 283 G N -0.353 108.602 108.800 0.257 0.000 2.514 283 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.217 283 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.217 283 G C 1.750 176.923 174.900 0.455 0.000 1.198 283 G CA 0.992 46.359 45.100 0.445 0.000 0.780 283 G HN 0.489 nan 8.290 nan 0.000 0.565 284 A N 0.113 123.214 122.820 0.468 0.000 1.892 284 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 284 A C 2.313 179.903 177.584 0.010 0.000 1.188 284 A CA 2.280 54.428 52.037 0.183 0.000 0.631 284 A CB -0.710 18.048 19.000 -0.403 0.000 0.822 284 A HN 0.503 nan 8.150 nan 0.000 0.447 285 Q N -1.188 118.546 119.800 -0.108 0.000 1.985 285 Q HA -0.283 4.057 4.340 -0.000 0.000 0.207 285 Q C 2.085 178.047 176.000 -0.063 0.000 0.996 285 Q CA 2.050 57.755 55.803 -0.163 0.000 0.851 285 Q CB -0.353 28.201 28.738 -0.306 0.000 0.921 285 Q HN 0.810 nan 8.270 nan 0.000 0.418 286 H N -0.161 118.964 119.070 0.091 0.000 2.353 286 H HA -0.176 4.380 4.556 -0.000 0.000 0.298 286 H C 2.148 177.527 175.328 0.084 0.000 1.103 286 H CA 1.270 57.368 56.048 0.084 0.000 1.293 286 H CB -0.229 29.586 29.762 0.089 0.000 1.372 286 H HN 0.246 nan 8.280 nan 0.000 0.501 287 L N 0.725 122.108 121.223 0.266 0.000 1.994 287 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 287 L C 2.786 179.742 176.870 0.143 0.000 1.071 287 L CA 1.188 56.153 54.840 0.209 0.000 0.745 287 L CB -1.252 41.039 42.059 0.387 0.000 0.892 287 L HN 0.211 nan 8.230 nan 0.000 0.431 288 I N -0.309 120.386 120.570 0.208 0.000 2.208 288 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 288 I C 2.289 178.449 176.117 0.071 0.000 1.097 288 I CA 1.230 62.617 61.300 0.146 0.000 1.363 288 I CB -0.305 37.758 38.000 0.105 0.000 1.051 288 I HN 0.381 nan 8.210 nan 0.000 0.413 289 E N 0.834 121.074 120.200 0.066 0.000 2.265 289 E HA -0.161 4.189 4.350 -0.000 0.000 0.196 289 E C 1.977 178.598 176.600 0.035 0.000 0.996 289 E CA 1.170 57.606 56.400 0.060 0.000 0.832 289 E CB -0.121 29.635 29.700 0.093 0.000 0.756 289 E HN 0.546 nan 8.360 nan 0.000 0.491 290 A N 0.371 123.177 122.820 -0.023 0.000 2.308 290 A HA 0.345 4.665 4.320 -0.000 0.000 0.217 290 A C 1.684 179.122 177.584 -0.243 0.000 1.216 290 A CA 0.615 52.548 52.037 -0.173 0.000 0.864 290 A CB 0.056 18.831 19.000 -0.375 0.000 0.902 290 A HN 0.281 nan 8.150 nan 0.000 0.499 291 G N -1.124 107.616 108.800 -0.100 0.000 2.143 291 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.248 291 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.248 291 G C 0.069 174.911 174.900 -0.097 0.000 0.991 291 G CA 0.230 45.297 45.100 -0.055 0.000 0.689 291 G HN 0.802 nan 8.290 nan 0.000 0.522 292 V N 1.816 121.639 119.914 -0.153 0.000 2.364 292 V HA 0.489 4.609 4.120 -0.000 0.000 0.272 292 V C 0.560 176.618 176.094 -0.061 0.000 1.036 292 V CA 0.285 62.500 62.300 -0.141 0.000 0.880 292 V CB 1.582 33.265 31.823 -0.234 0.000 0.991 292 V HN 0.475 nan 8.190 nan 0.000 0.460 293 D N 3.180 123.527 120.400 -0.089 0.000 2.513 293 D HA 0.307 4.947 4.640 -0.000 0.000 0.222 293 D C 0.157 176.326 176.300 -0.218 0.000 1.210 293 D CA 0.022 53.907 54.000 -0.191 0.000 0.825 293 D CB 1.009 41.730 40.800 -0.132 0.000 1.037 293 D HN 0.480 nan 8.370 nan 0.000 0.506 294 A N 0.746 123.488 122.820 -0.130 0.000 2.375 294 A HA 0.592 4.912 4.320 -0.000 0.000 0.291 294 A C -1.563 175.982 177.584 -0.064 0.000 1.160 294 A CA -0.769 51.211 52.037 -0.096 0.000 0.747 294 A CB 1.028 19.998 19.000 -0.049 0.000 1.170 294 A HN 0.184 nan 8.150 nan 0.000 0.458 295 L N 3.672 124.858 121.223 -0.063 0.000 2.325 295 L HA 0.705 5.045 4.340 -0.000 0.000 0.281 295 L C -1.076 175.778 176.870 -0.025 0.000 1.004 295 L CA -0.334 54.490 54.840 -0.028 0.000 0.823 295 L CB 1.061 43.132 42.059 0.018 0.000 1.236 295 L HN 0.607 nan 8.230 nan 0.000 0.415 296 I N 5.973 126.522 120.570 -0.036 0.000 2.362 296 I HA 0.453 4.623 4.170 -0.000 0.000 0.289 296 I C -0.705 175.374 176.117 -0.064 0.000 0.994 296 I CA -0.842 60.435 61.300 -0.038 0.000 1.158 296 I CB 1.926 39.906 38.000 -0.033 0.000 1.315 296 I HN 0.468 nan 8.210 nan 0.000 0.451 297 V N 6.469 126.346 119.914 -0.061 0.000 2.495 297 V HA 0.548 4.668 4.120 -0.000 0.000 0.298 297 V C -0.877 175.178 176.094 -0.066 0.000 1.031 297 V CA -0.450 61.791 62.300 -0.100 0.000 0.871 297 V CB 1.633 33.368 31.823 -0.145 0.000 0.988 297 V HN 0.919 nan 8.190 nan 0.000 0.432 298 C N 6.364 125.619 119.300 -0.075 0.000 2.322 298 C HA 1.047 5.506 4.460 -0.000 0.000 0.324 298 C C 0.584 175.544 174.990 -0.049 0.000 1.284 298 C CA 0.833 59.821 59.018 -0.049 0.000 1.606 298 C CB -0.279 27.435 27.740 -0.043 0.000 2.251 298 C HN 1.875 nan 8.230 nan 0.000 0.502 299 G N 3.714 112.498 108.800 -0.028 0.000 2.336 299 G HA2 0.505 4.465 3.960 -0.000 0.000 0.286 299 G HA3 0.505 4.465 3.960 -0.000 0.000 0.286 299 G C -0.293 174.605 174.900 -0.002 0.000 1.269 299 G CA 0.002 45.092 45.100 -0.017 0.000 0.873 299 G HN 1.258 nan 8.290 nan 0.000 0.494 300 G N -0.950 107.855 108.800 0.009 0.000 2.572 300 G HA2 0.439 4.399 3.960 -0.000 0.000 0.261 300 G HA3 0.439 4.399 3.960 -0.000 0.000 0.261 300 G C 0.870 175.785 174.900 0.025 0.000 1.197 300 G CA 0.994 46.102 45.100 0.013 0.000 0.870 300 G HN 1.066 nan 8.290 nan 0.000 0.548 301 D N -0.386 120.026 120.400 0.020 0.000 2.133 301 D HA -0.115 4.525 4.640 -0.000 0.000 0.195 301 D C 2.213 178.538 176.300 0.041 0.000 0.997 301 D CA 1.798 55.814 54.000 0.026 0.000 0.840 301 D CB -0.518 40.292 40.800 0.018 0.000 0.947 301 D HN 0.475 nan 8.370 nan 0.000 0.452 302 G N -0.248 108.576 108.800 0.040 0.000 2.513 302 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.219 302 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.219 302 G C 1.870 176.812 174.900 0.070 0.000 1.160 302 G CA 1.173 46.301 45.100 0.046 0.000 0.767 302 G HN 0.377 nan 8.290 nan 0.000 0.571 303 S N 0.165 115.920 115.700 0.093 0.000 2.402 303 S HA 0.059 4.529 4.470 -0.000 0.000 0.229 303 S C 2.311 177.012 174.600 0.169 0.000 1.021 303 S CA 0.583 58.886 58.200 0.172 0.000 0.974 303 S CB -0.165 63.121 63.200 0.143 0.000 0.800 303 S HN 0.330 nan 8.310 nan 0.000 0.484 304 L N 1.290 122.572 121.223 0.099 0.000 1.976 304 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 304 L C 3.073 180.005 176.870 0.103 0.000 1.071 304 L CA 1.812 56.704 54.840 0.087 0.000 0.746 304 L CB -1.633 40.456 42.059 0.051 0.000 0.890 304 L HN 0.471 nan 8.230 nan 0.000 0.432 305 T N -2.406 112.197 114.554 0.083 0.000 2.699 305 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 305 T C 1.953 176.715 174.700 0.104 0.000 1.036 305 T CA 1.270 63.418 62.100 0.080 0.000 1.147 305 T CB -1.245 67.658 68.868 0.058 0.000 0.862 305 T HN 0.421 nan 8.240 nan 0.000 0.446 306 G N 1.464 110.320 108.800 0.093 0.000 2.469 306 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.220 306 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.220 306 G C 1.924 176.931 174.900 0.177 0.000 1.136 306 G CA 1.203 46.339 45.100 0.060 0.000 0.759 306 G HN 0.833 nan 8.290 nan 0.000 0.562 307 A N 0.667 123.639 122.820 0.253 0.000 1.858 307 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 307 A C 2.117 179.874 177.584 0.289 0.000 1.190 307 A CA 2.042 54.269 52.037 0.317 0.000 0.617 307 A CB -0.697 18.439 19.000 0.226 0.000 0.827 307 A HN 0.399 nan 8.150 nan 0.000 0.443 308 D N 0.089 120.601 120.400 0.187 0.000 2.103 308 D HA -0.178 4.462 4.640 -0.000 0.000 0.190 308 D C 2.021 178.424 176.300 0.172 0.000 0.997 308 D CA 1.777 55.863 54.000 0.144 0.000 0.833 308 D CB -0.185 40.673 40.800 0.096 0.000 0.961 308 D HN 0.417 nan 8.370 nan 0.000 0.447 309 L N -0.064 121.264 121.223 0.174 0.000 2.021 309 L HA -0.234 4.106 4.340 -0.000 0.000 0.215 309 L C 2.718 179.742 176.870 0.256 0.000 1.074 309 L CA 1.323 56.266 54.840 0.172 0.000 0.760 309 L CB -0.772 41.373 42.059 0.145 0.000 0.889 309 L HN 0.120 nan 8.230 nan 0.000 0.433 310 F N 0.876 120.933 119.950 0.178 0.000 2.120 310 F HA -0.255 4.272 4.527 -0.000 0.000 0.300 310 F C 2.816 178.777 175.800 0.269 0.000 1.095 310 F CA 1.727 59.884 58.000 0.262 0.000 1.249 310 F CB -0.458 38.780 39.000 0.398 0.000 0.995 310 F HN -0.069 nan 8.300 nan 0.000 0.480 311 R N -0.306 120.317 120.500 0.206 0.000 2.083 311 R HA -0.148 4.192 4.340 -0.000 0.000 0.237 311 R C 2.375 178.717 176.300 0.069 0.000 1.137 311 R CA 1.884 58.012 56.100 0.047 0.000 0.951 311 R CB -0.544 29.785 30.300 0.048 0.000 0.851 311 R HN 0.280 nan 8.270 nan 0.000 0.434 312 S N 0.360 116.113 115.700 0.089 0.000 2.383 312 S HA -0.147 4.323 4.470 -0.000 0.000 0.227 312 S C 1.624 176.272 174.600 0.080 0.000 1.026 312 S CA 1.242 59.490 58.200 0.080 0.000 0.981 312 S CB -0.123 63.119 63.200 0.069 0.000 0.818 312 S HN 0.445 nan 8.310 nan 0.000 0.472 313 E N 0.105 120.352 120.200 0.077 0.000 2.418 313 E HA -0.107 4.243 4.350 -0.000 0.000 0.197 313 E C 1.572 178.168 176.600 -0.006 0.000 1.026 313 E CA 0.121 56.546 56.400 0.041 0.000 0.862 313 E CB -0.052 29.687 29.700 0.066 0.000 0.799 313 E HN 0.662 nan 8.360 nan 0.000 0.518 314 W N 1.655 122.815 121.300 -0.232 0.000 2.311 314 W HA -0.147 4.513 4.660 -0.000 0.000 0.326 314 W C -1.221 175.190 176.519 -0.180 0.000 1.239 314 W CA 1.782 58.943 57.345 -0.306 0.000 1.258 314 W CB -1.533 27.728 29.460 -0.331 0.000 1.165 314 W HN 0.111 nan 8.180 nan 0.000 0.466 315 P HA -0.261 nan 4.420 nan 0.000 0.217 315 P C 2.163 179.413 177.300 -0.085 0.000 1.162 315 P CA 3.307 66.399 63.100 -0.014 0.000 0.901 315 P CB -0.551 31.187 31.700 0.065 0.000 0.793 316 S N -1.404 114.264 115.700 -0.055 0.000 2.374 316 S HA -0.179 4.291 4.470 -0.000 0.000 0.227 316 S C 1.794 176.325 174.600 -0.115 0.000 1.037 316 S CA 1.303 59.467 58.200 -0.060 0.000 1.024 316 S CB -1.068 62.108 63.200 -0.038 0.000 0.861 316 S HN -0.040 nan 8.310 nan 0.000 0.456 317 L N 1.662 122.765 121.223 -0.200 0.000 2.005 317 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 317 L C 2.506 179.193 176.870 -0.305 0.000 1.072 317 L CA 1.704 56.387 54.840 -0.263 0.000 0.744 317 L CB -0.819 41.030 42.059 -0.351 0.000 0.895 317 L HN 0.482 nan 8.230 nan 0.000 0.433 318 I N -2.873 117.423 120.570 -0.457 0.000 2.335 318 I HA -0.219 3.951 4.170 -0.000 0.000 0.251 318 I C 2.400 178.519 176.117 0.003 0.000 1.129 318 I CA 1.343 62.452 61.300 -0.318 0.000 1.402 318 I CB -0.570 37.156 38.000 -0.456 0.000 1.069 318 I HN 0.253 nan 8.210 nan 0.000 0.424 319 E N 1.426 121.645 120.200 0.031 0.000 2.038 319 E HA -0.284 4.066 4.350 -0.000 0.000 0.195 319 E C 2.111 178.681 176.600 -0.050 0.000 1.000 319 E CA 1.886 58.315 56.400 0.048 0.000 0.803 319 E CB -0.261 29.454 29.700 0.025 0.000 0.750 319 E HN 0.691 nan 8.360 nan 0.000 0.448 320 E N 0.150 120.307 120.200 -0.072 0.000 2.085 320 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 320 E C 2.196 178.743 176.600 -0.087 0.000 0.994 320 E CA 0.607 56.959 56.400 -0.080 0.000 0.801 320 E CB 0.038 29.689 29.700 -0.083 0.000 0.743 320 E HN 0.073 nan 8.360 nan 0.000 0.453 321 L N 0.974 122.136 121.223 -0.102 0.000 2.013 321 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 321 L C 2.506 179.329 176.870 -0.079 0.000 1.073 321 L CA 1.473 56.253 54.840 -0.100 0.000 0.753 321 L CB -1.212 40.768 42.059 -0.132 0.000 0.890 321 L HN 0.397 nan 8.230 nan 0.000 0.432 322 L N -0.187 120.990 121.223 -0.077 0.000 1.976 322 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 322 L C 1.448 178.243 176.870 -0.126 0.000 1.071 322 L CA 0.924 55.688 54.840 -0.128 0.000 0.746 322 L CB -0.274 41.603 42.059 -0.303 0.000 0.890 322 L HN 0.135 nan 8.230 nan 0.000 0.432 323 K N 0.458 120.782 120.400 -0.125 0.000 2.972 323 K HA -0.093 4.227 4.320 -0.000 0.000 0.257 323 K C 0.113 176.666 176.600 -0.077 0.000 1.118 323 K CA 0.863 57.090 56.287 -0.100 0.000 1.142 323 K CB -0.782 31.665 32.500 -0.090 0.000 1.252 323 K HN 0.282 nan 8.250 nan 0.000 0.266 324 T N 0.116 114.626 114.554 -0.073 0.000 5.369 324 T HA -0.026 4.324 4.350 -0.000 0.000 0.319 324 T C -0.340 174.328 174.700 -0.054 0.000 1.141 324 T CA 0.247 62.312 62.100 -0.058 0.000 0.436 324 T CB -1.009 67.825 68.868 -0.058 0.000 0.506 324 T HN 0.593 nan 8.240 nan 0.000 0.261 325 N N 1.355 120.021 118.700 -0.058 0.000 1.461 325 N HA -0.249 4.491 4.740 -0.000 0.000 0.168 325 N C 0.924 176.407 175.510 -0.046 0.000 0.819 325 N CA 1.762 54.784 53.050 -0.047 0.000 1.102 325 N CB -1.044 37.422 38.487 -0.035 0.000 1.378 325 N HN 0.556 nan 8.380 nan 0.000 0.466 326 R N -0.027 120.450 120.500 -0.038 0.000 2.351 326 R HA -0.237 4.103 4.340 -0.000 0.000 0.152 326 R C 0.661 176.941 176.300 -0.034 0.000 0.888 326 R CA 2.373 58.447 56.100 -0.043 0.000 1.886 326 R CB -1.866 28.395 30.300 -0.066 0.000 0.907 326 R HN 0.776 nan 8.270 nan 0.000 0.665 327 I N -0.835 119.718 120.570 -0.029 0.000 2.545 327 I HA 0.506 4.676 4.170 -0.000 0.000 0.292 327 I C 0.470 176.591 176.117 0.006 0.000 1.040 327 I CA -0.883 60.414 61.300 -0.005 0.000 1.068 327 I CB 2.256 40.257 38.000 0.001 0.000 1.251 327 I HN 0.180 nan 8.210 nan 0.000 0.424 328 S N 3.202 118.914 115.700 0.020 0.000 2.596 328 S HA 0.136 4.606 4.470 -0.000 0.000 0.260 328 S C 0.638 175.260 174.600 0.036 0.000 1.336 328 S CA 0.124 58.334 58.200 0.018 0.000 0.993 328 S CB 0.964 64.178 63.200 0.023 0.000 0.923 328 S HN 0.868 nan 8.310 nan 0.000 0.567 329 N N 0.583 119.293 118.700 0.016 0.000 2.188 329 N HA -0.111 4.629 4.740 -0.000 0.000 0.184 329 N C 1.709 177.271 175.510 0.086 0.000 1.018 329 N CA 1.284 54.349 53.050 0.025 0.000 0.858 329 N CB -0.311 38.167 38.487 -0.015 0.000 0.989 329 N HN 0.801 nan 8.380 nan 0.000 0.426 330 E N 0.766 121.001 120.200 0.058 0.000 2.097 330 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 330 E C 1.750 178.394 176.600 0.074 0.000 1.000 330 E CA 1.605 58.041 56.400 0.059 0.000 0.804 330 E CB -0.135 29.590 29.700 0.042 0.000 0.740 330 E HN 0.485 nan 8.360 nan 0.000 0.454 331 Q N -1.344 118.504 119.800 0.080 0.000 2.016 331 Q HA -0.162 4.178 4.340 -0.000 0.000 0.200 331 Q C 2.023 178.083 176.000 0.100 0.000 0.978 331 Q CA 1.460 57.311 55.803 0.080 0.000 0.833 331 Q CB -0.438 28.341 28.738 0.069 0.000 0.895 331 Q HN 0.417 nan 8.270 nan 0.000 0.427 332 Y N 2.142 122.435 120.300 -0.010 0.000 2.062 332 Y HA -0.353 4.197 4.550 -0.000 0.000 0.276 332 Y C 2.123 178.015 175.900 -0.012 0.000 1.189 332 Y CA 2.006 60.090 58.100 -0.026 0.000 1.130 332 Y CB -0.000 38.432 38.460 -0.046 0.000 0.959 332 Y HN 0.091 nan 8.280 nan 0.000 0.499 333 E N -0.078 120.211 120.200 0.149 0.000 2.017 333 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 333 E C 2.260 178.851 176.600 -0.016 0.000 0.997 333 E CA 1.392 57.824 56.400 0.052 0.000 0.804 333 E CB -0.638 29.126 29.700 0.107 0.000 0.757 333 E HN 0.263 nan 8.360 nan 0.000 0.448 334 R N 1.277 121.791 120.500 0.023 0.000 2.204 334 R HA -0.145 4.195 4.340 -0.000 0.000 0.253 334 R C 1.300 177.607 176.300 0.010 0.000 1.172 334 R CA 1.645 57.758 56.100 0.022 0.000 0.994 334 R CB -0.265 30.058 30.300 0.038 0.000 0.874 334 R HN 0.343 nan 8.270 nan 0.000 0.462 335 M N -1.095 118.501 119.600 -0.007 0.000 4.445 335 M HA 0.220 4.700 4.480 -0.000 0.000 0.516 335 M C -0.385 175.939 176.300 0.039 0.000 2.177 335 M CA -0.412 54.902 55.300 0.022 0.000 0.440 335 M CB 1.323 33.974 32.600 0.086 0.000 1.599 335 M HN -0.105 nan 8.290 nan 0.000 0.571 336 K N -0.953 119.338 120.400 -0.183 0.000 2.487 336 K HA 0.185 4.505 4.320 -0.000 0.000 0.192 336 K C -0.450 175.943 176.600 -0.346 0.000 1.027 336 K CA 0.332 56.391 56.287 -0.380 0.000 1.054 336 K CB 0.154 32.214 32.500 -0.734 0.000 0.824 336 K HN 0.549 nan 8.250 nan 0.000 0.510 337 H N 0.626 119.708 119.070 0.020 0.000 2.717 337 H HA 0.309 4.865 4.556 -0.000 0.000 0.366 337 H C -1.395 173.555 175.328 -0.631 0.000 1.132 337 H CA -1.241 54.688 56.048 -0.198 0.000 1.180 337 H CB 2.039 31.721 29.762 -0.133 0.000 1.678 337 H HN -0.023 nan 8.280 nan 0.000 0.537 338 L N 3.055 123.794 121.223 -0.807 0.000 2.296 338 L HA 0.342 4.682 4.340 -0.000 0.000 0.286 338 L C -0.691 175.932 176.870 -0.411 0.000 1.023 338 L CA -0.370 53.893 54.840 -0.963 0.000 0.812 338 L CB 0.580 41.838 42.059 -1.336 0.000 1.223 338 L HN 0.490 nan 8.230 nan 0.000 0.421 339 N N 6.088 124.608 118.700 -0.299 0.000 2.408 339 N HA 0.696 5.436 4.740 -0.000 0.000 0.280 339 N C -0.760 174.679 175.510 -0.118 0.000 1.002 339 N CA -0.482 52.471 53.050 -0.162 0.000 0.907 339 N CB 1.488 39.904 38.487 -0.118 0.000 1.161 339 N HN 0.656 nan 8.380 nan 0.000 0.488 340 I N -2.202 118.327 120.570 -0.068 0.000 3.145 340 I HA 0.832 5.002 4.170 -0.000 0.000 0.313 340 I C -1.117 174.992 176.117 -0.014 0.000 1.122 340 I CA -0.977 60.307 61.300 -0.026 0.000 0.987 340 I CB 2.187 40.200 38.000 0.021 0.000 1.236 340 I HN 0.521 nan 8.210 nan 0.000 0.453 341 C N 2.126 121.423 119.300 -0.006 0.000 2.985 341 C HA 0.868 5.328 4.460 -0.000 0.000 0.332 341 C C 0.093 175.083 174.990 -0.001 0.000 1.164 341 C CA 0.097 59.113 59.018 -0.004 0.000 1.347 341 C CB 1.035 28.770 27.740 -0.010 0.000 1.764 341 C HN 1.189 nan 8.230 nan 0.000 0.489 342 G N 2.111 110.913 108.800 0.003 0.000 2.417 342 G HA2 0.698 4.658 3.960 -0.000 0.000 0.334 342 G HA3 0.698 4.658 3.960 -0.000 0.000 0.334 342 G C -0.925 173.971 174.900 -0.006 0.000 1.150 342 G CA -0.103 44.998 45.100 0.002 0.000 0.923 342 G HN 0.823 nan 8.290 nan 0.000 0.485 343 T N 0.428 114.975 114.554 -0.012 0.000 2.949 343 T HA 0.319 4.669 4.350 -0.000 0.000 0.300 343 T C -0.704 173.987 174.700 -0.015 0.000 0.988 343 T CA -0.267 61.824 62.100 -0.015 0.000 0.993 343 T CB 1.329 70.184 68.868 -0.022 0.000 0.984 343 T HN 0.636 nan 8.240 nan 0.000 0.442 344 V N 4.590 124.495 119.914 -0.014 0.000 2.408 344 V HA 0.830 4.950 4.120 -0.000 0.000 0.267 344 V C 0.315 176.396 176.094 -0.020 0.000 1.047 344 V CA 0.075 62.366 62.300 -0.016 0.000 0.937 344 V CB 0.351 32.164 31.823 -0.016 0.000 0.999 344 V HN 0.908 nan 8.190 nan 0.000 0.472 345 G N 4.447 113.235 108.800 -0.019 0.000 2.487 345 G HA2 0.621 4.581 3.960 -0.000 0.000 0.314 345 G HA3 0.621 4.581 3.960 -0.000 0.000 0.314 345 G C -0.744 174.146 174.900 -0.018 0.000 1.267 345 G CA -0.123 44.967 45.100 -0.018 0.000 0.937 345 G HN 1.213 nan 8.290 nan 0.000 0.481 346 S N 1.232 116.919 115.700 -0.022 0.000 2.580 346 S HA 0.215 4.685 4.470 -0.000 0.000 0.281 346 S C 0.740 175.324 174.600 -0.027 0.000 1.129 346 S CA -0.501 57.686 58.200 -0.022 0.000 0.862 346 S CB 0.833 64.017 63.200 -0.026 0.000 1.090 346 S HN 1.015 nan 8.310 nan 0.000 0.451 347 I N 0.131 120.694 120.570 -0.011 0.000 3.419 347 I HA 0.275 4.445 4.170 -0.000 0.000 0.286 347 I C 0.875 176.999 176.117 0.012 0.000 1.268 347 I CA 0.420 61.722 61.300 0.003 0.000 1.414 347 I CB -0.173 37.837 38.000 0.018 0.000 1.074 347 I HN 0.380 nan 8.210 nan 0.000 0.457 348 D N 1.574 121.972 120.400 -0.004 0.000 2.234 348 D HA -0.154 4.486 4.640 -0.000 0.000 0.205 348 D C 0.624 176.918 176.300 -0.010 0.000 0.962 348 D CA 0.803 54.818 54.000 0.024 0.000 0.855 348 D CB -0.428 40.381 40.800 0.014 0.000 0.951 348 D HN 0.422 nan 8.370 nan 0.000 0.500 349 N N 1.411 120.022 118.700 -0.148 0.000 2.727 349 N HA -0.177 4.563 4.740 -0.000 0.000 0.251 349 N C -1.065 174.340 175.510 -0.174 0.000 1.040 349 N CA 0.834 53.687 53.050 -0.329 0.000 0.712 349 N CB -0.903 37.048 38.487 -0.894 0.000 0.912 349 N HN 0.274 nan 8.380 nan 0.000 0.545 350 D N -1.368 118.980 120.400 -0.085 0.000 2.650 350 D HA 0.135 4.775 4.640 -0.000 0.000 0.265 350 D C 0.047 176.322 176.300 -0.041 0.000 1.339 350 D CA -0.277 53.700 54.000 -0.039 0.000 0.816 350 D CB -0.065 40.734 40.800 -0.003 0.000 1.091 350 D HN 0.235 nan 8.370 nan 0.000 0.483 351 M N 1.322 120.889 119.600 -0.056 0.000 2.061 351 M HA 0.273 4.753 4.480 -0.000 0.000 0.346 351 M C 0.471 176.748 176.300 -0.038 0.000 1.112 351 M CA -0.157 55.120 55.300 -0.037 0.000 1.021 351 M CB 1.302 33.881 32.600 -0.035 0.000 1.530 351 M HN -0.099 nan 8.290 nan 0.000 0.437 352 S N 2.262 117.946 115.700 -0.026 0.000 2.392 352 S HA -0.151 4.319 4.470 -0.000 0.000 0.232 352 S C 1.553 176.147 174.600 -0.011 0.000 1.041 352 S CA 2.308 60.496 58.200 -0.020 0.000 1.026 352 S CB -0.428 62.764 63.200 -0.014 0.000 0.845 352 S HN 0.878 nan 8.310 nan 0.000 0.465 353 T N -1.558 112.991 114.554 -0.008 0.000 3.148 353 T HA 0.120 4.470 4.350 -0.000 0.000 0.253 353 T C 0.558 175.258 174.700 -0.001 0.000 1.134 353 T CA 0.496 62.595 62.100 -0.000 0.000 1.051 353 T CB -0.034 68.835 68.868 0.003 0.000 0.959 353 T HN 0.212 nan 8.240 nan 0.000 0.525 354 T N 0.347 114.893 114.554 -0.012 0.000 2.863 354 T HA 0.350 4.700 4.350 -0.000 0.000 0.285 354 T C 0.151 174.833 174.700 -0.029 0.000 1.009 354 T CA -0.722 61.370 62.100 -0.013 0.000 0.989 354 T CB 1.575 70.431 68.868 -0.019 0.000 1.004 354 T HN -0.061 nan 8.240 nan 0.000 0.455 355 D N 2.429 122.827 120.400 -0.004 0.000 2.183 355 D HA 0.179 4.819 4.640 -0.000 0.000 0.203 355 D C 0.513 176.759 176.300 -0.090 0.000 0.969 355 D CA 0.704 54.699 54.000 -0.009 0.000 0.842 355 D CB 0.267 41.102 40.800 0.059 0.000 0.957 355 D HN 0.646 nan 8.370 nan 0.000 0.484 356 A N 0.477 123.268 122.820 -0.048 0.000 2.402 356 A HA 0.494 4.814 4.320 -0.000 0.000 0.291 356 A C -0.055 177.488 177.584 -0.069 0.000 1.051 356 A CA -0.738 51.240 52.037 -0.098 0.000 0.716 356 A CB 1.037 20.169 19.000 0.221 0.000 1.223 356 A HN -0.002 nan 8.150 nan 0.000 0.425 357 T N 0.561 115.015 114.554 -0.167 0.000 2.904 357 T HA 0.590 4.939 4.350 -0.000 0.000 0.290 357 T C 0.381 175.060 174.700 -0.035 0.000 1.018 357 T CA -0.421 61.623 62.100 -0.093 0.000 1.075 357 T CB 0.373 69.172 68.868 -0.115 0.000 0.986 357 T HN 0.435 nan 8.240 nan 0.000 0.523 358 I N 2.433 122.996 120.570 -0.012 0.000 2.598 358 I HA 0.345 4.515 4.170 -0.000 0.000 0.284 358 I C 1.600 177.728 176.117 0.018 0.000 1.140 358 I CA 1.010 62.318 61.300 0.013 0.000 1.420 358 I CB 0.028 38.025 38.000 -0.004 0.000 1.387 358 I HN 1.133 nan 8.210 nan 0.000 0.553 359 G N 4.141 112.976 108.800 0.058 0.000 2.284 359 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.216 359 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.216 359 G C 1.095 176.036 174.900 0.068 0.000 1.009 359 G CA 0.426 45.560 45.100 0.057 0.000 0.625 359 G HN 0.764 nan 8.290 nan 0.000 0.501 360 A N 0.280 123.105 122.820 0.008 0.000 1.859 360 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 360 A C 1.971 179.617 177.584 0.104 0.000 1.209 360 A CA 2.459 54.462 52.037 -0.058 0.000 0.639 360 A CB -0.875 17.837 19.000 -0.479 0.000 0.835 360 A HN 0.930 nan 8.150 nan 0.000 0.450 361 Y N 0.461 120.885 120.300 0.207 0.000 2.403 361 Y HA -0.143 4.407 4.550 -0.000 0.000 0.291 361 Y C 3.004 178.986 175.900 0.137 0.000 1.143 361 Y CA 1.254 59.490 58.100 0.226 0.000 1.257 361 Y CB -0.095 38.456 38.460 0.151 0.000 0.984 361 Y HN 0.298 nan 8.280 nan 0.000 0.550 362 S N -0.360 115.486 115.700 0.242 0.000 2.357 362 S HA -0.175 4.295 4.470 -0.000 0.000 0.221 362 S C 2.364 177.022 174.600 0.097 0.000 1.031 362 S CA 0.881 59.168 58.200 0.145 0.000 0.982 362 S CB -0.538 62.725 63.200 0.106 0.000 0.853 362 S HN 0.527 nan 8.310 nan 0.000 0.458 363 A N 1.596 124.471 122.820 0.091 0.000 1.883 363 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 363 A C 2.114 179.719 177.584 0.034 0.000 1.186 363 A CA 1.537 53.606 52.037 0.054 0.000 0.624 363 A CB -0.836 18.199 19.000 0.057 0.000 0.822 363 A HN 0.429 nan 8.150 nan 0.000 0.444 364 L N 0.374 121.632 121.223 0.057 0.000 2.079 364 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 364 L C 1.870 178.723 176.870 -0.029 0.000 1.081 364 L CA 2.856 57.678 54.840 -0.031 0.000 0.752 364 L CB -0.720 41.302 42.059 -0.061 0.000 0.896 364 L HN 0.524 nan 8.230 nan 0.000 0.433 365 D N -1.129 119.287 120.400 0.027 0.000 2.117 365 D HA -0.217 4.423 4.640 -0.000 0.000 0.198 365 D C 2.224 178.508 176.300 -0.026 0.000 0.982 365 D CA 0.921 54.924 54.000 0.004 0.000 0.828 365 D CB 0.028 40.850 40.800 0.038 0.000 0.967 365 D HN 0.080 nan 8.370 nan 0.000 0.464 366 R N 0.061 120.556 120.500 -0.008 0.000 2.081 366 R HA 0.021 4.361 4.340 -0.000 0.000 0.235 366 R C 2.327 178.605 