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 3gid_1_B DATA FIRST_RESID 241 DATA SEQUENCE DFTVASPAEF VTRFGGDRVI EKVLIANNGI AAVKCMRSIR RWAYEMFRNE DATA SEQUENCE RAIRFVVMVT PEDLKANAEY IKMADHYVPV PGGPNNNNYA NVELIVDIAK DATA SEQUENCE RIPVQAVWAG WGHASENPKL PELLCKNGVA FLGPPSEAMW ALGDKIASTV DATA SEQUENCE VAQTLQVPTL PWSGSGLTVE XXXXXXXXXX XXXXXXXXXX KGCVKDVDEG DATA SEQUENCE LEAAERIGFP LMIKASEXXX GKGIRKAESA EDFPILFRQV QSEIPGSPIF DATA SEQUENCE LMKLAQHARH LEVQILADQY GNAVSLFGRD CSIQXXXQKI VEEAPATIAP DATA SEQUENCE LAIFEFMEQC AIRLAKTVGY VSAGTVEYLY SQDGSFHFLE LNPRLQVEHP DATA SEQUENCE CTEMIADVNL PAAQLQIAMG VPLHRLKDIR LLYGESPWGV TPISFETPSN DATA SEQUENCE PPLARGHVIA ARITSXXXXX XXXXXXGTVQ ELNFRSSKNV WGYFSVXXXX DATA SEQUENCE XXXXXXXXQF GHCFSWGENR EEAISNMVVA LKELSIRXXX RTTVEYLINL DATA SEQUENCE LETESFQNN 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 241 D HA 0.000 nan 4.640 nan 0.000 0.175 241 D C 0.000 176.374 176.300 0.123 0.000 2.045 241 D CA 0.000 54.161 54.000 0.268 0.000 0.868 241 D CB 0.000 41.131 40.800 0.552 0.000 0.688 242 F N 2.897 122.674 119.950 -0.288 0.000 2.539 242 F HA 0.522 5.048 4.527 -0.001 0.000 0.328 242 F C -0.883 174.567 175.800 -0.584 0.000 1.148 242 F CA -0.441 57.130 58.000 -0.716 0.000 0.940 242 F CB 1.002 38.942 39.000 -1.766 0.000 1.194 242 F HN -0.167 nan 8.300 nan 0.000 0.438 243 T N 4.052 118.613 114.554 0.011 0.000 2.893 243 T HA 0.808 5.158 4.350 -0.001 0.000 0.291 243 T C -0.679 173.969 174.700 -0.086 0.000 1.028 243 T CA -0.609 61.357 62.100 -0.223 0.000 0.995 243 T CB 1.596 70.362 68.868 -0.169 0.000 1.051 243 T HN 0.806 nan 8.240 nan 0.000 0.470 244 V N -0.664 119.158 119.914 -0.154 0.000 3.113 244 V HA 0.949 5.069 4.120 -0.001 0.000 0.316 244 V C 1.067 177.249 176.094 0.146 0.000 1.125 244 V CA -0.498 61.836 62.300 0.056 0.000 1.026 244 V CB 1.073 32.983 31.823 0.146 0.000 1.080 244 V HN 1.165 nan 8.190 nan 0.000 0.444 245 A N 1.285 124.196 122.820 0.152 0.000 1.984 245 A HA 0.512 4.832 4.320 -0.001 0.000 0.214 245 A C 1.192 178.821 177.584 0.074 0.000 1.173 245 A CA 1.018 53.116 52.037 0.102 0.000 0.673 245 A CB -0.470 18.560 19.000 0.050 0.000 0.830 245 A HN 1.740 nan 8.150 nan 0.000 0.453 246 S N -2.988 112.757 115.700 0.075 0.000 2.588 246 S HA 0.564 5.033 4.470 -0.001 0.000 0.275 246 S C -2.663 171.849 174.600 -0.146 0.000 1.130 246 S CA -1.123 56.984 58.200 -0.154 0.000 0.855 246 S CB 1.526 64.675 63.200 -0.085 0.000 1.116 246 S HN -0.109 nan 8.310 nan 0.000 0.472 247 P HA -0.091 nan 4.420 nan 0.000 0.216 247 P C 1.605 178.993 177.300 0.147 0.000 1.150 247 P CA 2.248 65.275 63.100 -0.121 0.000 0.843 247 P CB -0.195 31.361 31.700 -0.239 0.000 0.787 248 A N -0.151 122.701 122.820 0.054 0.000 1.902 248 A HA -0.257 4.063 4.320 -0.001 0.000 0.217 248 A C 2.337 179.999 177.584 0.130 0.000 1.181 248 A CA 1.833 53.920 52.037 0.084 0.000 0.623 248 A CB -1.279 17.741 19.000 0.034 0.000 0.818 248 A HN 0.212 nan 8.150 nan 0.000 0.443 249 E N -1.461 118.826 120.200 0.146 0.000 2.152 249 E HA -0.156 4.194 4.350 -0.001 0.000 0.192 249 E C 1.748 178.493 176.600 0.242 0.000 0.983 249 E CA 1.030 57.528 56.400 0.163 0.000 0.818 249 E CB -0.201 29.590 29.700 0.151 0.000 0.758 249 E HN 0.652 nan 8.360 nan 0.000 0.467 250 F N 0.740 120.820 119.950 0.218 0.000 2.113 250 F HA -0.186 4.340 4.527 -0.001 0.000 0.297 250 F C 1.995 177.971 175.800 0.293 0.000 1.103 250 F CA 1.206 59.365 58.000 0.265 0.000 1.248 250 F CB -0.314 38.866 39.000 0.300 0.000 0.999 250 F HN -0.157 nan 8.300 nan 0.000 0.475 251 V N 0.161 120.217 119.914 0.237 0.000 2.392 251 V HA -0.330 3.790 4.120 -0.001 0.000 0.249 251 V C 2.349 178.458 176.094 0.025 0.000 1.059 251 V CA 2.410 64.773 62.300 0.105 0.000 1.051 251 V CB -1.153 30.787 31.823 0.195 0.000 0.658 251 V HN 0.477 nan 8.190 nan 0.000 0.455 252 T N -0.259 114.330 114.554 0.057 0.000 2.701 252 T HA -0.169 4.181 4.350 -0.001 0.000 0.263 252 T C 2.004 176.707 174.700 0.004 0.000 1.040 252 T CA 1.508 63.629 62.100 0.036 0.000 1.147 252 T CB -0.224 68.672 68.868 0.048 0.000 0.865 252 T HN 0.442 nan 8.240 nan 0.000 0.426 253 R N -0.248 120.264 120.500 0.021 0.000 2.235 253 R HA 0.073 4.412 4.340 -0.001 0.000 0.213 253 R C 0.963 177.136 176.300 -0.211 0.000 1.059 253 R CA 0.796 56.876 56.100 -0.033 0.000 0.997 253 R CB -0.124 30.216 30.300 0.067 0.000 0.884 253 R HN 0.343 nan 8.270 nan 0.000 0.462 254 F N -0.441 119.327 119.950 -0.303 0.000 2.647 254 F HA 0.308 4.835 4.527 -0.001 0.000 0.300 254 F C 1.169 176.845 175.800 -0.206 0.000 1.106 254 F CA 0.006 57.817 58.000 -0.315 0.000 1.313 254 F CB 1.098 39.672 39.000 -0.710 0.000 1.007 254 F HN 0.115 nan 8.300 nan 0.000 0.536 255 G N 0.633 109.410 108.800 -0.039 0.000 2.160 255 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.244 255 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.244 255 G C 0.662 175.585 174.900 0.039 0.000 1.022 255 G CA -0.089 44.998 45.100 -0.022 0.000 0.741 255 G HN 0.748 nan 8.290 nan 0.000 0.508 256 G N -0.586 108.247 108.800 0.055 0.000 2.537 256 G HA2 0.609 4.568 3.960 -0.001 0.000 0.297 256 G HA3 0.609 4.568 3.960 -0.001 0.000 0.297 256 G C 0.479 175.444 174.900 0.109 0.000 1.310 256 G CA 0.530 45.700 45.100 0.116 0.000 1.027 256 G HN 0.650 nan 8.290 nan 0.000 0.505 257 D N -2.653 117.817 120.400 0.115 0.000 2.530 257 D HA 0.074 4.714 4.640 -0.001 0.000 0.253 257 D C 0.503 176.848 176.300 0.075 0.000 1.338 257 D CA -0.317 53.738 54.000 0.092 0.000 0.806 257 D CB 0.378 41.239 40.800 0.101 0.000 1.160 257 D HN 0.354 nan 8.370 nan 0.000 0.514 258 R N 1.249 121.798 120.500 0.082 0.000 2.531 258 R HA 0.394 4.734 4.340 -0.001 0.000 0.293 258 R C -1.640 174.707 176.300 0.079 0.000 1.124 258 R CA -0.503 55.636 56.100 0.066 0.000 0.945 258 R CB 1.802 32.133 30.300 0.051 0.000 1.195 258 R HN -0.146 nan 8.270 nan 0.000 0.433 259 V N 6.631 126.585 119.914 0.066 0.000 2.479 259 V HA 0.242 4.362 4.120 -0.001 0.000 0.281 259 V C 0.535 176.651 176.094 0.037 0.000 1.031 259 V CA 0.169 62.510 62.300 0.068 0.000 1.038 259 V CB 0.838 32.687 31.823 0.043 0.000 0.981 259 V HN 0.590 nan 8.190 nan 0.000 0.478 260 I N 5.500 126.094 120.570 0.039 0.000 2.411 260 I HA 0.364 4.534 4.170 -0.001 0.000 0.284 260 I C 0.750 176.838 176.117 -0.048 0.000 1.012 260 I CA -0.119 61.178 61.300 -0.006 0.000 1.119 260 I CB 1.427 39.426 38.000 -0.002 0.000 1.261 260 I HN 0.824 nan 8.210 nan 0.000 0.448 261 E N 4.841 124.986 120.200 -0.091 0.000 2.641 261 E HA 0.244 4.594 4.350 -0.001 0.000 0.224 261 E C 0.020 176.506 176.600 -0.189 0.000 0.951 261 E CA -0.456 55.854 56.400 -0.150 0.000 1.102 261 E CB 1.061 30.667 29.700 -0.156 0.000 1.091 261 E HN 0.400 nan 8.360 nan 0.000 0.507 262 K N 1.294 121.593 120.400 -0.168 0.000 2.482 262 K HA 0.454 4.773 4.320 -0.001 0.000 0.251 262 K C -1.783 174.713 176.600 -0.174 0.000 0.936 262 K CA -0.704 55.467 56.287 -0.193 0.000 0.791 262 K CB 2.614 35.046 32.500 -0.114 0.000 1.213 262 K HN -0.036 nan 8.250 nan 0.000 0.428 263 V N 4.468 124.233 119.914 -0.247 0.000 2.588 263 V HA 0.380 4.500 4.120 -0.001 0.000 0.304 263 V C -0.848 175.287 176.094 0.068 0.000 1.042 263 V CA -1.050 61.185 62.300 -0.109 0.000 0.877 263 V CB 1.605 33.311 31.823 -0.195 0.000 0.996 263 V HN 0.677 nan 8.190 nan 0.000 0.425 264 L N 6.122 127.426 121.223 0.135 0.000 2.276 264 L HA 0.579 4.919 4.340 -0.001 0.000 0.286 264 L C -0.400 176.628 176.870 0.263 0.000 1.061 264 L CA 0.334 55.288 54.840 0.191 0.000 0.807 264 L CB 0.768 42.918 42.059 0.153 0.000 1.177 264 L HN 0.538 nan 8.230 nan 0.000 0.429 265 I N 5.744 126.488 120.570 0.291 0.000 2.304 265 I HA 0.332 4.501 4.170 -0.001 0.000 0.291 265 I C 0.496 176.759 176.117 0.244 0.000 1.018 265 I CA -0.291 61.194 61.300 0.310 0.000 1.260 265 I CB 1.468 39.619 38.000 0.251 0.000 1.390 265 I HN 0.828 nan 8.210 nan 0.000 0.475 266 A N 6.445 129.395 122.820 0.217 0.000 3.168 266 A HA 0.414 4.734 4.320 -0.001 0.000 0.260 266 A C -0.012 177.619 177.584 0.079 0.000 1.598 266 A CA -0.003 52.155 52.037 0.201 0.000 1.285 266 A CB -0.585 18.508 19.000 0.155 0.000 1.149 266 A HN 0.767 nan 8.150 nan 0.000 0.630 267 N N -0.074 118.559 118.700 -0.112 0.000 3.501 267 N HA 0.152 4.892 4.740 -0.001 0.000 0.235 267 N C -1.764 173.261 175.510 -0.809 0.000 1.442 267 N CA -0.217 52.440 53.050 -0.656 0.000 0.872 267 N CB 1.198 39.477 38.487 -0.347 0.000 1.414 267 N HN 0.506 nan 8.380 nan 0.000 0.485 268 N N -0.677 117.469 118.700 -0.922 0.000 3.343 268 N HA 0.683 5.422 4.740 -0.001 0.000 0.330 268 N C 0.712 175.831 175.510 -0.651 0.000 1.560 268 N CA 0.535 52.941 53.050 -1.074 0.000 0.752 268 N CB -0.167 37.839 38.487 -0.802 0.000 1.863 268 N HN 0.798 nan 8.380 nan 0.000 0.636 269 G N 0.261 108.755 108.800 -0.510 0.000 2.564 269 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.273 269 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.273 269 G C 0.627 175.467 174.900 -0.100 0.000 1.242 269 G CA 0.486 45.514 45.100 -0.120 0.000 0.951 269 G HN 0.935 nan 8.290 nan 0.000 0.564 270 I N 1.563 122.125 120.570 -0.013 0.000 2.454 270 I HA 0.151 4.321 4.170 -0.001 0.000 0.254 270 I C 2.966 179.112 176.117 0.047 0.000 1.156 270 I CA 2.583 63.853 61.300 -0.050 0.000 1.433 270 I CB -0.775 37.037 38.000 -0.313 0.000 1.082 270 I HN 0.978 nan 8.210 nan 0.000 0.432 271 A N 0.506 123.338 122.820 0.021 0.000 1.858 271 A HA -0.109 4.211 4.320 -0.001 0.000 0.216 271 A C 2.530 180.022 177.584 -0.154 0.000 1.190 271 A CA 1.927 53.830 52.037 -0.222 0.000 0.617 271 A CB -1.386 17.134 19.000 -0.800 0.000 0.827 271 A HN 0.497 nan 8.150 nan 0.000 0.443 272 A N -0.624 122.055 122.820 -0.235 0.000 1.877 272 A HA -0.017 4.303 4.320 -0.001 0.000 0.216 272 A C 2.244 179.670 177.584 -0.264 0.000 1.186 272 A CA 1.904 53.779 52.037 -0.271 0.000 0.620 272 A CB -1.039 17.700 19.000 -0.435 0.000 0.822 272 A HN 0.433 nan 8.150 nan 0.000 0.443 273 V N 0.323 120.141 119.914 -0.159 0.000 2.343 273 V HA -0.239 3.880 4.120 -0.001 0.000 0.247 273 V C 2.588 178.575 176.094 -0.179 0.000 1.051 273 V CA 2.449 64.677 62.300 -0.120 0.000 1.036 273 V CB -0.641 31.162 31.823 -0.034 0.000 0.654 273 V HN 0.627 nan 8.190 nan 0.000 0.451 274 K N 0.209 120.526 120.400 -0.138 0.000 2.057 274 K HA -0.150 4.169 4.320 -0.001 0.000 0.206 274 K C 2.190 178.634 176.600 -0.259 0.000 1.050 274 K CA 1.987 58.203 56.287 -0.117 0.000 0.935 274 K CB -1.314 31.249 32.500 0.106 0.000 0.715 274 K HN 0.484 nan 8.250 nan 0.000 0.439 275 C N 0.401 119.399 119.300 -0.504 0.000 2.413 275 C HA -0.070 4.390 4.460 -0.001 0.000 0.276 275 C C 2.490 177.039 174.990 -0.735 0.000 1.236 275 C CA 1.283 59.770 59.018 -0.885 0.000 1.735 275 C CB -0.828 25.901 27.740 -1.686 0.000 2.031 275 C HN 0.621 nan 8.230 nan 0.000 