176.300 -0.036 0.000 1.131 366 R CA 0.901 56.993 56.100 -0.013 0.000 0.960 366 R CB -0.647 29.655 30.300 0.003 0.000 0.856 366 R HN 0.358 nan 8.270 nan 0.000 0.436 367 I N -0.777 119.762 120.570 -0.051 0.000 2.142 367 I HA -0.373 3.797 4.170 -0.000 0.000 0.240 367 I C 2.034 178.091 176.117 -0.099 0.000 1.078 367 I CA 1.369 62.624 61.300 -0.075 0.000 1.343 367 I CB -0.309 37.632 38.000 -0.098 0.000 1.046 367 I HN 0.186 nan 8.210 nan 0.000 0.405 368 C N 0.597 119.828 119.300 -0.115 0.000 2.419 368 C HA -0.132 4.328 4.460 -0.000 0.000 0.283 368 C C 2.680 177.571 174.990 -0.165 0.000 1.373 368 C CA 0.712 59.648 59.018 -0.137 0.000 1.781 368 C CB -1.151 26.509 27.740 -0.133 0.000 1.886 368 C HN 0.416 nan 8.230 nan 0.000 0.520 369 K N 0.969 121.272 120.400 -0.161 0.000 2.103 369 K HA -0.001 4.319 4.320 -0.000 0.000 0.204 369 K C 2.284 178.703 176.600 -0.301 0.000 1.052 369 K CA 1.299 57.426 56.287 -0.267 0.000 0.945 369 K CB -0.203 32.183 32.500 -0.190 0.000 0.722 369 K HN 0.461 nan 8.250 nan 0.000 0.443 370 A N 1.169 123.933 122.820 -0.094 0.000 1.897 370 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 370 A C 2.048 179.607 177.584 -0.041 0.000 1.181 370 A CA 1.099 53.154 52.037 0.030 0.000 0.620 370 A CB -0.478 18.532 19.000 0.017 0.000 0.821 370 A HN 0.153 nan 8.150 nan 0.000 0.443 371 I N -0.196 120.313 120.570 -0.102 0.000 2.286 371 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 371 I C 2.217 178.255 176.117 -0.133 0.000 1.115 371 I CA 1.858 63.088 61.300 -0.118 0.000 1.392 371 I CB -0.352 37.581 38.000 -0.112 0.000 1.065 371 I HN 0.389 nan 8.210 nan 0.000 0.418 372 D N 0.004 120.295 120.400 -0.182 0.000 2.178 372 D HA -0.220 4.420 4.640 -0.000 0.000 0.201 372 D C 2.020 178.234 176.300 -0.145 0.000 0.980 372 D CA 1.542 55.423 54.000 -0.198 0.000 0.842 372 D CB 0.048 40.680 40.800 -0.280 0.000 0.948 372 D HN 0.245 nan 8.370 nan 0.000 0.472 373 Y N 0.052 120.287 120.300 -0.109 0.000 2.130 373 Y HA -0.071 4.479 4.550 -0.000 0.000 0.287 373 Y C 2.622 178.422 175.900 -0.167 0.000 1.124 373 Y CA 0.545 58.577 58.100 -0.114 0.000 1.118 373 Y CB -0.997 37.399 38.460 -0.107 0.000 0.994 373 Y HN -0.126 nan 8.280 nan 0.000 0.497 374 V N 0.342 120.214 119.914 -0.070 0.000 2.370 374 V HA -0.341 3.779 4.120 -0.000 0.000 0.252 374 V C 2.297 178.202 176.094 -0.315 0.000 1.068 374 V CA 2.288 64.373 62.300 -0.359 0.000 1.061 374 V CB -0.611 30.892 31.823 -0.532 0.000 0.656 374 V HN 0.353 nan 8.190 nan 0.000 0.455 375 E N 0.263 120.371 120.200 -0.153 0.000 2.110 375 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 375 E C 2.154 178.747 176.600 -0.013 0.000 0.988 375 E CA 1.511 57.870 56.400 -0.068 0.000 0.804 375 E CB -0.387 29.280 29.700 -0.055 0.000 0.745 375 E HN 0.578 nan 8.360 nan 0.000 0.458 376 A N -0.476 122.340 122.820 -0.007 0.000 1.930 376 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 376 A C 2.462 180.082 177.584 0.060 0.000 1.175 376 A CA 2.000 54.056 52.037 0.032 0.000 0.627 376 A CB -1.072 17.954 19.000 0.043 0.000 0.815 376 A HN 0.391 nan 8.150 nan 0.000 0.443 377 T N -0.928 113.646 114.554 0.034 0.000 2.942 377 T HA 0.111 4.461 4.350 -0.000 0.000 0.265 377 T C 1.971 176.781 174.700 0.183 0.000 1.062 377 T CA 1.671 63.821 62.100 0.083 0.000 1.139 377 T CB -0.442 68.433 68.868 0.010 0.000 0.883 377 T HN 0.498 nan 8.240 nan 0.000 0.468 378 A N 1.463 124.403 122.820 0.201 0.000 1.908 378 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 378 A C 2.171 179.908 177.584 0.256 0.000 1.181 378 A CA 2.256 54.534 52.037 0.402 0.000 0.627 378 A CB -1.206 18.052 19.000 0.431 0.000 0.818 378 A HN 0.689 nan 8.150 nan 0.000 0.445 379 N N -0.486 118.315 118.700 0.168 0.000 2.289 379 N HA -0.103 4.637 4.740 -0.000 0.000 0.184 379 N C 1.779 177.373 175.510 0.141 0.000 1.016 379 N CA 1.448 54.574 53.050 0.127 0.000 0.872 379 N CB -0.113 38.422 38.487 0.079 0.000 0.973 379 N HN 0.349 nan 8.380 nan 0.000 0.433 380 S N -0.767 115.050 115.700 0.195 0.000 2.356 380 S HA -0.107 4.363 4.470 -0.000 0.000 0.223 380 S C 0.808 175.496 174.600 0.147 0.000 1.032 380 S CA 1.144 59.462 58.200 0.195 0.000 1.005 380 S CB -0.329 63.061 63.200 0.316 0.000 0.867 380 S HN 0.554 nan 8.310 nan 0.000 0.449 381 H N 0.599 119.715 119.070 0.078 0.000 2.520 381 H HA 0.420 4.976 4.556 -0.000 0.000 0.284 381 H C 0.618 175.979 175.328 0.054 0.000 1.037 381 H CA -0.382 55.702 56.048 0.061 0.000 1.168 381 H CB -0.113 29.687 29.762 0.063 0.000 1.497 381 H HN 0.088 nan 8.280 nan 0.000 0.547 382 S N 0.991 116.791 115.700 0.167 0.000 3.486 382 S HA -0.245 4.225 4.470 -0.000 0.000 0.371 382 S C 0.712 175.378 174.600 0.111 0.000 1.001 382 S CA 0.440 58.711 58.200 0.120 0.000 1.164 382 S CB -0.968 62.281 63.200 0.082 0.000 0.911 382 S HN 0.507 nan 8.310 nan 0.000 0.472 383 R N 0.473 121.053 120.500 0.132 0.000 2.519 383 R HA 0.749 5.089 4.340 -0.000 0.000 0.244 383 R C 0.255 176.564 176.300 0.016 0.000 1.241 383 R CA -0.065 56.049 56.100 0.024 0.000 1.120 383 R CB 0.513 30.752 30.300 -0.102 0.000 1.333 383 R HN 0.333 nan 8.270 nan 0.000 0.587 384 A N 0.922 123.653 122.820 -0.149 0.000 2.374 384 A HA 0.658 4.978 4.320 -0.000 0.000 0.305 384 A C -1.398 176.039 177.584 -0.245 0.000 1.053 384 A CA -0.538 51.460 52.037 -0.065 0.000 0.726 384 A CB 0.791 19.768 19.000 -0.039 0.000 1.229 384 A HN 0.479 nan 8.150 nan 0.000 0.431 385 F N 1.262 121.239 119.950 0.045 0.000 2.520 385 F HA 0.534 5.061 4.527 -0.000 0.000 0.322 385 F C -0.011 175.805 175.800 0.027 0.000 1.103 385 F CA -0.683 57.338 58.000 0.035 0.000 0.926 385 F CB 2.632 41.642 39.000 0.018 0.000 1.154 385 F HN 0.271 nan 8.300 nan 0.000 0.453 386 V N 4.451 124.482 119.914 0.194 0.000 2.294 386 V HA 0.285 4.405 4.120 -0.000 0.000 0.272 386 V C -0.524 175.615 176.094 0.074 0.000 1.027 386 V CA -0.723 61.627 62.300 0.083 0.000 0.823 386 V CB 1.079 32.915 31.823 0.020 0.000 1.030 386 V HN 0.486 nan 8.190 nan 0.000 0.457 387 V N 4.617 124.562 119.914 0.051 0.000 2.353 387 V HA 0.258 4.378 4.120 -0.000 0.000 0.264 387 V C 0.558 176.636 176.094 -0.027 0.000 1.049 387 V CA -0.438 61.871 62.300 0.015 0.000 0.896 387 V CB 1.110 32.930 31.823 -0.004 0.000 1.025 387 V HN 0.870 nan 8.190 nan 0.000 0.475 388 E N 4.038 124.218 120.200 -0.034 0.000 2.257 388 E HA 0.355 4.705 4.350 -0.000 0.000 0.278 388 E C -0.976 175.593 176.600 -0.052 0.000 1.049 388 E CA -0.134 56.234 56.400 -0.052 0.000 0.876 388 E CB 1.453 31.122 29.700 -0.052 0.000 1.035 388 E HN 0.480 nan 8.360 nan 0.000 0.419 389 V N 5.304 125.183 119.914 -0.058 0.000 2.881 389 V HA 0.314 4.434 4.120 -0.000 0.000 0.316 389 V C 0.713 176.773 176.094 -0.058 0.000 1.070 389 V CA -0.628 61.635 62.300 -0.062 0.000 0.976 389 V CB 2.011 33.790 31.823 -0.074 0.000 1.038 389 V HN 0.823 nan 8.190 nan 0.000 0.446 390 M N 1.596 121.159 119.600 -0.061 0.000 1.774 390 M HA 0.412 4.892 4.480 -0.000 0.000 0.176 390 M C 1.310 177.596 176.300 -0.024 0.000 1.202 390 M CA 0.988 56.253 55.300 -0.058 0.000 0.883 390 M CB 0.266 32.816 32.600 -0.083 0.000 1.104 390 M HN 0.915 nan 8.290 nan 0.000 0.482 391 G N -0.522 108.271 108.800 -0.011 0.000 2.227 391 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.168 391 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.168 391 G C 0.496 175.408 174.900 0.021 0.000 1.006 391 G CA 0.472 45.588 45.100 0.027 0.000 0.684 391 G HN 0.785 nan 8.290 nan 0.000 0.489 392 R N -0.816 119.684 120.500 0.001 0.000 3.951 392 R HA -0.316 4.024 4.340 -0.000 0.000 0.335 392 R C 0.878 177.185 176.300 0.012 0.000 0.258 392 R CA 2.435 58.537 56.100 0.004 0.000 1.115 392 R CB -1.559 28.745 30.300 0.007 0.000 0.967 392 R HN 0.372 nan 8.270 nan 0.000 0.574 393 N N -0.280 118.430 118.700 0.018 0.000 2.203 393 N HA 0.137 4.876 4.740 -0.000 0.000 0.207 393 N C -0.169 175.357 175.510 0.027 0.000 1.130 393 N CA 0.557 53.618 53.050 0.018 0.000 0.861 393 N CB 0.272 38.769 38.487 0.015 0.000 1.005 393 N HN 0.293 nan 8.380 nan 0.000 0.507 394 C N -0.697 118.632 119.300 0.049 0.000 2.358 394 C HA 0.733 5.193 4.460 -0.000 0.000 0.354 394 C C 1.626 176.695 174.990 0.132 0.000 1.183 394 C CA -0.407 58.667 59.018 0.093 0.000 2.150 394 C CB 0.774 28.583 27.740 0.115 0.000 2.361 394 C HN 0.457 nan 8.230 nan 0.000 0.535 395 G N 1.205 110.138 108.800 0.221 0.000 3.519 395 G HA2 0.047 4.007 3.960 -0.000 0.000 0.269 395 G HA3 0.047 4.007 3.960 -0.000 0.000 0.269 395 G C 0.773 175.792 174.900 0.198 0.000 1.028 395 G CA -0.021 45.191 45.100 0.188 0.000 0.809 395 G HN 0.956 nan 8.290 nan 0.000 0.521 396 W N 1.255 122.654 121.300 0.164 0.000 2.318 396 W HA -0.119 4.541 4.660 -0.000 0.000 0.313 396 W C 1.931 178.359 176.519 -0.152 0.000 1.221 396 W CA 1.508 58.865 57.345 0.020 0.000 1.266 396 W CB -0.082 29.413 29.460 0.058 0.000 1.150 396 W HN 0.145 nan 8.180 nan 0.000 0.496 397 L N 0.042 121.224 121.223 -0.067 0.000 2.027 397 L HA -0.173 4.167 4.340 -0.000 0.000 0.206 397 L C 2.764 179.420 176.870 -0.356 0.000 1.074 397 L CA 1.458 56.133 54.840 -0.275 0.000 0.745 397 L CB -1.466 40.575 42.059 -0.029 0.000 0.898 397 L HN 0.070 nan 8.230 nan 0.000 0.433 398 A N 0.038 122.721 122.820 -0.228 0.000 1.883 398 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 398 A C 2.181 179.540 177.584 -0.374 0.000 1.186 398 A CA 1.912 53.808 52.037 -0.235 0.000 0.624 398 A CB -0.774 18.146 19.000 -0.134 0.000 0.822 398 A HN 0.324 nan 8.150 nan 0.000 0.444 399 L N -0.256 120.703 121.223 -0.440 0.000 1.943 399 L HA -0.148 4.192 4.340 -0.000 0.000 0.215 399 L C 2.203 178.658 176.870 -0.692 0.000 1.074 399 L CA 1.851 56.339 54.840 -0.587 0.000 0.759 399 L CB -0.763 40.920 42.059 -0.627 0.000 0.888 399 L HN 0.290 nan 8.230 nan 0.000 0.433 400 L N -0.043 120.670 121.223 -0.851 0.000 2.051 400 L HA -0.266 4.074 4.340 -0.000 0.000 0.214 400 L C 2.758 179.279 176.870 -0.581 0.000 1.076 400 L CA 2.165 56.496 54.840 -0.847 0.000 0.758 400 L CB -2.068 39.288 42.059 -1.173 0.000 0.890 400 L HN 0.551 nan 8.230 nan 0.000 0.433 401 A N -0.073 122.439 122.820 -0.513 0.000 1.865 401 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 401 A C 2.469 179.857 177.584 -0.327 0.000 1.191 401 A CA 1.839 53.664 52.037 -0.354 0.000 0.623 401 A CB -1.253 17.573 19.000 -0.289 0.000 0.826 401 A HN 0.433 nan 8.150 nan 0.000 0.444 402 G N -0.087 108.464 108.800 -0.414 0.000 2.469 402 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 402 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 402 G C 1.538 176.210 174.900 -0.381 0.000 1.150 402 G CA 1.204 46.030 45.100 -0.457 0.000 0.763 402 G HN 0.490 nan 8.290 nan 0.000 0.561 403 I N 1.212 121.523 120.570 -0.431 0.000 2.179 403 I HA -0.181 3.989 4.170 -0.000 0.000 0.242 403 I C 3.314 179.387 176.117 -0.073 0.000 1.088 403 I CA 1.038 62.255 61.300 -0.137 0.000 1.357 403 I CB -0.281 37.601 38.000 -0.198 0.000 1.051 403 I HN 0.262 nan 8.210 nan 0.000 0.409 404 A N 0.586 123.303 122.820 -0.171 0.000 1.902 404 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 404 A C 2.287 179.798 177.584 -0.122 0.000 1.181 404 A CA 2.373 54.325 52.037 -0.141 0.000 0.623 404 A CB -1.046 17.845 19.000 -0.182 0.000 0.818 404 A HN 0.530 nan 8.150 nan 0.000 0.443 405 T N -4.298 110.179 114.554 -0.128 0.000 3.107 405 T HA 0.252 4.602 4.350 -0.000 0.000 0.249 405 T C 0.525 175.180 174.700 -0.074 0.000 1.096 405 T CA 0.788 62.823 62.100 -0.110 0.000 1.012 405 T CB -0.353 68.449 68.868 -0.110 0.000 0.977 405 T HN 0.600 nan 8.240 nan 0.000 0.527 406 S N 0.761 116.448 115.700 -0.021 0.000 3.706 406 S HA -0.094 4.376 4.470 -0.000 0.000 0.363 406 S C 0.631 175.299 174.600 0.113 0.000 0.999 406 S CA 0.109 58.351 58.200 0.070 0.000 1.143 406 S CB -2.305 60.846 63.200 -0.083 0.000 0.902 406 S HN 1.238 nan 8.310 nan 0.000 0.476 407 A N 0.381 123.287 122.820 0.144 0.000 2.406 407 A HA 0.392 4.712 4.320 -0.000 0.000 0.243 407 A C 0.962 178.737 177.584 0.318 0.000 1.082 407 A CA 0.208 52.344 52.037 0.165 0.000 0.786 407 A CB 0.167 19.217 19.000 0.084 0.000 1.029 407 A HN 0.470 nan 8.150 nan 0.000 0.495 408 D N -1.486 119.093 120.400 0.297 0.000 2.277 408 D HA 0.172 4.812 4.640 -0.000 0.000 0.208 408 D C -0.545 176.079 176.300 0.541 0.000 0.962 408 D CA 1.773 56.000 54.000 0.379 0.000 0.865 408 D CB 0.065 41.077 40.800 0.352 0.000 0.939 408 D HN 0.472 nan 8.370 nan 0.000 0.510 409 Y N -0.275 120.242 120.300 0.361 0.000 2.521 409 Y HA 0.259 4.809 4.550 -0.000 0.000 0.326 409 Y C -1.791 174.293 175.900 0.306 0.000 1.176 409 Y CA -1.500 56.819 58.100 0.366 0.000 1.079 409 Y CB 1.010 39.646 38.460 0.294 0.000 1.341 409 Y HN -0.199 nan 8.280 nan 0.000 0.456 410 I N 0.933 121.501 120.570 -0.004 0.000 2.646 410 I HA 0.614 4.784 4.170 -0.000 0.000 0.299 410 I C -1.734 174.369 176.117 -0.022 0.000 1.036 410 I CA -0.853 60.443 61.300 -0.007 0.000 1.074 410 I CB 2.223 40.051 38.000 -0.287 0.000 1.258 410 I HN 0.452 nan 8.210 nan 0.000 0.430 411 F N 6.508 126.399 119.950 -0.098 0.000 2.359 411 F HA 0.526 5.053 4.527 -0.000 0.000 0.370 411 F C 0.157 175.893 175.800 -0.106 0.000 1.077 411 F CA -0.787 57.153 58.000 -0.099 0.000 1.136 411 F CB 1.266 40.185 39.000 -0.135 0.000 1.387 411 F HN 0.414 nan 8.300 nan 0.000 0.468 412 I N 2.416 122.983 120.570 -0.004 0.000 2.562 412 I HA 0.566 4.736 4.170 -0.000 0.000 0.301 412 I C -1.888 174.214 176.117 -0.026 0.000 1.003 412 I CA -2.588 58.716 61.300 0.007 0.000 1.127 412 I CB 2.579 40.596 38.000 0.027 0.000 1.304 412 I HN 0.113 nan 8.210 nan 0.000 0.446 413 P HA -0.030 nan 4.420 nan 0.000 0.233 413 P C 0.615 177.809 177.300 -0.176 0.000 1.167 413 P CA 1.058 64.105 63.100 -0.087 0.000 0.770 413 P CB 0.309 31.986 31.700 -0.040 0.000 0.837 414 E N 0.136 120.270 120.200 -0.110 0.000 2.435 414 E HA 0.005 4.355 4.350 -0.000 0.000 0.195 414 E C 1.073 177.560 176.600 -0.189 0.000 1.029 414 E CA 0.627 56.939 56.400 -0.147 0.000 0.865 414 E CB -0.127 29.492 29.700 -0.135 0.000 0.833 414 E HN 0.241 nan 8.360 nan 0.000 0.510 415 K N 0.348 120.631 120.400 -0.195 0.000 2.920 415 K HA 0.193 4.513 4.320 -0.000 0.000 0.175 415 K C -2.366 174.093 176.600 -0.234 0.000 1.099 415 K CA -1.470 54.716 56.287 -0.168 0.000 0.939 415 K CB 0.866 33.354 32.500 -0.020 0.000 1.148 415 K HN -0.181 nan 8.250 nan 0.000 0.613 416 P HA -0.115 nan 4.420 nan 0.000 0.220 416 P C -0.138 177.135 177.300 -0.045 0.000 1.148 416 P CA 0.539 63.461 63.100 -0.297 0.000 0.803 416 P CB 0.089 31.463 31.700 -0.542 0.000 0.782 417 A N -0.351 122.478 122.820 0.014 0.000 1.898 417 A HA -0.075 4.245 4.320 -0.000 0.000 0.338 417 A C 0.906 178.576 177.584 0.143 0.000 0.853 417 A CA 1.729 53.840 52.037 0.122 0.000 1.514 417 A CB -1.405 17.654 19.000 0.099 0.000 0.632 417 A HN 0.355 nan 8.150 nan 0.000 0.231 418 T N -0.219 114.442 114.554 0.179 0.000 2.726 418 T HA 0.314 4.664 4.350 -0.000 0.000 0.172 418 T C 1.195 175.982 174.700 0.145 0.000 1.241 418 T CA 1.463 63.689 62.100 0.209 0.000 0.875 418 T CB -0.611 68.516 68.868 0.433 0.000 1.987 418 T HN 1.847 nan 8.240 nan 0.000 0.338 419 S N -0.568 115.249 115.700 0.194 0.000 1.411 419 S HA -0.197 4.273 4.470 -0.000 0.000 0.245 419 S C 1.216 175.727 174.600 -0.148 0.000 0.674 419 S CA 2.266 60.517 58.200 0.086 0.000 1.197 419 S CB -1.953 61.290 63.200 0.072 0.000 1.384 419 S HN 0.860 nan 8.310 nan 0.000 0.504 420 S N 0.346 115.955 115.700 -0.152 0.000 2.589 420 S HA 0.218 4.688 4.470 -0.000 0.000 0.235 420 S C 1.214 175.683 174.600 -0.219 0.000 1.051 420 S CA -0.083 57.969 58.200 -0.246 0.000 0.978 420 S CB 0.377 63.497 63.200 -0.135 0.000 0.929 420 S HN 0.538 nan 8.310 nan 0.000 0.523 421 E N 1.935 122.082 120.200 -0.087 0.000 2.047 421 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 421 E C 1.984 178.618 176.600 0.057 0.000 0.987 421 E CA 1.295 57.696 56.400 0.002 0.000 0.799 421 E CB -0.275 29.469 29.700 0.074 0.000 0.752 421 E HN 0.805 nan 8.360 nan 0.000 0.449 422 W N 2.780 124.090 121.300 0.017 0.000 2.342 422 W HA -0.216 4.444 4.660 -0.000 0.000 0.297 422 W C 1.653 178.138 176.519 -0.056 0.000 1.213 422 W CA 0.959 58.291 57.345 -0.022 0.000 1.251 422 W CB -0.543 28.902 29.460 -0.025 0.000 1.136 422 W HN -0.005 nan 8.180 nan 0.000 0.526 423 Q N 1.054 120.700 119.800 -0.256 0.000 2.084 423 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 423 Q C 1.538 177.488 176.000 -0.082 0.000 0.978 423 Q CA 1.825 57.483 55.803 -0.242 0.000 0.844 423 Q CB -1.057 27.324 28.738 -0.595 0.000 0.898 423 Q HN 0.406 nan 8.270 nan 0.000 0.426 424 D N 0.874 121.214 120.400 -0.100 0.000 2.120 424 D HA -0.108 4.532 4.640 -0.000 0.000 0.202 424 D C 2.047 178.323 176.300 -0.040 0.000 0.972 424 D CA 0.886 54.847 54.000 -0.064 0.000 0.837 424 D CB -0.082 40.682 40.800 -0.060 0.000 0.989 424 D HN 0.139 nan 8.370 nan 0.000 0.469 425 Q N 0.769 120.566 119.800 -0.004 0.000 2.029 425 Q HA -0.188 4.152 4.340 -0.000 0.000 0.209 425 Q C 2.182 178.126 176.000 -0.094 0.000 0.999 425 Q CA 1.604 57.430 55.803 0.039 0.000 0.857 425 Q CB -0.342 28.507 28.738 0.186 0.000 0.926 425 Q HN 0.287 nan 8.270 nan 0.000 0.415 426 M N -1.141 118.209 119.600 -0.416 0.000 2.059 426 M HA -0.214 4.265 4.480 -0.000 0.000 0.259 426 M C 2.144 178.322 176.300 -0.203 0.000 1.072 426 M CA 1.914 56.801 55.300 -0.688 0.000 1.117 426 M CB -0.405 31.754 32.600 -0.734 0.000 1.320 426 M HN 0.408 nan 8.290 nan 0.000 0.408 427 C N 1.184 120.427 119.300 -0.095 0.000 2.401 427 C HA -0.209 4.251 4.460 -0.000 0.000 0.276 427 C C 2.558 177.517 174.990 -0.052 0.000 1.233 427 C CA 1.586 60.578 59.018 -0.044 0.000 1.753 427 C CB -1.413 26.308 27.740 -0.031 0.000 2.029 427 C HN 0.691 nan 8.230 nan 0.000 0.478 428 D N 0.333 120.695 120.400 -0.062 0.000 2.088 428 D HA -0.161 4.479 4.640 -0.000 0.000 0.191 428 D C 1.967 178.204 176.300 -0.106 0.000 0.992 428 D CA 1.544 55.504 54.000 -0.068 0.000 0.831 428 D CB -0.243 40.524 40.800 -0.056 0.000 0.973 428 D HN 0.365 nan 8.370 nan 0.000 0.447 429 I N 0.734 121.237 120.570 -0.112 0.000 2.361 429 I HA -0.196 3.974 4.170 -0.000 0.000 0.251 429 I C 2.320 178.291 176.117 -0.244 0.000 1.133 429 I CA 0.791 61.948 61.300 -0.237 0.000 1.413 429 I CB -0.288 37.643 38.000 -0.114 0.000 1.073 429 I HN -0.071 nan 8.210 nan 0.000 0.424 430 V N 0.014 119.907 119.914 -0.035 0.000 2.237 430 V HA -0.289 3.831 4.120 -0.000 0.000 0.245 430 V C 2.598 178.706 176.094 0.025 0.000 1.046 430 V CA 2.180 64.523 62.300 0.071 0.000 1.007 430 V CB -0.967 30.901 31.823 0.075 0.000 0.638 430 V HN 0.455 nan 8.190 nan 0.000 0.445 431 S N -0.435 115.253 115.700 -0.020 0.000 2.365 431 S HA -0.292 4.178 4.470 -0.000 0.000 0.225 431 S C 1.956 176.534 174.600 -0.037 0.000 1.039 431 S CA 1.896 60.086 58.200 -0.017 0.000 1.033 431 S CB -0.365 62.818 63.200 -0.030 0.000 0.887 431 S HN 0.577 nan 8.310 nan 0.000 0.447 432 K N 0.053 120.377 120.400 -0.127 0.000 2.057 432 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 432 K C 2.125 178.631 176.600 -0.157 0.000 1.049 432 K CA 1.331 57.526 56.287 -0.152 0.000 0.931 432 K CB -0.318 32.036 32.500 -0.245 0.000 0.714 432 K HN 0.400 nan 8.250 nan 0.000 0.440 433 H N 0.904 119.832 119.070 -0.236 0.000 2.270 433 H HA -0.044 4.512 4.556 -0.000 0.000 0.299 433 H C 2.277 177.714 175.328 0.181 0.000 1.077 433 H CA 1.450 57.444 56.048 -0.091 0.000 1.294 433 H CB -0.142 29.654 29.762 0.058 0.000 1.371 433 H HN 0.150 nan 8.280 nan 0.000 0.491 434 R N 0.470 121.122 120.500 0.252 0.000 2.080 434 R HA -0.117 4.223 4.340 -0.000 0.000 0.236 434 R C 2.602 179.000 176.300 0.163 0.000 1.137 434 R CA 1.776 57.992 56.100 0.194 0.000 0.943 434 R CB -0.354 30.023 30.300 0.127 0.000 0.846 434 R HN 0.383 nan 8.270 nan 0.000 0.431 435 S N 0.679 116.447 115.700 0.114 0.000 2.419 435 S HA -0.176 4.293 4.470 -0.000 0.000 0.235 435 S C 1.880 176.552 174.600 0.120 0.000 1.019 435 S CA 1.230 59.483 58.200 0.089 0.000 0.982 435 S CB -0.163 63.065 63.200 0.046 0.000 0.789 435 S HN 0.217 nan 8.310 nan 0.000 0.490 436 R N 0.877 121.485 120.500 0.182 0.000 2.334 436 R HA 0.357 4.697 4.340 -0.000 0.000 0.220 436 R C 1.347 177.860 176.300 0.355 0.000 0.917 436 R CA 0.703 56.942 56.100 0.232 0.000 1.073 436 R CB -0.223 30.189 30.300 0.188 0.000 1.056 436 R HN 0.544 nan 8.270 nan 0.000 0.506 437 G N -0.033 108.951 108.800 0.308 0.000 3.180 437 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.197 437 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.197 437 G C -0.577 174.443 174.900 0.199 0.000 1.149 437 G CA -0.258 44.989 45.100 0.246 0.000 0.847 437 G HN 0.259 nan 8.290 nan 0.000 0.469 438 K N 2.077 122.638 120.400 0.267 0.000 2.440 438 K HA 0.150 4.470 4.320 -0.000 0.000 0.275 438 K C 1.592 178.270 176.600 0.130 0.000 1.082 438 K CA 0.300 56.672 56.287 0.141 0.000 1.135 438 K CB 0.185 32.799 32.500 0.189 0.000 0.864 438 K HN 0.445 nan 8.250 nan 0.000 0.479 439 R N 1.608 122.159 120.500 0.085 0.000 2.193 439 R HA -0.029 4.311 4.340 -0.000 0.000 0.213 439 R C 0.553 176.912 176.300 0.099 0.000 1.055 439 R CA 1.102 57.255 56.100 0.088 0.000 0.995 439 R CB -0.032 30.313 30.300 0.074 0.000 0.893 439 R HN 0.680 nan 8.270 nan 0.000 0.459 440 T N -2.035 112.577 114.554 0.097 0.000 2.950 440 T HA 0.457 4.807 4.350 -0.000 0.000 0.288 440 T C -0.160 174.614 174.700 0.124 0.000 1.035 440 T CA -0.687 61.485 62.100 0.119 0.000 1.028 440 T CB 2.573 71.510 68.868 0.115 0.000 1.109 440 T HN -0.242 nan 8.240 nan 0.000 0.514 441 T N 2.402 117.043 114.554 0.146 0.000 2.965 441 T HA 0.479 4.829 4.350 -0.000 0.000 0.306 441 T C -0.961 173.844 174.700 0.176 0.000 0.991 441 T CA -0.616 61.573 62.100 0.149 0.000 1.001 441 T CB 0.438 69.381 68.868 0.126 0.000 0.984 441 T HN 0.527 nan 8.240 nan 0.000 0.446 442 I N 4.095 124.764 120.570 0.166 0.000 2.382 442 I HA 0.408 4.578 4.170 -0.000 0.000 0.286 442 I C -0.271 175.949 176.117 0.172 0.000 1.002 442 I CA -0.887 60.510 61.300 0.162 0.000 1.135 442 I CB 1.520 39.581 38.000 0.102 0.000 1.288 442 I HN 0.306 nan 8.210 nan 0.000 0.448 443 V N 7.464 127.479 119.914 0.168 0.000 2.313 443 V HA 0.297 4.417 4.120 -0.000 0.000 0.278 443 V C 0.240 176.404 176.094 0.116 0.000 1.017 443 V CA -0.723 61.695 62.300 0.196 0.000 0.823 443 V CB 1.933 33.870 31.823 0.189 0.000 1.010 443 V HN 0.399 nan 8.190 nan 0.000 0.443 444 V N 6.095 126.068 119.914 0.099 0.000 2.488 444 V HA 0.281 4.401 4.120 -0.000 0.000 0.277 444 V C 0.129 176.248 176.094 0.041 0.000 1.046 444 V CA -0.202 62.106 62.300 0.014 0.000 0.986 444 V CB 1.533 33.312 31.823 -0.075 0.000 0.989 444 V HN 0.578 nan 8.190 nan 0.000 0.475 445 V N 5.088 124.987 119.914 -0.026 0.000 2.349 445 V HA 0.550 4.670 4.120 -0.000 0.000 0.284 445 V C 0.614 176.682 176.094 -0.043 0.000 1.014 445 V CA -0.764 61.504 62.300 -0.053 0.000 0.826 445 V CB 1.347 33.036 31.823 -0.224 0.000 1.009 445 V HN 1.007 nan 8.190 nan 0.000 0.431 446 A N 3.673 126.490 122.820 -0.004 0.000 2.565 446 A HA 0.141 4.461 4.320 -0.000 0.000 0.237 446 A C 1.463 179.032 177.584 -0.026 0.000 1.053 446 A CA 0.569 52.597 52.037 -0.015 0.000 0.755 446 A CB 0.131 19.136 19.000 0.008 0.000 0.980 446 A HN 1.078 nan 8.150 nan 0.000 0.506 447 E N 2.506 122.688 120.200 -0.030 0.000 2.160 447 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 447 E C 1.067 177.655 176.600 -0.020 0.000 0.991 447 E CA 1.243 57.623 56.400 -0.033 0.000 0.810 447 E CB -0.176 29.503 29.700 -0.036 0.000 0.742 447 E HN 0.648 nan 8.360 nan 0.000 0.466 448 G N 0.762 109.557 108.800 -0.008 0.000 3.702 448 G HA2 0.485 4.445 3.960 -0.000 0.000 0.288 448 G HA3 0.485 4.445 3.960 -0.000 0.000 0.288 448 G C 0.092 174.995 174.900 0.005 0.000 1.193 448 G CA -0.024 45.077 45.100 0.001 0.000 0.952 448 G HN 0.414 nan 8.290 nan 0.000 0.544 449 A N 0.680 123.504 122.820 0.007 0.000 2.386 449 A HA 0.739 5.059 4.320 -0.000 0.000 0.248 449 A C 0.226 177.826 177.584 0.025 0.000 1.082 449 A CA -0.121 51.929 52.037 0.023 0.000 0.789 449 A CB 0.261 19.305 19.000 0.073 0.000 1.025 449 A HN 0.893 nan 8.150 nan 0.000 0.490 450 I N -2.824 117.760 120.570 0.024 0.000 3.195 450 I HA 0.830 5.000 4.170 -0.000 0.000 0.313 450 I C -0.050 176.109 176.117 0.070 0.000 1.237 450 I CA -1.249 60.081 61.300 0.049 0.000 0.963 450 I CB 1.763 39.782 38.000 0.031 0.000 1.278 450 I HN 0.712 nan 8.210 nan 0.000 0.460 451 A N 1.364 124.269 122.820 0.141 0.000 2.247 451 A HA 0.816 5.136 4.320 -0.000 0.000 0.313 451 A C 1.183 178.860 177.584 0.156 0.000 1.109 451 A CA -0.074 52.085 52.037 0.204 0.000 0.890 451 A CB 0.752 19.937 19.000 0.308 0.000 1.239 451 A HN 1.159 nan 8.150 nan 0.000 0.506 452 A N -0.177 122.762 122.820 0.198 0.000 2.070 452 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 452 A C 1.124 178.880 177.584 0.287 0.000 1.159 452 A CA 2.007 54.222 52.037 0.297 0.000 0.656 452 A CB -0.767 18.412 19.000 0.298 0.000 0.800 452 A HN 0.836 nan 8.150 nan 0.000 0.453 453 D N -1.539 118.979 120.400 0.197 0.000 2.323 453 D HA 0.206 4.846 4.640 -0.000 0.000 0.239 453 D C 0.531 176.921 176.300 0.150 0.000 1.129 453 D CA -0.132 53.961 54.000 0.155 0.000 0.865 453 D CB -0.192 40.679 40.800 0.118 0.000 0.913 453 D HN 0.117 nan 8.370 nan 0.000 0.517 454 L N -0.624 120.706 121.223 0.179 0.000 5.051 454 L HA -0.220 4.120 4.340 -0.000 0.000 0.432 454 L C 0.681 177.616 176.870 0.109 0.000 1.055 454 L CA 1.556 56.484 54.840 0.146 0.000 1.095 454 L CB -2.791 39.352 42.059 0.139 0.000 1.957 454 L HN 0.515 nan 8.230 nan 0.000 0.727 455 T N -1.331 113.291 114.554 0.114 0.000 2.913 455 T HA 0.549 4.899 4.350 -0.000 0.000 0.297 455 T C -2.018 172.746 174.700 0.106 0.000 1.029 455 T CA -1.378 60.784 62.100 0.103 0.000 1.104 455 T CB 1.469 70.404 68.868 0.111 0.000 0.964 455 T HN 0.161 nan 8.240 nan 0.000 0.532 456 P HA 0.344 nan 4.420 nan 0.000 0.275 456 P C -0.642 176.712 177.300 0.090 0.000 1.228 456 P CA -0.460 62.683 63.100 0.072 0.000 0.786 456 P CB 0.655 32.384 31.700 0.047 0.000 0.927 457 I N 1.743 122.350 120.570 0.061 0.000 2.355 457 I HA 0.182 4.352 4.170 -0.000 0.000 0.288 457 I C 1.042 177.114 176.117 -0.074 0.000 0.999 457 I CA -0.533 60.781 61.300 0.023 0.000 1.163 457 I CB 1.565 39.554 38.000 -0.018 0.000 1.316 457 I HN 0.357 nan 8.210 nan 0.000 0.454 458 S N 6.102 121.760 115.700 -0.070 0.000 2.687 458 S HA 0.517 4.987 4.470 -0.000 0.000 0.283 458 S C -2.088 172.408 174.600 -0.173 0.000 1.170 458 S CA -1.351 56.793 58.200 -0.094 0.000 1.008 458 S CB 1.962 65.141 63.200 -0.035 0.000 1.026 458 S HN 0.291 nan 8.310 nan 0.000 0.541 459 P HA -0.037 nan 4.420 nan 0.000 0.216 459 P C 1.454 178.699 177.300 -0.092 0.000 1.150 459 P CA 1.285 64.287 63.100 -0.165 0.000 0.837 459 P CB -0.085 31.550 31.700 -0.109 0.000 0.786 460 S N -0.315 115.356 115.700 -0.048 0.000 2.353 460 S HA -0.196 4.274 4.470 -0.000 0.000 0.222 460 S C 1.578 176.223 174.600 0.074 0.000 1.035 460 S CA 1.662 59.874 58.200 0.019 0.000 1.025 460 S CB -1.341 61.864 63.200 0.008 0.000 0.902 460 S HN 0.228 nan 8.310 nan 0.000 0.440 461 D N 1.227 121.653 120.400 0.044 0.000 2.133 461 D HA -0.116 4.524 4.640 -0.000 0.000 0.192 461 D C 2.042 178.436 176.300 0.157 0.000 1.001 461 D CA 1.229 55.308 54.000 0.131 0.000 0.844 461 D CB -0.633 40.257 40.800 0.150 0.000 0.944 461 D HN 0.294 nan 8.370 nan 0.000 0.447 462 V N 0.845 120.702 119.914 -0.095 0.000 2.453 462 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 462 V C 2.371 178.471 176.094 0.010 0.000 1.048 462 V CA 1.424 63.623 62.300 -0.168 0.000 1.049 462 V CB -0.677 30.788 31.823 -0.597 0.000 0.672 462 V HN 0.364 nan 8.190 nan 0.000 0.457 463 H N 1.621 120.653 119.070 -0.063 0.000 2.267 463 H HA -0.247 4.309 4.556 -0.000 0.000 0.297 463 H C 2.457 177.788 175.328 0.004 0.000 1.080 463 H CA 2.503 58.529 56.048 -0.036 0.000 1.278 463 H CB 0.015 29.751 29.762 -0.044 0.000 1.365 463 H HN 0.444 nan 8.280 nan 0.000 0.489 464 K N 0.481 120.889 120.400 0.015 0.000 2.015 464 K HA -0.153 4.167 4.320 -0.000 0.000 0.216 464 K C 2.289 178.864 176.600 -0.041 0.000 1.052 464 K CA 2.360 58.636 56.287 -0.019 0.000 0.937 464 K CB -0.347 32.206 32.500 0.088 0.000 0.719 464 K HN 0.163 nan 8.250 nan 0.000 0.446 465 V N 1.703 121.653 119.914 0.060 0.000 2.282 465 V HA -0.287 3.833 4.120 -0.000 0.000 0.249 465 V C 2.520 178.619 176.094 0.008 0.000 1.057 465 V CA 1.603 63.946 62.300 0.071 0.000 1.032 465 V CB -0.563 31.401 31.823 0.235 0.000 0.645 465 V HN 0.382 nan 8.190 nan 0.000 0.447 466 L N -0.303 120.910 121.223 -0.017 0.000 2.079 466 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 466 L C 2.387 179.194 176.870 -0.105 0.000 1.081 466 L CA 1.915 56.722 54.840 -0.054 0.000 0.752 466 L CB -1.090 40.925 42.059 -0.073 0.000 0.896 466 L HN 0.271 nan 8.230 nan 0.000 0.433 467 V N -0.626 119.174 119.914 -0.190 0.000 2.302 467 V HA -0.181 3.939 4.120 -0.000 0.000 0.243 467 V C 2.222 178.256 176.094 -0.099 0.000 1.036 467 V CA 1.374 63.567 62.300 -0.180 0.000 1.020 467 V CB -0.357 31.294 31.823 -0.288 0.000 0.657 467 V HN 0.293 nan 8.190 nan 0.000 0.453 468 D N -0.071 120.280 120.400 -0.081 0.000 2.077 468 D HA -0.125 4.515 4.640 -0.000 0.000 0.193 468 D C 2.381 178.658 176.300 -0.038 0.000 0.989 468 D CA 1.204 55.176 54.000 -0.047 0.000 0.831 468 D CB -0.297 40.483 40.800 -0.033 0.000 0.979 468 D HN 0.105 nan 8.370 nan 0.000 0.449 469 R N 0.123 120.602 120.500 -0.035 0.000 2.061 469 R HA -0.012 4.328 4.340 -0.000 0.000 0.230 469 R C 2.018 178.301 176.300 -0.027 0.000 1.140 469 R CA 0.610 56.691 56.100 -0.031 0.000 0.940 469 R CB -0.462 29.820 30.300 -0.030 0.000 0.839 469 R HN 0.196 nan 8.270 nan 0.000 0.429 470 L N -0.250 120.957 121.223 -0.026 0.000 2.529 470 L HA 0.124 4.464 4.340 -0.000 0.000 0.223 470 L C 0.720 177.576 176.870 -0.024 0.000 1.113 470 L CA 1.140 55.968 54.840 -0.020 0.000 0.861 470 L CB -0.726 41.326 42.059 -0.012 0.000 1.012 470 L HN 0.509 nan 8.230 nan 0.000 0.461 471 G N 1.593 110.371 108.800 -0.036 0.000 2.323 471 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.292 471 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.292 471 G C -0.091 174.787 174.900 -0.036 0.000 1.040 471 G CA 0.682 45.759 45.100 -0.038 0.000 0.942 471 G HN 0.330 nan 8.290 nan 0.000 0.506 472 L N -2.630 118.564 121.223 -0.048 0.000 2.342 472 L HA 0.821 5.161 4.340 -0.000 0.000 0.271 472 L C 0.073 176.902 176.870 -0.069 0.000 1.008 472 L CA -2.106 52.709 54.840 -0.041 0.000 0.818 472 L CB 1.070 43.116 42.059 -0.022 0.000 1.296 472 L HN -0.019 nan 8.230 nan 0.000 0.427 473 D N 1.138 121.505 120.400 -0.055 0.000 2.451 473 D HA 0.219 4.859 4.640 -0.000 0.000 0.254 473 D C -0.679 175.538 176.300 -0.138 0.000 1.204 473 D CA 0.726 54.682 54.000 -0.073 0.000 0.896 473 D CB 0.411 41.186 40.800 -0.041 0.000 1.136 473 D HN 0.763 nan 8.370 nan 0.000 0.499 474 T N 4.907 119.383 114.554 -0.131 0.000 2.893 474 T HA 0.596 4.946 4.350 -0.000 0.000 0.291 474 T C -0.177 174.495 174.700 -0.047 0.000 1.028 474 T CA -0.925 61.088 62.100 -0.145 0.000 0.995 474 T CB 1.698 70.481 68.868 -0.142 0.000 1.051 474 T HN 0.170 nan 8.240 nan 0.000 0.470 475 R N 1.490 121.848 120.500 -0.237 0.000 2.795 475 R HA 0.616 4.955 4.340 -0.000 0.000 0.275 475 R C -1.027 175.274 176.300 0.002 0.000 0.981 475 R CA -0.781 55.223 56.100 -0.159 0.000 0.917 475 R CB 2.053 32.175 30.300 -0.297 0.000 1.202 475 R HN 0.579 nan 8.270 nan 0.000 0.469 476 I N 0.886 121.453 120.570 -0.006 0.000 2.460 476 I HA 0.362 4.532 4.170 -0.000 0.000 0.298 476 I C -0.158 176.005 176.117 0.077 0.000 0.989 476 I CA -0.405 60.906 61.300 0.019 0.000 1.173 476 I CB 2.284 40.227 38.000 -0.096 0.000 1.338 476 I HN 0.351 nan 8.210 nan 0.000 0.456 477 T N 3.065 117.672 114.554 0.088 0.000 2.840 477 T HA 0.334 4.684 4.350 -0.000 0.000 0.287 477 T C -0.410 174.297 174.700 0.011 0.000 0.991 477 T CA -0.524 61.612 62.100 0.059 0.000 0.964 477 T CB 1.435 70.340 68.868 0.061 0.000 0.954 477 T HN 0.449 nan 8.240 nan 0.000 0.438 478 T N 4.500 119.053 114.554 -0.002 0.000 2.947 478 T HA 0.292 4.642 4.350 -0.000 0.000 0.337 478 T C 1.718 176.411 174.700 -0.012 0.000 1.139 478 T CA -0.586 61.505 62.100 -0.014 0.000 0.992 478 T CB 0.337 69.195 68.868 -0.016 0.000 1.043 478 T HN 0.445 nan 8.240 nan 0.000 0.498 479 L N 2.141 123.352 121.223 -0.021 0.000 2.129 479 L HA -0.013 4.327 4.340 -0.000 0.000 0.212 479 L C 2.005 178.869 176.870 -0.009 0.000 1.087 479 L CA 1.180 56.010 54.840 -0.017 0.000 0.757 479 L CB -1.308 40.734 42.059 -0.029 0.000 0.896 479 L HN 0.929 nan 8.230 nan 0.000 0.434 480 G N -0.198 108.584 108.800 -0.029 0.000 2.564 480 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.273 480 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.273 480 G C 0.259 175.109 174.900 -0.084 0.000 1.242 480 G CA 0.734 45.816 45.100 -0.030 0.000 0.951 480 G HN 0.463 nan 8.290 nan 0.000 0.564 481 H N 0.659 119.723 119.070 -0.010 0.000 2.561 481 H HA 0.132 4.688 4.556 -0.000 0.000 0.278 481 H C 2.668 177.991 175.328 -0.009 0.000 1.014 481 H CA 1.544 57.587 56.048 -0.009 0.000 1.211 481 H CB -0.394 29.361 29.762 -0.011 0.000 1.365 481 H HN 0.860 nan 8.280 nan 0.000 0.594 482 V N -1.053 118.907 119.914 0.076 0.000 2.568 482 V HA -0.301 3.819 4.120 -0.000 0.000 0.253 482 V C 1.664 177.774 176.094 0.027 0.000 1.072 482 V CA 1.685 64.012 62.300 0.046 0.000 1.084 482 V CB -0.438 31.404 31.823 0.031 0.000 0.676 482 V HN 0.398 nan 8.190 nan 0.000 0.469 483 Q N -0.214 119.588 119.800 0.003 0.000 2.364 483 Q HA -0.039 4.301 4.340 -0.000 0.000 0.209 483 Q C 2.215 178.215 176.000 0.000 0.000 0.977 483 Q CA 1.130 56.926 55.803 -0.012 0.000 0.885 483 Q CB -0.150 28.562 28.738 -0.044 0.000 0.941 483 Q HN 0.588 nan 8.270 nan 0.000 0.464 484 R N -0.357 120.154 120.500 0.017 0.000 2.265 484 R HA 0.144 4.484 4.340 -0.000 0.000 0.194 484 R C 0.949 177.269 176.300 0.033 0.000 0.931 484 R CA 0.504 56.624 56.100 0.032 0.000 1.032 484 R CB 0.342 30.687 30.300 0.075 0.000 0.980 484 R HN 0.154 nan 8.270 nan 0.000 0.497 485 G N -0.357 108.463 108.800 0.033 0.000 2.543 485 G HA2 0.488 4.448 3.960 -0.000 0.000 0.267 485 G HA3 0.488 4.448 3.960 -0.000 0.000 0.267 485 G C -0.141 174.765 174.900 0.009 0.000 1.406 485 G CA 0.194 45.304 45.100 0.017 0.000 1.048 485 G HN 0.346 nan 8.290 nan 0.000 0.548 486 G N -2.192 106.608 108.800 -0.000 0.000 2.746 486 G HA2 0.320 4.280 3.960 -0.000 0.000 0.685 486 G HA3 0.320 4.280 3.960 -0.000 0.000 0.685 486 G C 0.136 175.031 174.900 -0.008 0.000 1.350 486 G CA 0.405 45.505 45.100 -0.001 0.000 0.837 486 G HN 1.859 nan 8.290 nan 0.000 0.564 487 T N -1.092 113.457 114.554 -0.008 0.000 2.913 487 T HA 0.801 5.151 4.350 -0.000 0.000 0.287 487 T C 0.912 175.616 174.700 0.007 0.000 1.008 487 T CA 0.851 62.944 62.100 -0.012 0.000 1.067 487 T CB 1.413 70.272 68.868 -0.015 0.000 0.996 487 T HN 2.346 nan 8.240 nan 0.000 0.513 488 A N 3.215 126.040 122.820 0.008 0.000 2.511 488 A HA 0.490 4.810 4.320 -0.000 0.000 0.242 488 A C 0.644 178.252 177.584 0.041 0.000 1.069 488 A CA -0.607 51.448 52.037 0.029 0.000 0.763 488 A CB -0.205 18.809 19.000 0.022 0.000 1.001 488 A HN 0.910 nan 8.150 nan 0.000 0.498 489 V N 2.628 122.585 119.914 0.072 0.000 2.963 489 V HA 0.160 4.280 4.120 -0.000 0.000 0.306 489 V C 1.915 178.058 176.094 0.080 0.000 1.077 489 V CA 0.758 63.108 62.300 0.083 0.000 1.124 489 V CB 0.736 32.636 31.823 0.128 0.000 0.987 489 V HN 1.213 nan 8.190 nan 0.000 0.487 490 A N 3.585 126.444 122.820 0.066 0.000 1.896 490 A HA -0.301 4.019 4.320 -0.000 0.000 0.220 490 A C 1.980 179.601 177.584 0.062 0.000 1.206 490 A CA 2.669 54.737 52.037 0.052 0.000 0.647 490 A CB -1.065 17.964 19.000 0.048 0.000 0.828 490 A HN 1.034 nan 8.150 nan 0.000 0.455 491 Y N 0.869 121.159 120.300 -0.016 0.000 2.114 491 Y HA -0.262 4.288 4.550 -0.000 0.000 0.282 491 Y C 2.106 178.013 175.900 0.012 0.000 1.165 491 Y CA 2.252 60.330 58.100 -0.036 0.000 1.148 491 Y CB -0.224 38.153 38.460 -0.138 0.000 0.972 491 Y HN 0.387 nan 8.280 nan 0.000 0.504 492 D N -0.465 119.992 120.400 0.094 0.000 2.097 492 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 492 D C 2.308 178.576 176.300 -0.054 0.000 0.984 492 D CA 1.264 55.280 54.000 0.026 0.000 0.826 492 D CB -0.217 40.654 40.800 0.118 0.000 0.973 492 D HN 0.399 nan 8.370 nan 0.000 0.460 493 R N 0.385 120.869 120.500 -0.026 0.000 2.082 493 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 493 R C 2.628 178.884 176.300 -0.073 0.000 1.136 493 R CA 1.006 57.084 56.100 -0.036 0.000 0.935 493 R CB -0.517 29.772 30.300 -0.020 0.000 0.842 493 R HN 0.235 nan 8.270 nan 0.000 0.430 494 I N 0.800 121.317 120.570 -0.088 0.000 2.264 494 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 494 I C 2.428 178.453 176.117 -0.153 0.000 1.111 494 I CA 0.844 62.089 61.300 -0.092 0.000 1.382 494 I CB -0.296 37.691 38.000 -0.023 0.000 1.060 494 I HN 0.158 nan 8.210 nan 0.000 0.418 495 L N 1.264 122.317 121.223 -0.282 0.000 2.005 495 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 495 L C 2.560 179.346 176.870 -0.140 0.000 1.072 495 L CA 2.172 56.842 54.840 -0.284 0.000 0.744 495 L CB -0.838 40.956 42.059 -0.442 0.000 0.895 495 L HN 0.158 nan 8.230 nan 0.000 0.433 496 A N -1.589 121.167 122.820 -0.107 0.000 1.972 496 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 496 A C 2.241 179.791 177.584 -0.057 0.000 1.169 496 A CA 2.150 54.150 52.037 -0.062 0.000 0.635 496 A CB -1.188 17.789 19.000 -0.039 0.000 0.810 496 A HN 0.537 nan 8.150 nan 0.000 0.446 497 T N 0.365 114.879 114.554 -0.067 0.000 2.746 497 T HA -0.057 4.293 4.350 -0.000 0.000 0.267 497 T C 1.785 176.447 174.700 -0.064 0.000 1.039 497 T CA 1.418 63.478 62.100 -0.067 0.000 1.142 497 T CB -0.307 68.514 68.868 -0.077 0.000 0.866 497 T HN 0.384 nan 8.240 nan 0.000 0.444 498 L N 0.565 121.752 121.223 -0.061 0.000 2.072 498 L HA -0.065 4.275 4.340 -0.000 0.000 0.205 498 L C 2.925 179.776 176.870 -0.032 0.000 1.079 498 L CA 1.239 56.053 54.840 -0.043 0.000 0.752 498 L CB -0.570 41.471 42.059 -0.031 0.000 0.906 498 L HN 0.279 nan 8.230 nan 0.000 0.436 499 Q N -0.115 119.663 119.800 -0.037 0.000 2.124 499 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 499 Q C 2.276 178.262 176.000 -0.024 0.000 0.977 499 Q CA 1.487 57.274 55.803 -0.026 0.000 0.850 499 Q CB -0.377 28.343 28.738 -0.030 0.000 0.901 499 Q HN 0.617 nan 8.270 nan 0.000 0.429 500 G N 1.430 110.211 108.800 -0.032 0.000 2.446 500 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 500 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 500 G C 1.398 176.283 174.900 -0.025 0.000 1.168 500 G CA 0.878 45.959 45.100 -0.031 0.000 0.771 500 G HN 0.291 nan 8.290 nan 0.000 0.551 501 L N 0.930 122.137 121.223 -0.027 0.000 2.012 501 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 501 L C 2.510 179.384 176.870 0.007 0.000 1.073 501 L CA 2.818 57.651 54.840 -0.011 0.000 0.748 501 L CB -0.928 41.119 42.059 -0.019 0.000 0.891 501 L HN 0.303 nan 8.230 nan 0.000 0.431 502 E N -0.052 120.149 120.200 0.002 0.000 2.110 502 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 502 E C 2.109 178.713 176.600 0.006 0.000 0.988 502 E CA 1.469 57.874 56.400 0.009 0.000 0.804 502 E CB -0.455 29.249 29.700 0.005 0.000 0.745 502 E HN 0.581 nan 8.360 nan 0.000 0.458 503 A N 0.007 122.825 122.820 -0.002 0.000 1.940 503 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 503 A C 2.484 180.068 177.584 -0.001 0.000 1.176 503 A CA 1.698 53.732 52.037 -0.005 0.000 0.631 503 A CB -0.740 18.253 19.000 -0.012 0.000 0.814 503 A HN 0.212 nan 8.150 nan 0.000 0.446 504 V N 0.785 120.702 119.914 0.005 0.000 2.307 504 V HA -0.234 3.885 4.120 -0.000 0.000 0.245 504 V C 2.284 178.389 176.094 0.019 0.000 1.045 504 V CA 2.039 64.348 62.300 0.014 0.000 1.024 504 V CB -0.925 30.915 31.823 0.029 0.000 0.651 504 V HN 0.556 nan 8.190 nan 0.000 0.449 505 N N 0.749 119.465 118.700 0.026 0.000 2.094 505 N HA -0.178 4.562 4.740 -0.000 0.000 0.191 505 N C 1.861 177.379 175.510 0.013 0.000 1.023 505 N CA 1.798 54.864 53.050 0.027 0.000 0.857 505 N CB -0.564 37.942 38.487 0.032 0.000 1.013 505 N HN 0.508 nan 8.380 nan 0.000 0.426 506 A N 0.873 123.697 122.820 0.007 0.000 1.858 506 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 506 A C 2.473 180.051 177.584 -0.009 0.000 1.190 506 A CA 2.227 54.263 52.037 -0.001 0.000 0.617 506 A CB -1.021 17.977 19.000 -0.002 0.000 0.827 506 A HN 0.216 nan 8.150 nan 0.000 0.443 507 V N -2.017 117.891 119.914 -0.011 0.000 2.515 507 V HA -0.130 3.990 4.120 -0.000 0.000 0.250 507 V C 2.179 178.260 176.094 -0.022 0.000 1.058 507 V CA 1.770 64.057 62.300 -0.022 0.000 1.064 507 V CB -0.923 30.885 31.823 -0.025 0.000 0.675 507 V HN 0.446 nan 8.190 nan 0.000 0.461 508 L N 1.235 122.453 121.223 -0.008 0.000 2.275 508 L HA -0.042 4.298 4.340 -0.000 0.000 0.215 508 L C 2.526 179.390 176.870 -0.010 0.000 1.119 508 L CA 1.932 56.769 54.840 -0.005 0.000 0.790 508 L CB -0.361 41.703 42.059 0.009 0.000 0.919 508 L HN 0.667 nan 8.230 nan 0.000 0.443 509 E N -1.075 119.119 120.200 -0.011 0.000 2.548 509 E HA 0.076 4.426 4.350 -0.000 0.000 0.206 509 E C 0.597 177.183 176.600 -0.024 0.000 1.005 509 E CA -0.175 56.217 56.400 -0.014 0.000 0.951 509 E CB 0.377 30.073 29.700 -0.006 0.000 1.035 509 E HN 0.177 nan 8.360 nan 0.000 0.470 510 S N 1.329 117.010 115.700 -0.032 0.000 2.601 510 S HA 0.341 4.811 4.470 -0.000 0.000 0.271 510 S C 0.240 174.803 174.600 -0.061 0.000 1.305 510 S CA 0.095 58.269 58.200 -0.044 0.000 1.022 510 S CB 1.297 64.469 63.200 -0.047 0.000 0.940 510 S HN 0.302 nan 8.310 nan 0.000 0.525 511 T N -0.126 114.383 114.554 -0.075 0.000 2.887 511 T HA 0.589 4.939 4.350 -0.000 0.000 0.292 511 T C -2.507 172.101 174.700 -0.154 0.000 1.087 511 T CA -1.812 60.224 62.100 -0.107 0.000 1.009 511 T CB 1.012 69.827 68.868 -0.088 0.000 1.203 511 T HN 0.302 nan 8.240 nan 0.000 0.518 512 P HA -0.026 nan 4.420 nan 0.000 0.220 512 P C 0.219 177.414 177.300 -0.176 0.000 1.144 512 P CA 1.212 64.108 63.100 -0.340 0.000 0.800 512 P CB -0.074 31.240 31.700 -0.643 0.000 0.772 513 D N -2.762 117.563 120.400 -0.125 0.000 2.366 513 D HA -0.025 4.615 4.640 -0.000 0.000 0.205 513 D C 0.438 176.706 176.300 -0.052 0.000 1.022 513 D CA 0.418 54.374 54.000 -0.073 0.000 0.868 513 D CB -0.448 40.318 40.800 -0.057 0.000 0.953 513 D HN 0.191 nan 8.370 nan 0.000 0.514 514 T N -0.044 114.476 114.554 -0.057 0.000 2.851 514 T HA 0.365 4.715 4.350 -0.000 0.000 0.298 514 T C -2.465 172.217 174.700 -0.031 0.000 0.977 514 T CA -1.752 60.325 62.100 -0.039 0.000 1.126 514 T CB 1.180 70.025 68.868 -0.038 0.000 0.916 514 T HN -0.259 nan 8.240 nan 0.000 0.529 515 P HA 0.221 nan 4.420 nan 0.000 0.272 515 P C -0.232 177.064 177.300 -0.007 0.000 1.223 515 P CA -0.401 62.694 63.100 -0.009 0.000 0.784 515 P CB 0.389 32.087 31.700 -0.003 0.000 0.923 516 S N 4.498 120.198 115.700 0.000 0.000 2.555 516 S HA 0.092 4.562 4.470 -0.000 0.000 0.293 516 S C -1.696 172.907 174.600 0.006 0.000 1.248 516 S CA -0.426 57.776 58.200 0.005 0.000 1.096 516 S CB -0.634 62.578 63.200 0.021 0.000 0.881 516 S HN 0.401 nan 8.310 nan 0.000 0.498 517 P HA 0.482 nan 4.420 nan 0.000 0.277 517 P C -0.830 176.473 177.300 0.005 0.000 1.271 517 P CA -0.727 62.374 63.100 0.002 0.000 0.795 517 P CB 0.872 32.570 31.700 -0.003 0.000 1.101 518 L N 0.012 121.238 121.223 0.004 0.000 2.641 518 L HA 0.454 4.793 4.340 -0.000 0.000 0.261 518 L C -1.605 175.266 176.870 0.002 0.000 0.926 518 L CA -0.892 53.951 54.840 0.004 0.000 0.917 518 L CB 1.411 43.474 42.059 0.007 0.000 1.361 518 L HN 0.041 nan 8.230 nan 0.000 0.417 519 I N 4.345 124.914 120.570 -0.001 0.000 2.428 519 I HA 0.814 4.984 4.170 -0.000 0.000 0.289 519 I C 0.596 176.712 176.117 -0.002 0.000 1.019 519 I CA 0.512 61.811 61.300 -0.001 0.000 1.351 519 I CB 1.537 39.534 38.000 -0.004 0.000 1.412 519 I HN 0.792 nan 8.210 nan 0.000 0.513 520 A N 4.961 127.782 122.820 0.002 0.000 2.525 520 A HA 0.958 5.278 4.320 -0.000 0.000 0.291 520 A C -1.447 176.145 177.584 0.014 0.000 1.268 520 A CA -0.594 51.446 52.037 0.004 0.000 0.712 520 A CB 1.446 20.448 19.000 0.004 0.000 1.320 520 A HN 0.411 nan 8.150 nan 0.000 0.456 521 V N 0.498 120.426 119.914 0.024 0.000 2.638 521 V HA 0.631 4.751 4.120 -0.000 0.000 0.306 521 V C -1.274 174.846 176.094 0.043 0.000 1.052 521 V CA -0.989 61.336 62.300 0.041 0.000 0.885 521 V CB 1.735 33.602 31.823 0.073 0.000 0.999 521 V HN 0.709 nan 8.190 nan 0.000 0.424 522 N N 2.541 121.265 118.700 0.040 0.000 2.352 522 N HA 0.355 5.095 4.740 -0.000 0.000 0.291 522 N C -0.704 174.827 175.510 0.035 0.000 1.040 522 N CA -0.487 52.586 53.050 0.037 0.000 0.864 522 N CB 2.085 40.588 38.487 0.026 0.000 1.440 522 N HN 0.784 nan 8.380 nan 0.000 0.483 523 E N 1.205 121.430 120.200 0.042 0.000 2.246 523 E HA -0.237 4.113 4.350 -0.000 0.000 0.173 523 E C -0.615 176.003 176.600 0.030 0.000 1.532 523 E CA 0.295 56.711 56.400 0.026 0.000 0.672 523 E CB -1.282 28.401 29.700 -0.028 0.000 1.078 523 E HN 0.546 nan 8.360 nan 0.000 0.338 524 N N 0.403 119.141 118.700 0.064 0.000 2.722 524 N HA -0.235 4.505 4.740 -0.000 0.000 0.274 524 N C -0.285 175.263 175.510 0.065 0.000 0.987 524 N CA 1.703 54.803 53.050 0.084 0.000 0.817 524 N CB -0.340 38.199 38.487 0.087 0.000 0.921 524 N HN 0.409 nan 8.380 nan 0.000 0.565 525 K N 0.932 121.363 120.400 0.052 0.000 2.581 525 K HA 0.359 4.679 4.320 -0.000 0.000 0.249 525 K C -0.808 175.814 176.600 0.036 0.000 0.966 525 K CA -0.622 55.689 56.287 0.041 0.000 0.811 525 K CB 0.798 33.311 32.500 0.022 0.000 1.223 525 K HN -0.029 nan 8.250 nan 0.000 0.438 526 I N 5.947 126.537 120.570 0.034 0.000 2.505 526 I HA 0.148 4.318 4.170 -0.000 0.000 0.287 526 I C 0.221 176.349 176.117 0.019 0.000 1.104 526 I CA -0.040 61.273 61.300 0.022 0.000 1.387 526 I CB 0.053 38.063 38.000 0.017 0.000 1.404 526 I HN 0.517 nan 8.210 nan 0.000 0.528 527 V N 5.671 125.594 119.914 0.015 0.000 3.160 527 V HA 0.658 4.778 4.120 -0.000 0.000 0.310 527 V C -0.263 175.837 176.094 0.009 0.000 1.181 527 V CA -1.298 61.009 62.300 0.013 0.000 1.047 527 V CB 2.376 34.207 31.823 0.014 0.000 1.068 527 V HN 0.619 nan 8.190 nan 0.000 0.441 528 R N 0.984 121.489 120.500 0.009 0.000 2.428 528 R HA 0.787 5.127 4.340 -0.000 0.000 0.294 528 R C -1.139 175.165 176.300 0.007 0.000 1.000 528 R CA -0.789 55.314 56.100 0.006 0.000 0.960 528 R CB 1.635 31.938 30.300 0.005 0.000 1.076 528 R HN 0.673 nan 8.270 nan 0.000 0.475 529 K N 1.792 122.196 120.400 0.006 0.000 2.469 529 K HA 0.392 4.712 4.320 -0.000 0.000 0.254 529 K C -2.793 173.811 176.600 0.007 0.000 0.939 529 K CA -2.205 54.086 56.287 0.007 0.000 0.812 529 K CB 2.165 34.669 32.500 0.007 0.000 1.301 529 K HN 0.197 nan 8.250 nan 0.000 0.433 530 P HA 0.027 nan 4.420 nan 0.000 0.276 530 P C 0.593 177.899 177.300 0.011 0.000 1.264 530 P CA -0.418 62.687 63.100 0.008 0.000 0.769 530 P CB 0.601 32.306 31.700 0.008 0.000 0.840 531 L N 4.469 125.700 121.223 0.014 0.000 2.011 531 L HA -0.252 4.088 4.340 -0.000 0.000 0.225 531 L C 1.736 178.619 176.870 0.021 0.000 1.084 531 L CA 2.400 57.252 54.840 0.019 0.000 0.791 531 L CB -1.038 41.037 42.059 0.027 0.000 0.898 531 L HN 0.478 nan 8.230 nan 0.000 0.440 532 M N -0.942 118.671 119.600 0.021 0.000 2.084 532 M HA -0.261 4.219 4.480 -0.000 0.000 0.259 532 M C 2.071 178.381 176.300 0.017 0.000 1.072 532 M CA 2.269 57.581 55.300 0.021 0.000 1.107 532 M CB -0.435 32.178 32.600 0.021 0.000 1.299 532 M HN 0.249 nan 8.290 nan 0.000 0.413 533 E N 0.409 120.617 120.200 0.014 0.000 2.086 533 E HA -0.188 4.162 4.350 -0.000 0.000 0.200 533 E C 1.744 178.351 176.600 0.011 0.000 1.012 533 E CA 2.519 58.926 56.400 0.012 0.000 0.812 533 E CB -0.357 29.349 29.700 0.010 0.000 0.743 533 E HN 0.383 nan 8.360 nan 0.000 0.453 534 S N -0.718 114.989 115.700 0.011 0.000 2.359 534 S HA -0.173 4.297 4.470 -0.000 0.000 0.223 534 S C 2.057 176.662 174.600 0.008 0.000 1.039 534 S CA 1.478 59.682 58.200 0.008 0.000 1.042 534 S CB -0.525 62.679 63.200 0.008 0.000 0.915 534 S HN 0.221 nan 8.310 nan 0.000 0.439 535 V N 2.047 121.968 119.914 0.013 0.000 2.427 535 V HA -0.155 3.965 4.120 -0.000 0.000 0.248 535 V C 2.365 178.467 176.094 0.013 0.000 1.051 535 V CA 1.720 64.028 62.300 0.014 0.000 1.048 535 V CB -0.572 31.263 31.823 0.021 0.000 0.666 535 V HN 0.438 nan 8.190 nan 0.000 0.456 536 K