0.474 276 M N -0.291 118.852 119.600 -0.761 0.000 2.156 276 M HA -0.074 4.406 4.480 -0.001 0.000 0.264 276 M C 2.598 178.651 176.300 -0.412 0.000 1.067 276 M CA 1.504 56.282 55.300 -0.871 0.000 1.131 276 M CB -0.521 31.637 32.600 -0.736 0.000 1.368 276 M HN 0.378 nan 8.290 nan 0.000 0.416 277 R N -0.474 119.852 120.500 -0.289 0.000 2.075 277 R HA -0.050 4.290 4.340 -0.001 0.000 0.232 277 R C 2.355 178.575 176.300 -0.133 0.000 1.126 277 R CA 1.501 57.494 56.100 -0.179 0.000 0.963 277 R CB -0.517 29.680 30.300 -0.171 0.000 0.858 277 R HN 0.306 nan 8.270 nan 0.000 0.435 278 S N 1.150 116.757 115.700 -0.155 0.000 2.356 278 S HA -0.073 4.397 4.470 -0.001 0.000 0.223 278 S C 2.052 176.645 174.600 -0.011 0.000 1.032 278 S CA 1.081 59.226 58.200 -0.092 0.000 1.005 278 S CB -0.141 62.995 63.200 -0.106 0.000 0.867 278 S HN 0.207 nan 8.310 nan 0.000 0.449 279 I N 1.110 121.667 120.570 -0.021 0.000 2.252 279 I HA -0.138 4.031 4.170 -0.001 0.000 0.245 279 I C 2.584 178.870 176.117 0.282 0.000 1.102 279 I CA 0.997 62.400 61.300 0.172 0.000 1.385 279 I CB -0.289 37.877 38.000 0.276 0.000 1.064 279 I HN 0.164 nan 8.210 nan 0.000 0.414 280 R N 0.424 121.029 120.500 0.175 0.000 2.120 280 R HA -0.198 4.141 4.340 -0.001 0.000 0.234 280 R C 2.379 178.763 176.300 0.140 0.000 1.123 280 R CA 1.225 57.426 56.100 0.169 0.000 0.975 280 R CB -0.379 29.970 30.300 0.081 0.000 0.866 280 R HN 0.226 nan 8.270 nan 0.000 0.446 281 R N 0.440 121.002 120.500 0.103 0.000 2.075 281 R HA -0.175 4.165 4.340 -0.001 0.000 0.232 281 R C 1.844 178.240 176.300 0.160 0.000 1.126 281 R CA 1.493 57.656 56.100 0.104 0.000 0.963 281 R CB -0.697 29.630 30.300 0.044 0.000 0.858 281 R HN 0.340 nan 8.270 nan 0.000 0.435 282 W N 0.752 122.041 121.300 -0.017 0.000 2.358 282 W HA -0.054 4.605 4.660 -0.001 0.000 0.303 282 W C 1.912 178.368 176.519 -0.105 0.000 1.208 282 W CA 2.170 59.469 57.345 -0.076 0.000 1.274 282 W CB -0.654 28.738 29.460 -0.114 0.000 1.138 282 W HN 0.194 nan 8.180 nan 0.000 0.515 283 A N -0.535 122.237 122.820 -0.080 0.000 1.940 283 A HA -0.271 4.048 4.320 -0.001 0.000 0.219 283 A C 1.946 179.419 177.584 -0.185 0.000 1.176 283 A CA 1.754 53.659 52.037 -0.220 0.000 0.631 283 A CB -1.623 17.483 19.000 0.176 0.000 0.814 283 A HN 0.641 nan 8.150 nan 0.000 0.446 284 Y N 0.461 120.668 120.300 -0.156 0.000 2.242 284 Y HA -0.185 4.365 4.550 -0.001 0.000 0.291 284 Y C 2.279 178.051 175.900 -0.213 0.000 1.137 284 Y CA 2.099 60.122 58.100 -0.129 0.000 1.181 284 Y CB -0.059 38.360 38.460 -0.067 0.000 0.989 284 Y HN 0.458 nan 8.280 nan 0.000 0.527 285 E N -0.741 119.270 120.200 -0.315 0.000 2.107 285 E HA -0.192 4.158 4.350 -0.001 0.000 0.191 285 E C 2.056 178.332 176.600 -0.540 0.000 0.982 285 E CA 1.130 57.311 56.400 -0.364 0.000 0.809 285 E CB -0.029 29.574 29.700 -0.161 0.000 0.756 285 E HN 0.430 nan 8.360 nan 0.000 0.459 286 M N -0.832 118.223 119.600 -0.909 0.000 2.299 286 M HA 0.037 4.517 4.480 -0.001 0.000 0.264 286 M C 1.338 176.996 176.300 -1.070 0.000 1.095 286 M CA 1.404 55.971 55.300 -1.222 0.000 1.165 286 M CB -0.092 31.172 32.600 -2.227 0.000 1.349 286 M HN 0.109 nan 8.290 nan 0.000 0.446 287 F N -0.220 119.412 119.950 -0.530 0.000 2.721 287 F HA 0.202 4.729 4.527 -0.001 0.000 0.301 287 F C 0.503 176.128 175.800 -0.292 0.000 1.096 287 F CA -0.409 57.373 58.000 -0.363 0.000 1.308 287 F CB 0.253 39.051 39.000 -0.337 0.000 1.086 287 F HN 0.056 nan 8.300 nan 0.000 0.587 288 R N 1.014 121.339 120.500 -0.292 0.000 3.641 288 R HA -0.255 4.085 4.340 -0.001 0.000 0.286 288 R C -1.010 175.252 176.300 -0.064 0.000 1.153 288 R CA 0.479 56.367 56.100 -0.353 0.000 0.775 288 R CB -3.029 27.124 30.300 -0.244 0.000 1.215 288 R HN 0.488 nan 8.270 nan 0.000 0.474 289 N N 0.033 118.765 118.700 0.054 0.000 2.571 289 N HA 0.073 4.813 4.740 -0.001 0.000 0.286 289 N C 0.789 176.402 175.510 0.170 0.000 1.138 289 N CA -0.127 53.004 53.050 0.135 0.000 0.859 289 N CB 1.159 39.680 38.487 0.056 0.000 1.414 289 N HN 0.242 nan 8.380 nan 0.000 0.529 290 E N 2.051 122.385 120.200 0.223 0.000 2.333 290 E HA -0.075 4.275 4.350 -0.001 0.000 0.198 290 E C 0.197 176.868 176.600 0.118 0.000 1.007 290 E CA 0.836 57.336 56.400 0.166 0.000 0.845 290 E CB 0.186 29.929 29.700 0.071 0.000 0.766 290 E HN 0.289 nan 8.360 nan 0.000 0.507 291 R N 0.110 120.659 120.500 0.081 0.000 2.507 291 R HA 0.319 4.659 4.340 -0.001 0.000 0.298 291 R C 1.394 177.691 176.300 -0.005 0.000 0.999 291 R CA 0.576 56.713 56.100 0.061 0.000 1.082 291 R CB 0.477 30.804 30.300 0.044 0.000 1.246 291 R HN 0.270 nan 8.270 nan 0.000 0.553 292 A N 1.207 124.007 122.820 -0.034 0.000 1.940 292 A HA -0.060 4.260 4.320 -0.001 0.000 0.219 292 A C 1.085 178.527 177.584 -0.238 0.000 1.176 292 A CA 0.930 52.844 52.037 -0.205 0.000 0.631 292 A CB -0.038 18.720 19.000 -0.404 0.000 0.814 292 A HN 0.083 nan 8.150 nan 0.000 0.446 293 I N 1.208 121.698 120.570 -0.133 0.000 2.297 293 I HA 0.284 4.453 4.170 -0.001 0.000 0.291 293 I C -0.219 175.718 176.117 -0.301 0.000 1.033 293 I CA -0.357 60.815 61.300 -0.214 0.000 1.253 293 I CB 0.543 38.449 38.000 -0.158 0.000 1.396 293 I HN 0.173 nan 8.210 nan 0.000 0.476 294 R N 5.458 125.774 120.500 -0.307 0.000 2.459 294 R HA 0.528 4.868 4.340 -0.001 0.000 0.281 294 R C -0.963 175.102 176.300 -0.391 0.000 1.050 294 R CA -0.409 55.568 56.100 -0.205 0.000 1.055 294 R CB 0.925 31.165 30.300 -0.100 0.000 1.045 294 R HN 0.269 nan 8.270 nan 0.000 0.495 295 F N 0.361 120.330 119.950 0.031 0.000 2.495 295 F HA 0.371 4.897 4.527 -0.001 0.000 0.327 295 F C 0.106 175.965 175.800 0.098 0.000 1.103 295 F CA -0.941 57.088 58.000 0.048 0.000 0.949 295 F CB 1.854 40.868 39.000 0.024 0.000 1.142 295 F HN -0.006 nan 8.300 nan 0.000 0.457 296 V N 3.967 124.057 119.914 0.292 0.000 2.513 296 V HA 0.651 4.771 4.120 -0.001 0.000 0.299 296 V C -0.461 175.801 176.094 0.279 0.000 1.035 296 V CA -0.908 61.557 62.300 0.275 0.000 0.889 296 V CB 1.684 33.652 31.823 0.241 0.000 0.988 296 V HN 0.596 nan 8.190 nan 0.000 0.440 297 V N 2.279 122.358 119.914 0.275 0.000 2.667 297 V HA 0.667 4.787 4.120 -0.001 0.000 0.308 297 V C -0.245 176.025 176.094 0.292 0.000 1.048 297 V CA -0.964 61.520 62.300 0.307 0.000 0.928 297 V CB 1.856 33.930 31.823 0.418 0.000 1.004 297 V HN 0.795 nan 8.190 nan 0.000 0.444 298 M N 3.355 123.140 119.600 0.308 0.000 2.180 298 M HA 0.601 5.081 4.480 -0.001 0.000 0.358 298 M C -0.972 175.540 176.300 0.353 0.000 1.233 298 M CA -0.296 55.152 55.300 0.246 0.000 1.114 298 M CB 1.566 34.262 32.600 0.160 0.000 1.594 298 M HN 0.601 nan 8.290 nan 0.000 0.467 299 V N 2.156 122.198 119.914 0.214 0.000 2.638 299 V HA 0.458 4.578 4.120 -0.001 0.000 0.306 299 V C 0.130 176.273 176.094 0.082 0.000 1.052 299 V CA -0.861 61.578 62.300 0.231 0.000 0.885 299 V CB 2.074 33.955 31.823 0.097 0.000 0.999 299 V HN 0.958 nan 8.190 nan 0.000 0.424 300 T N 2.316 116.929 114.554 0.098 0.000 2.881 300 T HA 0.436 4.786 4.350 -0.001 0.000 0.278 300 T C -1.976 172.749 174.700 0.041 0.000 0.982 300 T CA -1.923 60.191 62.100 0.023 0.000 0.989 300 T CB 1.833 70.731 68.868 0.050 0.000 1.058 300 T HN 0.391 nan 8.240 nan 0.000 0.529 301 P HA -0.023 nan 4.420 nan 0.000 0.217 301 P C 1.214 178.531 177.300 0.029 0.000 1.150 301 P CA 0.928 64.041 63.100 0.022 0.000 0.832 301 P CB 0.031 31.742 31.700 0.017 0.000 0.787 302 E N -0.147 120.083 120.200 0.049 0.000 2.070 302 E HA -0.202 4.148 4.350 -0.001 0.000 0.197 302 E C 1.750 178.388 176.600 0.064 0.000 1.004 302 E CA 1.543 57.980 56.400 0.062 0.000 0.805 302 E CB -1.070 28.683 29.700 0.087 0.000 0.744 302 E HN 0.294 nan 8.360 nan 0.000 0.451 303 D N 0.043 120.497 120.400 0.090 0.000 2.117 303 D HA -0.090 4.550 4.640 -0.001 0.000 0.198 303 D C 2.036 178.323 176.300 -0.023 0.000 0.982 303 D CA 0.551 54.604 54.000 0.088 0.000 0.828 303 D CB -0.260 40.666 40.800 0.211 0.000 0.967 303 D HN 0.106 nan 8.370 nan 0.000 0.464 304 L N 0.773 121.963 121.223 -0.054 0.000 2.079 304 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 304 L C 2.428 179.255 176.870 -0.071 0.000 1.081 304 L CA 1.230 55.999 54.840 -0.117 0.000 0.752 304 L CB -0.151 41.855 42.059 -0.087 0.000 0.896 304 L HN 0.026 nan 8.230 nan 0.000 0.433 305 K N 0.061 120.445 120.400 -0.026 0.000 2.057 305 K HA -0.180 4.139 4.320 -0.001 0.000 0.207 305 K C 1.732 178.323 176.600 -0.015 0.000 1.049 305 K CA 1.474 57.754 56.287 -0.012 0.000 0.931 305 K CB -0.057 32.448 32.500 0.007 0.000 0.714 305 K HN 0.317 nan 8.250 nan 0.000 0.440 306 A N 0.881 123.696 122.820 -0.008 0.000 2.238 306 A HA -0.024 4.295 4.320 -0.001 0.000 0.208 306 A C 0.430 177.996 177.584 -0.030 0.000 1.177 306 A CA 0.456 52.491 52.037 -0.002 0.000 0.804 306 A CB -0.421 18.595 19.000 0.026 0.000 0.823 306 A HN 0.690 nan 8.150 nan 0.000 0.482 307 N N -1.345 117.314 118.700 -0.069 0.000 2.756 307 N HA -0.170 4.570 4.740 -0.001 0.000 0.248 307 N C 0.191 175.627 175.510 -0.123 0.000 1.062 307 N CA 0.267 53.252 53.050 -0.108 0.000 0.696 307 N CB -1.065 37.378 38.487 -0.074 0.000 0.946 307 N HN 0.689 nan 8.380 nan 0.000 0.548 308 A N 0.585 123.321 122.820 -0.141 0.000 2.498 308 A HA 0.111 4.431 4.320 -0.001 0.000 0.239 308 A C 1.261 178.723 177.584 -0.205 0.000 1.068 308 A CA 0.318 52.295 52.037 -0.100 0.000 0.766 308 A CB 0.331 19.339 19.000 0.013 0.000 1.003 308 A HN 0.495 nan 8.150 nan 0.000 0.497 309 E N 0.568 120.724 120.200 -0.073 0.000 2.153 309 E HA -0.214 4.135 4.350 -0.001 0.000 0.194 309 E C 1.365 177.900 176.600 -0.110 0.000 0.988 309 E CA 2.251 58.606 56.400 -0.076 0.000 0.811 309 E CB -0.427 29.267 29.700 -0.011 0.000 0.746 309 E HN 0.947 nan 8.360 nan 0.000 0.466 310 Y N -0.874 119.386 120.300 -0.067 0.000 2.571 310 Y HA 0.094 4.643 4.550 -0.001 0.000 0.294 310 Y C 1.601 177.460 175.900 -0.068 0.000 1.141 310 Y CA 0.276 58.333 58.100 -0.073 0.000 1.308 310 Y CB -0.445 37.971 38.460 -0.073 0.000 1.002 310 Y HN -0.042 nan 8.280 nan 0.000 0.551 311 I N 1.097 121.148 120.570 -0.864 0.000 2.133 311 I HA -0.242 3.928 4.170 -0.001 0.000 0.238 311 I C 2.306 178.242 176.117 -0.301 0.000 1.074 311 I CA 1.604 62.492 61.300 -0.687 0.000 1.342 311 I CB -0.396 37.113 38.000 -0.819 0.000 1.053 311 I HN 0.117 nan 8.210 nan 0.000 0.404 312 K N 0.229 120.487 120.400 -0.236 0.000 2.211 312 K HA -0.133 4.186 4.320 -0.001 0.000 0.203 312 K C 2.121 178.700 176.600 -0.036 0.000 1.050 312 K CA 1.159 57.391 56.287 -0.092 0.000 0.945 312 K CB -0.134 32.315 32.500 -0.086 0.000 0.732 312 K HN 0.335 nan 8.250 nan 0.000 0.451 313 M N 1.358 120.928 119.600 -0.051 0.000 2.086 313 M HA -0.091 4.389 4.480 -0.001 0.000 0.261 313 M C 0.729 177.042 176.300 0.021 0.000 1.067 313 M CA 0.960 56.249 55.300 -0.019 0.000 1.116 313 M CB -0.074 32.511 32.600 -0.026 0.000 1.348 313 M HN 0.036 nan 8.290 nan 0.000 0.407 314 A N 1.013 123.862 122.820 0.048 0.000 2.507 314 A HA -0.086 4.234 4.320 -0.001 0.000 0.235 314 A C 0.612 178.288 177.584 0.153 0.000 1.070 314 A CA 0.316 52.430 52.037 0.129 0.000 0.768 314 A CB -0.090 19.015 19.000 0.176 0.000 1.011 314 A HN 0.604 nan 8.150 nan 0.000 0.502 315 D N -0.863 119.657 120.400 0.199 0.000 2.224 315 D HA -0.004 4.636 4.640 -0.001 0.000 0.205 315 D C 0.158 176.591 176.300 0.223 0.000 0.965 315 D CA 1.681 55.786 54.000 0.175 0.000 0.852 315 D CB 0.108 41.000 40.800 0.153 0.000 0.947 315 D HN 0.707 nan 8.370 nan 0.000 0.494 316 H N -1.070 118.072 119.070 0.121 0.000 3.085 316 H HA 0.286 4.842 4.556 -0.001 0.000 0.356 316 H C -1.614 173.807 175.328 0.155 0.000 1.178 316 H CA -0.961 55.130 56.048 0.072 0.000 1.214 316 H CB 0.963 30.734 29.762 0.015 0.000 1.881 316 H HN -0.115 nan 8.280 nan 0.000 0.538 317 Y N 1.515 121.505 120.300 -0.518 0.000 2.536 317 Y HA 0.738 5.288 4.550 -0.001 0.000 0.347 317 Y C -1.815 173.851 175.900 -0.391 0.000 1.000 317 Y CA -1.287 56.635 58.100 -0.298 0.000 1.051 317 Y CB 1.152 39.514 38.460 -0.163 0.000 1.259 317 Y HN 0.362 nan 8.280 nan 0.000 0.468 318 V N 3.947 123.867 119.914 0.011 0.000 2.376 318 V HA 0.415 4.535 4.120 -0.001 0.000 0.287 318 V C -2.465 173.684 176.094 0.091 0.000 1.015 318 V CA -2.181 60.114 62.300 -0.008 0.000 0.834 318 V CB 1.474 33.323 31.823 0.043 0.000 1.001 318 V HN 0.667 nan 8.190 nan 0.000 0.428 319 P HA 0.212 nan 4.420 nan 0.000 0.268 319 P C -0.606 176.704 177.300 0.017 0.000 1.204 319 P CA 0.315 63.465 63.100 0.083 0.000 0.768 319 P CB 0.784 32.531 31.700 0.078 0.000 0.842 320 V N 0.916 120.817 119.914 -0.021 0.000 3.130 320 V HA 0.738 4.857 4.120 -0.001 0.000 0.310 320 V C -2.827 173.223 176.094 -0.073 0.000 1.158 320 V CA -3.206 59.052 62.300 -0.070 0.000 1.029 320 V CB 1.499 33.231 31.823 -0.152 0.000 1.057 320 V HN 0.203 nan 8.190 nan 0.000 0.436 321 P HA 0.341 nan 4.420 nan 0.000 0.269 321 P C 0.345 177.610 177.300 -0.059 0.000 1.215 321 P CA 0.735 63.804 63.100 -0.050 0.000 0.780 321 P CB 0.469 32.144 31.700 -0.042 0.000 0.898 322 G N 0.304 109.088 108.800 -0.026 0.000 2.509 322 G HA2 0.546 4.505 3.960 -0.001 0.000 0.269 322 G HA3 0.546 4.505 3.960 -0.001 0.000 0.269 322 G C 0.211 175.112 174.900 0.001 0.000 1.416 322 G CA -0.163 44.932 45.100 -0.009 0.000 1.052 322 G HN 0.830 nan 8.290 nan 0.000 0.542 323 G N -1.048 107.767 108.800 0.025 0.000 2.693 323 G HA2 -0.044 3.916 3.960 -0.001 0.000 0.226 323 G HA3 -0.044 3.916 3.960 -0.001 0.000 0.226 323 G C -2.551 172.377 174.900 0.047 0.000 1.354 323 G CA -0.248 44.872 45.100 0.033 0.000 0.873 323 G HN 0.767 nan 8.290 nan 0.000 0.562 324 P HA 0.087 nan 4.420 nan 0.000 0.266 324 P C 1.003 178.346 177.300 0.072 0.000 1.186 324 P CA 0.515 63.655 63.100 0.067 0.000 0.767 324 P CB 0.271 32.001 31.700 0.050 0.000 0.820 325 N N 2.523 121.295 118.700 0.121 0.000 2.520 325 N HA -0.165 4.575 4.740 -0.001 0.000 0.185 325 N C 0.807 176.368 175.510 0.084 0.000 1.068 325 N CA 1.011 54.149 53.050 0.146 0.000 0.911 325 N CB -1.120 37.566 38.487 0.333 0.000 0.961 325 N HN 0.461 nan 8.380 nan 0.000 0.446 326 N N 0.070 118.809 118.700 0.064 0.000 2.573 326 N HA -0.096 4.643 4.740 -0.001 0.000 0.187 326 N C 0.274 175.788 175.510 0.007 0.000 1.107 326 N CA 0.488 53.560 53.050 0.036 0.000 0.918 326 N CB -0.250 38.257 38.487 0.033 0.000 0.966 326 N HN 0.177 nan 8.380 nan 0.000 0.448 327 N N 0.614 119.311 118.700 -0.005 0.000 2.424 327 N HA -0.032 4.708 4.740 -0.001 0.000 0.178 327 N C 0.405 175.868 175.510 -0.079 0.000 1.060 327 N CA 0.656 53.688 53.050 -0.031 0.000 0.901 327 N CB 0.205 38.677 38.487 -0.025 0.000 0.979 327 N HN 0.639 nan 8.380 nan 0.000 0.451 328 N N -1.095 117.534 118.700 -0.118 0.000 3.158 328 N HA 0.016 4.755 4.740 -0.001 0.000 0.190 328 N C 1.039 176.388 175.510 -0.267 0.000 1.508 328 N CA -0.251 52.635 53.050 -0.273 0.000 1.199 328 N CB -0.453 37.747 38.487 -0.479 0.000 1.004 328 N HN -0.067 nan 8.380 nan 0.000 0.660 329 Y N 0.341 120.557 120.300 -0.140 0.000 2.421 329 Y HA 0.278 4.827 4.550 -0.001 0.000 0.292 329 Y C 2.059 177.910 175.900 -0.081 0.000 1.136 329 Y CA 0.849 58.808 58.100 -0.235 0.000 1.255 329 Y CB 0.040 38.039 38.460 -0.767 0.000 0.991 329 Y HN 0.461 nan 8.280 nan 0.000 0.552 330 A N -0.570 122.324 122.820 0.124 0.000 2.308 330 A HA 0.022 4.342 4.320 -0.001 0.000 0.217 330 A C 0.671 178.278 177.584 0.038 0.000 1.216 330 A CA -0.152 51.951 52.037 0.110 0.000 0.864 330 A CB -0.241 18.839 19.000 0.134 0.000 0.902 330 A HN 0.187 nan 8.150 nan 0.000 0.499 331 N N 1.173 119.878 118.700 0.008 0.000 2.482 331 N HA 0.169 4.909 4.740 -0.001 0.000 0.242 331 N C 0.993 176.493 175.510 -0.016 0.000 1.100 331 N CA 0.074 53.118 53.050 -0.010 0.000 0.946 331 N CB 0.891 39.361 38.487 -0.028 0.000 1.227 331 N HN -0.006 nan 8.380 nan 0.000 0.508 332 V N 3.814 123.716 119.914 -0.021 0.000 2.287 332 V HA -0.265 3.854 4.120 -0.001 0.000 0.248 332 V C 1.693 177.769 176.094 -0.029 0.000 1.053 332 V CA 1.764 64.041 62.300 -0.038 0.000 1.027 332 V CB -0.401 31.387 31.823 -0.058 0.000 0.646 332 V HN 0.573 nan 8.190 nan 0.000 0.447 333 E N 0.122 120.310 120.200 -0.021 0.000 2.085 333 E HA -0.238 4.112 4.350 -0.001 0.000 0.194 333 E C 1.899 178.491 176.600 -0.013 0.000 0.994 333 E CA 1.271 57.662 56.400 -0.014 0.000 0.801 333 E CB -0.534 29.160 29.700 -0.009 0.000 0.743 333 E HN 0.479 nan 8.360 nan 0.000 0.453 334 L N 0.479 121.693 121.223 -0.016 0.000 2.027 334 L HA -0.077 4.262 4.340 -0.001 0.000 0.206 334 L C 1.971 178.837 176.870 -0.008 0.000 1.074 334 L CA 1.491 56.321 54.840 -0.017 0.000 0.745 334 L CB -0.375 41.664 42.059 -0.034 0.000 0.898 334 L HN 0.139 nan 8.230 nan 0.000 0.433 335 I N -1.367 119.200 120.570 -0.005 0.000 2.118 335 I HA -0.341 3.829 4.170 -0.001 0.000 0.241 335 I C 2.359 178.486 176.117 0.017 0.000 1.070 335 I CA 1.623 62.932 61.300 0.015 0.000 1.327 335 I CB -0.614 37.396 38.000 0.018 0.000 1.034 335 I HN 0.105 nan 8.210 nan 0.000 0.405 336 V N 0.737 120.651 119.914 0.001 0.000 2.295 336 V HA -0.296 3.823 4.120 -0.001 0.000 0.246 336 V C 2.153 178.251 176.094 0.008 0.000 1.049 336 V CA 2.037 64.337 62.300 0.001 0.000 1.024 336 V CB -0.724 31.091 31.823 -0.013 0.000 0.648 336 V HN 0.401 nan 8.190 nan 0.000 0.447 337 D N 0.220 120.623 120.400 0.004 0.000 2.092 337 D HA -0.161 4.479 4.640 -0.001 0.000 0.193 337 D C 2.086 178.393 176.300 0.013 0.000 0.994 337 D CA 1.630 55.633 54.000 0.006 0.000 0.828 337 D CB -0.276 40.525 40.800 0.002 0.000 0.963 337 D HN 0.407 nan 8.370 nan 0.000 0.450 338 I N 1.172 121.753 120.570 0.019 0.000 2.208 338 I HA -0.276 3.894 4.170 -0.001 0.000 0.245 338 I C 2.530 178.671 176.117 0.039 0.000 1.097 338 I CA 1.120 62.440 61.300 0.033 0.000 1.363 338 I CB -0.328 37.699 38.000 0.044 0.000 1.051 338 I HN -0.074 nan 8.210 nan 0.000 0.413 339 A N 0.882 123.726 122.820 0.040 0.000 1.908 339 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 339 A C 2.341 179.941 177.584 0.026 0.000 1.181 339 A CA 1.714 53.777 52.037 0.042 0.000 0.627 339 A CB -0.461 18.567 19.000 0.047 0.000 0.818 339 A HN 0.344 nan 8.150 nan 0.000 0.445 340 K N -0.666 119.745 120.400 0.018 0.000 2.097 340 K HA -0.105 4.215 4.320 -0.001 0.000 0.205 340 K C 2.285 178.889 176.600 0.006 0.000 1.050 340 K CA 1.361 57.654 56.287 0.010 0.000 0.938 340 K CB -0.176 32.328 32.500 0.007 0.000 0.718 340 K HN 0.442 nan 8.250 nan 0.000 0.442 341 R N 0.405 120.910 120.500 0.009 0.000 2.092 341 R HA -0.089 4.251 4.340 -0.001 0.000 0.231 341 R C 2.232 178.529 176.300 -0.004 0.000 1.119 341 R CA 1.088 57.191 56.100 0.004 0.000 0.970 341 R CB -0.443 29.863 30.300 0.010 0.000 0.864 341 R HN 0.080 nan 8.270 nan 0.000 0.440 342 I N 1.231 121.801 120.570 0.000 0.000 2.142 342 I HA -0.134 4.035 4.170 -0.001 0.000 0.240 342 I C -1.069 175.025 176.117 -0.038 0.000 1.078 342 I CA 0.983 62.270 61.300 -0.022 0.000 1.343 342 I CB -1.145 36.849 38.000 -0.009 0.000 1.046 342 I HN 0.185 nan 8.210 nan 0.000 0.405 343 P HA 0.275 nan 4.420 nan 0.000 0.279 343 P C -0.572 176.721 177.300 -0.013 0.000 1.252 343 P CA -0.164 62.930 63.100 -0.011 0.000 0.811 343 P CB 1.432 33.127 31.700 -0.009 0.000 1.035 344 V N -0.572 119.343 119.914 0.003 0.000 3.096 344 V HA 0.358 4.477 4.120 -0.001 0.000 0.319 344 V C 1.020 177.114 176.094 -0.000 0.000 1.082 344 V CA -0.435 61.863 62.300 -0.003 0.000 1.022 344 V CB 1.374 33.210 31.823 0.021 0.000 1.103 344 V HN 0.609 nan 8.190 nan 0.000 0.455 345 Q N 1.068 120.862 119.800 -0.010 0.000 2.282 345 Q HA 0.576 4.916 4.340 -0.001 0.000 0.206 345 Q C 0.323 176.335 176.000 0.020 0.000 0.878 345 Q CA 0.621 56.426 55.803 0.002 0.000 0.944 345 Q CB 0.950 29.684 28.738 -0.007 0.000 1.100 345 Q HN 1.285 nan 8.270 nan 0.000 0.509 346 A N 0.171 123.009 122.820 0.030 0.000 2.605 346 A HA 0.618 4.938 4.320 -0.001 0.000 0.294 346 A C -1.445 176.204 177.584 0.109 0.000 1.062 346 A CA -0.561 51.515 52.037 0.065 0.000 0.682 346 A CB 1.744 20.767 19.000 0.038 0.000 1.278 346 A HN 0.004 nan 8.150 nan 0.000 0.410 347 V N 0.406 120.424 119.914 0.175 0.000 2.628 347 V HA 0.631 4.750 4.120 -0.001 0.000 0.306 347 V C -1.008 175.246 176.094 0.266 0.000 1.045 347 V CA -0.262 62.180 62.300 0.236 0.000 0.905 347 V CB 1.806 33.786 31.823 0.263 0.000 0.997 347 V HN 0.941 nan 8.190 nan 0.000 0.436 348 W N 3.884 125.216 121.300 0.054 0.000 2.471 348 W HA 0.665 5.324 4.660 -0.001 0.000 0.318 348 W C 0.334 176.854 176.519 0.002 0.000 1.034 348 W CA -0.342 56.980 57.345 -0.038 0.000 1.224 348 W CB 1.977 31.415 29.460 -0.036 0.000 1.335 348 W HN 0.638 nan 8.180 nan 0.000 0.452 349 A N 4.928 127.497 122.820 -0.417 0.000 2.252 349 A HA 0.489 4.808 4.320 -0.001 0.000 0.213 349 A C 1.487 178.485 177.584 -0.977 0.000 1.188 349 A CA 0.886 52.682 52.037 -0.402 0.000 0.863 349 A CB -0.774 18.198 19.000 -0.048 0.000 0.893 349 A HN 1.462 nan 8.150 nan 0.000 0.495 350 G N -0.188 107.352 108.800 -2.101 0.000 2.622 350 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.307 350 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.307 350 G C 0.062 174.579 174.900 -0.638 0.000 1.226 350 G CA 0.971 44.925 45.100 -1.911 0.000 0.997 350 G HN 1.588 nan 8.290 nan 0.000 0.551 351 W N -0.832 120.275 121.300 -0.321 0.000 2.882 351 W HA 0.726 5.386 4.660 -0.000 0.000 0.345 351 W C 0.585 177.013 176.519 -0.150 0.000 1.125 351 W CA -0.516 56.730 57.345 -0.164 0.000 1.167 351 W CB 0.887 30.307 29.460 -0.067 0.000 1.431 351 W HN 2.422 nan 8.180 nan 0.000 0.543 352 G N 0.777 109.618 108.800 0.069 0.000 2.741 352 G HA2 -0.030 3.929 3.960 -0.001 0.000 0.222 352 G HA3 -0.030 3.929 3.960 -0.001 0.000 0.222 352 G C 0.188 