N 0.088 120.496 120.400 0.013 0.000 2.026 536 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 536 K C 2.164 178.770 176.600 0.010 0.000 1.048 536 K CA 1.566 57.861 56.287 0.013 0.000 0.929 536 K CB -0.235 32.273 32.500 0.013 0.000 0.713 536 K HN 0.371 nan 8.250 nan 0.000 0.439 537 L N 0.638 121.866 121.223 0.008 0.000 2.191 537 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 537 L C 2.143 179.014 176.870 0.001 0.000 1.103 537 L CA 1.352 56.195 54.840 0.005 0.000 0.769 537 L CB -0.255 41.807 42.059 0.004 0.000 0.908 537 L HN 0.348 nan 8.230 nan 0.000 0.438 538 T N -1.403 113.153 114.554 0.002 0.000 2.851 538 T HA -0.093 4.257 4.350 -0.000 0.000 0.262 538 T C 1.878 176.580 174.700 0.003 0.000 1.043 538 T CA 0.549 62.648 62.100 -0.001 0.000 1.140 538 T CB 0.026 68.893 68.868 -0.001 0.000 0.872 538 T HN 0.106 nan 8.240 nan 0.000 0.446 539 K N 1.818 122.223 120.400 0.008 0.000 2.160 539 K HA 0.032 4.352 4.320 -0.000 0.000 0.206 539 K C 2.504 179.110 176.600 0.011 0.000 1.047 539 K CA 1.150 57.444 56.287 0.011 0.000 0.930 539 K CB -0.822 31.686 32.500 0.014 0.000 0.720 539 K HN 0.376 nan 8.250 nan 0.000 0.450 540 A N 1.337 124.162 122.820 0.009 0.000 1.859 540 A HA -0.198 4.121 4.320 -0.000 0.000 0.217 540 A C 2.502 180.092 177.584 0.011 0.000 1.198 540 A CA 2.289 54.331 52.037 0.009 0.000 0.629 540 A CB -1.002 18.002 19.000 0.006 0.000 0.830 540 A HN 0.052 nan 8.150 nan 0.000 0.446 541 V N -0.015 119.902 119.914 0.005 0.000 2.277 541 V HA -0.385 3.735 4.120 -0.000 0.000 0.253 541 V C 3.046 179.153 176.094 0.022 0.000 1.067 541 V CA 2.514 64.816 62.300 0.004 0.000 1.047 541 V CB -1.547 30.266 31.823 -0.016 0.000 0.649 541 V HN 0.704 nan 8.190 nan 0.000 0.447 542 A N -0.602 122.231 122.820 0.020 0.000 1.873 542 A HA -0.317 4.003 4.320 -0.000 0.000 0.218 542 A C 2.148 179.756 177.584 0.040 0.000 1.193 542 A CA 2.325 54.380 52.037 0.030 0.000 0.629 542 A CB -0.606 18.409 19.000 0.024 0.000 0.826 542 A HN 0.654 nan 8.150 nan 0.000 0.447 543 E N -0.452 119.766 120.200 0.030 0.000 2.023 543 E HA -0.121 4.229 4.350 -0.000 0.000 0.196 543 E C 2.393 179.014 176.600 0.035 0.000 1.003 543 E CA 1.230 57.647 56.400 0.029 0.000 0.809 543 E CB -0.392 29.320 29.700 0.019 0.000 0.755 543 E HN 0.598 nan 8.360 nan 0.000 0.449 544 A N 1.318 124.158 122.820 0.034 0.000 1.903 544 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 544 A C 2.158 179.790 177.584 0.079 0.000 1.191 544 A CA 1.611 53.670 52.037 0.037 0.000 0.638 544 A CB -0.707 18.316 19.000 0.039 0.000 0.823 544 A HN 0.183 nan 8.150 nan 0.000 0.451 545 I N -0.418 120.229 120.570 0.127 0.000 2.252 545 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 545 I C 2.424 178.661 176.117 0.200 0.000 1.102 545 I CA 1.235 62.676 61.300 0.236 0.000 1.385 545 I CB -1.509 36.585 38.000 0.157 0.000 1.064 545 I HN 0.384 nan 8.210 nan 0.000 0.414 546 Q N 0.486 120.351 119.800 0.109 0.000 2.291 546 Q HA -0.018 4.322 4.340 -0.000 0.000 0.206 546 Q C 1.391 177.422 176.000 0.052 0.000 0.976 546 Q CA 1.074 56.925 55.803 0.081 0.000 0.875 546 Q CB -0.165 28.604 28.738 0.053 0.000 0.927 546 Q HN 0.518 nan 8.270 nan 0.000 0.450 547 A N 0.141 122.976 122.820 0.026 0.000 2.827 547 A HA 0.288 4.608 4.320 -0.000 0.000 0.300 547 A C 0.441 177.954 177.584 -0.118 0.000 1.237 547 A CA -0.290 51.730 52.037 -0.028 0.000 0.964 547 A CB 0.117 19.102 19.000 -0.025 0.000 1.143 547 A HN 0.164 nan 8.150 nan 0.000 0.554 548 K N -0.200 120.101 120.400 -0.166 0.000 3.186 548 K HA -0.228 4.092 4.320 -0.000 0.000 0.302 548 K C 0.099 176.119 176.600 -0.966 0.000 1.160 548 K CA 1.496 57.408 56.287 -0.624 0.000 0.911 548 K CB -0.993 31.243 32.500 -0.441 0.000 1.228 548 K HN 0.641 nan 8.250 nan 0.000 0.430 549 D N 0.065 120.213 120.400 -0.420 0.000 2.551 549 D HA 0.088 4.728 4.640 -0.000 0.000 0.223 549 D C 0.635 176.882 176.300 -0.089 0.000 1.144 549 D CA -0.044 53.796 54.000 -0.267 0.000 1.025 549 D CB -0.470 40.264 40.800 -0.109 0.000 1.085 549 D HN 0.218 nan 8.370 nan 0.000 0.506 550 F N 1.732 121.686 119.950 0.007 0.000 2.186 550 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 550 F C 2.603 178.398 175.800 -0.009 0.000 1.090 550 F CA 0.275 58.275 58.000 0.000 0.000 1.307 550 F CB -0.047 38.962 39.000 0.015 0.000 1.019 550 F HN 0.286 nan 8.300 nan 0.000 0.489 551 K N 0.926 121.421 120.400 0.159 0.000 2.152 551 K HA -0.195 4.125 4.320 -0.000 0.000 0.206 551 K C 1.954 178.587 176.600 0.055 0.000 1.048 551 K CA 1.076 57.419 56.287 0.094 0.000 0.933 551 K CB -0.721 31.818 32.500 0.066 0.000 0.721 551 K HN 0.174 nan 8.250 nan 0.000 0.447 552 R N 1.484 122.010 120.500 0.044 0.000 2.062 552 R HA 0.037 4.377 4.340 -0.000 0.000 0.231 552 R C 2.334 178.642 176.300 0.014 0.000 1.136 552 R CA 1.731 57.844 56.100 0.023 0.000 0.948 552 R CB -0.870 29.437 30.300 0.013 0.000 0.845 552 R HN 0.332 nan 8.270 nan 0.000 0.430 553 A N 0.983 123.822 122.820 0.032 0.000 1.883 553 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 553 A C 2.378 179.908 177.584 -0.091 0.000 1.186 553 A CA 1.857 53.890 52.037 -0.007 0.000 0.624 553 A CB -0.602 18.421 19.000 0.037 0.000 0.822 553 A HN 0.460 nan 8.150 nan 0.000 0.444 554 M N 0.649 120.197 119.600 -0.087 0.000 2.267 554 M HA -0.178 4.302 4.480 -0.000 0.000 0.263 554 M C 2.217 178.442 176.300 -0.124 0.000 1.063 554 M CA 2.018 57.206 55.300 -0.188 0.000 1.090 554 M CB -0.181 32.387 32.600 -0.053 0.000 1.392 554 M HN 0.630 nan 8.290 nan 0.000 0.422 555 S N -0.193 115.482 115.700 -0.041 0.000 2.414 555 S HA -0.055 4.415 4.470 -0.000 0.000 0.227 555 S C 1.664 176.254 174.600 -0.016 0.000 1.022 555 S CA 0.657 58.854 58.200 -0.005 0.000 0.958 555 S CB -0.783 62.425 63.200 0.013 0.000 0.797 555 S HN 0.610 nan 8.310 nan 0.000 0.493 556 L N 0.859 122.057 121.223 -0.041 0.000 2.465 556 L HA 0.060 4.400 4.340 -0.000 0.000 0.224 556 L C 2.033 178.874 176.870 -0.047 0.000 1.145 556 L CA 0.297 55.116 54.840 -0.035 0.000 0.834 556 L CB -0.335 41.703 42.059 -0.034 0.000 0.944 556 L HN 0.232 nan 8.230 nan 0.000 0.451 557 R N 1.020 121.463 120.500 -0.093 0.000 3.228 557 R HA 0.048 4.388 4.340 -0.000 0.000 0.219 557 R C 0.024 176.353 176.300 0.047 0.000 1.071 557 R CA -0.172 55.888 56.100 -0.066 0.000 1.103 557 R CB -0.264 29.889 30.300 -0.244 0.000 0.854 557 R HN 0.133 nan 8.270 nan 0.000 0.479 558 D N -0.596 119.893 120.400 0.148 0.000 2.339 558 D HA -0.058 4.582 4.640 -0.000 0.000 0.245 558 D C 0.747 177.146 176.300 0.166 0.000 1.115 558 D CA -0.115 53.963 54.000 0.130 0.000 0.917 558 D CB 0.816 41.678 40.800 0.103 0.000 1.192 558 D HN 0.401 nan 8.370 nan 0.000 0.428 559 T N 0.054 114.676 114.554 0.114 0.000 2.837 559 T HA -0.263 4.087 4.350 -0.000 0.000 0.266 559 T C 1.016 175.778 174.700 0.104 0.000 1.077 559 T CA 2.187 64.348 62.100 0.102 0.000 1.133 559 T CB -0.293 68.628 68.868 0.089 0.000 0.830 559 T HN 0.710 nan 8.240 nan 0.000 0.512 560 E N -1.269 119.007 120.200 0.127 0.000 2.876 560 E HA 0.214 4.564 4.350 -0.000 0.000 0.208 560 E C 1.210 177.851 176.600 0.067 0.000 0.981 560 E CA -0.461 55.959 56.400 0.034 0.000 1.174 560 E CB -0.629 29.017 29.700 -0.092 0.000 1.047 560 E HN 0.503 nan 8.360 nan 0.000 0.477 561 F N 1.797 121.814 119.950 0.112 0.000 2.069 561 F HA -0.124 4.403 4.527 -0.000 0.000 0.298 561 F C 1.833 177.702 175.800 0.115 0.000 1.113 561 F CA 1.858 59.970 58.000 0.186 0.000 1.214 561 F CB 0.094 39.200 39.000 0.178 0.000 0.978 561 F HN -0.016 nan 8.300 nan 0.000 0.474 562 I N 0.178 121.014 120.570 0.443 0.000 2.226 562 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 562 I C 2.408 178.601 176.117 0.126 0.000 1.100 562 I CA 1.770 63.250 61.300 0.300 0.000 1.374 562 I CB -0.730 37.397 38.000 0.210 0.000 1.057 562 I HN 0.276 nan 8.210 nan 0.000 0.413 563 E N 0.500 120.720 120.200 0.034 0.000 2.070 563 E HA -0.284 4.066 4.350 -0.000 0.000 0.197 563 E C 2.274 178.843 176.600 -0.052 0.000 1.004 563 E CA 1.505 57.877 56.400 -0.047 0.000 0.805 563 E CB 0.015 29.633 29.700 -0.137 0.000 0.744 563 E HN 0.496 nan 8.360 nan 0.000 0.451 564 H N 0.434 119.487 119.070 -0.027 0.000 2.319 564 H HA -0.153 4.403 4.556 -0.000 0.000 0.299 564 H C 2.351 177.651 175.328 -0.047 0.000 1.092 564 H CA 1.377 57.374 56.048 -0.086 0.000 1.302 564 H CB -0.570 29.055 29.762 -0.227 0.000 1.373 564 H HN 0.256 nan 8.280 nan 0.000 0.497 565 L N 0.689 121.951 121.223 0.065 0.000 2.013 565 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 565 L C 2.110 179.069 176.870 0.148 0.000 1.073 565 L CA 1.376 56.275 54.840 0.098 0.000 0.753 565 L CB -0.182 41.952 42.059 0.126 0.000 0.890 565 L HN 0.266 nan 8.230 nan 0.000 0.432 566 N N 0.284 119.054 118.700 0.116 0.000 2.043 566 N HA -0.200 4.540 4.740 -0.000 0.000 0.193 566 N C 1.518 177.093 175.510 0.108 0.000 1.037 566 N CA 1.492 54.604 53.050 0.103 0.000 0.851 566 N CB -0.781 37.758 38.487 0.086 0.000 1.027 566 N HN 0.397 nan 8.380 nan 0.000 0.422 567 N N 0.956 119.713 118.700 0.095 0.000 2.061 567 N HA -0.173 4.567 4.740 -0.000 0.000 0.193 567 N C 1.696 177.300 175.510 0.156 0.000 1.030 567 N CA 0.682 53.785 53.050 0.087 0.000 0.856 567 N CB -0.741 37.789 38.487 0.071 0.000 1.023 567 N HN 0.187 nan 8.380 nan 0.000 0.424 568 F N 2.536 122.506 119.950 0.033 0.000 2.025 568 F HA -0.202 4.325 4.527 -0.000 0.000 0.297 568 F C 2.375 178.209 175.800 0.057 0.000 1.132 568 F CA 1.435 59.450 58.000 0.025 0.000 1.191 568 F CB -0.589 38.387 39.000 -0.039 0.000 0.963 568 F HN -0.100 nan 8.300 nan 0.000 0.481 569 M N 0.643 120.165 119.600 -0.131 0.000 2.147 569 M HA -0.326 4.154 4.480 -0.000 0.000 0.253 569 M C 2.422 178.642 176.300 -0.133 0.000 1.075 569 M CA 2.151 57.328 55.300 -0.205 0.000 1.085 569 M CB -2.179 30.406 32.600 -0.025 0.000 1.305 569 M HN 0.387 nan 8.290 nan 0.000 0.409 570 A N 1.381 124.210 122.820 0.015 0.000 1.834 570 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 570 A C 2.124 179.750 177.584 0.070 0.000 1.203 570 A CA 2.111 54.211 52.037 0.105 0.000 0.621 570 A CB -1.198 18.017 19.000 0.358 0.000 0.841 570 A HN 0.671 nan 8.150 nan 0.000 0.446 571 I N -1.820 118.810 120.570 0.100 0.000 2.423 571 I HA -0.265 3.905 4.170 -0.000 0.000 0.254 571 I C 2.034 178.197 176.117 0.078 0.000 1.151 571 I CA 2.319 63.671 61.300 0.087 0.000 1.421 571 I CB -0.678 37.394 38.000 0.119 0.000 1.079 571 I HN 0.544 nan 8.210 nan 0.000 0.431 572 N N 1.450 120.091 118.700 -0.098 0.000 2.171 572 N HA -0.185 4.555 4.740 -0.000 0.000 0.184 572 N C 2.065 177.632 175.510 0.095 0.000 1.021 572 N CA 1.641 54.631 53.050 -0.100 0.000 0.854 572 N CB 0.078 38.174 38.487 -0.652 0.000 0.994 572 N HN 0.630 nan 8.380 nan 0.000 0.426 573 S N 0.885 116.577 115.700 -0.013 0.000 2.329 573 S HA 0.112 4.582 4.470 -0.000 0.000 0.215 573 S C 1.018 175.657 174.600 0.065 0.000 1.031 573 S CA 0.454 58.651 58.200 -0.006 0.000 0.985 573 S CB -0.892 62.281 63.200 -0.045 0.000 0.917 573 S HN 0.493 nan 8.310 nan 0.000 0.441 574 A N 3.044 125.879 122.820 0.025 0.000 1.507 574 A HA -0.062 4.258 4.320 -0.000 0.000 0.289 574 A C 1.021 178.530 177.584 -0.124 0.000 1.113 574 A CA 1.262 53.292 52.037 -0.011 0.000 1.249 574 A CB -1.646 17.396 19.000 0.071 0.000 0.887 574 A HN 1.373 nan 8.150 nan 0.000 0.186 575 D N 0.782 121.069 120.400 -0.189 0.000 2.921 575 D HA -0.303 4.337 4.640 -0.000 0.000 0.202 575 D C 0.542 176.572 176.300 -0.449 0.000 1.082 575 D CA 2.377 56.197 54.000 -0.300 0.000 1.014 575 D CB -1.634 38.980 40.800 -0.309 0.000 1.120 575 D HN 0.948 nan 8.370 nan 0.000 0.416 576 H N 0.223 119.103 119.070 -0.317 0.000 2.535 576 H HA 0.228 4.784 4.556 -0.000 0.000 0.273 576 H C 0.315 175.499 175.328 -0.240 0.000 0.983 576 H CA 0.837 56.674 56.048 -0.352 0.000 1.238 576 H CB 0.121 29.596 29.762 -0.478 0.000 1.412 576 H HN 0.413 nan 8.280 nan 0.000 0.562 577 N N 1.089 119.722 118.700 -0.111 0.000 2.491 577 N HA 0.009 4.749 4.740 -0.000 0.000 0.274 577 N C 0.749 176.195 175.510 -0.107 0.000 1.023 577 N CA -0.181 52.813 53.050 -0.094 0.000 0.902 577 N CB 2.200 40.644 38.487 -0.073 0.000 1.267 577 N HN 0.176 nan 8.380 nan 0.000 0.503 578 E N 3.504 123.643 120.200 -0.103 0.000 2.208 578 E HA -0.188 4.162 4.350 -0.000 0.000 0.202 578 E C -0.949 175.594 176.600 -0.094 0.000 1.014 578 E CA 1.277 57.618 56.400 -0.099 0.000 0.819 578 E CB -0.387 29.265 29.700 -0.081 0.000 0.735 578 E HN 0.426 nan 8.360 nan 0.000 0.469 579 P HA -0.250 nan 4.420 nan 0.000 0.223 579 P C -0.642 176.604 177.300 -0.090 0.000 1.156 579 P CA 1.569 64.624 63.100 -0.075 0.000 0.830 579 P CB -0.412 31.248 31.700 -0.066 0.000 0.745 580 K N -0.635 119.697 120.400 -0.114 0.000 4.581 580 K HA -0.219 4.101 4.320 -0.000 0.000 0.265 580 K C 1.357 177.874 176.600 -0.140 0.000 0.691 580 K CA -0.145 56.055 56.287 -0.145 0.000 0.578 580 K CB -1.197 31.222 32.500 -0.134 0.000 2.166 580 K HN 0.270 nan 8.250 nan 0.000 0.385 581 L N -1.079 120.065 121.223 -0.131 0.000 2.223 581 L HA -0.265 4.075 4.340 -0.000 0.000 0.230 581 L C -1.047 175.766 176.870 -0.095 0.000 1.110 581 L CA 1.770 56.551 54.840 -0.099 0.000 0.834 581 L CB -1.567 40.437 42.059 -0.092 0.000 0.915 581 L HN 0.422 nan 8.230 nan 0.000 0.450 582 P HA 0.184 nan 4.420 nan 0.000 0.286 582 P C -0.542 176.701 177.300 -0.094 0.000 1.261 582 P CA -0.363 62.673 63.100 -0.107 0.000 0.821 582 P CB 0.995 32.608 31.700 -0.144 0.000 1.013 583 K N 1.466 121.830 120.400 -0.059 0.000 2.168 583 K HA 0.071 4.391 4.320 -0.000 0.000 0.258 583 K C -0.429 176.143 176.600 -0.047 0.000 1.010 583 K CA -0.324 55.934 56.287 -0.048 0.000 0.929 583 K CB 0.071 32.553 32.500 -0.031 0.000 0.998 583 K HN 0.407 nan 8.250 nan 0.000 0.479 584 D N 2.974 123.351 120.400 -0.039 0.000 3.402 584 D HA -0.123 4.517 4.640 -0.000 0.000 0.241 584 D C -0.089 176.206 176.300 -0.010 0.000 1.185 584 D CA 1.108 55.092 54.000 -0.027 0.000 1.661 584 D CB -0.110 40.680 40.800 -0.018 0.000 1.198 584 D HN 0.321 nan 8.370 nan 0.000 0.553 585 K N 0.758 121.151 120.400 -0.012 0.000 2.564 585 K HA 0.061 4.381 4.320 -0.000 0.000 0.201 585 K C -0.164 176.470 176.600 0.057 0.000 1.086 585 K CA -0.443 55.857 56.287 0.021 0.000 1.062 585 K CB 0.679 33.187 32.500 0.015 0.000 0.849 585 K HN 0.195 nan 8.250 nan 0.000 0.529 586 R N 1.517 122.026 120.500 0.015 0.000 2.267 586 R HA 0.241 4.581 4.340 -0.000 0.000 0.319 586 R C -0.437 175.999 176.300 0.226 0.000 1.067 586 R CA -0.390 55.743 56.100 0.055 0.000 0.936 586 R CB 0.154 30.395 30.300 -0.098 0.000 1.006 586 R HN -0.179 nan 8.270 nan 0.000 0.452 587 L N 1.740 123.233 121.223 0.450 0.000 2.376 587 L HA 0.476 4.816 4.340 -0.000 0.000 0.267 587 L C 0.395 177.399 176.870 0.222 0.000 1.035 587 L CA -0.837 54.136 54.840 0.222 0.000 0.800 587 L CB 0.328 42.448 42.059 0.102 0.000 1.290 587 L HN 0.445 nan 8.230 nan 0.000 0.462 588 K N 1.531 122.048 120.400 0.195 0.000 2.334 588 K HA 0.598 4.918 4.320 -0.000 0.000 0.265 588 K C -1.167 175.592 176.600 0.266 0.000 1.039 588 K CA -0.054 56.412 56.287 0.299 0.000 0.920 588 K CB 0.712 33.397 32.500 0.307 0.000 1.160 588 K HN 0.410 nan 8.250 nan 0.000 0.451 589 I N 1.951 122.640 120.570 0.198 0.000 2.412 589 I HA 0.476 4.646 4.170 -0.000 0.000 0.296 589 I C -0.036 176.064 176.117 -0.030 0.000 0.987 589 I CA -1.028 60.301 61.300 0.050 0.000 1.180 589 I CB 1.882 39.864 38.000 -0.030 0.000 1.340 589 I HN 0.496 nan 8.210 nan 0.000 0.455 590 A N 6.730 129.362 122.820 -0.313 0.000 2.340 590 A HA 0.797 5.117 4.320 -0.000 0.000 0.331 590 A C -0.850 176.588 177.584 -0.242 0.000 1.140 590 A CA -0.510 51.228 52.037 -0.499 0.000 0.801 590 A CB 1.556 19.694 19.000 -1.436 0.000 1.234 590 A HN 0.590 nan 8.150 nan 0.000 0.469 591 I N 1.758 122.232 120.570 -0.160 0.000 2.646 591 I HA 0.752 4.922 4.170 -0.000 0.000 0.299 591 I C -1.096 174.946 176.117 -0.125 0.000 1.036 591 I CA -0.697 60.547 61.300 -0.093 0.000 1.074 591 I CB 1.789 39.764 38.000 -0.042 0.000 1.258 591 I HN 0.552 nan 8.210 nan 0.000 0.430 592 V N 6.864 126.692 119.914 -0.142 0.000 3.120 592 V HA 0.549 4.669 4.120 -0.000 0.000 0.303 592 V C -1.488 174.461 176.094 -0.241 0.000 1.238 592 V CA -0.707 61.450 62.300 -0.239 0.000 1.008 592 V CB 2.706 34.294 31.823 -0.391 0.000 1.064 592 V HN 0.821 nan 8.190 nan 0.000 0.434 593 N N 2.548 121.082 118.700 -0.276 0.000 2.372 593 N HA 0.766 5.506 4.740 -0.000 0.000 0.291 593 N C -1.262 174.091 175.510 -0.263 0.000 1.024 593 N CA -0.247 52.669 53.050 -0.223 0.000 0.873 593 N CB 2.036 40.410 38.487 -0.189 0.000 1.206 593 N HN 0.474 nan 8.380 nan 0.000 0.486 594 V N 0.487 120.285 119.914 -0.193 0.000 2.668 594 V HA 0.886 5.006 4.120 -0.000 0.000 0.304 594 V C 0.520 176.575 176.094 -0.064 0.000 1.071 594 V CA -0.332 61.868 62.300 -0.167 0.000 0.894 594 V CB 1.130 32.846 31.823 -0.178 0.000 1.008 594 V HN 0.963 nan 8.190 nan 0.000 0.425 595 G N 3.569 112.347 108.800 -0.038 0.000 2.384 595 G HA2 0.414 4.374 3.960 -0.000 0.000 0.204 595 G HA3 0.414 4.374 3.960 -0.000 0.000 0.204 595 G C -0.157 174.738 174.900 -0.010 0.000 1.237 595 G CA 0.067 45.169 45.100 0.003 0.000 1.060 595 G HN 1.659 nan 8.290 nan 0.000 0.514 596 A N 1.416 124.237 122.820 0.001 0.000 2.351 596 A HA 0.786 5.106 4.320 -0.000 0.000 0.257 596 A C -1.110 176.460 177.584 -0.023 0.000 1.087 596 A CA -0.168 51.868 52.037 -0.001 0.000 0.798 596 A CB -0.053 18.955 19.000 0.012 0.000 1.033 596 A HN 0.839 nan 8.150 nan 0.000 0.488 597 P HA 0.455 nan 4.420 nan 0.000 0.272 597 P C -0.575 176.701 177.300 -0.040 0.000 1.240 597 P CA 0.149 63.222 63.100 -0.045 0.000 0.791 597 P CB 1.023 32.695 31.700 -0.047 0.000 0.978 598 A N 0.221 123.010 122.820 -0.051 0.000 2.594 598 A HA 0.596 4.916 4.320 -0.000 0.000 0.296 598 A C -0.097 177.459 177.584 -0.048 0.000 1.061 598 A CA -0.358 51.649 52.037 -0.050 0.000 0.689 598 A CB 0.805 19.769 19.000 -0.059 0.000 1.280 598 A HN 0.578 nan 8.150 nan 0.000 0.406 599 G N -0.173 108.604 108.800 -0.039 0.000 2.272 599 G HA2 0.518 4.478 3.960 -0.000 0.000 0.247 599 G HA3 0.518 4.478 3.960 -0.000 0.000 0.247 599 G C 1.236 176.125 174.900 -0.018 0.000 1.272 599 G CA 0.954 46.036 45.100 -0.031 0.000 0.921 599 G HN 2.509 nan 8.290 nan 0.000 0.495 600 G N 1.862 110.651 108.800 -0.020 0.000 2.213 600 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.226 600 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.226 600 G C 1.371 176.272 174.900 0.002 0.000 0.992 600 G CA 0.337 45.438 45.100 0.002 0.000 0.632 600 G HN 0.627 nan 8.290 nan 0.000 0.511 601 I N 1.049 121.605 120.570 -0.024 0.000 2.226 601 I HA -0.157 4.013 4.170 -0.000 0.000 0.245 601 I C 2.555 178.664 176.117 -0.014 0.000 1.100 601 I CA 1.590 62.872 61.300 -0.030 0.000 1.374 601 I CB -0.314 37.648 38.000 -0.063 0.000 1.057 601 I HN 0.171 nan 8.210 nan 0.000 0.413 602 N N 0.604 119.283 118.700 -0.036 0.000 2.223 602 N HA -0.120 4.620 4.740 -0.000 0.000 0.185 602 N C 1.976 177.567 175.510 0.135 0.000 1.016 602 N CA 1.366 54.414 53.050 -0.002 0.000 0.863 602 N CB -0.263 38.158 38.487 -0.109 0.000 0.983 602 N HN 0.259 nan 8.380 nan 0.000 0.429 603 S N 0.965 116.720 115.700 0.092 0.000 2.368 603 S HA -0.041 4.428 4.470 -0.000 0.000 0.224 603 S C 2.158 176.866 174.600 0.181 0.000 1.029 603 S CA 1.010 59.295 58.200 0.142 0.000 0.988 603 S CB -0.347 62.898 63.200 0.075 0.000 0.838 603 S HN 0.481 nan 8.310 nan 0.000 0.462 604 A N 1.677 124.564 122.820 0.111 0.000 1.851 604 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 604 A C 2.387 180.042 177.584 0.119 0.000 1.195 604 A CA 1.829 53.922 52.037 0.093 0.000 0.622 604 A CB -1.223 17.805 19.000 0.047 0.000 0.831 604 A HN 0.312 nan 8.150 nan 0.000 0.444 605 V N -1.276 118.718 119.914 0.133 0.000 2.219 605 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 605 V C 2.349 178.572 176.094 0.214 0.000 1.053 605 V CA 2.469 64.868 62.300 0.165 0.000 1.009 605 V CB -1.104 30.845 31.823 0.211 0.000 0.636 605 V HN 0.720 nan 8.190 nan 0.000 0.445 606 Y N 1.249 121.662 120.300 0.188 0.000 2.069 606 Y HA -0.332 4.218 4.550 -0.000 0.000 0.278 606 Y C 2.754 178.705 175.900 0.085 0.000 1.175 606 Y CA 2.276 60.443 58.100 0.111 0.000 1.134 606 Y CB -0.529 38.008 38.460 0.129 0.000 0.965 606 Y HN 0.234 nan 8.280 nan 0.000 0.498 607 S N 0.500 116.302 115.700 0.171 0.000 2.368 607 S HA -0.235 4.235 4.470 -0.000 0.000 0.225 607 S C 2.073 176.702 174.600 0.048 0.000 1.030 607 S CA 1.451 59.695 58.200 0.074 0.000 0.999 607 S CB -0.522 62.768 63.200 0.149 0.000 0.844 607 S HN 0.609 nan 8.310 nan 0.000 0.459 608 M N 2.104 121.748 119.600 0.073 0.000 2.117 608 M HA -0.076 4.404 4.480 -0.000 0.000 0.262 608 M C 2.081 178.429 176.300 0.081 0.000 1.065 608 M CA 1.923 57.283 55.300 0.101 0.000 1.114 608 M CB -1.205 31.442 32.600 0.077 0.000 1.361 608 M HN 0.286 nan 8.290 nan 0.000 0.408 609 A N 0.612 123.433 122.820 0.001 0.000 1.835 609 A HA -0.182 4.138 4.320 -0.000 0.000 0.215 609 A C 2.209 179.755 177.584 -0.064 0.000 1.199 609 A CA 3.202 55.211 52.037 -0.046 0.000 0.615 609 A CB -1.647 17.292 19.000 -0.102 0.000 0.838 609 A HN 0.696 nan 8.150 nan 0.000 0.444 610 T N -3.534 110.916 114.554 -0.173 0.000 2.803 610 T HA -0.257 4.093 4.350 -0.000 0.000 0.269 610 T C 1.796 176.505 174.700 0.014 0.000 1.052 610 T CA 1.808 63.842 62.100 -0.111 0.000 1.136 610 T CB -0.547 68.162 68.868 -0.264 0.000 0.864 610 T HN 0.447 nan 8.240 nan 0.000 0.467 611 Y N 1.172 121.440 120.300 -0.054 0.000 2.163 611 Y HA -0.014 4.536 4.550 -0.000 0.000 0.288 611 Y C 2.732 178.660 175.900 0.046 0.000 1.136 611 Y CA 0.184 58.288 58.100 0.007 0.000 1.147 611 Y CB -0.977 37.504 38.460 0.034 0.000 0.987 611 Y HN 0.328 nan 8.280 nan 0.000 0.509 612 C N 0.637 119.948 119.300 0.019 0.000 2.391 612 C HA -0.296 4.164 4.460 -0.000 0.000 0.276 612 C C 2.805 177.743 174.990 -0.087 0.000 1.217 612 C CA 1.785 60.821 59.018 0.030 0.000 1.766 612 C CB -1.378 26.418 27.740 0.094 0.000 2.046 612 C HN 0.616 nan 8.230 nan 0.000 0.475 613 M N 1.326 120.872 119.600 -0.090 0.000 2.279 613 M HA -0.118 4.362 4.480 -0.000 0.000 0.264 613 M C 2.225 178.426 176.300 -0.165 0.000 1.062 613 M CA 1.975 57.204 55.300 -0.118 0.000 1.099 613 M CB -0.530 32.012 32.600 -0.096 0.000 1.394 613 M HN 0.628 nan 8.290 nan 0.000 0.426 614 S N -0.734 114.846 115.700 -0.199 0.000 2.496 614 S HA -0.012 4.458 4.470 -0.000 0.000 0.224 614 S C 1.790 176.224 174.600 -0.276 0.000 0.996 614 S CA 0.324 58.402 58.200 -0.204 0.000 0.927 614 S CB -0.085 63.021 63.200 -0.157 0.000 0.774 614 S HN 0.431 nan 8.310 nan 0.000 0.524 615 Q N 0.709 120.277 119.800 -0.386 0.000 2.297 615 Q HA 0.270 4.610 4.340 -0.000 0.000 0.203 615 Q C 1.721 177.454 176.000 -0.445 0.000 0.931 615 Q CA 1.121 56.646 55.803 -0.464 0.000 0.885 615 Q CB -0.007 28.333 28.738 -0.664 0.000 0.991 615 Q HN 0.766 nan 8.270 nan 0.000 0.498 616 G N 0.273 108.865 108.800 -0.347 0.000 2.229 616 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.189 616 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.189 616 G C 0.085 174.885 174.900 -0.167 0.000 1.000 616 G CA -0.316 44.640 45.100 -0.240 0.000 0.663 616 G HN 0.303 nan 8.290 nan 0.000 0.493 617 H N 0.907 119.936 119.070 -0.069 0.000 2.852 617 H HA 0.336 4.892 4.556 -0.000 0.000 0.362 617 H C 0.755 176.074 175.328 -0.016 0.000 1.122 617 H CA 0.297 56.333 56.048 -0.020 0.000 1.419 617 H CB 0.439 30.193 29.762 -0.014 0.000 1.401 617 H HN 0.289 nan 8.280 nan 0.000 0.609 618 R N 3.342 123.947 120.500 0.175 0.000 2.215 618 R HA 0.228 4.568 4.340 -0.000 0.000 0.337 618 R C -2.434 173.896 176.300 0.051 0.000 1.010 618 R CA -1.752 54.394 56.100 0.075 0.000 0.871 618 R CB 1.081 31.486 30.300 0.176 0.000 1.134 618 R HN 0.440 nan 8.270 nan 0.000 0.477 619 P HA 0.118 nan 4.420 nan 0.000 0.286 619 P C -1.349 175.808 177.300 -0.238 0.000 1.269 619 P CA -0.255 62.806 63.100 -0.066 0.000 0.787 619 P CB 0.759 32.428 31.700 -0.052 0.000 0.920 620 Y N 1.339 121.658 120.300 0.031 0.000 2.376 620 Y HA 0.544 5.094 4.550 -0.000 0.000 0.340 620 Y C 0.473 176.349 175.900 -0.041 0.000 0.965 620 Y CA -0.829 57.303 58.100 0.052 0.000 1.078 620 Y CB 2.125 40.695 38.460 0.182 0.000 1.193 620 Y HN 0.424 nan 8.280 nan 0.000 