174.966 174.900 -0.203 0.000 1.364 352 G CA 0.168 45.172 45.100 -0.160 0.000 0.866 352 G HN 1.580 nan 8.290 nan 0.000 0.555 353 H N -2.086 116.984 119.070 -0.001 0.000 1.452 353 H HA -0.254 4.302 4.556 -0.001 0.000 0.090 353 H C 2.133 177.457 175.328 -0.006 0.000 1.010 353 H CA 2.406 58.460 56.048 0.009 0.000 1.901 353 H CB -1.605 28.165 29.762 0.013 0.000 2.257 353 H HN 2.038 nan 8.280 nan 0.000 0.961 354 A N 0.972 123.875 122.820 0.138 0.000 2.302 354 A HA 0.154 4.474 4.320 -0.001 0.000 0.219 354 A C 2.049 179.622 177.584 -0.018 0.000 1.243 354 A CA 0.996 53.047 52.037 0.025 0.000 0.856 354 A CB -0.529 18.467 19.000 -0.006 0.000 0.893 354 A HN 0.623 nan 8.150 nan 0.000 0.491 355 S N 0.241 115.942 115.700 0.001 0.000 2.440 355 S HA -0.165 4.304 4.470 -0.001 0.000 0.238 355 S C 0.897 175.512 174.600 0.025 0.000 1.010 355 S CA 1.478 59.689 58.200 0.017 0.000 0.972 355 S CB -0.296 62.874 63.200 -0.050 0.000 0.774 355 S HN 0.687 nan 8.310 nan 0.000 0.501 356 E N 1.049 121.238 120.200 -0.018 0.000 2.496 356 E HA 0.239 4.588 4.350 -0.001 0.000 0.200 356 E C -0.460 176.068 176.600 -0.120 0.000 1.016 356 E CA -0.355 56.020 56.400 -0.040 0.000 0.962 356 E CB 0.120 29.811 29.700 -0.015 0.000 1.071 356 E HN 0.317 nan 8.360 nan 0.000 0.457 357 N N 1.800 120.402 118.700 -0.163 0.000 2.462 357 N HA 0.112 4.852 4.740 -0.001 0.000 0.242 357 N C -2.019 173.256 175.510 -0.391 0.000 1.010 357 N CA -2.274 50.633 53.050 -0.240 0.000 0.939 357 N CB 1.352 39.738 38.487 -0.168 0.000 1.127 357 N HN -0.164 nan 8.380 nan 0.000 0.509 358 P HA -0.105 nan 4.420 nan 0.000 0.219 358 P C 0.754 177.680 177.300 -0.624 0.000 1.146 358 P CA 1.339 63.940 63.100 -0.832 0.000 0.808 358 P CB 0.399 31.045 31.700 -1.758 0.000 0.779 359 K N -1.052 119.077 120.400 -0.453 0.000 2.211 359 K HA -0.145 4.175 4.320 -0.001 0.000 0.204 359 K C 1.876 178.336 176.600 -0.233 0.000 1.047 359 K CA 0.877 57.036 56.287 -0.212 0.000 0.935 359 K CB -0.720 31.721 32.500 -0.099 0.000 0.728 359 K HN 0.109 nan 8.250 nan 0.000 0.452 360 L N 1.587 122.609 121.223 -0.336 0.000 2.005 360 L HA -0.073 4.266 4.340 -0.001 0.000 0.207 360 L C -1.247 175.332 176.870 -0.484 0.000 1.072 360 L CA 1.757 56.364 54.840 -0.388 0.000 0.744 360 L CB -0.999 40.770 42.059 -0.484 0.000 0.895 360 L HN 0.004 nan 8.230 nan 0.000 0.433 361 P HA -0.191 nan 4.420 nan 0.000 0.216 361 P C 1.464 178.631 177.300 -0.221 0.000 1.153 361 P CA 1.490 64.289 63.100 -0.502 0.000 0.848 361 P CB -0.019 31.418 31.700 -0.437 0.000 0.787 362 E N -0.091 119.992 120.200 -0.194 0.000 2.023 362 E HA -0.185 4.164 4.350 -0.001 0.000 0.196 362 E C 1.928 178.497 176.600 -0.052 0.000 1.003 362 E CA 1.256 57.612 56.400 -0.073 0.000 0.809 362 E CB -0.587 29.105 29.700 -0.013 0.000 0.755 362 E HN 0.126 nan 8.360 nan 0.000 0.449 363 L N 0.544 121.725 121.223 -0.071 0.000 2.109 363 L HA -0.139 4.201 4.340 -0.001 0.000 0.207 363 L C 2.620 179.465 176.870 -0.041 0.000 1.086 363 L CA 0.435 55.250 54.840 -0.042 0.000 0.760 363 L CB -0.268 41.766 42.059 -0.042 0.000 0.910 363 L HN 0.264 nan 8.230 nan 0.000 0.437 364 L N -0.879 120.304 121.223 -0.067 0.000 2.012 364 L HA -0.313 4.026 4.340 -0.001 0.000 0.210 364 L C 2.865 179.729 176.870 -0.010 0.000 1.073 364 L CA 1.365 56.185 54.840 -0.033 0.000 0.748 364 L CB -0.625 41.414 42.059 -0.034 0.000 0.891 364 L HN 0.461 nan 8.230 nan 0.000 0.431 365 C N 0.279 119.569 119.300 -0.017 0.000 2.446 365 C HA -0.176 4.284 4.460 -0.001 0.000 0.277 365 C C 2.945 177.937 174.990 0.003 0.000 1.275 365 C CA 0.965 59.983 59.018 0.001 0.000 1.727 365 C CB -0.644 27.095 27.740 -0.002 0.000 2.010 365 C HN 0.455 nan 8.230 nan 0.000 0.486 366 K N 0.215 120.615 120.400 -0.000 0.000 2.211 366 K HA -0.122 4.197 4.320 -0.001 0.000 0.204 366 K C 1.059 177.662 176.600 0.005 0.000 1.047 366 K CA 1.491 57.781 56.287 0.005 0.000 0.935 366 K CB -0.246 32.258 32.500 0.005 0.000 0.728 366 K HN 0.564 nan 8.250 nan 0.000 0.452 367 N N -0.349 118.353 118.700 0.003 0.000 2.251 367 N HA 0.049 4.789 4.740 -0.001 0.000 0.217 367 N C 0.216 175.731 175.510 0.009 0.000 1.124 367 N CA 0.776 53.829 53.050 0.005 0.000 0.843 367 N CB 1.288 39.777 38.487 0.003 0.000 1.024 367 N HN 0.422 nan 8.380 nan 0.000 0.501 368 G N 0.322 109.128 108.800 0.011 0.000 2.148 368 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.254 368 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.254 368 G C -0.079 174.832 174.900 0.019 0.000 0.981 368 G CA 0.181 45.289 45.100 0.014 0.000 0.670 368 G HN 0.186 nan 8.290 nan 0.000 0.528 369 V N 0.567 120.495 119.914 0.024 0.000 2.459 369 V HA 0.824 4.943 4.120 -0.001 0.000 0.295 369 V C 0.769 176.896 176.094 0.055 0.000 1.029 369 V CA -0.424 61.898 62.300 0.036 0.000 0.874 369 V CB 1.500 33.346 31.823 0.039 0.000 0.985 369 V HN 1.010 nan 8.190 nan 0.000 0.438 370 A N 4.200 127.059 122.820 0.064 0.000 2.287 370 A HA 0.789 5.109 4.320 -0.001 0.000 0.273 370 A C -0.951 176.731 177.584 0.163 0.000 1.091 370 A CA -0.180 51.907 52.037 0.084 0.000 0.817 370 A CB 0.580 19.608 19.000 0.048 0.000 1.069 370 A HN 0.750 nan 8.150 nan 0.000 0.492 371 F N 1.221 121.154 119.950 -0.027 0.000 2.493 371 F HA 0.449 4.975 4.527 -0.001 0.000 0.329 371 F C -0.367 175.415 175.800 -0.030 0.000 1.126 371 F CA -1.307 56.673 58.000 -0.033 0.000 0.937 371 F CB 1.440 40.399 39.000 -0.069 0.000 1.146 371 F HN 0.358 nan 8.300 nan 0.000 0.442 372 L N 7.050 127.935 121.223 -0.563 0.000 2.391 372 L HA 0.464 4.804 4.340 -0.001 0.000 0.249 372 L C 0.431 176.770 176.870 -0.884 0.000 1.308 372 L CA 0.068 54.629 54.840 -0.466 0.000 1.209 372 L CB -1.346 40.671 42.059 -0.070 0.000 1.401 372 L HN 0.857 nan 8.230 nan 0.000 0.416 373 G N 2.519 110.830 108.800 -0.815 0.000 2.349 373 G HA2 0.294 4.254 3.960 -0.001 0.000 0.294 373 G HA3 0.294 4.254 3.960 -0.001 0.000 0.294 373 G C -3.248 171.502 174.900 -0.250 0.000 1.380 373 G CA -0.646 44.071 45.100 -0.638 0.000 0.811 373 G HN 0.028 nan 8.290 nan 0.000 0.519 374 P HA 0.283 nan 4.420 nan 0.000 0.271 374 P C -2.457 174.792 177.300 -0.085 0.000 1.218 374 P CA -0.914 61.941 63.100 -0.409 0.000 0.780 374 P CB 0.612 31.837 31.700 -0.792 0.000 0.901 375 P HA -0.034 nan 4.420 nan 0.000 0.271 375 P C 1.080 178.336 177.300 -0.072 0.000 1.233 375 P CA 0.054 63.126 63.100 -0.046 0.000 0.789 375 P CB 0.222 31.898 31.700 -0.039 0.000 0.951 376 S N 0.495 116.146 115.700 -0.082 0.000 2.370 376 S HA -0.231 4.239 4.470 -0.001 0.000 0.226 376 S C 1.717 176.312 174.600 -0.009 0.000 1.033 376 S CA 1.360 59.472 58.200 -0.148 0.000 1.011 376 S CB -1.138 62.006 63.200 -0.093 0.000 0.852 376 S HN 0.706 nan 8.310 nan 0.000 0.457 377 E N 2.792 123.063 120.200 0.118 0.000 2.058 377 E HA -0.186 4.163 4.350 -0.001 0.000 0.194 377 E C 2.106 178.801 176.600 0.159 0.000 0.997 377 E CA 1.409 57.929 56.400 0.200 0.000 0.801 377 E CB -0.631 29.141 29.700 0.120 0.000 0.746 377 E HN 0.625 nan 8.360 nan 0.000 0.450 378 A N 0.816 123.683 122.820 0.079 0.000 2.067 378 A HA 0.048 4.367 4.320 -0.001 0.000 0.217 378 A C 2.253 179.903 177.584 0.111 0.000 1.156 378 A CA 0.952 53.048 52.037 0.098 0.000 0.683 378 A CB -0.336 18.698 19.000 0.057 0.000 0.808 378 A HN 0.256 nan 8.150 nan 0.000 0.455 379 M N -2.351 117.263 119.600 0.023 0.000 2.160 379 M HA -0.099 4.381 4.480 -0.001 0.000 0.264 379 M C 1.995 178.307 176.300 0.019 0.000 1.073 379 M CA 1.156 56.437 55.300 -0.031 0.000 1.142 379 M CB -0.346 32.126 32.600 -0.214 0.000 1.358 379 M HN 0.683 nan 8.290 nan 0.000 0.422 380 W N 0.205 121.517 121.300 0.021 0.000 2.387 380 W HA -0.167 4.493 4.660 -0.001 0.000 0.272 380 W C 2.421 178.954 176.519 0.023 0.000 1.224 380 W CA 0.752 58.106 57.345 0.015 0.000 1.210 380 W CB -0.182 29.282 29.460 0.006 0.000 1.125 380 W HN 0.266 nan 8.180 nan 0.000 0.572 381 A N -0.206 122.764 122.820 0.249 0.000 1.862 381 A HA 0.001 4.321 4.320 -0.001 0.000 0.211 381 A C 1.557 179.217 177.584 0.126 0.000 1.220 381 A CA 0.580 52.714 52.037 0.162 0.000 0.616 381 A CB -0.932 18.145 19.000 0.129 0.000 0.878 381 A HN 0.155 nan 8.150 nan 0.000 0.453 382 L N 0.995 122.294 121.223 0.126 0.000 2.821 382 L HA 0.070 4.410 4.340 -0.001 0.000 0.254 382 L C 1.951 178.883 176.870 0.104 0.000 1.151 382 L CA 0.040 54.949 54.840 0.116 0.000 0.937 382 L CB -0.998 41.138 42.059 0.129 0.000 1.141 382 L HN 0.494 nan 8.230 nan 0.000 0.425 383 G N 0.644 109.516 108.800 0.121 0.000 2.654 383 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.215 383 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.215 383 G C 0.336 175.297 174.900 0.103 0.000 1.310 383 G CA 0.120 45.294 45.100 0.124 0.000 0.866 383 G HN 0.460 nan 8.290 nan 0.000 0.558 384 D N -0.059 120.407 120.400 0.110 0.000 2.283 384 D HA 0.177 4.817 4.640 -0.001 0.000 0.248 384 D C 1.037 177.342 176.300 0.009 0.000 1.072 384 D CA -0.595 53.447 54.000 0.070 0.000 0.929 384 D CB 2.069 42.914 40.800 0.075 0.000 1.182 384 D HN 0.165 nan 8.370 nan 0.000 0.433 385 K N 1.304 121.693 120.400 -0.018 0.000 2.113 385 K HA -0.125 4.194 4.320 -0.001 0.000 0.208 385 K C 1.807 178.233 176.600 -0.290 0.000 1.047 385 K CA 1.235 57.460 56.287 -0.103 0.000 0.928 385 K CB -0.234 32.273 32.500 0.012 0.000 0.716 385 K HN 0.585 nan 8.250 nan 0.000 0.446 386 I N 0.132 120.480 120.570 -0.370 0.000 2.163 386 I HA -0.248 3.922 4.170 -0.001 0.000 0.240 386 I C 2.360 178.416 176.117 -0.102 0.000 1.081 386 I CA 1.246 62.336 61.300 -0.351 0.000 1.353 386 I CB -0.547 37.303 38.000 -0.250 0.000 1.054 386 I HN 0.272 nan 8.210 nan 0.000 0.407 387 A N -0.214 122.584 122.820 -0.037 0.000 1.940 387 A HA -0.240 4.079 4.320 -0.001 0.000 0.219 387 A C 2.500 180.089 177.584 0.007 0.000 1.176 387 A CA 2.299 54.345 52.037 0.016 0.000 0.631 387 A CB -0.755 18.269 19.000 0.039 0.000 0.814 387 A HN 0.406 nan 8.150 nan 0.000 0.446 388 S N -1.140 114.561 115.700 0.001 0.000 2.368 388 S HA -0.118 4.352 4.470 -0.001 0.000 0.224 388 S C 2.052 176.669 174.600 0.029 0.000 1.029 388 S CA 2.061 60.291 58.200 0.049 0.000 0.988 388 S CB -0.486 62.793 63.200 0.132 0.000 0.838 388 S HN 0.634 nan 8.310 nan 0.000 0.462 389 T N 1.510 116.035 114.554 -0.049 0.000 2.857 389 T HA -0.002 4.347 4.350 -0.001 0.000 0.266 389 T C 1.841 176.515 174.700 -0.043 0.000 1.048 389 T CA 1.242 63.261 62.100 -0.136 0.000 1.139 389 T CB -0.398 68.040 68.868 -0.717 0.000 0.874 389 T HN 0.242 nan 8.240 nan 0.000 0.455 390 V N 1.339 121.288 119.914 0.057 0.000 2.332 390 V HA -0.158 3.961 4.120 -0.001 0.000 0.248 390 V C 2.636 178.759 176.094 0.049 0.000 1.055 390 V CA 1.347 63.741 62.300 0.155 0.000 1.038 390 V CB -0.696 31.223 31.823 0.160 0.000 0.651 390 V HN 0.312 nan 8.190 nan 0.000 0.450 391 V N 0.070 119.973 119.914 -0.018 0.000 2.307 391 V HA -0.233 3.887 4.120 -0.001 0.000 0.245 391 V C 2.716 178.733 176.094 -0.128 0.000 1.045 391 V CA 1.933 64.197 62.300 -0.061 0.000 1.024 391 V CB -1.094 30.685 31.823 -0.074 0.000 0.651 391 V HN 0.558 nan 8.190 nan 0.000 0.449 392 A N -0.895 121.766 122.820 -0.266 0.000 1.892 392 A HA -0.359 3.961 4.320 -0.001 0.000 0.218 392 A C 2.165 179.676 177.584 -0.121 0.000 1.188 392 A CA 2.405 54.229 52.037 -0.355 0.000 0.631 392 A CB -0.608 17.962 19.000 -0.718 0.000 0.822 392 A HN 0.628 nan 8.150 nan 0.000 0.447 393 Q N -1.060 118.724 119.800 -0.026 0.000 2.061 393 Q HA -0.161 4.178 4.340 -0.001 0.000 0.204 393 Q C 2.378 178.406 176.000 0.046 0.000 0.984 393 Q CA 2.281 58.119 55.803 0.059 0.000 0.846 393 Q CB -0.411 28.416 28.738 0.147 0.000 0.902 393 Q HN 0.916 nan 8.270 nan 0.000 0.421 394 T N -1.443 113.129 114.554 0.030 0.000 2.962 394 T HA -0.054 4.296 4.350 -0.001 0.000 0.270 394 T C 1.550 176.261 174.700 0.018 0.000 1.088 394 T CA 0.696 62.813 62.100 0.028 0.000 1.127 394 T CB -0.091 68.791 68.868 0.022 0.000 0.883 394 T HN 0.176 nan 8.240 nan 0.000 0.493 395 L N -0.290 120.930 121.223 -0.004 0.000 2.591 395 L HA 0.290 4.630 4.340 -0.001 0.000 0.228 395 L C 1.342 178.231 176.870 0.032 0.000 1.133 395 L CA 0.195 55.033 54.840 -0.002 0.000 0.880 395 L CB -0.406 41.625 42.059 -0.046 0.000 1.033 395 L HN 0.343 nan 8.230 nan 0.000 0.450 396 Q N -0.850 118.978 119.800 0.047 0.000 2.466 396 Q HA -0.150 4.189 4.340 -0.001 0.000 0.248 396 Q C -0.510 175.564 176.000 0.123 0.000 0.791 396 Q CA 0.287 56.144 55.803 0.091 0.000 1.225 396 Q CB -1.403 27.408 28.738 0.122 0.000 1.418 396 Q HN 0.225 nan 8.270 nan 0.000 0.662 397 V N 2.440 122.388 119.914 0.055 0.000 2.455 397 V HA 0.327 4.446 4.120 -0.001 0.000 0.273 397 V C -1.694 174.440 176.094 0.066 0.000 1.045 397 V CA -0.946 61.393 62.300 0.065 0.000 0.976 397 V CB 0.662 32.469 31.823 -0.027 0.000 0.993 397 V HN 0.134 nan 8.190 nan 0.000 0.475 398 P HA 0.144 nan 4.420 nan 0.000 0.267 398 P C -0.133 177.232 177.300 0.109 0.000 1.205 398 P CA 0.223 63.282 63.100 -0.069 0.000 0.765 398 P CB 0.489 31.921 31.700 -0.448 0.000 0.828 399 T N 0.668 115.357 114.554 0.224 0.000 2.932 399 T HA 0.536 4.886 4.350 -0.001 0.000 0.289 399 T C 0.386 175.253 174.700 0.277 0.000 1.039 399 T CA -1.095 61.161 62.100 0.260 0.000 1.024 399 T CB 0.763 69.722 68.868 0.152 0.000 1.090 399 T HN 0.136 nan 8.240 nan 0.000 0.496 400 L N 2.823 124.083 121.223 0.061 0.000 2.485 400 L HA 0.273 4.612 4.340 -0.001 0.000 0.275 400 L C -1.706 175.226 176.870 0.104 0.000 1.207 400 L CA -1.744 53.015 54.840 -0.135 0.000 0.855 400 L CB 0.020 41.980 42.059 -0.165 0.000 1.114 400 L HN 0.524 nan 8.230 nan 0.000 0.485 401 P HA -0.042 nan 4.420 nan 0.000 0.265 401 P C -1.122 176.381 177.300 0.339 0.000 1.187 401 P CA 0.176 63.400 63.100 0.206 0.000 0.766 401 P CB 0.377 32.123 31.700 0.076 0.000 0.820 402 W N 0.635 121.953 121.300 0.029 0.000 2.959 402 W HA 0.225 4.885 4.660 -0.001 0.000 0.358 402 W C 0.569 177.134 176.519 0.076 0.000 1.228 402 W CA -0.583 56.804 57.345 0.071 0.000 1.183 402 W CB -0.207 29.337 29.460 0.139 0.000 1.467 402 W HN 0.364 nan 8.180 nan 0.000 0.578 403 S N 0.057 115.746 115.700 -0.017 0.000 2.419 403 S HA -0.053 4.416 4.470 -0.001 0.000 0.235 403 S C 1.458 175.683 174.600 -0.626 0.000 1.019 403 S CA 1.733 59.806 58.200 -0.212 0.000 0.982 403 S CB -0.779 62.428 63.200 0.012 0.000 0.789 403 S HN 1.019 nan 8.310 nan 0.000 0.490 404 G N 0.617 108.461 108.800 -1.593 0.000 3.434 404 G HA2 0.351 4.311 3.960 -0.001 0.000 0.258 404 G HA3 0.351 4.311 3.960 -0.001 0.000 0.258 404 G C -0.001 174.135 174.900 -1.274 0.000 1.128 404 G CA -0.472 43.601 45.100 -1.712 0.000 0.792 404 G HN 0.418 nan 8.290 nan 0.000 0.539 405 S N -0.019 115.073 115.700 -1.012 0.000 2.558 405 S HA 0.394 4.864 4.470 -0.001 0.000 0.293 405 S C 1.545 176.067 174.600 -0.129 0.000 1.292 405 S CA 1.103 59.155 58.200 -0.246 0.000 1.063 405 S CB 0.744 63.904 63.200 -0.066 0.000 0.831 405 S HN 1.245 nan 8.310 nan 0.000 0.499 406 G N 1.977 110.785 108.800 0.013 0.000 2.195 406 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.246 406 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.246 406 G C 0.006 174.908 174.900 0.003 0.000 0.984 406 G CA -0.237 44.865 45.100 0.005 0.000 0.633 406 G HN 0.573 nan 8.290 nan 0.000 0.525 407 L N 1.156 122.380 121.223 0.003 0.000 2.395 407 L HA 0.685 5.025 4.340 -0.001 0.000 0.269 407 L C 0.479 177.385 176.870 0.060 0.000 1.133 407 L CA -0.062 54.786 54.840 0.013 0.000 0.812 407 L CB 1.465 43.517 42.059 -0.012 0.000 1.125 407 L HN 0.155 nan 8.230 nan 0.000 0.452 408 T N 1.078 115.656 114.554 0.041 0.000 2.868 408 T HA 0.529 4.878 4.350 -0.001 0.000 0.306 408 T C -0.601 174.118 174.700 0.032 0.000 1.224 408 T CA -0.322 61.803 62.100 0.042 0.000 1.012 408 T CB 2.764 71.651 68.868 0.032 0.000 1.221 408 T HN 0.361 nan 8.240 nan 0.000 0.499 409 V N 0.419 120.351 119.914 0.030 0.000 3.856 409 V HA 0.577 4.697 4.120 -0.001 0.000 0.302 409 V C -0.463 175.642 176.094 0.019 0.000 1.389 409 V CA -0.802 61.511 62.300 0.022 0.000 0.964 409 V CB 1.651 33.487 31.823 0.022 0.000 1.227 409 V HN 1.010 nan 8.190 nan 0.000 0.474 432 G N 0.982 109.706 108.800 -0.127 0.000 3.440 432 G HA2 0.198 4.158 3.960 -0.001 0.000 0.263 432 G HA3 0.198 4.158 3.960 -0.001 0.000 0.263 432 G C 0.137 175.001 174.900 -0.060 0.000 1.236 432 G CA 0.071 45.015 45.100 -0.259 0.000 0.927 432 G HN 0.181 nan 8.290 nan 0.000 0.530 433 C N -0.179 119.141 119.300 0.034 0.000 2.562 433 C HA 0.751 5.211 4.460 -0.001 0.000 0.332 433 C C 0.281 175.348 174.990 0.129 0.000 1.201 433 C CA -0.901 58.202 59.018 0.142 0.000 1.803 433 C CB 1.461 29.289 27.740 0.146 0.000 2.328 433 C HN 0.360 nan 8.230 nan 0.000 0.500 434 V N 0.903 120.940 119.914 0.204 0.000 2.581 434 V HA 0.572 4.692 4.120 -0.001 0.000 0.303 434 V C 0.073 176.334 176.094 0.278 0.000 1.041 434 V CA -0.513 61.917 62.300 0.217 0.000 0.907 434 V CB 1.434 33.426 31.823 0.281 0.000 0.994 434 V HN 0.948 nan 8.190 nan 0.000 0.442 435 K N 1.507 122.024 120.400 0.195 0.000 2.202 435 K HA 0.194 4.513 4.320 -0.001 0.000 0.201 435 K C 0.024 176.762 176.600 0.230 0.000 1.051 435 K CA 0.890 57.288 56.287 0.184 0.000 0.977 435 K CB 0.158 32.718 32.500 0.100 0.000 0.792 435 K HN 0.998 nan 8.250 nan 0.000 0.469 436 D N -1.461 119.004 120.400 0.109 0.000 2.610 436 D HA 0.040 4.680 4.640 -0.001 0.000 0.271 436 D C 0.940 176.983 176.300 -0.428 0.000 1.174 436 D CA -0.699 53.286 54.000 -0.025 0.000 0.949 436 D CB 1.106 41.903 40.800 -0.005 0.000 1.430 436 D HN -0.271 nan 8.370 nan 0.000 0.467 437 V N 0.618 120.247 119.914 -0.476 0.000 2.546 437 V HA -0.236 3.883 4.120 -0.001 0.000 0.254 437 V C 1.414 177.368 176.094 -0.233 0.000 1.076 437 V CA 2.269 64.269 62.300 -0.500 0.000 1.087 437 V CB -0.557 31.160 31.823 -0.177 0.000 0.674 437 V HN 0.546 nan 8.190 nan 0.000 0.470 438 D N -0.633 119.671 120.400 -0.159 0.000 2.149 438 D HA -0.084 4.555 4.640 -0.001 0.000 0.206 438 D C 2.170 178.409 176.300 -0.102 0.000 0.967 438 D CA 0.803 54.742 54.000 -0.101 0.000 0.848 438 D CB -0.136 40.627 40.800 -0.063 0.000 0.998 438 D HN 0.500 nan 8.370 nan 0.000 0.474 439 E N 0.822 120.972 120.200 -0.083 0.000 2.130 439 E HA -0.154 4.195 4.350 -0.001 0.000 0.196 439 E C 2.130 178.690 176.600 -0.067 0.000 0.998 439 E CA 1.080 57.448 56.400 -0.053 0.000 0.806 439 E CB -0.219 29.477 29.700 -0.006 0.000 0.738 439 E HN 0.258 nan 8.360 nan 0.000 0.459 440 G N 1.368 110.107 108.800 -0.102 0.000 2.421 440 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.216 440 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.216 440 G C 1.612 176.295 174.900 -0.361 0.000 1.171 440 G CA 0.471 45.555 45.100 -0.028 0.000 0.775 440 G HN 0.106 nan 8.290 nan 0.000 0.543 441 L N -0.094 120.898 121.223 -0.386 0.000 2.093 441 L HA -0.007 4.333 4.340 -0.001 0.000 0.208 441 L C 2.880 179.596 176.870 -0.256 0.000 1.085 441 L CA 0.919 55.495 54.840 -0.439 0.000 0.755 441 L CB -0.320 41.602 42.059 -0.228 0.000 0.904 441 L HN 0.287 nan 8.230 nan 0.000 0.435 442 E N 0.113 120.212 120.200 -0.168 0.000 2.072 442 E HA -0.205 4.145 4.350 -0.001 0.000 0.191 442 E C 2.292 178.822 176.600 -0.117 0.000 0.985 442 E CA 1.160 57.492 56.400 -0.113 0.000 0.801 442 E CB -0.055 29.598 29.700 -0.079 0.000 0.750 442 E HN 0.482 nan 8.360 nan 0.000 0.452 443 A N 1.362 124.108 122.820 -0.123 0.000 1.933 443 A HA -0.092 4.227 4.320 -0.001 0.000 0.218 443 A C 2.348 179.834 177.584 -0.163 0.000 1.175 443 A CA 1.627 53.599 52.037 -0.109 0.000 0.628 443 A CB -0.467 18.498 19.000 -0.058 0.000 0.814 443 A HN 0.291 nan 8.150 nan 0.000 0.444 444 A N -0.218 122.439 122.820 -0.271 0.000 1.969 444 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 444 A C 1.867 179.277 177.584 -0.291 0.000 1.169 444 A CA 1.546 53.330 52.037 -0.421 0.000 0.635 444 A CB -0.475 18.128 19.000 -0.662 0.000 0.810 444 A HN 0.636 nan 8.150 nan 0.000 0.445 445 E N -0.354 119.765 120.200 -0.134 0.000 2.110 445 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 445 E C 2.296 178.865 176.600 -0.051 0.000 0.988 445 E CA 1.283 57.661 56.400 -0.037 0.000 0.804 445 E CB -0.135 29.546 29.700 -0.031 0.000 0.745 445 E HN 0.593 nan 8.360 nan 0.000 0.458 446 R N 0.145 120.599 120.500 -0.077 0.000 2.093 446 R HA 0.032 4.372 4.340 -0.001 0.000 0.224 446 R C 2.395 178.655 176.300 -0.066 0.000 1.101 446 R CA 0.748 56.813 56.100 -0.058 0.000 0.979 446 R CB -0.212 30.054 30.300 -0.056 0.000 0.877 446 R HN 0.188 nan 8.270 nan 0.000 0.441 447 I N 0.644 121.149 120.570 -0.109 0.000 2.202 447 I HA -0.063 4.107 4.170 -0.001 0.000 0.242 447 I C 1.084 177.125 176.117 -0.127 0.000 1.091 447 I CA 1.126 62.361 61.300 -0.108 0.000 1.368 447 I CB -0.525 37.392 38.000 -0.138 0.000 1.058 447 I HN 0.348 nan 8.210 nan 0.000 0.410 448 G N 0.285 108.963 108.800 -0.204 0.000 2.663 448 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.686 448 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.686 448 G C -0.862 173.871 174.900 -0.277 0.000 1.246 448 G CA -0.926 44.099 45.100 -0.126 0.000 0.795 448 G HN 0.028 nan 8.290 nan 0.000 0.627 449 F N 1.501 121.460 119.950 0.014 0.000 2.507 449 F HA 0.707 5.233 4.527 -0.001 0.000 0.327 449 F C -1.270 174.541 175.800 0.019 0.000 1.068 449 F CA -1.605 56.411 58.000 0.027 0.000 0.965 449 F CB 2.195 41.214 39.000 0.031 0.000 1.192 449 F HN 0.436 nan 8.300 nan 0.000 0.476 450 P HA 0.392 nan 4.420 nan 0.000 0.278 450 P C -1.408 175.939 177.300 0.079 0.000 1.238 450 P CA -0.259 62.977 63.100 0.226 0.000 0.794 450 P CB 1.232 33.020 31.700 0.148 0.000 0.955 451 L N -0.007 121.256 121.223 0.066 0.000 2.277 451 L HA 0.795 5.135 4.340 -0.001 0.000 0.254 451 L C -0.030 176.869 176.870 0.048 0.000 1.044 451 L CA -1.516 53.321 54.840 -0.004 0.000 0.842 451 L CB 0.668 42.655 42.059 -0.120 0.000 1.422 451 L HN 0.409 nan 8.230 nan 0.000 0.422 452 M N 0.383 119.991 119.600 0.014 0.000 2.436 452 M HA 0.759 5.238 4.480 -0.001 0.000 0.331 452 M C -1.365 174.886 176.300 -0.081 0.000 1.135 452 M CA -0.344 54.941 55.300 -0.025 0.000 0.987 452 M CB 1.777 34.345 32.600 -0.053 0.000 1.687 452 M HN 0.493 nan 8.290 nan 0.000 0.445 453 I N 2.902 123.403 120.570 -0.114 0.000 2.321 453 I HA 0.490 4.659 4.170 -0.001 0.000 0.291 453 I C -0.559 175.365 176.117 -0.322 0.000 0.998 453 I CA -0.510 60.668 61.300 -0.203 0.000 1.227 453 I CB 1.243 39.112 38.000 -0.218 0.000 1.368 453 I HN 0.733 nan 8.210 nan 0.000 0.466 454 K N 5.943 126.033 120.400 -0.517 0.000 2.507 454 K HA 0.681 5.000 4.320 -0.001 0.000 0.252 454 K C -0.973 175.421 176.600 -0.344 0.000 0.943 454 K CA -0.386 55.606 56.287 -0.491 0.000 0.808 454 K CB 1.853 33.956 32.500 -0.663 0.000 1.142 454 K HN 0.638 nan 8.250 nan 0.000 0.426 455 A N 2.908 125.631 122.820 -0.160 0.000 2.451 455 A HA 0.230 4.550 4.320 -0.001 0.000 0.266 455 A C 0.938 178.579 177.584 0.094 0.000 1.119 455 A CA 0.282 52.293 52.037 -0.043 0.000 0.786 455 A CB -0.026 18.935 19.000 -0.065 0.000 1.061 455 A HN 0.984 nan 8.150 nan 0.000 0.503 456 S N 1.858 117.688 115.700 0.217 0.000 2.515 456 S HA -0.036 4.434 4.470 -0.001 0.000 0.231 456 S C 0.510 175.198 174.600 0.148 0.000 0.987 456 S CA 0.832 59.194 58.200 0.271 0.000 0.936 456 S CB -0.206 63.157 63.200 0.272 0.000 0.766 456 S HN 0.790 nan 8.310 nan 0.000 0.528 462 K N 0.314 120.710 120.400 -0.007 0.000 2.313 462 K HA 0.744 5.064 4.320 -0.001 0.000 0.235 462 K C 0.284 176.868 176.600 -0.027 0.000 1.035 462 K CA -0.089 56.186 56.287 -0.020 0.000 0.868 462 K CB 1.266 33.752 32.500 -0.023 0.000 1.232 462 K HN 1.636 nan 8.250 nan 0.000 0.459 463 G N 0.701 109.472 108.800 -0.048 0.000 2.244 463 G HA2 0.010 3.970 3.960 -0.001 0.000 0.163 463 G HA3 0.010 3.970 3.960 -0.001 0.000 0.163 463 G C -0.546 174.292 174.900 -0.104 0.000 1.064 463 G CA -0.558 44.501 45.100 -0.069 0.000 0.757 463 G HN 0.270 nan 8.290 nan 0.000 0.484 464 I N 0.461 120.974 120.570 -0.095 0.000 2.499 464 I HA 0.583 4.753 4.170 -0.001 0.000 0.288 464 I C -0.536 175.524 176.117 -0.096 0.000 1.048 464 I CA -1.035 60.199 61.300 -0.110 0.000 1.062 464 I CB 2.070 40.021 38.000 -0.080 0.000 1.238 464 I HN -0.106 nan 8.210 nan 0.000 0.426 465 R N 4.536 124.970 120.500 -0.111 0.000 2.562 465 R HA 0.498 4.838 4.340 -0.001 0.000 0.298 465 R C -0.825 175.447 176.300 -0.047 0.000 0.961 465 R CA -0.959 55.094 56.100 -0.078 0.000 0.881 465 R CB 2.125 32.367 30.300 -0.096 0.000 1.159 465 R HN 0.507 nan 8.270 nan 0.000 0.450 466 K N 1.354 121.746 120.400 -0.014 0.000 2.253 466 K HA 0.524 4.844 4.320 -0.001 0.000 0.277 466 K C -0.511 176.129 176.600 0.066 0.000 1.053 466 K CA -0.303 55.998 56.287 0.024 0.000 0.892 466 K CB 1.717 34.229 32.500 0.020 0.000 1.102 466 K HN 0.603 nan 8.250 nan 0.000 0.469 467 A N 3.248 126.154 122.820 0.142 0.000 2.288 467 A HA 0.221 4.540 4.320 -0.001 0.000 0.320 467 A C 0.264 178.044 177.584 0.327 0.000 1.217 467 A CA -0.569 51.611 52.037 0.238 0.000 0.840 467 A CB 0.546 19.782 19.000 0.393 0.000 1.179 467 A HN 0.896 nan 8.150 nan 0.000 0.504 468 E N 0.774 121.088 120.200 0.191 0.000 2.415 468 E HA 0.088 4.438 4.350 -0.001 0.000 0.197 468 E C 0.354 176.943 176.600 -0.018 0.000 1.007 468 E CA 0.801 57.287 56.400 0.142 0.000 0.890 468 E CB 0.320 30.054 29.700 0.056 0.000 0.891 468 E HN 0.780 nan 8.360 nan 0.000 0.496 469 S N -1.799 113.730 115.700 -0.286 0.000 2.615 469 S HA 0.512 4.981 4.470 -0.001 0.000 0.269 469 S C 0.486 174.465 174.600 -1.036 0.000 1.161 469 S CA -0.351 57.314 58.200 -0.891 0.000 0.817 469 S CB 1.187 64.145 63.200 -0.403 0.000 1.131 469 S HN -0.047 nan 8.310 nan 0.000 0.467 470 A N 0.437 122.587 122.820 -1.116 0.000 2.125 470 A HA 0.014 4.333 4.320 -0.001 0.000 0.219 470 A C 1.769 179.275 177.584 -0.129 0.000 1.156 470 A CA 1.649 53.419 52.037 -0.444 0.000 0.671 470 A CB -0.941 17.904 19.000 -0.258 0.000 0.794 470 A HN 0.861 nan 8.150 nan 0.000 0.459 471 E N -0.310 119.797 120.200 -0.155 0.000 2.112 471 E HA -0.124 4.226 4.350 -0.001 0.000 0.190 471 E C 0.776 177.376 176.600 0.001 0.000 0.979 471 E CA 1.000 57.367 56.400 -0.055 0.000 0.814 471 E CB -0.056 29.604 29.700 -0.066 0.000 0.762 471 E HN 0.538 nan 8.360 nan 0.000 0.460 472 D N -0.187 120.210 120.400 -0.005 0.000 2.347 472 D HA -0.057 4.582 4.640 -0.001 0.000 0.213 472 D C 1.356 177.723 176.300 0.113 0.000 0.985 472 D CA 0.183 54.206 54.000 0.039 0.000 0.879 472 D CB -0.029 40.788 40.800 0.028 0.000 0.919 472 D HN 0.088 nan 8.370 nan 0.000 0.526 473 F N 2.038 122.011 119.950 0.039 0.000 2.084 473 F HA -0.046 4.480 4.527 -0.001 0.000 0.296 473 F C -0.883 174.996 175.800 0.132 0.000 1.111 473 F CA 1.030 59.113 58.000 0.139 0.000 1.224 473 F CB -0.935 38.191 39.000 0.209 0.000 0.991 473 F HN -0.053 nan 8.300 nan 0.000 0.471 474 P HA -0.209 nan 4.420 nan 0.000 0.215 474 P C 2.070 179.402 177.300 0.053 0.000 1.157 474 P CA 1.837 65.020 63.100 0.139 0.000 0.868 474 P CB -0.136 31.639 31.700 0.126 0.000 0.788 475 I N -1.657 118.935 120.570 0.036 0.000 2.546 475 I HA -0.128 4.042 4.170 -0.001 0.000 0.255 475 I C 1.816 177.928 176.117 -0.008 0.000 1.163 475 I CA 1.004 62.315 61.300 0.019 0.000 1.457 475 I CB -0.067 37.941 38.000 0.014 0.000 1.092 475 I HN -0.150 nan 8.210 nan 0.000 0.434 476 L N -0.784 120.411 121.223 -0.046 0.000 2.270 476 L HA -0.107 4.233 4.340 -0.001 0.000 0.210 476 L C 2.220 179.005 176.870 -0.141 0.000 1.104 476 L CA 0.675 55.463 54.840 -0.088 0.000 0.804 476 L CB -0.429 41.576 42.059 -0.090 0.000 0.937 476 L HN 0.229 nan 8.230 nan 0.000 0.450 477 F N 1.049 120.777 119.950 -0.369 0.000 2.113 477 F HA -0.185 4.341 4.527 -0.001 0.000 0.297 477 F C 2.697 178.394 175.800 -0.172 0.000 1.103 477 F CA 1.472 59.252 58.000 -0.367 0.000 1.248 477 F CB -0.015 38.684 39.000 -0.501 0.000 0.999 477 F HN -0.131 nan 8.300 nan 0.000 0.475 478 R N -0.002 120.583 120.500 0.143 0.000 2.120 478 R HA -0.167 4.172 4.340 -0.001 0.000 0.234 478 R C 2.125 178.415 176.300 -0.017 0.000 1.123 478 R CA 1.574 57.729 56.100 0.091 0.000 0.975 478 R CB -0.580 29.771 30.300 0.085 0.000 0.866 478 R HN 0.502 nan 8.270 nan 0.000 0.446 479 Q N 0.213 119.984 119.800 -0.049 0.000 2.084 479 Q HA -0.107 4.232 4.340 -0.001 0.000 0.202 479 Q C 2.249 178.187 176.000 -0.103 0.000 0.978 479 Q CA 1.417 57.181 55.803 -0.064 0.000 0.844 479 Q CB -0.064 28.636 28.738 -0.062 0.000 0.898 479 Q HN 0.180 nan 8.270 nan 0.000 0.426 480 V N 1.231 121.039 119.914 -0.176 0.000 2.358 480 V HA -0.258 3.862 4.120 -0.001 0.000 0.246 480 V C 2.185 178.166 176.094 -0.188 0.000 1.047 480 V CA 1.753 63.926 62.300 -0.212 0.000 1.035 480 V CB -0.525 31.096 31.823 -0.337 0.000 0.658 480 V HN 0.365 nan 8.190 nan 0.000 0.452 481 Q N -0.564 119.111 119.800 -0.208 0.000 2.167 481 Q HA -0.167 4.173 4.340 -0.001 0.000 0.202 481 Q C 2.542 178.508 176.000 -0.056 0.000 0.970 481 Q CA 1.704 57.432 55.803 -0.124 0.000 0.855 481 Q CB -0.221 28.480 28.738 -0.062 0.000 0.911 481 Q HN 0.632 nan 8.270 nan 0.000 0.438 482 S N 0.607 116.279 115.700 -0.047 0.000 2.387 482 S HA -0.191 4.278 4.470 -0.001 0.000 0.226 482 S C 1.820 176.400 174.600 -0.032 0.000 1.026 482 S CA 1.281 59.465 58.200 -0.027 0.000 0.972 482 S CB -0.006 63.183 63.200 -0.019 0.000 0.814 482 S HN 0.413 nan 8.310 nan 0.000 0.477 483 E N -0.096 120.075 120.200 -0.049 0.000 2.072 483 E HA 0.044 4.393 4.350 -0.001 0.000 0.190 483 E C 0.056 176.635 176.600 -0.035 0.000 0.982 483 E CA 0.851 57.226 56.400 -0.042 0.000 0.803 483 E CB 0.113 29.780 29.700 -0.054 0.000 0.755 483 E HN 0.567 nan 8.360 nan 0.000 0.453 484 I N 2.285 122.828 120.570 -0.045 0.000 2.782 484 I HA 0.278 4.448 4.170 -0.001 0.000 0.279 484 I C -2.482 173.619 176.117 -0.027 0.000 1.247 484 I CA -2.169 59.113 61.300 -0.030 0.000 1.062 484 I CB 1.511 39.493 38.000 -0.030 0.000 1.421 484 I HN -0.120 nan 8.210 nan 0.000 0.558 485 P HA 0.072 nan 4.420 nan 0.000 0.264 485 P C 1.089 178.390 177.300 0.002 0.000 1.193 485 P CA 0.927 64.023 63.100 -0.006 0.000 0.763 485 P CB 0.692 32.392 31.700 0.000 0.000 0.810 486 G N 1.933 110.737 108.800 0.008 0.000 2.234 486 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.260 486 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.260 486 G C 0.575 175.488 174.900 0.021 0.000 0.987 486 G CA 0.279 45.390 45.100 0.019 0.000 0.625 486 G HN 0.779 nan 8.290 nan 0.000 0.532 487 S N 1.770 117.477 115.700 0.011 0.000 2.562 487 S HA 0.511 4.981 4.470 -0.001 0.000 0.281 487 S C -1.741 172.881 174.600 0.036 0.000 1.333 487 S CA -0.445 57.769 58.200 0.023 0.000 1.052 487 S CB 0.701 63.908 63.200 0.012 0.000 0.884 487 S HN 0.213 nan 8.310 nan 0.000 0.506 488 P HA 0.250 nan 4.420 nan 0.000 0.265 488 P C -0.892 176.485 177.300 0.128 0.000 1.193 488 P CA 0.164 63.326 63.100 0.104 0.000 0.765 488 P CB 0.249 32.019 31.700 0.117 0.000 0.823 489 I N 3.806 124.456 120.570 0.133 0.000 2.509 489 I HA 0.478 4.647 4.170 -0.001 0.000 0.293 489 I C -0.177 176.092 176.117 0.255 0.000 1.020 489 I CA -0.920 60.435 61.300 0.092 0.000 1.088 489 I CB 1.166 39.088 38.000 -0.131 0.000 1.267 489 I HN 0.296 nan 8.210 nan 0.000 0.430 490 F N 5.535 125.559 119.950 0.123 0.000 2.593 490 F HA 0.815 5.341 4.527 -0.001 0.000 0.320 490 F C -1.723 174.205 175.800 0.213 0.000 1.060 490 F CA -1.148 56.968 58.000 0.194 0.000 0.940 490 F CB 1.079 40.253 39.000 0.290 0.000 1.268 490 F HN 0.103 nan 8.300 nan 0.000 0.475 491 L N 3.670 125.067 121.223 0.290 0.000 2.329 491 L HA 0.658 4.997 4.340 -0.001 0.000 0.279 491 L C -0.581 176.495 176.870 0.343 0.000 1.014 491 L CA -0.792 54.151 54.840 0.171 0.000 0.814 491 L CB 1.915 44.087 42.059 0.189 0.000 1.257 491 L HN 0.874 nan 8.230 nan 0.000 0.424 492 M N 2.848 122.570 119.600 0.204 0.000 2.446 492 M HA 0.391 4.871 4.480 -0.001 0.000 0.294 492 M C -0.854 175.501 176.300 0.093 0.000 1.158 492 M CA -0.756 54.698 55.300 0.257 0.000 0.899 492 M CB 2.600 35.362 32.600 0.270 0.000 1.687 492 M HN 0.481 nan 8.290 nan 0.000 0.455 493 K N 3.751 124.189 120.400 0.065 0.000 2.350 493 K HA 0.388 4.708 4.320 -0.001 0.000 0.279 493 K C -1.430 175.158 176.600 -0.020 0.000 1.027 493 K CA -0.218 56.063 56.287 -0.011 0.000 0.969 493 K CB 0.550 33.028 32.500 -0.038 0.000 0.954 493 K HN 0.713 nan 8.250 nan 0.000 0.474 494 L N 3.941 125.155 121.223 -0.015 0.000 2.290 494 L HA 0.337 4.677 4.340 -0.001 0.000 0.284 494 L C 0.215 177.071 176.870 -0.025 0.000 1.078 494 L CA -0.948 53.886 54.840 -0.010 0.000 0.815 494 L CB 1.336 43.400 