0.452 621 A N 4.460 127.376 122.820 0.160 0.000 2.292 621 A HA 0.696 5.016 4.320 -0.000 0.000 0.319 621 A C -0.689 176.972 177.584 0.128 0.000 1.206 621 A CA -0.661 51.427 52.037 0.084 0.000 0.835 621 A CB 0.198 19.253 19.000 0.092 0.000 1.164 621 A HN 0.791 nan 8.150 nan 0.000 0.505 622 I N 3.410 123.984 120.570 0.007 0.000 2.287 622 I HA 0.148 4.317 4.170 -0.000 0.000 0.290 622 I C -0.818 175.316 176.117 0.029 0.000 1.069 622 I CA -0.305 61.025 61.300 0.050 0.000 1.237 622 I CB 0.048 38.050 38.000 0.003 0.000 1.418 622 I HN 0.576 nan 8.210 nan 0.000 0.481 623 Y N 5.663 125.953 120.300 -0.017 0.000 2.497 623 Y HA 0.012 4.562 4.550 -0.000 0.000 0.334 623 Y C 1.262 177.140 175.900 -0.036 0.000 1.199 623 Y CA 0.120 58.208 58.100 -0.021 0.000 1.425 623 Y CB 0.244 38.711 38.460 0.011 0.000 1.291 623 Y HN 0.561 nan 8.280 nan 0.000 0.562 624 N N 1.442 120.167 118.700 0.042 0.000 2.725 624 N HA -0.190 4.550 4.740 -0.000 0.000 0.251 624 N C 0.568 176.039 175.510 -0.066 0.000 1.031 624 N CA 1.034 54.084 53.050 0.001 0.000 0.720 624 N CB -1.189 37.348 38.487 0.084 0.000 0.930 624 N HN 1.136 nan 8.380 nan 0.000 0.543 625 G N -0.285 108.394 108.800 -0.202 0.000 2.586 625 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.308 625 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.308 625 G C 1.149 175.926 174.900 -0.204 0.000 1.317 625 G CA 0.599 45.449 45.100 -0.417 0.000 0.922 625 G HN 0.434 nan 8.290 nan 0.000 0.551 626 W N 0.306 121.617 121.300 0.018 0.000 2.325 626 W HA -0.076 4.584 4.660 -0.000 0.000 0.299 626 W C 3.160 179.691 176.519 0.020 0.000 1.215 626 W CA 1.825 59.180 57.345 0.016 0.000 1.244 626 W CB -0.585 28.864 29.460 -0.018 0.000 1.140 626 W HN 0.777 nan 8.180 nan 0.000 0.523 627 S N 0.211 116.033 115.700 0.203 0.000 2.402 627 S HA -0.035 4.435 4.470 -0.000 0.000 0.229 627 S C 1.960 176.589 174.600 0.050 0.000 1.021 627 S CA 1.214 59.477 58.200 0.105 0.000 0.974 627 S CB -1.036 62.203 63.200 0.064 0.000 0.800 627 S HN 0.256 nan 8.310 nan 0.000 0.484 628 G N 0.944 109.787 108.800 0.071 0.000 2.511 628 G HA2 0.094 4.054 3.960 -0.000 0.000 0.217 628 G HA3 0.094 4.054 3.960 -0.000 0.000 0.217 628 G C 1.281 176.243 174.900 0.102 0.000 1.133 628 G CA 0.710 45.864 45.100 0.090 0.000 0.792 628 G HN 0.458 nan 8.290 nan 0.000 0.539 629 L N 1.092 122.397 121.223 0.137 0.000 2.062 629 L HA 0.398 4.738 4.340 -0.000 0.000 0.202 629 L C 3.030 179.991 176.870 0.152 0.000 1.079 629 L CA 2.034 56.959 54.840 0.142 0.000 0.755 629 L CB -0.844 41.404 42.059 0.315 0.000 0.913 629 L HN 0.152 nan 8.230 nan 0.000 0.445 630 A N -0.261 122.705 122.820 0.243 0.000 1.883 630 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 630 A C 2.397 180.099 177.584 0.197 0.000 1.186 630 A CA 1.933 54.142 52.037 0.287 0.000 0.624 630 A CB -0.598 18.521 19.000 0.199 0.000 0.822 630 A HN 0.516 nan 8.150 nan 0.000 0.444 631 R N -1.975 118.534 120.500 0.015 0.000 2.240 631 R HA 0.026 4.366 4.340 -0.000 0.000 0.203 631 R C 0.208 176.363 176.300 -0.241 0.000 1.011 631 R CA 0.939 56.932 56.100 -0.177 0.000 1.007 631 R CB 0.066 30.125 30.300 -0.402 0.000 0.911 631 R HN 0.628 nan 8.270 nan 0.000 0.468 632 H N -0.725 118.404 119.070 0.100 0.000 3.124 632 H HA 0.068 4.624 4.556 -0.000 0.000 0.250 632 H C -0.640 174.680 175.328 -0.013 0.000 1.184 632 H CA -0.459 55.625 56.048 0.060 0.000 1.013 632 H CB 0.032 29.820 29.762 0.042 0.000 1.891 632 H HN 0.189 nan 8.280 nan 0.000 0.687 633 E N 2.309 122.477 120.200 -0.052 0.000 2.272 633 E HA -0.201 4.149 4.350 -0.000 0.000 0.160 633 E C -0.209 176.289 176.600 -0.171 0.000 1.627 633 E CA 0.608 56.724 56.400 -0.473 0.000 0.641 633 E CB -0.595 28.893 29.700 -0.353 0.000 1.060 633 E HN 0.432 nan 8.360 nan 0.000 0.324 634 S N 0.688 116.339 115.700 -0.082 0.000 2.677 634 S HA 0.229 4.699 4.470 -0.000 0.000 0.246 634 S C 0.484 175.106 174.600 0.036 0.000 1.005 634 S CA -0.361 57.851 58.200 0.019 0.000 1.062 634 S CB 0.579 63.854 63.200 0.125 0.000 0.778 634 S HN 0.228 nan 8.310 nan 0.000 0.461 635 V N 1.929 121.790 119.914 -0.089 0.000 2.686 635 V HA 0.539 4.659 4.120 -0.000 0.000 0.295 635 V C 0.356 176.507 176.094 0.095 0.000 1.055 635 V CA -0.210 62.056 62.300 -0.056 0.000 1.050 635 V CB 0.803 32.314 31.823 -0.520 0.000 0.984 635 V HN 0.431 nan 8.190 nan 0.000 0.482 636 R N 1.817 122.461 120.500 0.241 0.000 2.774 636 R HA 0.566 4.906 4.340 -0.000 0.000 0.272 636 R C -0.931 175.521 176.300 0.253 0.000 1.000 636 R CA -0.488 55.752 56.100 0.234 0.000 0.906 636 R CB 2.176 32.583 30.300 0.178 0.000 1.227 636 R HN 0.689 nan 8.270 nan 0.000 0.468 637 S N 1.944 117.727 115.700 0.139 0.000 2.438 637 S HA 0.396 4.866 4.470 -0.000 0.000 0.293 637 S C -0.195 174.384 174.600 -0.035 0.000 1.141 637 S CA -0.693 57.464 58.200 -0.071 0.000 1.080 637 S CB 0.362 63.513 63.200 -0.082 0.000 0.978 637 S HN 0.324 nan 8.310 nan 0.000 0.479 638 L N 4.546 125.720 121.223 -0.081 0.000 2.515 638 L HA 0.169 4.509 4.340 -0.000 0.000 0.281 638 L C 0.224 177.040 176.870 -0.090 0.000 1.131 638 L CA -0.306 54.498 54.840 -0.060 0.000 0.905 638 L CB -0.273 41.746 42.059 -0.067 0.000 1.246 638 L HN 0.523 nan 8.230 nan 0.000 0.463 639 N N 2.301 120.961 118.700 -0.065 0.000 2.472 639 N HA -0.030 4.710 4.740 -0.000 0.000 0.277 639 N C 0.589 176.099 175.510 -0.001 0.000 1.081 639 N CA -0.417 52.621 53.050 -0.018 0.000 0.973 639 N CB 1.407 39.902 38.487 0.012 0.000 1.105 639 N HN 0.615 nan 8.380 nan 0.000 0.470 640 W N 4.263 125.476 121.300 -0.146 0.000 2.290 640 W HA -0.284 4.376 4.660 -0.000 0.000 0.323 640 W C 2.175 178.645 176.519 -0.082 0.000 1.260 640 W CA 1.824 59.100 57.345 -0.115 0.000 1.266 640 W CB 0.098 29.519 29.460 -0.065 0.000 1.149 640 W HN 0.610 nan 8.180 nan 0.000 0.482 641 K N -0.066 120.486 120.400 0.253 0.000 2.063 641 K HA -0.238 4.082 4.320 -0.000 0.000 0.208 641 K C 1.531 178.045 176.600 -0.144 0.000 1.048 641 K CA 2.081 58.393 56.287 0.043 0.000 0.928 641 K CB -0.553 32.057 32.500 0.184 0.000 0.713 641 K HN 0.057 nan 8.250 nan 0.000 0.442 642 D N 0.250 120.574 120.400 -0.127 0.000 2.309 642 D HA -0.121 4.519 4.640 -0.000 0.000 0.212 642 D C 1.219 177.270 176.300 -0.413 0.000 0.968 642 D CA 1.082 54.997 54.000 -0.141 0.000 0.882 642 D CB 0.089 40.853 40.800 -0.061 0.000 0.918 642 D HN 0.394 nan 8.370 nan 0.000 0.503 643 M N 0.001 119.136 119.600 -0.774 0.000 2.419 643 M HA 0.159 4.639 4.480 -0.000 0.000 0.252 643 M C -0.024 175.763 176.300 -0.855 0.000 1.143 643 M CA -0.272 54.095 55.300 -1.554 0.000 0.985 643 M CB 0.639 32.462 32.600 -1.295 0.000 1.489 643 M HN -0.200 nan 8.290 nan 0.000 0.484 644 L N 1.152 122.063 121.223 -0.519 0.000 2.540 644 L HA 0.059 4.399 4.340 -0.000 0.000 0.276 644 L C 1.428 178.201 176.870 -0.161 0.000 1.212 644 L CA 1.014 55.619 54.840 -0.392 0.000 0.893 644 L CB -0.031 41.836 42.059 -0.321 0.000 1.138 644 L HN 0.662 nan 8.230 nan 0.000 0.491 645 G N 1.423 110.094 108.800 -0.214 0.000 2.320 645 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.242 645 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.242 645 G C 0.611 175.503 174.900 -0.013 0.000 1.033 645 G CA 0.357 45.401 45.100 -0.093 0.000 0.620 645 G HN 0.678 nan 8.290 nan 0.000 0.517 646 W N 1.129 122.250 121.300 -0.298 0.000 2.313 646 W HA -0.026 4.634 4.660 -0.000 0.000 0.293 646 W C 2.575 178.918 176.519 -0.294 0.000 1.216 646 W CA 1.676 58.888 57.345 -0.220 0.000 1.223 646 W CB -0.910 28.509 29.460 -0.068 0.000 1.138 646 W HN 0.579 nan 8.180 nan 0.000 0.535 647 Q N 0.973 120.547 119.800 -0.377 0.000 2.181 647 Q HA -0.170 4.170 4.340 -0.000 0.000 0.205 647 Q C 1.293 177.211 176.000 -0.137 0.000 0.980 647 Q CA 2.147 57.763 55.803 -0.312 0.000 0.862 647 Q CB -0.375 28.066 28.738 -0.495 0.000 0.905 647 Q HN 0.147 nan 8.270 nan 0.000 0.429 648 S N -0.879 114.738 115.700 -0.138 0.000 2.558 648 S HA 0.498 4.968 4.470 -0.000 0.000 0.238 648 S C -0.403 174.142 174.600 -0.092 0.000 1.183 648 S CA -0.892 57.245 58.200 -0.106 0.000 1.185 648 S CB 0.435 63.563 63.200 -0.120 0.000 1.003 648 S HN 0.171 nan 8.310 nan 0.000 0.478 649 R N 0.181 120.628 120.500 -0.088 0.000 2.711 649 R HA 0.702 5.041 4.340 -0.000 0.000 0.284 649 R C 0.734 176.970 176.300 -0.107 0.000 0.968 649 R CA -0.629 55.408 56.100 -0.105 0.000 0.924 649 R CB 1.745 31.960 30.300 -0.142 0.000 1.162 649 R HN 0.436 nan 8.270 nan 0.000 0.465 650 G N 0.092 108.832 108.800 -0.100 0.000 2.509 650 G HA2 0.483 4.443 3.960 -0.000 0.000 0.269 650 G HA3 0.483 4.443 3.960 -0.000 0.000 0.269 650 G C 0.152 174.983 174.900 -0.114 0.000 1.416 650 G CA 0.006 45.053 45.100 -0.089 0.000 1.052 650 G HN 0.780 nan 8.290 nan 0.000 0.542 651 G N -1.240 107.501 108.800 -0.098 0.000 2.633 651 G HA2 0.117 4.077 3.960 -0.000 0.000 0.263 651 G HA3 0.117 4.077 3.960 -0.000 0.000 0.263 651 G C 0.309 175.118 174.900 -0.152 0.000 1.310 651 G CA 0.688 45.719 45.100 -0.115 0.000 0.914 651 G HN 1.919 nan 8.290 nan 0.000 0.569 652 S N -0.704 114.887 115.700 -0.182 0.000 2.746 652 S HA 0.506 4.976 4.470 -0.000 0.000 0.273 652 S C 0.917 175.328 174.600 -0.314 0.000 1.172 652 S CA 0.403 58.465 58.200 -0.230 0.000 1.116 652 S CB 1.222 64.316 63.200 -0.177 0.000 1.057 652 S HN 0.550 nan 8.310 nan 0.000 0.483 653 E N 3.121 123.017 120.200 -0.506 0.000 2.097 653 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 653 E C 1.688 177.986 176.600 -0.504 0.000 1.000 653 E CA 1.913 57.897 56.400 -0.693 0.000 0.804 653 E CB -0.193 28.533 29.700 -1.623 0.000 0.740 653 E HN 0.948 nan 8.360 nan 0.000 0.454 654 I N -2.724 117.500 120.570 -0.576 0.000 3.684 654 I HA 0.282 4.452 4.170 -0.000 0.000 0.304 654 I C 0.802 176.671 176.117 -0.413 0.000 1.278 654 I CA 0.499 61.313 61.300 -0.810 0.000 1.272 654 I CB -0.075 37.371 38.000 -0.923 0.000 1.029 654 I HN -0.012 nan 8.210 nan 0.000 0.458 655 G N 1.251 109.903 108.800 -0.248 0.000 2.722 655 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.686 655 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.686 655 G C -0.412 174.402 174.900 -0.144 0.000 1.282 655 G CA -0.118 44.902 45.100 -0.134 0.000 0.817 655 G HN 0.616 nan 8.290 nan 0.000 0.605 656 T N 0.474 114.964 114.554 -0.108 0.000 2.932 656 T HA 0.759 5.109 4.350 -0.000 0.000 0.318 656 T C -0.072 174.585 174.700 -0.071 0.000 1.265 656 T CA 0.425 62.458 62.100 -0.112 0.000 1.036 656 T CB 1.475 70.274 68.868 -0.115 0.000 1.209 656 T HN 1.916 nan 8.240 nan 0.000 0.484 657 N N 1.795 120.453 118.700 -0.071 0.000 3.387 657 N HA 0.536 5.276 4.740 -0.000 0.000 0.322 657 N C -0.166 175.336 175.510 -0.014 0.000 1.588 657 N CA -1.055 51.978 53.050 -0.028 0.000 0.778 657 N CB 0.950 39.432 38.487 -0.009 0.000 1.883 657 N HN 0.464 nan 8.380 nan 0.000 0.628 658 R N -0.433 120.080 120.500 0.022 0.000 2.509 658 R HA 0.348 4.688 4.340 -0.000 0.000 0.300 658 R C -0.531 175.820 176.300 0.084 0.000 0.985 658 R CA -0.314 55.818 56.100 0.052 0.000 1.092 658 R CB 0.342 30.679 30.300 0.062 0.000 1.237 658 R HN 0.309 nan 8.270 nan 0.000 0.546 659 V N 2.485 122.450 119.914 0.085 0.000 2.521 659 V HA 0.017 4.137 4.120 -0.000 0.000 0.286 659 V C 1.024 177.270 176.094 0.253 0.000 1.034 659 V CA -0.106 62.276 62.300 0.135 0.000 1.045 659 V CB 0.850 32.750 31.823 0.128 0.000 0.974 659 V HN 0.293 nan 8.190 nan 0.000 0.480 660 T N 3.098 117.785 114.554 0.222 0.000 2.899 660 T HA 0.342 4.692 4.350 -0.000 0.000 0.284 660 T C -1.776 172.988 174.700 0.107 0.000 1.004 660 T CA -1.897 60.348 62.100 0.242 0.000 1.043 660 T CB 1.585 70.516 68.868 0.106 0.000 1.013 660 T HN 0.389 nan 8.240 nan 0.000 0.518 661 P HA -0.133 nan 4.420 nan 0.000 0.215 661 P C 1.417 178.537 177.300 -0.300 0.000 1.157 661 P CA 1.294 64.005 63.100 -0.648 0.000 0.874 661 P CB 0.034 31.110 31.700 -1.040 0.000 0.790 662 E N -0.387 119.684 120.200 -0.215 0.000 2.160 662 E HA -0.220 4.129 4.350 -0.000 0.000 0.195 662 E C 1.827 178.393 176.600 -0.057 0.000 0.991 662 E CA 1.054 57.378 56.400 -0.128 0.000 0.810 662 E CB -0.393 29.256 29.700 -0.086 0.000 0.742 662 E HN 0.479 nan 8.360 nan 0.000 0.466 663 E N 0.006 120.194 120.200 -0.019 0.000 2.285 663 E HA -0.045 4.304 4.350 -0.000 0.000 0.194 663 E C 1.473 178.090 176.600 0.027 0.000 0.997 663 E CA 0.644 57.056 56.400 0.019 0.000 0.845 663 E CB 0.182 29.912 29.700 0.050 0.000 0.782 663 E HN 0.166 nan 8.360 nan 0.000 0.491 664 A N 1.331 124.166 122.820 0.026 0.000 2.308 664 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 664 A C -0.197 177.401 177.584 0.025 0.000 1.216 664 A CA 0.203 52.272 52.037 0.053 0.000 0.864 664 A CB 0.238 19.318 19.000 0.134 0.000 0.902 664 A HN 0.189 nan 8.150 nan 0.000 0.499 665 D N -1.892 118.497 120.400 -0.018 0.000 4.303 665 D HA -0.133 4.507 4.640 -0.000 0.000 0.230 665 D C 0.102 176.359 176.300 -0.071 0.000 1.172 665 D CA 0.203 54.189 54.000 -0.023 0.000 1.001 665 D CB -1.336 39.474 40.800 0.016 0.000 0.641 665 D HN 0.052 nan 8.370 nan 0.000 0.296 666 L N 4.444 125.575 121.223 -0.154 0.000 2.013 666 L HA 0.060 4.400 4.340 -0.000 0.000 0.212 666 L C 2.641 179.360 176.870 -0.252 0.000 1.073 666 L CA 2.913 57.575 54.840 -0.296 0.000 0.753 666 L CB -1.012 40.777 42.059 -0.451 0.000 0.890 666 L HN 0.727 nan 8.230 nan 0.000 0.432 667 G N -1.097 107.649 108.800 -0.089 0.000 2.628 667 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.217 667 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.217 667 G C 1.535 176.495 174.900 0.100 0.000 1.240 667 G CA 1.209 46.394 45.100 0.141 0.000 0.792 667 G HN 0.273 nan 8.290 nan 0.000 0.593 668 M N 0.432 120.077 119.600 0.074 0.000 2.143 668 M HA -0.111 4.369 4.480 -0.000 0.000 0.258 668 M C 2.576 179.034 176.300 0.264 0.000 1.071 668 M CA 1.063 56.437 55.300 0.124 0.000 1.088 668 M CB -1.000 31.694 32.600 0.156 0.000 1.360 668 M HN 0.215 nan 8.290 nan 0.000 0.404 669 I N -0.033 120.641 120.570 0.173 0.000 2.072 669 I HA -0.224 3.946 4.170 -0.000 0.000 0.235 669 I C 2.620 178.835 176.117 0.163 0.000 1.058 669 I CA 1.667 63.063 61.300 0.160 0.000 1.320 669 I CB -1.942 35.982 38.000 -0.126 0.000 1.047 669 I HN 0.195 nan 8.210 nan 0.000 0.397 670 A N 0.307 123.136 122.820 0.016 0.000 1.927 670 A HA -0.312 4.008 4.320 -0.000 0.000 0.220 670 A C 2.384 180.021 177.584 0.088 0.000 1.185 670 A CA 2.153 54.064 52.037 -0.211 0.000 0.639 670 A CB -1.351 17.418 19.000 -0.384 0.000 0.820 670 A HN 0.551 nan 8.150 nan 0.000 0.451 671 Y N -0.789 119.527 120.300 0.026 0.000 2.014 671 Y HA -0.308 4.242 4.550 -0.000 0.000 0.270 671 Y C 2.227 178.181 175.900 0.090 0.000 1.145 671 Y CA 2.112 60.200 58.100 -0.019 0.000 1.106 671 Y CB -1.026 37.332 38.460 -0.170 0.000 0.968 671 Y HN 0.358 nan 8.280 nan 0.000 0.484 672 Y N -0.792 119.564 120.300 0.093 0.000 2.193 672 Y HA -0.279 4.271 4.550 -0.000 0.000 0.285 672 Y C 2.360 178.394 175.900 0.223 0.000 1.166 672 Y CA 1.658 59.837 58.100 0.131 0.000 1.181 672 Y CB -1.176 37.501 38.460 0.361 0.000 0.976 672 Y HN 0.204 nan 8.280 nan 0.000 0.520 673 F N 0.375 120.462 119.950 0.228 0.000 2.026 673 F HA -0.305 4.222 4.527 -0.000 0.000 0.296 673 F C 2.709 178.432 175.800 -0.127 0.000 1.133 673 F CA 2.027 60.126 58.000 0.165 0.000 1.188 673 F CB -1.231 37.961 39.000 0.320 0.000 0.968 673 F HN 0.088 nan 8.300 nan 0.000 0.476 674 Q N 0.465 120.310 119.800 0.076 0.000 2.045 674 Q HA -0.327 4.013 4.340 -0.000 0.000 0.206 674 Q C 2.384 178.247 176.000 -0.228 0.000 0.991 674 Q CA 2.471 58.221 55.803 -0.088 0.000 0.851 674 Q CB -0.333 28.350 28.738 -0.092 0.000 0.911 674 Q HN 0.407 nan 8.270 nan 0.000 0.418 675 K N -0.640 119.566 120.400 -0.324 0.000 2.034 675 K HA -0.229 4.091 4.320 -0.000 0.000 0.214 675 K C 1.679 177.971 176.600 -0.513 0.000 1.051 675 K CA 2.014 58.041 56.287 -0.432 0.000 0.931 675 K CB -0.328 31.856 32.500 -0.527 0.000 0.715 675 K HN 0.303 nan 8.250 nan 0.000 0.446 676 Y N 1.007 120.972 120.300 -0.559 0.000 2.546 676 Y HA 0.066 4.616 4.550 -0.000 0.000 0.287 676 Y C -0.296 175.110 175.900 -0.823 0.000 1.158 676 Y CA 0.770 58.392 58.100 -0.795 0.000 1.307 676 Y CB 0.069 37.779 38.460 -1.251 0.000 1.036 676 Y HN 0.206 nan 8.280 nan 0.000 0.532 677 E N -0.341 119.540 120.200 -0.531 0.000 2.414 677 E HA -0.223 4.127 4.350 -0.000 0.000 0.173 677 E C -1.351 175.091 176.600 -0.263 0.000 1.551 677 E CA -0.120 56.090 56.400 -0.317 0.000 0.661 677 E CB -1.893 27.687 29.700 -0.201 0.000 1.108 677 E HN 0.132 nan 8.360 nan 0.000 0.365 678 F N 1.268 121.124 119.950 -0.156 0.000 2.411 678 F HA 0.178 4.705 4.527 -0.000 0.000 0.355 678 F C 1.596 177.336 175.800 -0.100 0.000 1.117 678 F CA -1.089 56.790 58.000 -0.202 0.000 1.139 678 F CB 0.808 39.518 39.000 -0.484 0.000 1.120 678 F HN 0.076 nan 8.300 nan 0.000 0.493 679 D N 1.841 122.331 120.400 0.150 0.000 2.234 679 D HA 0.101 4.741 4.640 -0.000 0.000 0.205 679 D C 1.043 177.398 176.300 0.091 0.000 0.962 679 D CA 0.806 54.864 54.000 0.096 0.000 0.855 679 D CB 0.473 41.319 40.800 0.075 0.000 0.951 679 D HN 0.627 nan 8.370 nan 0.000 0.500 680 G N 0.149 108.997 108.800 0.079 0.000 2.718 680 G HA2 0.469 4.429 3.960 -0.000 0.000 0.295 680 G HA3 0.469 4.429 3.960 -0.000 0.000 0.295 680 G C -2.004 172.901 174.900 0.009 0.000 1.421 680 G CA -0.521 44.618 45.100 0.066 0.000 0.902 680 G HN 0.027 nan 8.290 nan 0.000 0.501 681 L N 0.882 122.148 121.223 0.072 0.000 2.334 681 L HA 0.816 5.156 4.340 -0.000 0.000 0.276 681 L C -0.731 176.190 176.870 0.085 0.000 1.014 681 L CA -1.074 53.800 54.840 0.057 0.000 0.815 681 L CB 1.636 43.835 42.059 0.233 0.000 1.268 681 L HN 0.458 nan 8.230 nan 0.000 0.428 682 I N 5.976 126.571 120.570 0.042 0.000 2.476 682 I HA 0.370 4.540 4.170 -0.000 0.000 0.281 682 I C -0.828 175.305 176.117 0.027 0.000 1.040 682 I CA -0.284 61.046 61.300 0.049 0.000 1.094 682 I CB 1.445 39.467 38.000 0.035 0.000 1.219 682 I HN 0.485 nan 8.210 nan 0.000 0.450 683 I N 6.978 127.575 120.570 0.045 0.000 2.315 683 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 683 I C -0.375 175.738 176.117 -0.006 0.000 1.006 683 I CA -0.709 60.600 61.300 0.016 0.000 1.265 683 I CB 1.652 39.692 38.000 0.068 0.000 1.387 683 I HN 0.149 nan 8.210 nan 0.000 0.475 684 V N 6.064 125.953 119.914 -0.043 0.000 2.384 684 V HA 0.900 5.020 4.120 -0.000 0.000 0.287 684 V C 0.428 176.490 176.094 -0.053 0.000 1.020 684 V CA -0.112 62.165 62.300 -0.039 0.000 0.850 684 V CB 0.994 32.792 31.823 -0.042 0.000 0.987 684 V HN 1.054 nan 8.190 nan 0.000 0.436 685 G N 3.177 111.958 108.800 -0.032 0.000 2.323 685 G HA2 0.534 4.494 3.960 -0.000 0.000 0.291 685 G HA3 0.534 4.494 3.960 -0.000 0.000 0.291 685 G C -0.193 174.706 174.900 -0.002 0.000 1.278 685 G CA 0.061 45.144 45.100 -0.028 0.000 0.860 685 G HN 0.922 nan 8.290 nan 0.000 0.504 686 G N -1.239 107.573 108.800 0.019 0.000 2.714 686 G HA2 0.445 4.405 3.960 -0.000 0.000 0.197 686 G HA3 0.445 4.405 3.960 -0.000 0.000 0.197 686 G C 0.783 175.761 174.900 0.130 0.000 1.449 686 G CA 0.269 45.401 45.100 0.055 0.000 1.065 686 G HN 0.673 nan 8.290 nan 0.000 0.575 687 F N 0.254 120.210 119.950 0.009 0.000 2.333 687 F HA 0.028 4.555 4.527 -0.000 0.000 0.300 687 F C 2.541 178.445 175.800 0.173 0.000 1.083 687 F CA 1.468 59.507 58.000 0.064 0.000 1.395 687 F CB 0.265 39.270 39.000 0.007 0.000 1.056 687 F HN 0.310 nan 8.300 nan 0.000 0.529 688 E N -0.110 120.217 120.200 0.211 0.000 2.158 688 E HA -0.000 4.350 4.350 -0.000 0.000 0.191 688 E C 2.256 178.925 176.600 0.115 0.000 0.982 688 E CA 0.994 57.488 56.400 0.156 0.000 0.823 688 E CB -0.506 29.279 29.700 0.142 0.000 0.766 688 E HN 0.340 nan 8.360 nan 0.000 0.468 689 A N -0.173 122.707 122.820 0.100 0.000 2.014 689 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 689 A C 1.942 179.597 177.584 0.119 0.000 1.163 689 A CA 0.702 52.797 52.037 0.097 0.000 0.652 689 A CB -0.568 18.463 19.000 0.051 0.000 0.808 689 A HN 0.298 nan 8.150 nan 0.000 0.449 690 F N 0.993 120.860 119.950 -0.138 0.000 2.039 690 F HA -0.104 4.423 4.527 -0.000 0.000 0.294 690 F C 2.211 177.917 175.800 -0.156 0.000 1.130 690 F CA 2.100 59.970 58.000 -0.216 0.000 1.189 690 F CB -0.627 38.053 39.000 -0.533 0.000 0.983 690 F HN 0.320 nan 8.300 nan 0.000 0.471 691 E N 0.309 120.431 120.200 -0.130 0.000 2.136 691 E HA -0.222 4.128 4.350 -0.000 0.000 0.202 691 E C 2.145 178.726 176.600 -0.032 0.000 1.019 691 E CA 2.156 58.516 56.400 -0.067 0.000 0.819 691 E CB -0.601 29.113 29.700 0.024 0.000 0.739 691 E HN 0.425 nan 8.360 nan 0.000 0.458 692 S N -0.006 115.715 115.700 0.034 0.000 2.354 692 S HA -0.197 4.273 4.470 -0.000 0.000 0.219 692 S C 1.761 176.304 174.600 -0.096 0.000 1.035 692 S CA 1.163 59.392 58.200 0.049 0.000 1.037 692 S CB -0.779 62.655 63.200 0.389 0.000 0.956 692 S HN 0.369 nan 8.310 nan 0.000 0.428 693 L N 2.481 123.672 121.223 -0.054 0.000 2.011 693 L HA -0.280 4.060 4.340 -0.000 0.000 0.225 693 L C 2.298 179.030 176.870 -0.230 0.000 1.084 693 L CA 2.486 57.255 54.840 -0.118 0.000 0.791 693 L CB -1.172 40.824 42.059 -0.105 0.000 0.898 693 L HN 0.549 nan 8.230 nan 0.000 0.440 694 H N -0.611 118.215 119.070 -0.406 0.000 2.289 694 H HA -0.243 4.313 4.556 -0.000 0.000 0.294 694 H C 2.079 177.136 175.328 -0.453 0.000 1.095 694 H CA 2.577 58.307 56.048 -0.529 0.000 1.256 694 H CB -0.110 29.138 29.762 -0.858 0.000 1.359 694 H HN 0.614 nan 8.280 nan 0.000 0.487 695 Q N 0.245 119.782 119.800 -0.438 0.000 2.020 695 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 695 Q C 2.974 178.659 176.000 -0.526 0.000 0.982 695 Q CA 1.589 57.106 55.803 -0.478 0.000 0.838 695 Q CB 0.003 28.556 28.738 -0.308 0.000 0.899 695 Q HN 0.472 nan 8.270 nan 0.000 0.423 696 L N 0.805 121.676 121.223 -0.587 0.000 2.079 696 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 696 L C 2.663 179.258 176.870 -0.458 0.000 1.081 696 L CA 1.112 55.475 54.840 -0.795 0.000 0.752 696 L CB -0.617 40.910 42.059 -0.885 0.000 0.896 696 L HN 0.350 nan 8.230 nan 0.000 0.433 697 E N 1.727 121.722 120.200 -0.341 0.000 2.072 697 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 697 E C 1.906 178.385 176.600 -0.201 0.000 0.985 697 E CA 1.252 57.530 56.400 -0.204 0.000 0.801 697 E CB 0.086 29.671 29.700 -0.193 0.000 0.750 697 E HN 0.457 nan 8.360 nan 0.000 0.452 698 R N 0.144 120.434 120.500 -0.349 0.000 2.346 698 R HA 0.240 4.580 4.340 -0.000 0.000 0.225 698 R C 0.930 177.134 176.300 -0.161 0.000 0.987 698 R CA 0.875 56.808 56.100 -0.278 0.000 1.106 698 R CB -0.481 29.567 30.300 -0.419 0.000 1.090 698 R HN 0.050 nan 8.270 nan 0.000 0.502 699 A N -0.259 122.499 122.820 -0.103 0.000 2.431 699 A HA 0.351 4.671 4.320 -0.000 0.000 0.239 699 A C 1.513 179.244 177.584 0.246 0.000 1.230 699 A CA -0.432 51.641 52.037 0.061 0.000 0.928 699 A CB -0.070 18.916 19.000 -0.023 0.000 1.006 699 A HN 0.186 nan 8.150 nan 0.000 0.520 700 R N 1.817 122.408 120.500 0.151 0.000 2.171 700 R HA -0.133 4.207 4.340 -0.000 0.000 0.226 700 R C 1.111 177.496 176.300 0.141 0.000 1.113 700 R CA 1.855 58.059 56.100 0.174 0.000 0.887 700 R CB -0.350 30.004 30.300 0.089 0.000 0.830 700 R HN 0.512 nan 8.270 nan 0.000 0.432 701 E N 0.238 120.488 120.200 0.084 0.000 2.265 701 E HA 0.033 4.383 4.350 -0.000 0.000 0.272 701 E C -0.257 176.385 176.600 0.071 0.000 1.067 701 E CA 0.846 57.279 56.400 0.056 0.000 0.900 701 E CB 1.111 30.831 29.700 0.033 0.000 1.017 701 E HN 0.330 nan 8.360 nan 0.000 0.431 702 S N 3.091 118.812 115.700 0.035 0.000 1.276 702 S HA -0.119 4.351 4.470 -0.000 0.000 0.252 702 S C -1.028 173.443 174.600 -0.215 0.000 0.687 702 S CA 0.126 58.306 58.200 -0.034 0.000 0.993 702 S CB -1.128 62.161 63.200 0.149 0.000 1.001 702 S HN 0.575 nan 8.310 nan 0.000 0.488 703 Y N 1.507 121.754 120.300 -0.088 0.000 2.422 703 Y HA 0.348 4.898 4.550 -0.000 0.000 0.344 703 Y C -2.168 173.581 175.900 -0.251 0.000 1.097 703 Y CA -1.152 56.807 58.100 -0.236 0.000 1.307 703 Y CB 1.651 39.850 38.460 -0.435 0.000 1.102 703 Y HN 0.041 nan 8.280 nan 0.000 0.520 704 P HA -0.200 nan 4.420 nan 0.000 0.229 704 P C 1.135 178.425 177.300 -0.018 0.000 1.150 704 P CA 1.394 64.485 63.100 -0.015 0.000 0.765 704 P CB 0.326 32.013 31.700 -0.020 0.000 0.783 705 A N -0.787 121.951 122.820 -0.137 0.000 2.121 705 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 705 A C 1.449 179.148 177.584 0.191 0.000 1.154 705 A CA 0.838 52.849 52.037 -0.044 0.000 0.679 705 A CB -1.252 17.671 19.000 -0.129 0.000 0.795 705 A HN 0.080 nan 8.150 nan 0.000 0.458 706 F N -0.317 119.749 119.950 0.193 0.000 2.765 706 F HA 0.196 4.723 4.527 -0.000 0.000 0.302 706 F C 1.417 177.293 175.800 0.127 0.000 1.111 706 F CA -0.342 57.755 58.000 0.161 0.000 1.359 706 F CB -0.041 38.971 39.000 0.019 0.000 1.097 706 F HN 0.063 nan 8.300 nan 0.000 0.577 707 R N 1.735 122.384 120.500 0.249 0.000 2.526 707 R HA 0.134 4.474 4.340 -0.000 0.000 0.223 707 R C 0.446 176.838 176.300 0.154 0.000 1.250 707 R CA 0.145 56.344 56.100 0.165 0.000 1.227 707 R CB -1.319 29.046 30.300 0.108 0.000 1.109 707 R HN 0.390 nan 8.270 nan 0.000 0.499 708 I N -2.583 118.110 120.570 0.205 0.000 2.947 708 I HA 0.567 4.737 4.170 -0.000 0.000 0.314 708 I C -2.551 173.660 176.117 0.157 0.000 1.028 708 I CA -3.344 58.056 61.300 0.166 0.000 1.077 708 I CB 1.399 39.513 38.000 0.191 0.000 1.274 708 I HN -0.289 nan 8.210 nan 0.000 0.485 709 P HA 0.313 nan 4.420 nan 0.000 0.275 709 P C -0.314 177.119 177.300 0.222 0.000 1.228 709 P CA -0.222 62.960 63.100 0.135 0.000 0.786 709 P CB 0.957 32.659 31.700 0.004 0.000 0.927 710 M N 0.847 120.627 119.600 0.300 0.000 2.902 710 M HA 0.161 4.641 4.480 -0.000 0.000 0.225 710 M C -0.072 176.365 176.300 0.229 0.000 1.711 710 M CA -0.044 55.401 55.300 0.242 0.000 1.213 710 M CB 0.205 32.908 32.600 0.171 0.000 1.265 710 M HN 0.007 nan 8.290 nan 0.000 0.577 711 V N 2.262 122.277 119.914 0.169 0.000 3.584 711 V HA -0.199 3.921 4.120 -0.000 0.000 0.512 711 V C -1.467 174.636 176.094 0.014 0.000 0.682 711 V CA 0.005 62.302 62.300 -0.005 0.000 2.064 711 V CB -0.069 31.744 31.823 -0.016 0.000 2.486 711 V HN 0.403 nan 8.190 nan 0.000 0.511 712 L N 7.943 129.152 121.223 -0.022 0.000 2.362 712 L HA 0.752 5.092 4.340 -0.000 0.000 0.275 712 L C -0.274 176.586 176.870 -0.017 0.000 0.998 712 L CA -0.095 54.753 54.840 0.013 0.000 0.820 712 L CB 1.780 43.879 42.059 0.067 0.000 1.270 712 L HN 0.560 nan 8.230 nan 0.000 0.415 713 I N 7.207 127.770 120.570 -0.011 0.000 2.307 713 I HA 0.313 4.483 4.170 -0.000 0.000 0.287 713 I C -2.027 174.076 176.117 -0.024 0.000 1.054 713 I CA -1.820 59.464 61.300 -0.027 0.000 1.218 713 I CB 1.038 39.028 38.000 -0.016 0.000 1.398 713 I HN 0.486 nan 8.210 nan 0.000 0.475 714 P HA 0.097 nan 4.420 nan 0.000 0.265 714 P C -0.816 176.438 177.300 -0.076 0.000 1.187 714 P CA -0.013 63.058 63.100 -0.048 0.000 0.766 714 P CB 0.699 32.355 31.700 -0.074 0.000 0.820 715 A N 1.678 124.453 122.820 -0.076 0.000 2.500 715 A HA 0.646 4.966 4.320 -0.000 0.000 0.288 715 A C -0.760 176.773 177.584 -0.085 0.000 1.045 715 A CA -0.300 51.681 52.037 -0.093 0.000 0.830 715 A CB 1.049 20.010 19.000 -0.064 0.000 1.337 715 A HN 0.541 nan 8.150 nan 0.000 0.400 716 T N 1.747 116.229 114.554 -0.120 0.000 3.559 716 T HA 0.380 4.730 4.350 -0.000 0.000 0.391 716 T C 0.473 175.095 174.700 -0.130 0.000 1.522 716 T CA 0.041 62.084 62.100 -0.095 0.000 1.159 716 T CB -0.086 68.744 68.868 -0.064 0.000 1.384 716 T HN 1.705 nan 8.240 nan 0.000 0.475 717 L N 3.012 124.176 121.223 -0.099 0.000 2.450 717 L HA 0.248 4.588 4.340 -0.000 0.000 0.224 717 L C 2.088 178.907 176.870 -0.084 0.000 1.149 717 L CA 1.671 56.455 54.840 -0.094 0.000 0.816 717 L CB -1.099 40.920 42.059 -0.067 0.000 0.932 717 L HN 0.487 nan 8.230 nan 0.000 0.449 718 S N -0.222 115.424 115.700 -0.090 0.000 2.461 718 S HA -0.052 4.418 4.470 -0.000 0.000 0.228 718 S C 0.943 175.467 174.600 -0.125 0.000 1.005 718 S CA 0.713 58.867 58.200 -0.076 0.000 0.942 718 S CB -0.676 62.485 63.200 -0.064 0.000 0.776 718 S HN 0.694 nan 8.310 nan 0.000 0.514 719 N N 2.058 120.635 118.700 -0.206 0.000 2.740 719 N HA -0.152 4.588 4.740 -0.000 0.000 0.248 719 N C -0.074 175.350 175.510 -0.144 0.000 1.062 719 N CA 0.829 53.692 53.050 -0.312 0.000 0.704 719 N CB -1.519 36.534 38.487 -0.723 0.000 0.968 719 N HN 0.624 nan 8.380 nan 0.000 0.547 720 N N -1.728 116.922 118.700 -0.084 0.000 2.203 720 N HA 0.065 4.805 4.740 -0.000 0.000 0.207 720 N C -0.329 175.147 175.510 -0.056 0.000 1.130 720 N CA -0.023 53.002 53.050 -0.041 0.000 0.861 720 N CB 0.278 38.718 38.487 -0.078 0.000 1.005 720 N HN 0.087 nan 8.380 nan 0.000 0.507 721 V N 2.743 122.609 119.914 -0.080 0.000 2.408 721 V HA 0.298 4.418 4.120 -0.000 0.000 0.267 721 V C -2.038 173.916 176.094 -0.233 0.000 1.047 721 V CA -1.388 60.808 62.300 -0.173 0.000 0.937 721 V CB 1.047 32.779 31.823 -0.151 0.000 0.999 721 V HN 0.055 nan 8.190 nan 0.000 0.472 722 P HA 0.284 nan 4.420 nan 0.000 0.269 722 P C 0.899 178.129 177.300 -0.117 0.000 1.209 722 P CA 0.993 63.957 63.100 -0.226 0.000 0.776 722 P CB 0.671 32.217 31.700 -0.257 0.000 0.876 723 G N -0.349 108.435 108.800 -0.025 0.000 2.176 723 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.232 723 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.232 723 G C 0.235 175.115 174.900 -0.035 0.000 0.986 723 G CA 0.215 45.319 45.100 0.007 0.000 0.643 723 G HN 0.863 nan 8.290 nan 0.000 0.522 724 T N -1.307 113.212 114.554 -0.058 0.000 2.792 724 T HA 0.574 4.924 4.350 -0.000 0.000 0.303 724 T C 0.091 174.729 174.700 -0.104 0.000 1.310 724 T CA 0.253 62.309 62.100 -0.073 0.000 1.007 724 T CB 1.501 70.327 68.868 -0.070 0.000 1.335 724 T HN 0.070 nan 8.240 nan 0.000 0.504 725 E N 0.367 120.498 120.200 -0.115 0.000 2.498 725 E HA 0.166 4.516 4.350 -0.000 0.000 0.203 725 E C -1.109 175.483 176.600 -0.013 0.000 1.013 725 E CA -0.030 56.258 56.400 -0.186 0.000 0.927 725 E CB 1.032 30.576 29.700 -0.259 0.000 1.012 725 E HN 0.457 nan 8.360 nan 0.000 0.482 726 Y N 1.530 121.749 120.300 -0.136 0.000 2.294 726 Y HA 0.127 4.677 4.550 -0.000 0.000 0.329 726 Y C -0.595 175.229 175.900 -0.127 0.000 1.135 726 Y CA -1.129 56.882 58.100 -0.148 0.000 1.213 726 Y CB 0.749 39.148 38.460 -0.102 0.000 1.141 726 Y HN -0.102 nan 8.280 nan 0.000 0.446 727 S N 4.849 120.145 115.700 -0.674 0.000 2.617 727 S HA 0.587 5.057 4.470 -0.000 0.000 0.269 727 S C -0.219 173.986 174.600 -0.659 0.000 1.292 727 S CA -0.865 57.050 58.200 -0.475 0.000 1.010 727 S CB 1.180 64.185 63.200 -0.325 0.000 0.944 727 S HN 0.678 nan 8.310 nan 0.000 0.536 728 L N 1.651 122.709 121.223 -0.274 0.000 2.439 728 L HA 0.470 4.810 4.340 -0.000 0.000 0.269 728 L C 1.660 178.433 176.870 -0.162 0.000 1.179 728 L CA 0.750 55.511 54.840 -0.132 0.000 0.828 728 L CB 0.267 42.314 42.059 -0.021 0.000 1.106 728 L HN 1.201 nan 8.230 nan 0.000 0.467 729 G N 0.894 109.649 108.800 -0.076 0.000 2.258 729 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.233 729 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.233 729 G C 1.115 175.971 174.900 -0.074 0.000 1.006 729 G CA 0.653 45.714 45.100 -0.064 0.000 0.620 729 G HN 0.662 nan 8.290 nan 0.000 0.511 730 S N 0.574 116.157 115.700 -0.195 0.000 2.365 730 S HA -0.208 4.262 4.470 -0.000 0.000 0.221 730 S C 1.919 176.563 174.600 0.074 0.000 1.037 730 S CA 2.542 60.665 58.200 -0.129 0.000 1.060 730 S CB -0.448 62.504 63.200 -0.414 0.000 0.974 730 S HN 0.655 nan 8.310 nan 0.000 0.427 731 D N -0.558 119.979 120.400 0.229 0.000 2.149 731 D HA -0.092 4.548 4.640 -0.000 0.000 0.198 731 D C 1.937 178.280 176.300 0.072 0.000 0.990 731 D CA 1.853 55.954 54.000 0.168 0.000 0.839 731 D CB -0.368 40.516 40.800 0.140 0.000 0.948 731 D HN 0.444 nan 8.370 nan 0.000 0.460 732 T N -0.630 113.956 114.554 0.054 0.000 2.708 732 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 732 T C 1.926 176.629 174.700 0.005 0.000 1.037 732 T CA 1.539 63.650 62.100 0.017 0.000 1.146 732 T CB -0.525 68.345 68.868 0.003 0.000 0.865 732 T HN 0.294 nan 8.240 nan 0.000 0.435 733 A N 1.216 124.034 122.820 -0.003 0.000 1.873 733 A HA 0.000 4.320 4.320 -0.000 0.000 0.215 733 A C 2.231 179.803 177.584 -0.020 0.000 1.186 733 A CA 1.235 53.259 52.037 -0.022 0.000 0.616 733 A CB -0.883 18.094 19.000 -0.038 0.000 0.823 733 A HN 0.398 nan 8.150 nan 0.000 0.442 734 L N 0.652 121.873 121.223 -0.002 0.000 2.043 734 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 734 L C 1.948 178.816 176.870 -0.002 0.000 1.075 734 L CA 2.173 57.006 54.840 -0.011 0.000 0.752 734 L CB -0.730 41.334 42.059 0.008 0.000 0.891 734 L HN 0.395 nan 8.230 nan 0.000 0.432 735 N N -0.526 118.181 118.700 0.012 0.000 2.171 735 N HA -0.096 4.644 4.740 -0.000 0.000 0.184 735 N C 1.790 177.307 175.510 0.013 0.000 1.021 735 N CA 1.316 54.375 53.050 0.015 0.000 0.854 735 N CB -0.133 38.366 38.487 0.020 0.000 0.994 735 N HN 0.499 nan 8.380 nan 0.000 0.426 736 A N 1.436 124.259 122.820 0.005 0.000 1.883 736 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 736 A C 2.221 179.817 177.584 0.020 0.000 1.186 736 A CA 1.123 53.166 52.037 0.009 0.000 0.624 736 A CB -0.737 18.257 19.000 -0.010 0.000 0.822 736 A HN 0.233 nan 8.150 nan 0.000 0.444 737 L N -0.734 120.481 121.223 -0.015 0.000 2.027 737 L HA -0.085 4.255 4.340 -0.000 0.000 0.206 737 L C 2.502 179.392 176.870 0.033 0.000 1.074 737 L CA 2.455 57.278 54.840 -0.027 0.000 0.745 737 L CB -0.572 41.442 42.059 -0.075 0.000 0.898 737 L HN 0.559 nan 8.230 nan 0.000 0.433 738 M N -0.735 118.873 119.600 0.013 0.000 2.073 738 M HA -0.287 4.193 4.480 -0.000 0.000 0.258 738 M C 2.069 178.388 176.300 0.033 0.000 1.070 738 M CA 2.235 57.544 55.300 0.015 0.000 1.103 738 M CB -0.291 32.311 32.600 0.004 0.000 1.321 738 M HN 0.363 nan 8.290 nan 0.000 0.405 739 E N -0.771 119.453 120.200 0.039 0.000 2.058 739 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 739 E C 1.837 178.465 176.600 0.047 0.000 0.997 739 E CA 1.944 58.363 56.400 0.031 0.000 0.801 739 E CB -0.560 29.158 29.700 0.030 0.000 0.746 739 E HN 0.682 nan 8.360 nan 0.000 0.450 740 Y N 1.181 121.449 120.300 -0.053 0.000 2.081 740 Y HA -0.356 4.194 4.550 -0.000 0.000 0.280 740 Y C 2.475 178.318 175.900 -0.095 0.000 1.163 740 Y CA 1.775 59.834 58.100 -0.070 0.000 1.135 740 Y CB -0.474 37.947 38.460 -0.065 0.000 0.970 740 Y HN 0.069 nan 8.280 nan 0.000 0.498 741 C N 0.570 119.971 119.300 0.168 0.000 2.413 741 C HA -0.211 4.249 4.460 -0.000 0.000 0.276 741 C C 2.451 177.405 174.990 -0.060 0.000 1.248 741 C CA 1.236 60.280 59.018 0.044 0.000 1.742 741 C CB -1.124 26.646 27.740 0.051 0.000 2.017 741 C HN 0.633 nan 8.230 nan 0.000 0.481 742 D N 0.504 120.878 120.400 -0.044 0.000 2.116 742 D HA -0.130 4.510 4.640 -0.000 0.000 0.193 742 D C 2.176 178.416 176.300 -0.101 0.000 0.998 742 D CA 1.257 55.223 54.000 -0.057 0.000 0.836 742 D CB -0.526 40.249 40.800 -0.041 0.000 0.951 742 D HN 0.283 nan 8.370 nan 0.000 0.449 743 V N 0.576 120.401 119.914 -0.148 0.000 2.343 743 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 743 V C 2.623 178.558 176.094 -0.266 0.000 1.051 743 V CA 1.008 63.190 62.300 -0.197 0.000 1.036 743 V CB -0.264 31.414 31.823 -0.242 0.000 0.654 743 V HN 0.057 nan 8.190 nan 0.000 0.451 744 V N -0.261 119.420 119.914 -0.388 0.000 2.427 744 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 744 V C 2.409 178.307 176.094 -0.327 0.000 1.051 744 V CA 2.252 64.223 62.300 -0.548 0.000 1.048 744 V CB -0.510 30.872 31.823 -0.734 0.000 0.666 744 V HN 0.564 nan 8.190 nan 0.000 0.456 745 K N -0.335 119.980 120.400 -0.142 0.000 2.155 745 K HA -0.212 4.108 4.320 -0.000 0.000 0.203 745 K C 2.213 178.830 176.600 0.029 0.000 1.052 745 K CA 1.445 57.737 56.287 0.008 0.000 0.948 745 K CB -0.085 32.421 32.500 0.010 0.000 0.728 745 K HN 0.509 nan 8.250 nan 0.000 0.448 746 Q N 0.329 120.113 119.800 -0.027 0.000 2.061 746 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 746 Q C 2.064 178.080 176.000 0.027 0.000 0.984 746 Q CA 1.943 57.740 55.803 -0.010 0.000 0.846 746 Q CB -0.153 28.560 28.738 -0.040 0.000 0.902 746 Q HN 0.302 nan 8.270 nan 0.000 0.421 747 S N -0.232 115.476 115.700 0.014 0.000 2.365 747 S HA -0.248 4.222 4.470 -0.000 0.000 0.221 747 S C 1.989 176.711 174.600 0.203 0.000 1.037 747 S CA 1.713 59.966 58.200 0.089 0.000 1.060 747 S CB -0.565 62.671 63.200 0.059 0.000 0.974 747 S HN 0.570 nan 8.310 nan 0.000 0.427 748 A N 0.478 123.511 122.820 0.354 0.000 1.958 748 A HA -0.104 4.216 4.320 -0.000 0.000 0.221 748 A C 2.427 180.127 177.584 0.193 0.000 1.178 748 A CA 2.385 54.621 52.037 0.333 0.000 0.642 748 A CB -1.227 18.036 19.000 0.437 0.000 0.816 748 A HN 0.589 nan 8.150 nan 0.000 0.453 749 S N -0.291 115.503 115.700 0.157 0.000 2.423 749 S HA -0.069 4.401 4.470 -0.000 0.000 0.231 749 S C 2.187 176.849 174.600 0.102 0.000 1.014 749 S CA 1.161 59.439 58.200 0.130 0.000 0.965 749 S CB -0.214 63.034 63.200 0.080 0.000 0.785 749 S HN 0.661 nan 8.310 nan 0.000 0.495 750 S N 0.932 116.684 115.700 0.086 0.000 2.383 750 S HA -0.057 4.413 4.470 -0.000 0.000 0.227 750 S C 1.962 176.594 174.600 0.054 0.000 1.026 750 S CA 1.220 59.457 58.200 0.062 0.000 0.981 750 S CB -0.327 62.904 63.200 0.052 0.000 0.818 750 S HN 0.543 nan 8.310 nan 0.000 0.472 751 T N 1.396 115.984 114.554 0.057 0.000 3.035 751 T HA 0.131 4.481 4.350 -0.000 0.000 0.259 751 T C -0.045 174.661 174.700 0.010 0.000 1.078 751 T CA 0.089 62.203 62.100 0.024 0.000 1.132 751 T CB 0.017 68.888 68.868 0.005 0.000 0.900 751 T HN 0.262 nan 8.240 nan 0.000 0.480 752 R N -0.503 120.020 120.500 0.039 0.000 1.046 752 R HA -0.087 4.253 4.340 -0.000 0.000 0.427 752 R C 0.599 176.843 176.300 -0.093 0.000 1.360 752 R CA 0.538 56.664 56.100 0.043 0.000 1.198 752 R CB -1.947 28.378 30.300 0.041 0.000 3.457 752 R HN 0.748 nan 8.270 nan 0.000 0.507 753 G N 1.556 110.229 108.800 -0.212 0.000 2.333 753 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.296 753 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.296 753 G C 0.014 174.425 174.900 -0.815 0.000 1.059 753 G CA 0.992 45.567 45.100 -0.876 0.000 1.050 753 G HN 0.895 nan 8.290 nan 0.000 0.508 754 R N -0.434 119.704 120.500 -0.602 0.000 2.566 754 R HA 0.714 5.053 4.340 -0.000 0.000 0.271 754 R C -0.433 175.920 176.300 0.089 0.000 1.071 754 R CA -0.050 55.917 56.100 -0.222 0.000 0.915 754 R CB 1.216 31.412 30.300 -0.173 0.000 1.228 754 R HN 1.119 nan 8.270 nan 0.000 0.449 755 A N 3.575 126.445 122.820 0.083 0.000 2.380 755 A HA 0.788 5.108 4.320 -0.000 0.000 0.315 755 A C -1.615 175.961 177.584 -0.013 0.000 1.101 755 A CA -0.569 51.569 52.037 0.170 0.000 0.771 755 A CB 1.050 20.207 19.000 0.262 0.000 1.287 755 A HN 0.532 nan 8.150 nan 0.000 0.436 756 F N 0.672 120.683 119.950 0.101 0.000 2.520 756 F HA 0.503 5.030 4.527 -0.000 0.000 0.322 756 F C -0.079 175.750 175.800 0.049 0.000 1.103 756 F CA -0.518 57.522 58.000 0.067 0.000 0.926 756 F CB 2.502 41.531 39.000 0.049 0.000 1.154 756 F HN 0.285 nan 8.300 nan 0.000 0.453 757 V N 5.004 125.059 119.914 0.234 0.000 2.333 757 V HA 0.330 4.450 4.120 -0.000 0.000 0.274 757 V C -0.478 175.652 176.094 0.060 0.000 1.028 757 V CA -0.696 61.678 62.300 0.123 0.000 0.851 757 V CB 1.142 33.019 31.823 0.089 0.000 1.000 757 V HN 0.448 nan 8.190 nan 0.000 0.456 758 V N 3.942 123.872 119.914 0.026 0.000 2.347 758 V HA 0.275 4.395 4.120 -0.000 0.000 0.280 758 V C 0.040 176.054 176.094 -0.133 0.000 1.021 758 V CA -0.674 61.598 62.300 -0.047 0.000 0.847 758 V CB 1.649 33.481 31.823 0.015 0.000 0.990 758 V HN 0.922 nan 8.190 nan 0.000 0.444 759 D N 3.886 124.118 120.400 -0.280 0.000 2.371 759 D HA 0.244 4.884 4.640 -0.000 0.000 0.256 759 D C -0.224 175.984 176.300 -0.153 0.000 1.193 759 D CA 0.188 54.047 54.000 -0.234 0.000 0.881 759 D CB 0.568 41.137 40.800 -0.385 0.000 1.143 759 D HN 0.608 nan 8.370 nan 0.000 0.473 760 C N 2.993 122.233 119.300 -0.100 0.000 2.486 760 C HA 0.498 4.958 4.460 -0.000 0.000 0.348 760 C C 0.471 175.409 174.990 -0.086 0.000 1.203 760 C CA -0.766 58.189 59.018 -0.106 0.000 1.911 760 C CB 1.450 29.135 27.740 -0.091 0.000 2.340 760 C HN 0.623 nan 8.230 nan 0.000 0.511 761 Q N -0.300 119.439 119.800 -0.102 0.000 2.239 761 Q HA 0.561 4.901 4.340 -0.000 0.000 0.193 761 Q C 0.782 176.740 176.000 -0.071 0.000 1.004 761 Q CA 0.305 56.053 55.803 -0.093 0.000 1.040 761 Q CB 1.004 29.667 28.738 -0.124 0.000 1.149 761 Q HN 1.167 nan 8.270 nan 0.000 0.535 762 G N -1.124 107.638 108.800 -0.064 0.000 2.164 762 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.154 762 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.154 762 G C 0.579 175.457 174.900 -0.036 0.000 1.014 762 G CA 0.004 45.076 45.100 -0.047 0.000 0.683 762 G HN 1.118 nan 8.290 nan 0.000 0.500 763 G N 1.037 109.813 108.800 -0.041 0.000 2.690 763 G HA2 -0.443 3.517 3.960 -0.000 0.000 0.334 763 G HA3 -0.443 3.517 3.960 -0.000 0.000 0.334 763 G C 0.882 175.766 174.900 -0.028 0.000 1.250 763 G CA 1.029 46.104 45.100 -0.042 0.000 0.994 763 G HN 1.046 nan 8.290 nan 0.000 0.549 764 N N 1.226 119.903 118.700 -0.038 0.000 2.270 764 N HA 0.235 4.975 4.740 -0.000 0.000 0.198 764 N C 0.278 175.812 175.510 0.040 0.000 1.117 764 N CA 0.853 53.895 53.050 -0.015 0.000 0.845 764 N CB 0.802 39.259 38.487 -0.051 0.000 0.980 764 N HN 0.442 nan 8.380 nan 0.000 0.486 765 S N -0.432 115.301 115.700 0.055 0.000 2.422 765 S HA 0.452 4.922 4.470 -0.000 0.000 0.308 765 S C 1.118 175.789 174.600 0.117 0.000 1.097 765 S CA -0.731 57.565 58.200 0.159 0.000 1.099 765 S CB 0.943 64.225 63.200 0.136 0.000 0.976 765 S HN 0.292 nan 8.310 nan 0.000 0.471 766 G N 3.508 112.442 108.800 0.223 0.000 3.124 766 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.212 766 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.212 766 G C 0.739 175.520 174.900 -0.200 0.000 1.181 766 G CA -0.055 45.096 45.100 0.085 0.000 0.803 766 G HN 0.833 nan 8.290 nan 0.000 0.529 767 Y N 0.848 120.750 120.300 -0.663 0.000 2.070 767 Y HA -0.204 4.346 4.550 -0.000 0.000 0.280 767 Y C 2.397 178.018 175.900 -0.464 0.000 1.148 767 Y CA 1.848 59.252 58.100 -1.161 0.000 1.125 767 Y CB -0.277 37.382 38.460 -1.335 0.000 0.975 767 Y HN 0.175 nan 8.280 nan 0.000 0.492 768 L N 0.891 121.949 121.223 -0.275 0.000 1.971 768 L HA -0.180 4.160 4.340 -0.000 0.000 0.215 768 L C 2.535 179.258 176.870 -0.244 0.000 1.072 768 L CA 2.462 57.158 54.840 -0.241 0.000 0.758 768 L CB -1.627 40.371 42.059 -0.102 0.000 0.889 768 L HN 0.340 nan 8.230 nan 0.000 0.433 769 A N -1.824 120.884 122.820 -0.188 0.000 1.908 769 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 769 A C 2.246 179.702 177.584 -0.213 0.000 1.181 769 A CA 2.480 54.421 52.037 -0.160 0.000 0.627 769 A CB -1.284 17.653 19.000 -0.104 0.000 0.818 769 A HN 0.574 nan 8.150 nan 0.000 0.445 770 T N -1.224 113.158 114.554 -0.287 0.000 2.643 770 T HA -0.167 4.183 4.350 -0.000 0.000 0.264 770 T C 1.776 176.181 174.700 -0.491 0.000 1.045 770 T CA 1.923 63.799 62.100 -0.372 0.000 1.155 770 T CB -0.501 68.103 68.868 -0.440 0.000 0.863 770 T HN 0.541 nan 8.240 nan 0.000 0.420 771 Y N 1.472 121.490 120.300 -0.470 0.000 2.181 771 Y HA 0.014 4.564 4.550 -0.000 0.000 0.288 771 Y C 2.721 178.466 175.900 -0.259 0.000 1.146 771 Y CA 0.656 58.524 58.100 -0.387 0.000 1.164 771 Y CB -0.906 37.226 38.460 -0.546 0.000 0.982 771 Y HN 0.201 nan 8.280 nan 0.000 0.515 772 A N -0.577 122.155 122.820 -0.147 0.000 1.859 772 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 772 A C 2.517 180.033 177.584 -0.114 0.000 1.198 772 A CA 2.330 54.304 52.037 -0.105 0.000 0.629 772 A CB -1.471 17.467 19.000 -0.104 0.000 0.830 772 A HN 0.422 nan 8.150 nan 0.000 0.446 773 S N -0.788 114.823 115.700 -0.148 0.000 2.372 773 S HA -0.216 4.254 4.470 -0.000 0.000 0.227 773 S C 1.952 176.464 174.600 -0.146 0.000 1.044 773 S CA 1.887 60.003 58.200 -0.140 0.000 1.050 773 S CB -0.521 62.580 63.200 -0.165 0.000 0.901 773 S HN 0.541 nan 8.310 nan 0.000 0.447 774 L N 1.499 122.600 121.223 -0.203 0.000 2.093 774 L HA 0.200 4.540 4.340 -0.000 0.000 0.208 774 L C 2.497 179.294 176.870 -0.123 0.000 1.085 774 L CA 1.910 56.636 54.840 -0.191 0.000 0.755 774 L CB -1.027 40.862 42.059 -0.284 0.000 0.904 774 L HN 0.372 nan 8.230 nan 0.000 0.435 775 A N -1.118 121.643 122.820 -0.098 0.000 2.014 775 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 775 A C 1.852 179.409 177.584 -0.046 0.000 1.163 775 A CA 1.486 53.489 52.037 -0.057 0.000 0.652 775 A CB -0.697 18.283 19.000 -0.034 0.000 0.808 775 A HN 0.473 nan 8.150 nan 0.000 0.449 776 V N -4.583 115.300 119.914 -0.052 0.000 3.427 776 V HA 0.558 4.678 4.120 -0.000 0.000 0.305 776 V C 1.020 177.089 176.094 -0.041 0.000 1.412 776 V CA 0.334 62.612 62.300 -0.037 0.000 1.086 776 V CB -0.812 30.993 31.823 -0.030 0.000 0.964 776 V HN 1.352 nan 8.190 nan 0.000 0.439 777 G N 1.096 109.862 108.800 -0.056 0.000 2.338 777 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.296 777 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.296 777 G C 0.366 175.242 174.900 -0.041 0.000 1.040 777 G CA 0.380 45.449 45.100 -0.053 0.000 1.004 777 G HN 1.755 nan 8.290 nan 0.000 0.509 778 A N -0.665 122.123 122.820 -0.053 0.000 2.462 778 A HA 0.590 4.910 4.320 -0.000 0.000 0.243 778 A C 1.366 178.926 177.584 -0.039 0.000 1.076 778 A CA 1.201 53.210 52.037 -0.048 0.000 0.773 778 A CB 0.552 19.511 19.000 -0.069 0.000 1.010 778 A HN 0.776 nan 8.150 nan 0.000 0.493 779 Q N 1.416 121.198 119.800 -0.030 0.000 2.049 779 Q HA 0.017 4.357 4.340 -0.000 0.000 0.198 779 Q C 0.167 176.169 176.000 0.003 0.000 0.971 779 Q CA 1.995 57.800 55.803 0.004 0.000 0.833 779 Q CB -0.061 28.642 28.738 -0.057 0.000 0.896 779 Q HN 0.573 nan 8.270 nan 0.000 0.434 780 V N 0.171 120.037 119.914 -0.080 0.000 2.914 780 V HA 0.691 4.811 4.120 -0.000 0.000 0.314 780 V C -0.900 175.015 176.094 -0.298 0.000 1.084 780 V CA -0.297 61.886 62.300 -0.196 0.000 0.963 780 V CB 2.018 33.680 31.823 -0.267 0.000 1.025 780 V HN 0.309 nan 8.190 nan 0.000 0.432 781 S N 2.066 117.526 115.700 -0.401 0.000 2.614 781 S HA 0.683 5.153 4.470 -0.000 0.000 0.275 781 S C -1.602 172.789 174.600 -0.349 0.000 1.161 781 S CA -0.666 57.336 58.200 -0.331 0.000 0.969 781 S CB 0.968 64.057 63.200 -0.185 0.000 1.059 781 S HN 0.533 nan 8.310 nan 0.000 0.482 782 Y N 2.285 122.582 120.300 -0.006 0.000 2.331 782 Y HA 0.615 5.165 4.550 -0.000 0.000 0.338 782 Y C 0.460 176.358 175.900 -0.003 0.000 0.992 782 Y CA -1.083 57.017 58.100 0.000 0.000 1.121 782 Y CB 1.964 40.428 38.460 0.006 0.000 1.184 782 Y HN 0.764 nan 8.280 nan 0.000 0.469 783 V N 0.916 120.934 119.914 0.174 0.000 2.919 783 V HA 0.492 4.612 4.120 -0.000 0.000 0.316 783 V C -2.604 173.546 176.094 0.094 0.000 1.077 783 V CA -2.728 59.639 62.300 0.111 0.000 0.977 783 V CB 1.886 33.776 31.823 0.112 0.000 1.039 783 V HN 0.431 nan 8.190 nan 0.000 0.441 784 P HA -0.050 nan 4.420 nan 0.000 0.217 784 P C 1.168 178.495 177.300 0.044 0.000 1.150 784 P CA 1.304 64.433 63.100 0.049 0.000 0.832 784 P CB 0.206 31.930 31.700 0.039 0.000 0.787 785 E N -0.437 119.802 120.200 0.065 0.000 2.265 785 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 785 E C 1.692 178.310 176.600 0.030 0.000 0.996 785 E CA 1.008 57.432 56.400 0.040 0.000 0.832 785 E CB -0.399 29.328 29.700 0.046 0.000 0.756 785 E HN 0.456 nan 8.360 nan 0.000 0.491 786 E N -0.801 119.427 120.200 0.047 0.000 2.364 786 E HA 0.213 4.563 4.350 -0.000 0.000 0.203 786 E C 0.814 177.431 176.600 0.028 0.000 0.888 786 E CA 0.251 56.675 56.400 0.041 0.000 0.989 786 E CB 0.702 30.443 29.700 0.067 0.000 0.985 786 E HN 0.192 nan 8.360 nan 0.000 0.499 787 G N 1.650 110.466 108.800 0.028 0.000 2.782 787 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.228 787 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.228 787 G C -0.426 174.437 174.900 -0.062 0.000 1.372 787 G CA -0.420 44.672 45.100 -0.013 0.000 0.862 787 G HN 0.145 nan 8.290 nan 0.000 0.547 788 I N 1.603 122.085 120.570 -0.147 0.000 2.537 788 I HA 0.370 4.540 4.170 -0.000 0.000 0.276 788 I C 0.803 176.809 176.117 -0.186 0.000 1.063 788 I CA -0.256 60.860 61.300 -0.307 0.000 1.144 788 I CB 1.427 39.097 38.000 -0.549 0.000 1.252 788 I HN 0.774 nan 8.210 nan 0.000 0.480 789 S N 5.637 121.270 115.700 -0.111 0.000 2.548 789 S HA 0.320 4.790 4.470 -0.000 0.000 0.277 789 S C 1.194 175.758 174.600 -0.061 0.000 1.315 789 S CA -0.670 57.493 58.200 -0.062 0.000 1.050 789 S CB 1.260 64.444 63.200 -0.026 0.000 0.918 789 S HN 0.614 nan 8.310 nan 0.000 0.497 790 L N 1.601 122.797 121.223 -0.046 0.000 2.189 790 L HA -0.165 4.175 4.340 -0.000 0.000 0.214 790 L C 2.855 179.721 176.870 -0.008 0.000 1.097 790 L CA 1.829 56.650 54.840 -0.031 0.000 0.764 790 L CB -0.543 41.503 42.059 -0.021 0.000 0.900 790 L HN 0.894 nan 8.230 nan 0.000 0.436 791 E N -0.122 120.077 120.200 -0.003 0.000 2.047 791 E HA -0.288 4.062 4.350 -0.000 0.000 0.191 791 E C 2.148 178.767 176.600 0.031 0.000 0.987 791 E CA 1.244 57.652 56.400 0.013 0.000 0.799 791 E CB 0.100 29.805 29.700 0.010 0.000 0.752 791 E HN 0.314 nan 8.360 nan 0.000 0.449 792 Q N 1.046 120.866 119.800 0.033 0.000 2.061 792 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 792 Q C 2.172 178.240 176.000 0.113 0.000 0.984 792 Q CA 1.335 57.182 55.803 0.074 0.000 0.846 792 Q CB -0.534 28.258 28.738 0.089 0.000 0.902 792 Q HN 0.373 nan 8.270 nan 0.000 0.421 793 L N -0.421 120.842 121.223 0.068 0.000 2.042 793 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 793 L C 2.313 179.254 176.870 0.118 0.000 1.076 793 L CA 1.880 56.778 54.840 0.096 0.000 0.749 793 L CB -0.609 41.449 42.059 -0.000 0.000 0.893 793 L HN 0.338 nan 8.230 nan 0.000 0.432 794 S N -0.489 115.258 115.700 0.078 0.000 2.356 794 S HA -0.220 4.250 4.470 -0.000 0.000 0.223 794 S C 1.693 176.355 174.600 0.104 0.000 1.032 794 S CA 1.562 59.810 58.200 0.079 0.000 1.005 794 S CB -0.062 63.168 63.200 0.050 0.000 0.867 794 S HN 0.466 nan 8.310 nan 0.000 0.449 795 E N 0.486 120.744 120.200 0.097 0.000 2.051 795 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 795 E C 1.802 178.501 176.600 0.164 0.000 0.991 795 E CA 1.346 57.808 56.400 0.103 0.000 0.799 795 E CB -0.193 29.547 29.700 0.067 0.000 0.748 795 E HN 0.442 nan 8.360 nan 0.000 0.449 796 D N 0.679 121.193 120.400 0.190 0.000 2.133 796 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 796 D C 1.979 178.425 176.300 0.244 0.000 0.997 796 D CA 0.963 55.116 54.000 0.255 0.000 0.840 796 D CB -0.175 40.785 40.800 0.266 0.000 0.947 796 D HN 0.227 nan 8.370 nan 0.000 0.452 797 I N 0.860 121.570 120.570 0.234 0.000 2.394 797 I HA -0.188 3.982 4.170 -0.000 0.000 0.251 797 I C 2.321 178.612 176.117 0.290 0.000 1.136 797 I CA 0.842 62.320 61.300 0.295 0.000 1.425 797 I CB -0.132 38.011 38.000 0.239 0.000 1.079 797 I HN -0.084 nan 8.210 nan 0.000 0.425 798 E N 0.464 120.788 120.200 0.207 0.000 2.046 798 E HA -0.216 4.134 4.350 -0.000 0.000 0.190 798 E C 1.992 178.685 176.600 0.156 0.000 0.982 798 E CA 1.170 57.675 56.400 0.175 0.000 0.800 798 E CB -0.502 29.274 29.700 0.126 0.000 0.756 798 E HN 0.476 nan 8.360 nan 0.000 0.449 799 Y N 1.590 121.900 120.300 0.016 0.000 2.081 799 Y HA -0.256 4.294 4.550 -0.000 0.000 0.280 799 Y C 2.122 177.954 175.900 -0.113 0.000 1.163 799 Y CA 1.231 59.302 58.100 -0.048 0.000 1.135 799 Y CB -0.683 37.750 38.460 -0.045 0.000 0.970 799 Y HN -0.003 nan 8.280 nan 0.000 0.498 800 L N 0.738 121.754 121.223 -0.344 0.000 2.013 800 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 800 L C 2.731 179.242 176.870 -0.598 0.000 1.073 800 L CA 2.116 56.576 54.840 -0.634 0.000 0.753 800 L CB -1.918 39.892 42.059 -0.415 0.000 0.890 800 L HN 0.427 nan 8.230 nan 0.000 0.432 801 A N -1.287 121.423 122.820 -0.184 0.000 1.884 801 A HA -0.336 3.984 4.320 -0.000 0.000 0.219 801 A C 2.209 179.799 177.584 0.010 0.000 1.197 801 A CA 2.250 54.368 52.037 0.134 0.000 0.637 801 A CB -0.683 18.538 19.000 0.367 0.000 0.827 801 A HN 0.599 nan 8.150 nan 0.000 0.450 802 Q N -0.507 119.264 119.800 -0.049 0.000 2.084 802 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 802 Q C 2.521 178.409 176.000 -0.186 0.000 0.978 802 Q CA 1.716 57.475 55.803 -0.074 0.000 0.844 802 Q CB -0.223 28.491 28.738 -0.040 0.000 0.898 802 Q HN 0.695 nan 8.270 nan 0.000 0.426 803 S N 0.480 115.962 115.700 -0.364 0.000 2.368 803 S HA -0.205 4.265 4.470 -0.000 0.000 0.226 803 S C 1.576 175.880 174.600 -0.493 0.000 1.044 803 S CA 1.535 59.426 58.200 -0.515 0.000 1.062 803 S CB -0.472 62.232 63.200 -0.826 0.000 0.931 803 S HN 0.333 nan 8.310 nan 0.000 0.440 804 F N 1.648 121.395 119.950 -0.337 0.000 2.234 804 F HA -0.049 4.478 4.527 -0.000 0.000 0.299 804 F C 2.506 178.173 175.800 -0.222 0.000 1.087 804 F CA 0.761 58.593 58.000 -0.281 0.000 1.340 804 F CB -0.275 38.578 39.000 -0.245 0.000 1.031 804 F HN 0.262 nan 8.300 nan 0.000 0.500 805 E N 0.496 120.698 120.200 0.003 0.000 2.015 805 E HA -0.241 4.109 4.350 -0.000 0.000 0.191 805 E C 2.022 178.558 176.600 -0.107 0.000 0.991 805 E CA 1.105 57.489 56.400 -0.026 0.000 0.802 805 E CB -0.286 29.407 29.700 -0.012 0.000 0.759 805 E HN 0.283 nan 8.360 nan 0.000 0.447 806 K N 0.951 121.255 120.400 -0.159 0.000 2.152 806 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 806 K C 1.971 178.380 176.600 -0.319 0.000 1.048 806 K CA 1.145 57.312 56.287 -0.200 0.000 0.933 806 K CB -0.066 32.316 32.500 -0.197 0.000 0.721 806 K HN 0.096 nan 8.250 nan 0.000 0.447 807 A N 0.907 123.439 122.820 -0.481 0.000 2.119 807 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 807 A C 0.144 177.467 177.584 -0.435 0.000 1.153 807 A CA 1.063 52.571 52.037 -0.882 0.000 0.692 807 A CB -0.247 18.048 19.000 -1.174 0.000 0.799 807 A HN 0.568 nan 8.150 nan 0.000 0.458 808 E N -2.802 117.271 120.200 -0.211 0.000 3.509 808 E HA -0.270 4.080 4.350 -0.000 0.000 0.270 808 E C 1.005 177.579 176.600 -0.043 0.000 1.485 808 E CA 0.839 57.184 56.400 -0.093 0.000 2.150 808 E CB -1.594 28.062 29.700 -0.072 0.000 2.030 808 E HN 0.592 nan 8.360 nan 0.000 0.478 809 G N 0.392 109.191 108.800 -0.002 0.000 2.985 809 G HA2 0.103 4.063 3.960 -0.000 0.000 0.209 809 G HA3 0.103 4.063 3.960 -0.000 0.000 0.209 809 G C 0.595 175.548 174.900 0.089 0.000 1.165 809 G CA 0.256 45.377 45.100 0.036 0.000 0.776 809 G HN 0.122 nan 8.290 nan 0.000 0.541 810 R N -0.484 120.087 120.500 0.119 0.000 2.715 810 R HA 0.131 4.471 4.340 -0.000 0.000 0.266 810 R C 1.908 178.371 176.300 0.271 0.000 0.981 810 R CA 0.962 57.203 56.100 0.236 0.000 1.105 810 R CB 0.324 30.877 30.300 0.422 0.000 0.953 810 R HN 0.095 nan 8.270 nan 0.000 0.432 811 G N 1.325 110.234 108.800 0.182 0.000 2.572 811 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.216 811 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.216 811 G C 0.252 175.187 174.900 0.059 0.000 1.133 811 G CA 0.283 45.447 45.100 0.107 0.000 0.791 811 G HN 0.409 nan 8.290 nan 0.000 0.538 812 R N -0.468 120.013 120.500 -0.033 0.000 2.772 812 R HA 0.266 4.606 4.340 -0.000 0.000 0.358 812 R C -0.591 175.535 176.300 -0.290 0.000 1.143 812 R CA -0.328 55.690 56.100 -0.135 0.000 1.153 812 R CB -0.020 30.179 30.300 -0.167 0.000 1.329 812 R HN 0.264 nan 8.270 nan 0.000 0.615 813 F N 0.381 120.360 119.950 0.049 0.000 2.684 813 F HA 0.249 4.776 4.527 -0.000 0.000 0.298 813 F C 1.614 177.460 175.800 0.078 0.000 1.120 813 F CA -0.553 57.464 58.000 0.029 0.000 1.332 813 F CB 0.877 39.893 39.000 0.027 0.000 0.986 813 F HN 0.165 nan 8.300 nan 0.000 0.524 814 G N 1.113 110.045 108.800 0.221 0.000 2.554 814 G HA2 0.249 4.209 3.960 -0.000 0.000 0.238 814 G HA3 0.249 4.209 3.960 -0.000 0.000 0.238 814 G C -0.229 174.768 174.900 0.162 0.000 1.259 814 G CA -0.336 44.913 45.100 0.249 0.000 0.843 814 G HN -0.056 nan 8.290 nan 0.000 0.582 815 K N 0.854 121.372 120.400 0.198 0.000 2.371 815 K HA 0.470 4.790 4.320 -0.000 0.000 0.251 815 K C -0.603 176.072 176.600 0.126 0.000 0.934 815 K CA -0.587 55.739 56.287 0.065 0.000 0.798 815 K CB 2.583 35.019 32.500 -0.106 0.000 1.204 815 K HN 0.316 nan 8.250 nan 0.000 0.427 816 L N 3.077 124.341 121.223 0.068 0.000 2.334 816 L HA 0.598 4.938 4.340 -0.000 0.000 0.276 816 L C -0.173 176.713 176.870 0.026 0.000 1.014 816 L CA -0.986 53.905 54.840 0.085 0.000 0.815 816 L CB 1.421 43.512 42.059 0.054 0.000 1.268 816 L HN 0.443 nan 8.230 nan 0.000 0.428 817 I N 3.888 124.481 120.570 0.038 0.000 2.448 817 I HA 0.300 4.470 4.170 -0.000 0.000 0.281 817 I C -0.489 175.605 176.117 -0.037 0.000 1.027 817 I CA -0.338 60.940 61.300 -0.037 0.000 1.111 817 I CB 1.647 39.654 38.000 0.013 0.000 1.236 817 I HN 0.334 nan 8.210 nan 0.000 0.452 818 L N 6.619 127.788 121.223 -0.090 0.000 2.305 818 L HA 0.436 4.776 4.340 -0.000 0.000 0.281 818 L C 0.184 177.021 176.870 -0.055 0.000 1.085 818 L CA -0.289 54.511 54.840 -0.068 0.000 0.813 818 L CB 0.978 42.986 42.059 -0.085 0.000 1.157 818 L HN 0.489 nan 8.230 nan 0.000 0.436 819 K N 3.118 123.516 120.400 -0.004 0.000 2.640 819 K HA 0.268 4.588 4.320 -0.000 0.000 0.245 819 K C -0.912 175.707 176.600 0.032 0.000 0.962 819 K CA -0.341 55.992 56.287 0.076 0.000 0.896 819 K CB 1.691 34.284 32.500 0.155 0.000 1.147 819 K HN 0.549 nan 8.250 nan 0.000 0.445 820 S N 2.098 117.820 115.700 0.037 0.000 2.549 820 S HA -0.008 4.462 4.470 -0.000 0.000 0.286 820 S C 1.340 175.955 174.600 0.024 0.000 1.314 820 S CA 0.042 58.249 58.200 0.011 0.000 1.062 820 S CB 1.003 64.215 63.200 0.019 0.000 0.865 820 S HN 0.612 nan 8.310 nan 0.000 0.498 821 T N 3.564 118.123 114.554 0.009 0.000 2.652 821 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 821 T C 1.452 176.166 174.700 0.023 0.000 1.039 821 T CA 1.443 63.559 62.100 0.025 0.000 1.153 821 T CB -0.401 68.484 68.868 0.028 0.000 0.863 821 T HN 0.525 nan 8.240 nan 0.000 0.428 822 N N 1.462 120.170 118.700 0.014 0.000 2.635 822 N HA 0.103 4.843 4.740 -0.000 0.000 0.191 822 N C 1.481 177.000 175.510 0.015 0.000 1.155 822 N CA 0.483 53.539 53.050 0.010 0.000 0.927 822 N CB -0.415 38.072 38.487 -0.000 0.000 0.976 822 N HN 0.466 nan 8.380 nan 0.000 0.448 823 A N -0.807 122.030 122.820 0.028 0.000 2.209 823 A HA 0.115 4.435 4.320 -0.000 0.000 0.212 823 A C 0.786 178.367 177.584 -0.006 0.000 1.158 823 A CA 0.444 52.501 52.037 0.033 0.000 0.742 823 A CB 0.130 19.181 19.000 0.085 0.000 0.790 823 A HN 0.147 nan 8.150 nan 0.000 0.472 824 S N -1.697 113.999 115.700 -0.007 0.000 2.546 824 S HA 0.276 4.746 4.470 -0.000 0.000 0.303 824 S C -0.038 174.558 174.600 -0.006 0.000 1.067 824 S CA -0.580 57.606 58.200 -0.023 0.000 0.944 824 S CB 0.558 63.724 63.200 -0.056 0.000 1.155 824 S HN 0.280 nan 8.310 nan 0.000 0.449 825 K N 2.477 122.873 120.400 -0.006 0.000 2.305 825 K HA 0.153 4.473 4.320 -0.000 0.000 0.199 825 K C 1.976 178.578 176.600 0.003 0.000 1.047 825 K CA 1.038 57.326 56.287 0.002 0.000 0.976 825 K CB -0.020 32.480 32.500 -0.000 0.000 0.765 825 K HN 0.607 nan 8.250 nan 0.000 0.474 826 A N 0.941 123.757 122.820 -0.006 0.000 1.903 826 A HA 0.085 4.405 4.320 -0.000 0.000 0.213 826 A C 0.898 178.481 177.584 -0.001 0.000 1.185 826 A CA 0.544 52.577 52.037 -0.006 0.000 0.628 826 A CB 0.060 19.051 19.000 -0.016 0.000 0.830 826 A HN 0.108 nan 8.150 nan 0.000 0.446 827 L N 1.849 123.067 121.223 -0.009 0.000 2.276 827 L HA 0.317 4.657 4.340 -0.000 0.000 0.286 827 L C 0.315 177.201 176.870 0.026 0.000 1.024 827 L CA -0.635 54.205 54.840 0.000 0.000 0.826 827 L CB 1.560 43.601 42.059 -0.031 0.000 1.211 827 L HN 0.387 nan 8.230 nan 0.000 0.422 828 S N 1.992 117.727 115.700 0.058 0.000 2.652 828 S HA 0.480 4.950 4.470 -0.000 0.000 0.270 828 S C 1.271 175.933 174.600 0.103 0.000 1.243 828 S CA -0.105 58.159 58.200 0.106 0.000 0.999 828 S CB 1.803 65.098 63.200 0.159 0.000 0.973 828 S HN 0.631 nan 8.310 nan 0.000 0.544 829 A N 1.578 124.450 122.820 0.086 0.000 1.917 829 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 829 A C 2.214 179.836 177.584 0.063 0.000 1.182 829 A CA 2.372 54.393 52.037 -0.027 0.000 0.633 829 A CB -2.003 16.765 19.000 -0.386 0.000 0.819 829 A HN 0.905 nan 8.150 nan 0.000 0.448 830 T N -0.158 114.523 114.554 0.212 0.000 2.643 830 T HA -0.118 4.231 4.350 -0.000 0.000 0.264 830 T C 2.035 176.805 174.700 0.116 0.000 1.045 830 T CA 1.472 63.698 62.100 0.210 0.000 1.155 830 T CB -0.173 68.852 68.868 0.261 0.000 0.863 830 T HN 0.291 nan 8.240 nan 0.000 0.420 831 K N 0.744 121.203 120.400 0.099 0.000 2.097 831 K HA 0.040 4.360 4.320 -0.000 0.000 0.206 831 K C 2.223 178.850 176.600 0.045 0.000 1.049 831 K CA 0.680 57.001 56.287 0.058 0.000 0.933 831 K CB -0.823 31.704 32.500 0.045 0.000 0.717 831 K HN 0.173 nan 8.250 nan 0.000 0.442 832 L N 1.044 122.299 121.223 0.054 0.000 2.012 832 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 832 L C 2.282 179.188 176.870 0.059 0.000 1.073 832 L CA 2.034 56.907 54.840 0.054 0.000 0.748 832 L CB -1.109 40.996 42.059 0.076 0.000 0.891 832 L HN 0.159 nan 8.230 nan 0.000 0.431 833 A N -1.043 121.813 122.820 0.060 0.000 1.883 833 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 833 A C 2.169 179.759 177.584 0.011 0.000 1.186 833 A CA 1.955 54.017 52.037 0.042 0.000 0.624 833 A CB -0.634 18.390 19.000 0.039 0.000 0.822 833 A HN 0.577 nan 8.150 nan 0.000 0.444 834 E N -0.564 119.643 120.200 0.013 0.000 2.058 834 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 834 E C 2.045 178.633 176.600 -0.021 0.000 0.997 834 E CA 1.384 57.780 56.400 -0.007 0.000 0.801 834 E CB -0.326 29.378 29.700 0.005 0.000 0.746 834 E HN 0.405 nan 8.360 nan 0.000 0.450 835 V N 1.489 121.399 119.914 -0.006 0.000 2.261 835 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 835 V C 2.291 178.371 176.094 -0.024 0.000 1.047 835 V CA 1.635 63.928 62.300 -0.011 0.000 1.015 835 V CB -0.395 31.430 31.823 0.002 0.000 0.642 835 V HN 0.257 nan 8.190 nan 0.000 0.446 836 I N -0.046 120.524 120.570 0.000 0.000 2.151 836 I HA -0.299 3.871 4.170 -0.000 0.000 0.243 836 I C 2.549 178.572 176.117 -0.156 0.000 1.080 836 I CA 2.110 63.405 61.300 -0.007 0.000 1.339 836 I CB -0.781 37.282 38.000 0.105 0.000 1.039 836 I HN 0.331 nan 8.210 nan 0.000 0.409 837 T N 0.648 115.116 114.554 -0.142 0.000 2.759 837 T HA -0.198 4.152 4.350 -0.000 0.000 0.269 837 T C 1.956 176.528 174.700 -0.212 0.000 1.042 837 T CA 1.551 63.520 62.100 -0.218 0.000 1.140 837 T CB -0.293 68.491 68.868 -0.139 0.000 0.864 837 T HN 0.518 nan 8.240 nan 0.000 0.455 838 A N 1.212 123.951 122.820 -0.135 0.000 1.854 838 A HA -0.009 4.311 4.320 -0.000 0.000 0.214 838 A C 2.205 179.716 177.584 -0.121 0.000 1.192 838 A CA 1.581 53.552 52.037 -0.110 0.000 0.611 838 A CB -0.641 18.318 19.000 -0.068 0.000 0.832 838 A HN 0.398 nan 8.150 nan 0.000 0.442 839 E N 0.202 120.340 120.200 -0.104 0.000 2.160 839 E HA -0.121 4.229 4.350 -0.000 0.000 0.195 839 E C 2.020 178.534 176.600 -0.144 0.000 0.991 839 E CA 1.366 57.716 56.400 -0.084 0.000 0.810 839 E CB -0.413 29.266 29.700 -0.035 0.000 0.742 839 E HN 0.516 nan 8.360 nan 0.000 0.466 840 A N 0.603 123.239 122.820 -0.307 0.000 1.892 840 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 840 A C 1.006 178.408 177.584 -0.303 0.000 1.188 840 A CA 1.661 53.364 52.037 -0.557 0.000 0.631 840 A CB -0.339 17.967 19.000 -1.157 0.000 0.822 840 A HN 0.357 nan 8.150 nan 0.000 0.447 841 D N -3.410 116.846 120.400 -0.239 0.000 2.760 841 D HA -0.080 4.559 4.640 -0.000 0.000 0.244 841 D C 0.916 177.137 176.300 -0.132 0.000 1.096 841 D CA 1.900 55.814 54.000 -0.144 0.000 0.716 841 D CB -1.507 39.239 40.800 -0.090 0.000 1.075 841 D HN 1.538 nan 8.370 nan 0.000 0.434 842 G N 0.179 108.879 108.800 -0.166 0.000 2.304 842 G HA2 -0.472 3.488 3.960 -0.000 0.000 0.252 842 G HA3 -0.472 3.488 3.960 -0.000 0.000 0.252 842 G C 1.351 176.186 174.900 -0.109 0.000 1.014 842 G CA 0.894 45.918 45.100 -0.126 0.000 0.619 842 G HN 0.575 nan 8.290 nan 0.000 0.525 843 R N -0.278 120.163 120.500 -0.098 0.000 2.120 843 R HA 0.300 4.640 4.340 -0.000 0.000 0.234 843 R C 1.083 177.437 176.300 0.090 0.000 1.123 843 R CA 1.637 57.753 56.100 0.027 0.000 0.975 843 R CB -0.211 30.175 30.300 0.143 0.000 0.866 843 R HN 1.027 nan 8.270 nan 0.000 0.446 844 F N -1.684 118.162 119.950 -0.173 0.000 2.799 844 F HA 0.371 4.898 4.527 -0.000 0.000 0.316 844 F C -2.005 173.651 175.800 -0.239 0.000 1.155 844 F CA -1.836 55.957 58.000 -0.345 0.000 0.916 844 F CB 0.955 39.608 39.000 -0.578 0.000 1.294 844 F HN -0.152 nan 8.300 nan 0.000 0.447 845 D N 1.548 121.872 120.400 -0.127 0.000 2.687 845 D HA 0.832 5.472 4.640 -0.000 0.000 0.264 845 D C -1.504 174.778 176.300 -0.030 0.000 1.091 845 D CA -0.750 53.141 54.000 -0.181 0.000 1.123 845 D CB 1.611 42.308 40.800 -0.171 0.000 1.407 845 D HN 1.172 nan 8.370 nan 0.000 0.591 846 A N -0.517 122.252 122.820 -0.085 0.000 2.520 846 A HA 0.634 4.954 4.320 -0.000 0.000 0.298 846 A C -1.141 176.357 177.584 -0.144 0.000 1.051 846 A CA -0.878 51.112 52.037 -0.079 0.000 0.690 846 A CB 1.707 20.738 19.000 0.052 0.000 1.281 846 A HN 0.354 nan 8.150 nan 0.000 0.402 847 K N 1.487 121.723 120.400 -0.272 0.000 2.340 847 K HA 0.720 5.040 4.320 -0.000 0.000 0.244 847 K C -2.957 173.676 176.600 0.054 0.000 0.973 847 K CA -2.152 54.037 56.287 -0.164 0.000 0.828 847 K CB 2.215 34.541 32.500 -0.290 0.000 1.226 847 K HN 0.559 nan 8.250 nan 0.000 0.437 848 P HA 0.500 nan 4.420 nan 0.000 0.281 848 P C -1.422 176.028 177.300 0.250 0.000 1.264 848 P CA -0.718 62.475 63.100 0.155 0.000 0.824 848 P CB 1.355 33.163 31.700 0.181 0.000 1.092 849 A N 1.359 124.207 122.820 0.046 0.000 2.429 849 A HA 0.541 4.861 4.320 -0.000 0.000 0.289 849 A C -1.807 175.713 177.584 -0.108 0.000 1.043 849 A CA -0.402 51.711 52.037 0.128 0.000 0.722 849 A CB 0.661 19.768 19.000 0.178 0.000 1.243 849 A HN 0.426 nan 8.150 nan 0.000 0.415 850 Y N 3.894 124.273 120.300 0.132 0.000 2.915 850 Y HA 0.307 4.857 4.550 -0.000 0.000 0.350 850 Y C -1.260 174.602 175.900 -0.062 0.000 1.061 850 Y CA -1.710 56.404 58.100 0.024 0.000 1.179 850 Y CB 0.912 39.393 38.460 0.036 0.000 1.180 850 Y HN 0.653 nan 8.280 nan 0.000 0.605 851 P HA -0.175 nan 4.420 nan 0.000 0.218 851 P C 1.275 178.449 177.300 -0.210 0.000 1.146 851 P CA 1.811 64.534 63.100 -0.629 0.000 0.813 851 P CB 0.538 31.308 31.700 -1.551 0.000 0.778 852 G N 0.929 109.659 108.800 -0.116 0.000 2.622 852 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.307 852 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.307 852 G C 0.714 175.530 174.900 -0.140 0.000 1.226 852 G CA 0.972 46.036 45.100 -0.059 0.000 0.997 852 G HN 0.371 nan 8.290 nan 0.000 0.551 853 H N 0.977 120.025 119.070 -0.037 0.000 2.546 853 H HA 0.201 4.757 4.556 -0.000 0.000 0.277 853 H C 2.609 177.910 175.328 -0.045 0.000 1.004 853 H CA 1.355 57.380 56.048 -0.038 0.000 1.231 853 H CB -0.064 29.683 29.762 -0.025 0.000 1.382 853 H HN 0.644 nan 8.280 nan 0.000 0.580 854 V N -1.479 118.457 119.914 0.037 0.000 3.078 854 V HA -0.201 3.919 4.120 -0.000 0.000 0.265 854 V C 1.563 177.640 176.094 -0.028 0.000 1.122 854 V CA 1.224 63.533 62.300 0.016 0.000 1.141 854 V CB -0.388 31.451 31.823 0.027 0.000 0.735 854 V HN 0.402 nan 8.190 nan 0.000 0.498 855 Q N 0.325 120.077 119.800 -0.080 0.000 2.364 855 Q HA -0.169 4.171 4.340 -0.000 0.000 0.209 855 Q C 2.105 178.070 176.000 -0.059 0.000 0.977 855 Q CA 1.497 57.241 55.803 -0.099 0.000 0.885 855 Q CB -0.225 28.423 28.738 -0.149 0.000 0.941 855 Q HN 0.756 nan 8.270 nan 0.000 0.464 856 Q N -0.318 119.464 119.800 -0.029 0.000 2.451 856 Q HA 0.086 4.426 4.340 -0.000 0.000 0.206 856 Q C 0.699 176.690 176.000 -0.016 0.000 0.947 856 Q CA 0.247 56.039 55.803 -0.017 0.000 0.937 856 Q CB 0.405 29.152 28.738 0.015 0.000 1.025 856 Q HN 0.393 nan 8.270 nan 0.000 0.511 857 G N -0.484 108.309 108.800 -0.013 0.000 2.752 857 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.234 857 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.234 857 G C 0.260 175.152 174.900 -0.013 0.000 1.367 857 G CA -0.492 44.601 45.100 -0.011 0.000 0.879 857 G HN 0.392 nan 8.290 nan 0.000 0.563 858 G N -1.179 107.609 108.800 -0.019 0.000 2.583 858 G HA2 0.551 4.511 3.960 -0.000 0.000 0.214 858 G HA3 0.551 4.511 3.960 -0.000 0.000 0.214 858 G C 0.489 175.364 174.900 -0.043 0.000 2.072 858 G CA -0.195 44.889 45.100 -0.028 0.000 0.745 858 G HN 0.940 nan 8.290 nan 0.000 0.762 859 L N 3.615 124.807 121.223 -0.052 0.000 2.319 859 L HA 0.288 4.628 4.340 -0.000 0.000 0.280 859 L C -1.713 175.122 176.870 -0.058 0.000 1.099 859 L CA -1.544 53.256 54.840 -0.066 0.000 0.828 859 L CB 1.055 43.061 42.059 -0.088 0.000 1.150 859 L HN 0.258 nan 8.230 nan 0.000 0.442 860 P HA -0.005 nan 4.420 nan 0.000 0.267 860 P C -0.364 176.910 177.300 -0.043 0.000 1.200 860 P CA -0.280 62.796 63.100 -0.041 0.000 0.772 860 P CB 0.736 32.413 31.700 -0.038 0.000 0.855 861 S N 1.961 117.645 115.700 -0.027 0.000 2.592 861 S HA 0.242 4.712 4.470 -0.000 0.000 0.271 861 S C -1.691 172.886 174.600 -0.038 0.000 1.326 861 S CA -1.052 57.131 58.200 -0.029 0.000 1.024 861 S CB 0.424 63.617 63.200 -0.012 0.000 0.921 861 S HN 0.223 nan 8.310 nan 0.000 0.527 862 P HA -0.127 nan 4.420 nan 0.000 0.217 862 P C 1.326 178.596 177.300 -0.051 0.000 1.151 862 P CA 1.198 64.264 63.100 -0.058 0.000 0.849 862 P CB -0.044 31.631 31.700 -0.042 0.000 0.787 863 I N -0.595 119.943 120.570 -0.053 0.000 2.113 863 I HA -0.241 3.929 4.170 -0.000 0.000 0.238 863 I C 2.041 178.104 176.117 -0.090 0.000 1.070 863 I CA 1.619 62.837 61.300 -0.136 0.000 1.332 863 I CB -0.709 37.099 38.000 -0.320 0.000 1.044 863 I HN -0.082 nan 8.210 nan 0.000 0.402 864 D N 0.494 120.879 120.400 -0.025 0.000 2.158 864 D HA -0.190 4.450 4.640 -0.000 0.000 0.197 864 D C 2.320 178.634 176.300 0.022 0.000 0.995 864 D CA 1.279 55.308 54.000 0.049 0.000 0.846 864 D CB -0.091 40.746 40.800 0.061 0.000 0.941 864 D HN 0.237 nan 8.370 nan 0.000 0.456 865 R N -0.298 120.193 120.500 -0.014 0.000 2.055 865 R HA -0.087 4.253 4.340 -0.000 0.000 0.228 865 R C 2.532 178.826 176.300 -0.011 0.000 1.143 865 R CA 1.865 57.955 56.100 -0.016 0.000 0.945 865 R CB -0.548 29.723 30.300 -0.048 0.000 0.841 865 R HN 0.280 nan 8.270 nan 0.000 0.429 866 T N -0.866 113.656 114.554 -0.054 0.000 2.720 866 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 866 T C 1.949 176.669 174.700 0.033 0.000 1.037 866 T CA 1.361 63.423 62.100 -0.064 0.000 1.144 866 T CB -0.238 68.499 68.868 -0.217 0.000 0.864 866 T HN 0.058 nan 8.240 nan 0.000 0.444 867 R N 1.888 122.400 120.500 0.020 0.000 2.148 867 R HA 0.284 4.624 4.340 -0.000 0.000 0.227 867 R C 2.458 178.792 176.300 0.057 0.000 1.103 867 R CA 1.297 57.418 56.100 0.035 0.000 0.983 867 R CB -1.128 29.145 30.300 -0.045 0.000 0.874 867 R HN 0.557 nan 8.270 nan 0.000 0.451 868 A N -0.799 122.057 122.820 0.059 0.000 1.855 868 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 868 A C 2.247 179.866 177.584 0.060 0.000 1.191 868 A CA 1.995 54.069 52.037 0.061 0.000 0.613 868 A CB -1.332 17.704 19.000 0.060 0.000 0.829 868 A HN 0.530 nan 8.150 nan 0.000 0.442 869 T N -1.671 112.927 114.554 0.073 0.000 2.929 869 T HA -0.174 4.176 4.350 -0.000 0.000 0.271 869 T C 1.949 176.670 174.700 0.034 0.000 1.085 869 T CA 1.622 63.768 62.100 0.075 0.000 1.125 869 T CB -0.349 68.588 68.868 0.115 0.000 0.874 869 T HN 0.513 nan 8.240 nan 0.000 0.494 870 R N -0.535 119.992 120.500 0.045 0.000 2.062 870 R HA 0.036 4.376 4.340 -0.000 0.000 0.229 870 R C 2.422 178.707 176.300 -0.024 0.000 1.128 870 R CA 1.237 57.341 56.100 0.007 0.000 0.960 870 R CB -0.190 30.124 30.300 0.024 0.000 0.855 870 R HN 0.332 nan 8.270 nan 0.000 0.432 871 M N 0.380 119.977 119.600 -0.005 0.000 2.159 871 M HA -0.044 4.436 4.480 -0.000 0.000 0.263 871 M C 2.391 178.682 176.300 -0.015 0.000 1.063 871 M CA 1.573 56.861 55.300 -0.020 0.000 1.110 871 M CB -1.185 31.412 32.600 -0.005 0.000 1.374 871 M HN 0.252 nan 8.290 nan 0.000 0.411 872 A N 0.611 123.431 122.820 0.000 0.000 1.865 872 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 872 A C 2.325 179.902 177.584 -0.013 0.000 1.191 872 A CA 1.611 53.657 52.037 0.014 0.000 0.623 872 A CB -0.913 18.110 19.000 0.038 0.000 0.826 872 A HN 0.443 nan 8.150 nan 0.000 0.444 873 I N -0.762 119.742 120.570 -0.111 0.000 2.226 873 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 873 I C 2.334 178.366 176.117 -0.143 0.000 1.100 873 I CA 1.499 62.607 61.300 -0.319 0.000 1.374 873 I CB -0.214 37.431 38.000 -0.592 0.000 1.057 873 I HN 0.262 nan 8.210 nan 0.000 0.413 874 K N 0.557 120.927 120.400 -0.050 0.000 2.442 874 K HA -0.057 4.263 4.320 -0.000 0.000 0.198 874 K C 1.965 178.672 176.600 0.179 0.000 1.042 874 K CA 0.900 57.230 56.287 0.071 0.000 0.958 874 K CB 0.009 32.542 32.500 0.056 0.000 0.766 874 K HN 0.332 nan 8.250 nan 0.000 0.474 875 A N 0.358 123.252 122.820 0.124 0.000 1.911 875 A HA -0.029 4.291 4.320 -0.000 0.000 0.212 875 A C 2.176 179.901 177.584 0.234 0.000 1.189 875 A CA 0.546 52.692 52.037 0.181 0.000 0.639 875 A CB -0.261 18.794 19.000 0.091 0.000 0.839 875 A HN 0.039 nan 8.150 nan 0.000 0.449 876 V N 0.264 120.289 119.914 0.184 0.000 2.332 876 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 876 V C 2.814 179.038 176.094 0.216 0.000 1.055 876 V CA 2.097 64.515 62.300 0.196 0.000 1.038 876 V CB -1.307 30.728 31.823 0.353 0.000 0.651 876 V HN 0.602 nan 8.190 nan 0.000 0.450 877 G N -1.112 107.840 108.800 0.254 0.000 2.442 877 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.219 877 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.219 877 G C 1.563 176.586 174.900 0.206 0.000 1.141 877 G CA 1.080 46.319 45.100 0.231 0.000 0.763 877 G HN 0.516 nan 8.290 nan 0.000 0.554 878 F N 0.967 120.992 119.950 0.125 0.000 2.186 878 F HA 0.012 4.539 4.527 -0.000 0.000 0.299 878 F C 2.361 178.192 175.800 0.053 0.000 1.090 878 F CA 0.648 58.701 58.000 0.088 0.000 1.307 878 F CB 0.029 39.169 39.000 0.234 0.000 1.019 878 F HN -0.003 nan 8.300 nan 0.000 0.489 879 I N 1.782 122.441 120.570 0.148 0.000 2.142 879 I HA -0.315 3.855 4.170 -0.000 0.000 0.240 879 I C 2.455 178.522 176.117 -0.082 0.000 1.078 879 I CA 2.038 63.347 61.300 0.016 0.000 1.343 879 I CB -1.311 36.713 38.000 0.040 0.000 1.046 879 I HN 0.292 nan 8.210 nan 0.000 0.405 880 K N 0.324 120.703 120.400 -0.035 0.000 2.026 880 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 880 K C 1.317 177.885 176.600 -0.053 0.000 1.048 880 K CA 1.697 57.979 56.287 -0.008 0.000 0.929 880 K CB -0.536 32.018 32.500 0.091 0.000 0.713 880 K HN 0.171 nan 8.250 nan 0.000 0.439 881 D N 0.946 121.292 120.400 -0.089 0.000 2.378 881 D HA -0.070 4.570 4.640 -0.000 0.000 0.222 881 D C 0.207 176.363 176.300 -0.239 0.000 0.980 881 D CA 0.833 54.750 54.000 -0.138 0.000 0.907 881 D CB -0.134 40.587 40.800 -0.133 0.000 0.899 881 D HN 0.347 nan 8.370 nan 0.000 0.527 882 N N -0.300 118.206 118.700 -0.324 0.000 2.291 882 N HA 0.052 4.792 4.740 -0.000 0.000 0.244 882 N C 1.267 176.669 175.510 -0.180 0.000 1.216 882 N CA -0.145 52.699 53.050 -0.344 0.000 0.879 882 N CB 0.733 38.827 38.487 -0.655 0.000 1.167 882 N HN -0.104 nan 8.380 nan 0.000 0.515 883 Q N 0.489 120.223 119.800 -0.111 0.000 2.096 883 Q HA 0.114 4.454 4.340 -0.000 0.000 0.197 883 Q C 1.912 177.892 176.000 -0.033 0.000 0.964 883 Q CA 0.918 56.692 55.803 -0.049 0.000 0.838 883 Q CB -0.359 28.367 28.738 -0.020 0.000 0.906 883 Q HN 0.421 nan 8.270 nan 0.000 0.444 884 A N 1.776 124.574 122.820 -0.038 0.000 1.912 884 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 884 A C 2.156 179.733 177.584 -0.012 0.000 1.309 884 A CA 2.913 54.937 52.037 -0.022 0.000 0.726 884 A CB -1.505 17.478 19.000 -0.028 0.000 0.840 884 A HN 0.405 nan 8.150 nan 0.000 0.473 885 A N 0.026 122.834 122.820 -0.021 0.000 2.292 885 A HA -0.253 4.067 4.320 -0.000 0.000 0.215 885 A C 1.900 179.492 177.584 0.014 0.000 1.339 885 A CA 3.254 55.288 52.037 -0.005 0.000 0.895 885 A CB -1.505 17.486 19.000 -0.016 0.000 0.795 885 A HN 1.405 nan 8.150 nan 0.000 0.529 886 I N -0.929 119.650 120.570 0.014 0.000 2.597 886 I HA -0.140 4.030 4.170 -0.000 0.000 0.262 886 I C 2.215 178.357 176.117 0.042 0.000 1.194 886 I CA 1.344 62.666 61.300 0.037 0.000 1.437 886 I CB -1.686 36.341 38.000 0.046 0.000 1.096 886 I HN 0.337 nan 8.210 nan 0.000 0.451 887 A N 2.053 124.890 122.820 0.029 0.000 1.835 887 A HA -0.126 4.194 4.320 -0.000 0.000 0.213 887 A C 2.144 179.749 177.584 0.035 0.000 1.210 887 A CA 1.273 53.328 52.037 0.029 0.000 0.605 887 A CB -1.007 18.004 19.000 0.018 0.000 0.860 887 A HN 0.583 nan 8.150 nan 0.000 0.447 888 E N 0.436 120.657 120.200 0.036 0.000 2.501 888 E HA 0.124 4.474 4.350 -0.000 0.000 0.203 888 E C 1.021 177.673 176.600 0.085 0.000 1.072 888 E CA 1.406 57.835 56.400 0.048 0.000 0.885 888 E CB -0.372 29.355 29.700 0.045 0.000 0.813 888 E HN 0.452 nan 8.360 nan 0.000 0.556 889 A N 0.426 123.299 122.820 0.089 0.000 2.074 889 A HA 0.212 4.532 4.320 -0.000 0.000 0.200 889 A C 1.831 179.479 177.584 0.106 0.000 1.335 889 A CA -0.060 52.060 52.037 0.140 0.000 0.922 889 A CB -0.018 19.052 19.000 0.116 0.000 0.972 889 A HN 0.086 nan 8.150 nan 0.000 0.475 890 R N 0.964 121.505 120.500 0.068 0.000 2.387 890 R HA 0.074 4.414 4.340 -0.000 0.000 0.203 890 R C 1.108 177.424 176.300 0.027 0.000 1.121 890 R CA 0.500 56.630 56.100 0.051 0.000 1.129 890 R CB -0.797 29.531 30.300 0.046 0.000 0.905 890 R HN 0.567 nan 8.270 nan 0.000 0.477 891 A N 0.929 123.761 122.820 0.020 0.000 2.845 891 A HA 0.272 4.592 4.320 -0.000 0.000 0.232 891 A C 0.434 177.994 177.584 -0.039 0.000 1.378 891 A CA 0.530 52.549 52.037 -0.029 0.000 1.130 891 A CB -0.674 18.276 19.000 -0.083 0.000 1.412 891 A HN 0.419 nan 8.150 nan 0.000 0.673 892 A N -0.421 122.349 122.820 -0.083 0.000 2.511 892 A HA 0.410 4.730 4.320 -0.000 0.000 0.242 892 A C 0.539 178.101 177.584 -0.037 0.000 1.069 892 A CA 0.366 52.360 52.037 -0.071 0.000 0.763 892 A CB -0.327 18.610 19.000 -0.105 0.000 1.001 892 A HN 0.803 nan 8.150 nan 0.000 0.498 893 E N 2.094 122.280 120.200 -0.024 0.000 2.565 893 E HA -0.018 4.332 4.350 -0.000 0.000 0.212 893 E C -0.013 176.593 176.600 0.010 0.000 1.341 893 E CA 0.390 56.787 56.400 -0.005 0.000 1.236 893 E CB -0.528 29.157 29.700 -0.026 0.000 1.246 893 E HN 0.555 nan 8.360 nan 0.000 0.446 894 E N 0.688 120.900 120.200 0.020 0.000 2.620 894 E HA 0.097 4.447 4.350 -0.000 0.000 0.255 894 E C 0.600 177.277 176.600 0.129 0.000 1.346 894 E CA -0.496 55.933 56.400 0.049 0.000 1.013 894 E CB 0.091 29.797 29.700 0.011 0.000 1.131 894 E HN 0.162 nan 8.360 nan 0.000 0.608 895 N N 0.292 119.085 118.700 0.155 0.000 2.668 895 N HA -0.080 4.660 4.740 -0.000 0.000 0.201 895 N C 0.237 175.869 175.510 0.203 0.000 1.408 895 N CA 0.258 53.396 53.050 0.146 0.000 0.905 895 N CB -0.191 38.361 38.487 0.107 0.000 1.093 895 N HN 0.233 nan 8.380 nan 0.000 0.453 896 F N 0.138 120.086 119.950 -0.003 0.000 2.765 896 F HA 0.152 4.679 4.527 -0.000 0.000 0.302 896 F C 0.790 176.592 175.800 0.003 0.000 1.111 896 F CA -0.356 57.644 58.000 0.000 0.000 1.359 896 F CB 0.033 39.033 39.000 -0.001 0.000 1.097 896 F HN -0.099 nan 8.300 nan 0.000 0.577 897 N N 0.511 119.291 118.700 0.134 0.000 2.407 897 N HA 0.630 5.370 4.740 -0.000 0.000 0.277 897 N C -0.584 174.949 175.510 0.038 0.000 0.995 897 N CA -0.010 53.086 53.050 0.076 0.000 0.903 897 N CB 1.044 39.576 38.487 0.074 0.000 1.218 897 N HN 0.074 nan 8.380 nan 0.000 0.487 898 A N 2.278 125.109 122.820 0.019 0.000 3.502 898 A HA 0.542 4.861 4.320 -0.000 0.000 0.264 898 A C -1.409 176.180 177.584 0.008 0.000 1.099 898 A CA -0.503 51.538 52.037 0.006 0.000 0.690 898 A CB 0.592 19.584 19.000 -0.013 0.000 1.449 898 A HN 0.568 nan 8.150 nan 0.000 0.700 899 D N 1.902 122.305 120.400 0.004 0.000 2.683 899 D HA 0.279 4.918 4.640 -0.000 0.000 0.309 899 D C -1.379 174.928 176.300 0.011 0.000 1.238 899 D CA -0.101 53.903 54.000 0.007 0.000 0.936 899 D CB 0.278 41.081 40.800 0.006 0.000 1.001 899 D HN 0.484 nan 8.370 nan 0.000 0.505 900 D N -0.400 120.007 120.400 0.011 0.000 2.256 900 D HA 0.147 4.787 4.640 -0.000 0.000 0.240 900 D C 0.972 177.287 176.300 0.025 0.000 1.062 900 D CA -0.586 53.421 54.000 0.013 0.000 0.832 900 D CB 2.253 43.052 40.800 -0.002 0.000 1.135 900 D HN -0.119 nan 8.370 nan 0.000 0.484 901 K N 0.678 121.099 120.400 0.034 0.000 2.148 901 K HA -0.265 4.055 4.320 -0.000 0.000 0.213 901 K C 1.948 178.574 176.600 0.045 0.000 1.050 901 K CA 2.600 58.916 56.287 0.047 0.000 0.932 901 K CB -0.565 31.966 32.500 0.052 0.000 0.717 901 K HN 0.676 nan 8.250 nan 0.000 0.462 902 T N 0.117 114.689 114.554 0.031 0.000 2.849 902 T HA -0.143 4.207 4.350 -0.000 0.000 0.270 902 T C 1.926 176.642 174.700 0.027 0.000 1.066 902 T CA 1.565 63.680 62.100 0.024 0.000 1.130 902 T CB -0.471 68.403 68.868 0.011 0.000 0.864 902 T HN 0.319 nan 8.240 nan 0.000 0.481 903 I N 1.298 121.885 120.570 0.030 0.000 2.927 903 I HA 0.226 4.396 4.170 -0.000 0.000 0.268 903 I C 2.559 178.706 176.117 0.050 0.000 1.153 903 I CA 0.665 61.986 61.300 0.036 0.000 1.459 903 I CB -1.001 37.019 38.000 0.034 0.000 1.149 903 I HN 0.253 nan 8.210 nan 0.000 0.443 904 S N 1.124 116.852 115.700 0.047 0.000 2.368 904 S HA -0.185 4.285 4.470 -0.000 0.000 0.224 904 S C 1.377 176.028 174.600 0.086 0.000 1.029 904 S CA 1.377 59.607 58.200 0.050 0.000 0.988 904 S CB -1.024 62.199 63.200 0.038 0.000 0.838 904 S HN 0.443 nan 8.310 nan 0.000 0.462 905 D N 1.832 122.291 120.400 0.098 0.000 2.387 905 D HA 0.047 4.687 4.640 -0.000 0.000 0.257 905 D C 1.214 177.652 176.300 0.230 0.000 1.198 905 D CA 1.135 55.225 54.000 0.150 0.000 0.945 905 D CB -0.391 40.483 40.800 0.124 0.000 0.907 905 D HN 0.798 nan 8.370 nan 0.000 0.518 906 T N -3.731 110.944 114.554 0.203 0.000 3.044 906 T HA 0.430 4.780 4.350 -0.000 0.000 0.260 906 T C 0.809 175.744 174.700 0.392 0.000 1.019 906 T CA -0.467 61.772 62.100 0.231 0.000 0.921 906 T CB 0.647 69.549 68.868 0.057 0.000 1.053 906 T HN 0.061 nan 8.240 nan 0.000 0.533 907 A N 1.131 124.117 122.820 0.276 0.000 2.644 907 A HA 0.895 5.215 4.320 -0.000 0.000 0.343 907 A C 0.172 177.828 177.584 0.119 0.000 1.324 907 A CA -0.614 51.529 52.037 0.178 0.000 0.846 907 A CB -0.140 18.901 19.000 0.068 0.000 1.128 907 A HN 0.694 nan 8.150 nan 0.000 0.484 908 A N 0.971 123.830 122.820 0.065 0.000 2.486 908 A HA 0.834 5.154 4.320 -0.000 0.000 0.289 908 A C -0.928 176.581 177.584 -0.124 0.000 1.176 908 A CA -0.548 51.462 52.037 -0.046 0.000 0.757 908 A CB 1.235 20.194 19.000 -0.068 0.000 1.337 908 A HN 0.830 nan 8.150 nan 0.000 0.423 909 V N 1.154 121.027 119.914 -0.067 0.000 2.370 909 V HA 0.345 4.465 4.120 -0.000 0.000 0.283 909 V C -0.211 175.772 176.094 -0.186 0.000 1.023 909 V CA -0.549 61.715 62.300 -0.060 0.000 0.857 909 V CB 1.329 33.197 31.823 0.077 0.000 0.985 909 V HN 0.603 nan 8.190 nan 0.000 0.443 910 V N 5.107 124.865 119.914 -0.260 0.000 2.446 910 V HA 0.520 4.640 4.120 -0.000 0.000 0.276 910 V C 0.988 176.921 176.094 -0.270 0.000 1.030 910 V CA 0.366 62.414 62.300 -0.421 0.000 1.033 910 V CB 0.252 31.871 31.823 -0.340 0.000 0.993 910 V HN 0.959 nan 8.190 nan 0.000 0.477 911 G N 3.459 112.091 108.800 -0.280 0.000 2.887 911 G HA2 0.748 4.708 3.960 -0.000 0.000 0.277 911 G HA3 0.748 4.708 3.960 -0.000 0.000 0.277 911 G C -1.179 173.645 174.900 -0.126 0.000 1.346 911 G CA -0.748 44.264 45.100 -0.147 0.000 1.058 911 G HN 0.592 nan 8.290 nan 0.000 0.535 912 V N -0.110 119.772 119.914 -0.055 0.000 2.817 912 V HA 0.429 4.549 4.120 -0.000 0.000 0.303 912 V C -0.899 175.199 176.094 0.007 0.000 1.151 912 V CA -0.840 61.456 62.300 -0.007 0.000 0.929 912 V CB 2.186 34.016 31.823 0.013 0.000 1.030 912 V HN 0.681 nan 8.190 nan 0.000 0.427 913 K N 3.077 123.513 120.400 0.060 0.000 2.530 913 K HA 0.553 4.873 4.320 -0.000 0.000 0.230 913 K C 0.463 177.058 176.600 -0.007 0.000 1.002 913 K CA -0.067 56.222 56.287 0.003 0.000 1.014 913 K CB 1.514 34.015 32.500 0.002 0.000 1.286 913 K HN 1.167 nan 8.250 nan 0.000 0.480 914 G N 2.402 111.198 108.800 -0.006 0.000 2.342 914 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.267 914 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.267 914 G C 0.260 175.183 174.900 0.039 0.000 0.922 914 G CA 0.785 45.888 45.100 0.004 0.000 1.342 914 G HN 0.723 nan 8.290 nan 0.000 0.430 915 S N -0.742 114.986 115.700 0.047 0.000 3.402 915 S HA -0.328 4.142 4.470 -0.000 0.000 0.329 915 S C 1.420 176.101 174.600 0.136 0.000 1.194 915 S CA 2.309 60.548 58.200 0.064 0.000 0.951 915 S CB -1.090 62.151 63.200 0.069 0.000 0.975 915 S HN 1.434 nan 8.310 nan 0.000 0.574 916 H N 0.302 119.366 119.070 -0.009 0.000 2.276 916 H HA 0.583 5.139 4.556 -0.000 0.000 0.324 916 H C 0.803 176.124 175.328 -0.011 0.000 1.093 916 H CA 1.587 57.634 56.048 -0.002 0.000 1.539 916 H CB 0.180 29.943 29.762 0.002 0.000 1.479 916 H HN 0.762 nan 8.280 nan 0.000 0.582 917 V N 0.211 120.144 119.914 0.032 0.000 3.019 917 V HA -0.091 4.029 4.120 -0.000 0.000 0.437 917 V C -0.970 175.041 176.094 -0.139 0.000 0.682 917 V CA 0.154 62.383 62.300 -0.118 0.000 1.970 917 V CB -1.673 30.069 31.823 -0.134 0.000 2.457 917 V HN 0.272 nan 8.190 nan 0.000 0.489 918 V N 5.088 124.897 119.914 -0.175 0.000 3.158 918 V HA 0.851 4.970 4.120 -0.000 0.000 0.315 918 V C -0.909 175.020 176.094 -0.276 0.000 1.148 918 V CA -1.082 61.189 62.300 -0.047 0.000 1.042 918 V CB 2.533 34.382 31.823 0.042 0.000 1.101 918 V HN 0.700 nan 8.190 nan 0.000 0.448 919 Y N 0.281 120.581 120.300 0.000 0.000 2.433 919 Y HA 0.629 5.179 4.550 -0.000 0.000 0.337 919 Y C -0.376 175.527 175.900 0.006 0.000 1.026 919 Y CA -0.886 57.186 58.100 -0.046 0.000 1.037 919 Y CB 2.046 40.489 38.460 -0.028 0.000 1.245 919 Y HN 0.633 nan 8.280 nan 0.000 0.443 920 N N 0.306 119.080 118.700 0.124 0.000 2.336 920 N HA 0.386 5.126 4.740 -0.000 0.000 0.290 920 N C -1.215 174.365 175.510 0.117 0.000 1.058 920 N CA -0.940 52.188 53.050 0.129 0.000 0.865 920 N CB 1.785 40.343 38.487 0.118 0.000 1.581 920 N HN 0.530 nan 8.380 nan 0.000 0.480 921 S N 0.811 116.588 115.700 0.129 0.000 2.552 921 S HA -0.001 4.469 4.470 -0.000 0.000 0.289 921 S C 1.356 176.008 174.600 0.087 0.000 1.304 921 S CA -0.535 57.730 58.200 0.109 0.000 1.063 921 S CB 0.357 63.621 63.200 0.107 0.000 0.848 921 S HN 0.595 nan 8.310 nan 0.000 0.499 922 I N 2.523 123.115 120.570 0.036 0.000 2.335 922 I HA -0.144 4.026 4.170 -0.000 0.000 0.251 922 I C 2.383 178.504 176.117 0.007 0.000 1.129 922 I CA 1.335 62.614 61.300 -0.035 0.000 1.402 922 I CB -0.496 37.417 38.000 -0.145 0.000 1.069 922 I HN 0.743 nan 8.210 nan 0.000 0.424 923 R N -0.090 120.418 120.500 0.013 0.000 2.081 923 R HA -0.201 4.139 4.340 -0.000 0.000 0.235 923 R C 2.232 178.547 176.300 0.025 0.000 1.131 923 R CA 1.606 57.714 56.100 0.013 0.000 0.960 923 R CB -0.595 29.701 30.300 -0.005 0.000 0.856 923 R HN 0.467 nan 8.270 nan 0.000 0.436 924 Q N 1.080 120.930 119.800 0.084 0.000 1.993 924 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 924 Q C 1.940 178.037 176.000 0.161 0.000 0.984 924 Q CA 1.599 57.491 55.803 0.148 0.000 0.837 924 Q CB -0.392 28.456 28.738 0.182 0.000 0.902 924 Q HN 0.105 nan 8.270 nan 0.000 0.423 925 L N -0.468 120.871 121.223 0.194 0.000 1.970 925 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 925 L C 2.367 179.406 176.870 0.280 0.000 1.071 925 L CA 2.018 57.022 54.840 0.273 0.000 0.751 925 L CB -1.557 40.754 42.059 0.420 0.000 0.889 925 L HN 0.369 nan 8.230 nan 0.000 0.432 926 Y N 0.262 120.629 120.300 0.112 0.000 2.256 926 Y HA -0.258 4.292 4.550 -0.000 0.000 0.288 926 Y C 2.211 178.082 175.900 -0.049 0.000 1.155 926 Y CA 1.744 59.851 58.100 0.011 0.000 1.203 926 Y CB 0.087 38.417 38.460 -0.218 0.000 0.980 926 Y HN 0.309 nan 8.280 nan 0.000 0.530 927 D N -2.354 118.054 120.400 0.014 0.000 2.327 927 D HA -0.043 4.596 4.640 -0.000 0.000 0.205 927 D C 0.842 176.909 176.300 -0.389 0.000 0.989 927 D CA 1.111 54.947 54.000 -0.273 0.000 0.873 927 D CB 0.103 40.549 40.800 -0.589 0.000 0.955 927 D HN 0.486 nan 8.370 nan 0.000 0.515 928 Y N 0.064 120.426 120.300 0.104 0.000 2.441 928 Y HA 0.253 4.803 4.550 -0.000 0.000 0.266 928 Y C 1.426 177.361 175.900 0.058 0.000 1.093 928 Y CA -0.200 57.943 58.100 0.072 0.000 1.246 928 Y CB 1.083 39.584 38.460 0.068 0.000 1.262 928 Y HN -0.197 nan 8.280 nan 0.000 0.518 929 E N 0.340 120.661 120.200 0.202 0.000 2.548 929 E HA 0.180 4.530 4.350 -0.000 0.000 0.206 929 E C -0.334 176.318 176.600 0.088 0.000 1.005 929 E CA 0.099 56.580 56.400 0.134 0.000 0.951 929 E CB 0.943 30.726 29.700 0.137 0.000 1.035 929 E HN 0.043 nan 8.360 nan 0.000 0.470 930 T N 0.828 115.427 114.554 0.075 0.000 2.885 930 T HA 0.241 4.591 4.350 -0.000 0.000 0.285 930 T C -0.144 174.549 174.700 -0.013 0.000 1.019 930 T CA -0.608 61.516 62.100 0.040 0.000 1.010 930 T CB 1.849 70.756 68.868 0.065 0.000 1.022 930 T HN -0.074 nan 8.240 nan 0.000 0.466 931 E N 2.197 122.377 120.200 -0.034 0.000 2.830 931 E HA 0.241 4.591 4.350 -0.000 0.000 0.225 931 E C 1.279 177.827 176.600 -0.086 0.000 1.109 931 E CA -0.310 56.055 56.400 -0.059 0.000 1.392 931 E CB -0.458 29.200 29.700 -0.070 0.000 1.349 931 E HN 0.390 nan 8.360 nan 0.000 0.433 932 V N 0.733 120.619 119.914 -0.047 0.000 2.352 932 V HA -0.372 3.748 4.120 -0.000 0.000 0.263 932 V C 1.926 178.009 176.094 -0.017 0.000 1.103 932 V CA 2.939 65.262 62.300 0.038 0.000 1.099 932 V CB -0.651 31.101 31.823 -0.118 0.000 0.685 932 V HN 0.599 nan 8.190 nan 0.000 0.455 933 S N -1.000 114.679 115.700 -0.036 0.000 2.419 933 S HA -0.125 4.345 4.470 -0.000 0.000 0.235 933 S C 1.418 175.974 174.600 -0.075 0.000 1.019 933 S CA 2.067 60.249 58.200 -0.029 0.000 0.982 933 S CB -0.399 62.788 63.200 -0.021 0.000 0.789 933 S HN 0.771 nan 8.310 nan 0.000 0.490 934 M N 0.520 120.033 119.600 -0.145 0.000 2.692 934 M HA 0.377 4.857 4.480 -0.000 0.000 0.372 934 M C -0.308 175.772 176.300 -0.365 0.000 1.192 934 M CA -0.238 54.949 55.300 -0.188 0.000 0.928 934 M CB 0.570 33.090 32.600 -0.135 0.000 1.366 934 M HN 0.060 nan 8.290 nan 0.000 0.517 935 R N 1.976 122.099 120.500 -0.627 0.000 3.225 935 R HA -0.172 4.168 4.340 -0.000 0.000 0.245 935 R C -0.600 174.977 176.300 -1.205 0.000 0.928 935 R CA 0.960 56.158 56.100 -1.503 0.000 0.632 935 R CB -1.934 27.792 30.300 -0.957 0.000 1.038 935 R HN 0.714 nan 8.270 nan 0.000 0.461 936 M N -3.345 115.809 119.600 -0.744 0.000 2.755 936 M HA 0.482 4.962 4.480 -0.000 0.000 0.276 936 M C -2.927 173.276 176.300 -0.161 0.000 1.129 936 M CA -2.082 53.009 55.300 -0.348 0.000 0.832 936 M CB 2.375 34.845 32.600 -0.217 0.000 1.700 936 M HN -0.270 nan 8.290 nan 0.000 0.518 937 P HA 0.000 nan 4.420 nan 0.000 0.267 937 P C -0.700 176.566 177.300 -0.057 0.000 1.201 937 P CA 0.368 63.435 63.100 -0.054 0.000 0.775 937 P CB 0.791 32.472 31.700 -0.033 0.000 0.854 938 K N 1.040 121.420 120.400 -0.033 0.000 2.228 938 K HA 0.052 4.372 4.320 -0.000 0.000 0.202 938 K C 0.194 176.761 176.600 -0.055 0.000 1.051 938 K CA 0.706 56.972 56.287 -0.034 0.000 0.960 938 K CB 0.204 32.704 32.500 -0.000 0.000 0.743 938 K HN 0.266 nan 8.250 nan 0.000 0.458 939 V N 2.962 122.837 119.914 -0.065 0.000 2.495 939 V HA 0.285 4.405 4.120 -0.000 0.000 0.298 939 V C -0.192 175.790 176.094 -0.187 0.000 1.031 939 V CA -0.971 61.268 62.300 -0.101 0.000 0.871 939 V CB 1.541 33.327 31.823 -0.061 0.000 0.988 939 V HN 0.109 nan 8.190 nan 0.000 0.432 940 I N 2.715 123.091 120.570 -0.323 0.000 2.342 940 I HA 0.427 4.597 4.170 -0.000 0.000 0.291 940 I C 1.087 176.780 176.117 -0.707 0.000 1.010 940 I CA -0.314 60.555 61.300 -0.719 0.000 1.308 940 I CB 0.746 38.237 38.000 -0.850 0.000 1.400 940 I HN 0.845 nan 8.210 nan 0.000 0.488 941 H N 4.676 123.278 119.070 -0.780 0.000 2.519 941 H HA 0.121 4.677 4.556 -0.000 0.000 0.289 941 H C -0.206 175.070 175.328 -0.086 0.000 1.040 941 H CA -0.511 55.353 56.048 -0.307 0.000 1.165 941 H CB -0.168 29.562 29.762 -0.054 0.000 1.462 941 H HN 0.975 nan 8.280 nan 0.000 0.555 942 W N -0.051 121.205 121.300 -0.073 0.000 2.190 942 W HA 0.400 5.060 4.660 -0.000 0.000 0.337 942 W C 1.074 177.589 176.519 -0.007 0.000 0.911 942 W CA -0.907 56.458 57.345 0.032 0.000 1.925 942 W CB -0.126 29.414 29.460 0.132 0.000 1.134 942 W HN -0.087 nan 8.180 nan 0.000 0.536 943 Q N 1.956 121.673 119.800 -0.138 0.000 2.291 943 Q HA -0.013 4.327 4.340 -0.000 0.000 0.206 943 Q C 2.145 178.145 176.000 -0.000 0.000 0.976 943 Q CA 2.440 58.215 55.803 -0.047 0.000 0.875 943 Q CB -0.227 28.440 28.738 -0.118 0.000 0.927 943 Q HN 0.417 nan 8.270 nan 0.000 0.450 944 A N -0.707 122.123 122.820 0.015 0.000 1.873 944 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 944 A C 2.274 179.840 177.584 -0.030 0.000 1.186 944 A CA 2.009 54.046 52.037 -0.000 0.000 0.616 944 A CB -1.289 17.727 19.000 0.026 0.000 0.823 944 A HN 0.543 nan 8.150 nan 0.000 0.442 945 T N -1.591 112.963 114.554 0.000 0.000 2.962 945 T HA -0.142 4.208 4.350 -0.000 0.000 0.270 945 T C 1.887 176.488 174.700 -0.166 0.000 1.088 945 T CA 1.215 63.260 62.100 -0.092 0.000 1.127 945 T CB -0.409 68.388 68.868 -0.119 0.000 0.883 945 T HN 0.396 nan 8.240 nan 0.000 0.493 946 R N 0.635 121.073 120.500 -0.104 0.000 2.105 946 R HA 0.063 4.403 4.340 -0.000 0.000 0.239 946 R C 2.463 178.659 176.300 -0.174 0.000 1.135 946 R CA 0.940 56.968 56.100 -0.120 0.000 0.967 946 R CB -1.256 29.021 30.300 -0.038 0.000 0.861 946 R HN 0.433 nan 8.270 nan 0.000 0.442 947 L N 0.590 121.695 121.223 -0.197 0.000 2.005 947 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 947 L C 2.241 178.786 176.870 -0.542 0.000 1.072 947 L CA 1.157 55.789 54.840 -0.346 0.000 0.744 947 L CB -0.291 41.587 42.059 -0.302 0.000 0.895 947 L HN 0.061 nan 8.230 nan 0.000 0.433 948 I N 0.472 120.818 120.570 -0.374 0.000 2.113 948 I HA -0.340 3.830 4.170 -0.000 0.000 0.242 948 I C 2.914 178.869 176.117 -0.270 0.000 1.064 948 I CA 1.779 62.895 61.300 -0.307 0.000 1.320 948 I CB -1.835 36.060 38.000 -0.176 0.000 1.028 948 I HN 0.265 nan 8.210 nan 0.000 0.406 949 A N 0.637 123.316 122.820 -0.234 0.000 1.892 949 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 949 A C 2.082 179.582 177.584 -0.140 0.000 1.188 949 A CA 2.254 54.181 52.037 -0.183 0.000 0.631 949 A CB -0.757 18.126 19.000 -0.196 0.000 0.822 949 A HN 0.417 nan 8.150 nan 0.000 0.447 950 D N -1.088 119.209 120.400 -0.172 0.000 2.123 950 D HA -0.146 4.494 4.640 -0.000 0.000 0.196 950 D C 1.722 178.020 176.300 -0.004 0.000 0.992 950 D CA 1.577 55.522 54.000 -0.092 0.000 0.833 950 D CB -0.538 40.200 40.800 -0.105 0.000 0.954 950 D HN 0.770 nan 8.370 nan 0.000 0.455 951 H N 0.215 119.161 119.070 -0.207 0.000 2.319 951 H HA -0.034 4.522 4.556 -0.000 0.000 0.299 951 H C 2.379 177.587 175.328 -0.199 0.000 1.092 951 H CA 0.328 56.122 56.048 -0.423 0.000 1.302 951 H CB -0.003 29.241 29.762 -0.863 0.000 1.373 951 H HN 0.068 nan 8.280 nan 0.000 0.497 952 L N 0.226 121.441 121.223 -0.012 0.000 2.187 952 L HA -0.132 4.208 4.340 -0.000 0.000 0.213 952 L C 2.161 179.149 176.870 0.196 0.000 1.100 952 L CA 0.578 55.419 54.840 0.001 0.000 0.765 952 L CB 0.057 42.058 42.059 -0.097 0.000 0.904 952 L HN 0.192 nan 8.230 nan 0.000 0.437 953 V N -1.002 119.078 119.914 0.276 0.000 3.528 953 V HA 0.311 4.431 4.120 -0.000 0.000 0.294 953 V C 1.219 177.579 176.094 0.443 0.000 1.404 953 V CA 0.753 63.282 62.300 0.382 0.000 1.065 953 V CB 0.305 32.229 31.823 0.169 0.000 0.904 953 V HN 0.585 nan 8.190 nan 0.000 0.435 954 G N 1.471 110.455 108.800 0.307 0.000 2.160 954 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.244 954 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.244 954 G C 0.335 175.104 174.900 -0.218 0.000 1.022 954 G CA 0.577 45.663 45.100 -0.025 0.000 0.741 954 G HN 0.632 nan 8.290 nan 0.000 0.508 955 R N -0.096 120.296 120.500 -0.180 0.000 2.457 955 R HA 0.519 4.859 4.340 -0.000 0.000 0.284 955 R C 1.066 177.223 176.300 -0.238 0.000 1.024 955 R CA -0.688 55.161 56.100 -0.417 0.000 1.025 955 R CB 0.514 30.713 30.300 -0.169 0.000 1.063 955 R HN 0.081 nan 8.270 nan 0.000 0.493 956 K N 2.600 122.829 120.400 -0.285 0.000 3.237 956 K HA 0.067 4.387 4.320 -0.000 0.000 0.182 956 K C 0.819 177.389 176.600 -0.050 0.000 1.145 956 K CA 0.146 56.356 56.287 -0.129 0.000 1.470 956 K CB -0.302 32.113 32.500 -0.142 0.000 2.031 956 K HN 0.608 nan 8.250 nan 0.000 0.521 957 R N 0.000 120.480 120.500 -0.034 0.000 2.786 957 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 957 R CA 0.000 56.098 56.100 -0.003 0.000 0.921 957 R CB 0.000 30.301 30.300 0.002 0.000 0.687 957 R HN 0.000 nan 8.270 nan 0.000 0.535