42.059 0.009 0.000 1.162 494 L HN 0.761 nan 8.230 nan 0.000 0.435 495 A N 4.552 127.354 122.820 -0.031 0.000 2.404 495 A HA 0.263 4.582 4.320 -0.001 0.000 0.273 495 A C 0.056 177.629 177.584 -0.017 0.000 1.144 495 A CA -0.296 51.725 52.037 -0.027 0.000 0.806 495 A CB 0.077 19.063 19.000 -0.022 0.000 1.080 495 A HN 0.763 nan 8.150 nan 0.000 0.509 496 Q N 1.461 121.233 119.800 -0.047 0.000 2.267 496 Q HA 0.313 4.653 4.340 -0.001 0.000 0.255 496 Q C -0.453 175.500 176.000 -0.079 0.000 0.923 496 Q CA -0.529 55.163 55.803 -0.185 0.000 0.925 496 Q CB 0.655 29.215 28.738 -0.296 0.000 1.195 496 Q HN 0.891 nan 8.270 nan 0.000 0.417 497 H N -1.477 117.634 119.070 0.070 0.000 3.132 497 H HA -0.161 4.395 4.556 -0.000 0.000 0.237 497 H C -0.616 174.758 175.328 0.077 0.000 1.189 497 H CA 0.732 56.821 56.048 0.069 0.000 1.129 497 H CB -1.619 28.173 29.762 0.049 0.000 1.225 497 H HN 0.689 nan 8.280 nan 0.000 0.323 498 A N 1.454 124.377 122.820 0.173 0.000 2.303 498 A HA 0.639 4.959 4.320 -0.001 0.000 0.317 498 A C 0.812 178.523 177.584 0.210 0.000 1.149 498 A CA -0.707 51.418 52.037 0.147 0.000 0.822 498 A CB 1.140 20.191 19.000 0.085 0.000 1.131 498 A HN 0.174 nan 8.150 nan 0.000 0.493 499 R N 1.245 121.886 120.500 0.235 0.000 2.582 499 R HA 0.255 4.595 4.340 -0.001 0.000 0.271 499 R C -0.600 175.861 176.300 0.270 0.000 1.078 499 R CA -0.011 56.267 56.100 0.296 0.000 1.127 499 R CB 0.227 30.723 30.300 0.326 0.000 1.038 499 R HN 0.780 nan 8.270 nan 0.000 0.500 500 H N 2.327 121.502 119.070 0.176 0.000 2.541 500 H HA 0.361 4.917 4.556 -0.001 0.000 0.316 500 H C -0.255 175.174 175.328 0.169 0.000 1.043 500 H CA -0.490 55.657 56.048 0.166 0.000 1.232 500 H CB 1.338 31.165 29.762 0.108 0.000 1.406 500 H HN 0.118 nan 8.280 nan 0.000 0.469 501 L N 3.052 124.443 121.223 0.280 0.000 2.346 501 L HA 0.404 4.743 4.340 -0.001 0.000 0.274 501 L C 0.028 177.080 176.870 0.303 0.000 1.007 501 L CA -0.675 54.323 54.840 0.264 0.000 0.818 501 L CB 2.317 44.534 42.059 0.264 0.000 1.284 501 L HN 0.521 nan 8.230 nan 0.000 0.424 502 E N 1.573 121.931 120.200 0.263 0.000 2.212 502 E HA 0.504 4.854 4.350 -0.001 0.000 0.268 502 E C -1.306 175.477 176.600 0.306 0.000 0.902 502 E CA -0.786 55.749 56.400 0.224 0.000 0.779 502 E CB 3.176 32.958 29.700 0.136 0.000 1.172 502 E HN 0.193 nan 8.360 nan 0.000 0.409 503 V N 2.792 122.855 119.914 0.247 0.000 2.394 503 V HA 0.131 4.250 4.120 -0.001 0.000 0.282 503 V C -0.182 175.972 176.094 0.101 0.000 1.031 503 V CA -0.675 61.748 62.300 0.205 0.000 0.881 503 V CB 1.387 33.279 31.823 0.114 0.000 0.982 503 V HN 0.606 nan 8.190 nan 0.000 0.451 504 Q N 4.566 124.432 119.800 0.111 0.000 2.288 504 Q HA 0.564 4.904 4.340 -0.001 0.000 0.258 504 Q C -0.742 175.259 176.000 0.002 0.000 0.957 504 Q CA -0.045 55.791 55.803 0.056 0.000 0.919 504 Q CB 1.048 29.836 28.738 0.084 0.000 1.185 504 Q HN 0.743 nan 8.270 nan 0.000 0.408 505 I N 1.081 121.631 120.570 -0.033 0.000 2.740 505 I HA 0.742 4.912 4.170 -0.001 0.000 0.303 505 I C -1.609 174.486 176.117 -0.036 0.000 1.044 505 I CA -1.283 59.980 61.300 -0.063 0.000 1.064 505 I CB 1.787 39.721 38.000 -0.110 0.000 1.249 505 I HN 0.537 nan 8.210 nan 0.000 0.433 506 L N 4.160 125.351 121.223 -0.053 0.000 2.436 506 L HA 0.944 5.284 4.340 -0.001 0.000 0.268 506 L C -0.940 175.902 176.870 -0.047 0.000 0.974 506 L CA -0.310 54.510 54.840 -0.033 0.000 0.826 506 L CB 1.668 43.681 42.059 -0.077 0.000 1.291 506 L HN 1.033 nan 8.230 nan 0.000 0.406 507 A N 2.830 125.665 122.820 0.026 0.000 2.414 507 A HA 0.763 5.083 4.320 -0.001 0.000 0.306 507 A C -1.207 176.376 177.584 -0.002 0.000 1.054 507 A CA -0.488 51.567 52.037 0.029 0.000 0.724 507 A CB 1.179 20.263 19.000 0.140 0.000 1.267 507 A HN 0.769 nan 8.150 nan 0.000 0.418 508 D N 0.259 120.657 120.400 -0.004 0.000 2.530 508 D HA 0.285 4.925 4.640 -0.001 0.000 0.282 508 D C 0.431 176.656 176.300 -0.125 0.000 1.204 508 D CA -0.206 53.774 54.000 -0.033 0.000 1.093 508 D CB 0.308 41.153 40.800 0.075 0.000 1.154 508 D HN 0.407 nan 8.370 nan 0.000 0.593 509 Q N -1.752 117.837 119.800 -0.350 0.000 2.280 509 Q HA 0.112 4.452 4.340 -0.001 0.000 0.201 509 Q C -0.269 175.368 176.000 -0.605 0.000 0.890 509 Q CA 0.116 55.606 55.803 -0.522 0.000 0.947 509 Q CB 0.128 28.468 28.738 -0.664 0.000 1.081 509 Q HN 0.480 nan 8.270 nan 0.000 0.502 510 Y N -1.045 119.283 120.300 0.046 0.000 2.734 510 Y HA 0.333 4.882 4.550 -0.001 0.000 0.278 510 Y C 1.201 177.139 175.900 0.063 0.000 1.108 510 Y CA -0.305 57.830 58.100 0.058 0.000 1.211 510 Y CB 0.860 39.366 38.460 0.077 0.000 1.182 510 Y HN 0.126 nan 8.280 nan 0.000 0.547 511 G N 0.596 109.468 108.800 0.120 0.000 2.168 511 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.257 511 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.257 511 G C -0.226 174.748 174.900 0.123 0.000 0.997 511 G CA -0.059 45.104 45.100 0.106 0.000 0.708 511 G HN 0.355 nan 8.290 nan 0.000 0.520 512 N N 0.550 119.340 118.700 0.149 0.000 2.487 512 N HA 0.760 5.499 4.740 -0.001 0.000 0.292 512 N C 0.038 175.583 175.510 0.060 0.000 1.108 512 N CA 0.542 53.681 53.050 0.149 0.000 0.956 512 N CB 1.875 40.506 38.487 0.240 0.000 1.176 512 N HN 0.948 nan 8.380 nan 0.000 0.484 513 A N 0.472 123.302 122.820 0.017 0.000 2.520 513 A HA 0.638 4.958 4.320 -0.001 0.000 0.298 513 A C -1.221 176.268 177.584 -0.160 0.000 1.051 513 A CA -0.655 51.342 52.037 -0.067 0.000 0.690 513 A CB 1.435 20.426 19.000 -0.016 0.000 1.281 513 A HN 0.410 nan 8.150 nan 0.000 0.402 514 V N 1.581 121.331 119.914 -0.273 0.000 3.040 514 V HA 0.883 5.002 4.120 -0.001 0.000 0.312 514 V C -0.066 175.937 176.094 -0.153 0.000 1.115 514 V CA 0.155 62.276 62.300 -0.300 0.000 0.998 514 V CB 2.483 33.882 31.823 -0.705 0.000 1.042 514 V HN 1.718 nan 8.190 nan 0.000 0.433 515 S N 5.208 120.852 115.700 -0.094 0.000 2.537 515 S HA 0.701 5.170 4.470 -0.001 0.000 0.301 515 S C -0.661 173.843 174.600 -0.162 0.000 1.092 515 S CA -0.722 57.418 58.200 -0.099 0.000 1.048 515 S CB 1.501 64.645 63.200 -0.094 0.000 1.053 515 S HN 0.707 nan 8.310 nan 0.000 0.501 516 L N 3.114 124.261 121.223 -0.127 0.000 2.935 516 L HA 0.451 4.791 4.340 -0.001 0.000 0.243 516 L C -0.701 176.140 176.870 -0.048 0.000 1.313 516 L CA -0.551 54.177 54.840 -0.187 0.000 0.969 516 L CB -1.104 40.941 42.059 -0.022 0.000 1.320 516 L HN 0.889 nan 8.230 nan 0.000 0.511 517 F N -0.663 119.371 119.950 0.141 0.000 2.182 517 F HA -0.246 4.281 4.527 -0.001 0.000 0.318 517 F C 1.138 177.113 175.800 0.292 0.000 0.129 517 F CA 1.059 59.193 58.000 0.223 0.000 0.911 517 F CB -1.283 37.783 39.000 0.110 0.000 4.131 517 F HN 0.304 nan 8.300 nan 0.000 0.140 518 G N -0.762 108.321 108.800 0.471 0.000 2.708 518 G HA2 0.753 4.713 3.960 -0.001 0.000 0.289 518 G HA3 0.753 4.713 3.960 -0.001 0.000 0.289 518 G C -1.993 172.987 174.900 0.134 0.000 1.416 518 G CA -1.256 44.073 45.100 0.382 0.000 0.829 518 G HN 0.598 nan 8.290 nan 0.000 0.480 519 R N 0.096 120.670 120.500 0.123 0.000 2.670 519 R HA 0.393 4.733 4.340 -0.001 0.000 0.289 519 R C -1.583 174.749 176.300 0.053 0.000 0.965 519 R CA -0.885 55.249 56.100 0.057 0.000 0.899 519 R CB 2.489 32.837 30.300 0.079 0.000 1.173 519 R HN 0.476 nan 8.270 nan 0.000 0.456 520 D N 1.608 122.020 120.400 0.021 0.000 2.313 520 D HA 0.139 4.779 4.640 -0.001 0.000 0.239 520 D C -0.343 176.014 176.300 0.095 0.000 1.142 520 D CA -0.397 53.637 54.000 0.056 0.000 0.847 520 D CB 1.024 41.838 40.800 0.024 0.000 1.082 520 D HN 0.512 nan 8.370 nan 0.000 0.480 521 C N 3.089 122.467 119.300 0.130 0.000 2.638 521 C HA 0.218 4.678 4.460 -0.001 0.000 0.282 521 C C 2.058 177.114 174.990 0.110 0.000 1.473 521 C CA -0.433 58.651 59.018 0.111 0.000 1.781 521 C CB -1.234 26.568 27.740 0.103 0.000 2.780 521 C HN 0.571 nan 8.230 nan 0.000 0.531 522 S N 1.280 117.066 115.700 0.144 0.000 2.371 522 S HA 0.079 4.549 4.470 -0.001 0.000 0.224 522 S C 0.743 175.408 174.600 0.109 0.000 1.029 522 S CA 0.791 59.087 58.200 0.161 0.000 0.978 522 S CB -0.097 63.212 63.200 0.181 0.000 0.833 522 S HN 0.643 nan 8.310 nan 0.000 0.466 523 I N 2.421 123.057 120.570 0.110 0.000 2.483 523 I HA 0.072 4.242 4.170 -0.001 0.000 0.291 523 I C 0.287 176.430 176.117 0.044 0.000 1.112 523 I CA 0.310 61.664 61.300 0.089 0.000 1.350 523 I CB 0.052 38.113 38.000 0.101 0.000 1.419 523 I HN 0.263 nan 8.210 nan 0.000 0.523 529 K N 0.995 121.379 120.400 -0.027 0.000 2.416 529 K HA 0.190 4.509 4.320 -0.001 0.000 0.283 529 K C 0.217 176.828 176.600 0.018 0.000 1.037 529 K CA 0.596 56.879 56.287 -0.007 0.000 0.995 529 K CB 0.402 32.904 32.500 0.004 0.000 0.938 529 K HN 0.374 nan 8.250 nan 0.000 0.475 530 I N 1.769 122.347 120.570 0.013 0.000 4.530 530 I HA 0.005 4.175 4.170 -0.001 0.000 0.318 530 I C -0.568 175.544 176.117 -0.008 0.000 1.257 530 I CA 0.017 61.318 61.300 0.000 0.000 1.301 530 I CB 1.322 39.325 38.000 0.006 0.000 1.297 530 I HN 0.179 nan 8.210 nan 0.000 0.451 531 V N 1.789 121.709 119.914 0.009 0.000 2.577 531 V HA 0.411 4.531 4.120 -0.001 0.000 0.303 531 V C -0.706 175.429 176.094 0.068 0.000 1.042 531 V CA -0.701 61.608 62.300 0.014 0.000 0.872 531 V CB 2.011 33.822 31.823 -0.021 0.000 0.998 531 V HN 0.067 nan 8.190 nan 0.000 0.423 532 E N 3.126 123.364 120.200 0.064 0.000 2.227 532 E HA 0.631 4.981 4.350 -0.001 0.000 0.268 532 E C -1.159 175.494 176.600 0.089 0.000 0.907 532 E CA -0.733 55.712 56.400 0.075 0.000 0.786 532 E CB 2.932 32.663 29.700 0.052 0.000 1.191 532 E HN 0.708 nan 8.360 nan 0.000 0.411 533 E N 0.373 120.616 120.200 0.073 0.000 2.312 533 E HA 0.714 5.064 4.350 -0.001 0.000 0.267 533 E C -1.326 175.213 176.600 -0.102 0.000 0.894 533 E CA -1.090 55.324 56.400 0.024 0.000 0.773 533 E CB 2.346 32.105 29.700 0.098 0.000 1.241 533 E HN 0.439 nan 8.360 nan 0.000 0.432 534 A N 2.636 125.283 122.820 -0.288 0.000 2.459 534 A HA 0.609 4.929 4.320 -0.001 0.000 0.296 534 A C -2.722 174.516 177.584 -0.577 0.000 1.039 534 A CA -1.438 50.431 52.037 -0.279 0.000 0.698 534 A CB 1.598 20.543 19.000 -0.091 0.000 1.261 534 A HN 0.330 nan 8.150 nan 0.000 0.405 535 P HA 0.432 nan 4.420 nan 0.000 0.276 535 P C 0.005 177.154 177.300 -0.252 0.000 1.261 535 P CA -0.142 62.796 63.100 -0.270 0.000 0.800 535 P CB 0.990 32.508 31.700 -0.305 0.000 1.066 536 A N 0.991 123.629 122.820 -0.303 0.000 2.492 536 A HA 0.331 4.651 4.320 -0.001 0.000 0.254 536 A C 1.186 178.529 177.584 -0.402 0.000 1.091 536 A CA 0.582 52.410 52.037 -0.347 0.000 0.768 536 A CB -0.891 17.826 19.000 -0.473 0.000 1.028 536 A HN 0.664 nan 8.150 nan 0.000 0.498 537 T N -0.000 114.414 114.554 -0.233 0.000 3.058 537 T HA 0.071 4.421 4.350 -0.001 0.000 0.278 537 T C 1.266 175.868 174.700 -0.163 0.000 0.974 537 T CA 0.517 62.501 62.100 -0.194 0.000 0.893 537 T CB -0.336 68.466 68.868 -0.110 0.000 1.138 537 T HN 0.371 nan 8.240 nan 0.000 0.529 538 I N 2.785 123.262 120.570 -0.156 0.000 2.394 538 I HA 0.335 4.505 4.170 -0.001 0.000 0.251 538 I C 1.191 177.244 176.117 -0.106 0.000 1.136 538 I CA 0.229 61.476 61.300 -0.087 0.000 1.425 538 I CB -0.529 37.460 38.000 -0.019 0.000 1.079 538 I HN 0.457 nan 8.210 nan 0.000 0.425 539 A N 0.461 123.113 122.820 -0.281 0.000 2.295 539 A HA 0.643 4.963 4.320 -0.001 0.000 0.318 539 A C -2.344 175.149 177.584 -0.151 0.000 1.134 539 A CA -1.368 50.448 52.037 -0.368 0.000 0.827 539 A CB -0.421 18.080 19.000 -0.833 0.000 1.136 539 A HN 0.103 nan 8.150 nan 0.000 0.493 540 P HA 0.046 nan 4.420 nan 0.000 0.263 540 P C 0.893 178.205 177.300 0.021 0.000 1.195 540 P CA -0.293 62.812 63.100 0.008 0.000 0.762 540 P CB 0.402 32.134 31.700 0.054 0.000 0.799 541 L N 4.760 126.001 121.223 0.030 0.000 2.089 541 L HA -0.268 4.072 4.340 -0.001 0.000 0.213 541 L C 2.064 178.996 176.870 0.103 0.000 1.079 541 L CA 2.468 57.357 54.840 0.081 0.000 0.758 541 L CB -1.332 40.764 42.059 0.061 0.000 0.891 541 L HN 0.459 nan 8.230 nan 0.000 0.433 542 A N -1.344 121.515 122.820 0.064 0.000 1.968 542 A HA -0.124 4.195 4.320 -0.001 0.000 0.217 542 A C 2.178 179.792 177.584 0.050 0.000 1.169 542 A CA 1.491 53.560 52.037 0.054 0.000 0.638 542 A CB -0.678 18.343 19.000 0.036 0.000 0.812 542 A HN 0.421 nan 8.150 nan 0.000 0.446 543 I N -1.940 118.656 120.570 0.042 0.000 2.500 543 I HA -0.005 4.165 4.170 -0.001 0.000 0.252 543 I C 1.883 177.915 176.117 -0.142 0.000 1.142 543 I CA 0.400 61.705 61.300 0.007 0.000 1.451 543 I CB -0.567 37.471 38.000 0.063 0.000 1.093 543 I HN 0.347 nan 8.210 nan 0.000 0.430 544 F N 1.736 121.561 119.950 -0.209 0.000 2.146 544 F HA -0.146 4.380 4.527 -0.001 0.000 0.298 544 F C 2.355 178.054 175.800 -0.167 0.000 1.096 544 F CA 1.786 59.635 58.000 -0.253 0.000 1.275 544 F CB -0.362 38.531 39.000 -0.178 0.000 1.008 544 F HN 0.153 nan 8.300 nan 0.000 0.480 545 E N -0.885 119.258 120.200 -0.096 0.000 2.153 545 E HA -0.257 4.093 4.350 -0.001 0.000 0.194 545 E C 2.031 178.558 176.600 -0.122 0.000 0.988 545 E CA 1.281 57.617 56.400 -0.108 0.000 0.811 545 E CB -0.490 29.230 29.700 0.033 0.000 0.746 545 E HN 0.474 nan 8.360 nan 0.000 0.466 546 F N 0.892 120.693 119.950 -0.248 0.000 2.259 546 F HA -0.033 4.494 4.527 -0.001 0.000 0.298 546 F C 2.012 177.591 175.800 -0.369 0.000 1.088 546 F CA 1.067 58.933 58.000 -0.222 0.000 1.358 546 F CB -0.025 38.890 39.000 -0.141 0.000 1.040 546 F HN -0.085 nan 8.300 nan 0.000 0.505 547 M N -0.123 119.031 119.600 -0.743 0.000 2.175 547 M HA -0.190 4.289 4.480 -0.001 0.000 0.264 547 M C 2.039 177.943 176.300 -0.659 0.000 1.063 547 M CA 1.723 56.378 55.300 -1.074 0.000 1.119 547 M CB -0.369 31.393 32.600 -1.396 0.000 1.377 547 M HN 0.146 nan 8.290 nan 0.000 0.415 548 E N -0.067 119.748 120.200 -0.642 0.000 2.051 548 E HA -0.281 4.069 4.350 -0.001 0.000 0.192 548 E C 1.977 178.436 176.600 -0.236 0.000 0.991 548 E CA 1.342 57.512 56.400 -0.383 0.000 0.799 548 E CB -0.238 29.260 29.700 -0.336 0.000 0.748 548 E HN 0.521 nan 8.360 nan 0.000 0.449 549 Q N 0.388 120.048 119.800 -0.232 0.000 2.096 549 Q HA -0.209 4.131 4.340 -0.001 0.000 0.204 549 Q C 2.225 178.103 176.000 -0.203 0.000 0.982 549 Q CA 1.664 57.376 55.803 -0.151 0.000 0.850 549 Q CB -0.133 28.570 28.738 -0.059 0.000 0.901 549 Q HN 0.335 nan 8.270 nan 0.000 0.422 550 C N 0.064 119.140 119.300 -0.372 0.000 2.429 550 C HA -0.118 4.342 4.460 -0.001 0.000 0.277 550 C C 2.854 177.770 174.990 -0.122 0.000 1.262 550 C CA 0.851 59.696 59.018 -0.288 0.000 1.733 550 C CB -1.326 26.214 27.740 -0.334 0.000 2.010 550 C HN 0.718 nan 8.230 nan 0.000 0.483 551 A N 0.324 123.105 122.820 -0.066 0.000 1.902 551 A HA -0.124 4.195 4.320 -0.001 0.000 0.217 551 A C 1.996 179.521 177.584 -0.099 0.000 1.181 551 A CA 1.660 53.665 52.037 -0.054 0.000 0.623 551 A CB -0.570 18.413 19.000 -0.029 0.000 0.818 551 A HN 0.599 nan 8.150 nan 0.000 0.443 552 I N -0.859 119.657 120.570 -0.089 0.000 2.202 552 I HA -0.253 3.917 4.170 -0.001 0.000 0.242 552 I C 2.740 178.828 176.117 -0.048 0.000 1.091 552 I CA 1.234 62.496 61.300 -0.063 0.000 1.368 552 I CB -0.336 37.642 38.000 -0.036 0.000 1.058 552 I HN 0.276 nan 8.210 nan 0.000 0.410 553 R N 0.132 120.599 120.500 -0.056 0.000 2.096 553 R HA -0.184 4.155 4.340 -0.001 0.000 0.235 553 R C 2.250 178.516 176.300 -0.057 0.000 1.127 553 R CA 1.187 57.262 56.100 -0.041 0.000 0.968 553 R CB -0.560 29.715 30.300 -0.041 0.000 0.861 553 R HN 0.253 nan 8.270 nan 0.000 0.440 554 L N 0.899 122.063 121.223 -0.097 0.000 2.027 554 L HA -0.059 4.281 4.340 -0.001 0.000 0.206 554 L C 2.275 179.093 176.870 -0.087 0.000 1.074 554 L CA 1.891 56.654 54.840 -0.128 0.000 0.745 554 L CB -0.912 41.023 42.059 -0.207 0.000 0.898 554 L HN 0.108 nan 8.230 nan 0.000 0.433 555 A N -0.437 122.327 122.820 -0.093 0.000 1.858 555 A HA -0.246 4.074 4.320 -0.001 0.000 0.216 555 A C 2.295 179.909 177.584 0.050 0.000 1.190 555 A CA 2.036 54.044 52.037 -0.048 0.000 0.617 555 A CB -0.545 18.397 19.000 -0.097 0.000 0.827 555 A HN 0.506 nan 8.150 nan 0.000 0.443 556 K N -0.888 119.528 120.400 0.027 0.000 2.152 556 K HA -0.104 4.216 4.320 -0.001 0.000 0.206 556 K C 2.013 178.638 176.600 0.042 0.000 1.048 556 K CA 1.704 58.018 56.287 0.045 0.000 0.933 556 K CB -0.394 32.128 32.500 0.036 0.000 0.721 556 K HN 0.473 nan 8.250 nan 0.000 0.447 557 T N 0.909 115.476 114.554 0.021 0.000 2.821 557 T HA -0.075 4.275 4.350 -0.001 0.000 0.267 557 T C 1.723 176.443 174.700 0.033 0.000 1.046 557 T CA 1.429 63.539 62.100 0.018 0.000 1.139 557 T CB -0.002 68.862 68.868 -0.006 0.000 0.871 557 T HN 0.193 nan 8.240 nan 0.000 0.454 558 V N -0.749 119.195 119.914 0.049 0.000 3.577 558 V HA 0.543 4.663 4.120 -0.001 0.000 0.294 558 V C 1.233 177.383 176.094 0.093 0.000 1.317 558 V CA -0.054 62.291 62.300 0.075 0.000 1.169 558 V CB -1.169 30.711 31.823 0.095 0.000 1.011 558 V HN 0.477 nan 8.190 nan 0.000 0.426 559 G N 0.141 108.992 108.800 0.084 0.000 2.350 559 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.298 559 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.298 559 G C -0.295 174.652 174.900 0.078 0.000 1.037 559 G CA 0.594 45.735 45.100 0.068 0.000 1.074 559 G HN 0.891 nan 8.290 nan 0.000 0.511 560 Y N -0.461 119.836 120.300 -0.004 0.000 2.304 560 Y HA 0.536 5.086 4.550 -0.001 0.000 0.327 560 Y C 0.500 176.387 175.900 -0.022 0.000 1.209 560 Y CA -0.208 57.887 58.100 -0.008 0.000 1.299 560 Y CB 1.279 39.732 38.460 -0.011 0.000 1.249 560 Y HN 0.266 nan 8.280 nan 0.000 0.519 561 V N 4.634 124.280 119.914 -0.445 0.000 2.925 561 V HA 0.563 4.683 4.120 -0.001 0.000 0.311 561 V C -0.032 175.859 176.094 -0.337 0.000 1.104 561 V CA -0.295 61.852 62.300 -0.254 0.000 0.954 561 V CB 1.409 33.105 31.823 -0.212 0.000 1.022 561 V HN 1.072 nan 8.190 nan 0.000 0.427 562 S N 1.141 116.775 115.700 -0.111 0.000 3.701 562 S HA -0.056 4.413 4.470 -0.001 0.000 0.633 562 S C 0.065 174.733 174.600 0.112 0.000 2.263 562 S CA 0.505 58.667 58.200 -0.063 0.000 2.658 562 S CB -1.183 61.915 63.200 -0.170 0.000 0.323 562 S HN 2.453 nan 8.310 nan 0.000 1.605 563 A N 0.757 123.636 122.820 0.099 0.000 2.309 563 A HA 0.760 5.080 4.320 -0.001 0.000 0.298 563 A C 0.504 178.233 177.584 0.241 0.000 1.165 563 A CA 0.529 52.643 52.037 0.128 0.000 0.821 563 A CB 0.726 19.753 19.000 0.045 0.000 1.102 563 A HN 1.912 nan 8.150 nan 0.000 0.500 564 G N 0.030 108.903 108.800 0.121 0.000 2.704 564 G HA2 0.585 4.544 3.960 -0.001 0.000 0.293 564 G HA3 0.585 4.544 3.960 -0.001 0.000 0.293 564 G C -1.055 173.798 174.900 -0.079 0.000 1.421 564 G CA -0.365 44.727 45.100 -0.013 0.000 0.870 564 G HN 0.687 nan 8.290 nan 0.000 0.492 565 T N 0.392 114.902 114.554 -0.073 0.000 2.824 565 T HA 0.536 4.886 4.350 -0.001 0.000 0.282 565 T C -0.478 174.167 174.700 -0.092 0.000 0.993 565 T CA -0.313 61.757 62.100 -0.050 0.000 0.967 565 T CB 1.737 70.601 68.868 -0.006 0.000 0.960 565 T HN 0.390 nan 8.240 nan 0.000 0.441 566 V N 3.573 123.427 119.914 -0.099 0.000 2.347 566 V HA 0.377 4.496 4.120 -0.001 0.000 0.280 566 V C 0.287 176.215 176.094 -0.276 0.000 1.021 566 V CA -0.712 61.477 62.300 -0.186 0.000 0.847 566 V CB 1.304 33.005 31.823 -0.205 0.000 0.990 566 V HN 0.827 nan 8.190 nan 0.000 0.444 567 E N 3.917 123.925 120.200 -0.320 0.000 2.197 567 E HA 0.507 4.856 4.350 -0.001 0.000 0.281 567 E C -1.684 174.693 176.600 -0.372 0.000 0.995 567 E CA -0.441 55.828 56.400 -0.219 0.000 0.808 567 E CB 1.105 30.733 29.700 -0.119 0.000 1.093 567 E HN 0.633 nan 8.360 nan 0.000 0.394 568 Y N 2.347 122.685 120.300 0.063 0.000 2.536 568 Y HA 0.332 4.881 4.550 -0.000 0.000 0.347 568 Y C -0.210 175.726 175.900 0.061 0.000 1.000 568 Y CA -1.218 56.951 58.100 0.115 0.000 1.051 568 Y CB 1.297 39.893 38.460 0.227 0.000 1.259 568 Y HN 0.297 nan 8.280 nan 0.000 0.468 569 L N 2.536 123.915 121.223 0.261 0.000 2.307 569 L HA 0.274 4.613 4.340 -0.001 0.000 0.282 569 L C -1.105 175.983 176.870 0.363 0.000 1.051 569 L CA -0.700 54.216 54.840 0.127 0.000 0.804 569 L CB 0.937 43.033 42.059 0.063 0.000 1.197 569 L HN 0.697 nan 8.230 nan 0.000 0.431 570 Y N 2.535 122.935 120.300 0.167 0.000 2.349 570 Y HA 0.307 4.857 4.550 -0.001 0.000 0.324 570 Y C 0.309 176.308 175.900 0.166 0.000 1.005 570 Y CA -0.887 57.333 58.100 0.199 0.000 1.240 570 Y CB 1.472 40.038 38.460 0.176 0.000 1.117 570 Y HN 0.697 nan 8.280 nan 0.000 0.463 571 S N 3.133 118.653 115.700 -0.300 0.000 2.681 571 S HA 0.245 4.715 4.470 -0.001 0.000 0.270 571 S C 0.721 175.143 174.600 -0.297 0.000 1.209 571 S CA -0.501 57.599 58.200 -0.167 0.000 0.988 571 S CB 1.442 64.624 63.200 -0.030 0.000 1.006 571 S HN 0.845 nan 8.310 nan 0.000 0.558 572 Q N -0.101 119.636 119.800 -0.106 0.000 2.230 572 Q HA -0.076 4.263 4.340 -0.001 0.000 0.202 572 Q C 0.828 176.774 176.000 -0.090 0.000 0.963 572 Q CA 1.227 56.982 55.803 -0.079 0.000 0.866 572 Q CB -0.199 28.526 28.738 -0.020 0.000 0.931 572 Q HN 0.682 nan 8.270 nan 0.000 0.452 573 D N -0.884 119.467 120.400 -0.082 0.000 2.224 573 D HA -0.027 4.612 4.640 -0.001 0.000 0.205 573 D C 1.212 177.470 176.300 -0.070 0.000 0.965 573 D CA 1.338 55.309 54.000 -0.048 0.000 0.852 573 D CB 0.315 41.106 40.800 -0.016 0.000 0.947 573 D HN 0.434 nan 8.370 nan 0.000 0.494 574 G N -0.664 108.020 108.800 -0.194 0.000 2.227 574 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.168 574 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.168 574 G C 0.351 175.199 174.900 -0.087 0.000 1.006 574 G CA -0.021 44.979 45.100 -0.167 0.000 0.684 574 G HN 0.239 nan 8.290 nan 0.000 0.489 575 S N 0.579 116.217 115.700 -0.104 0.000 2.580 575 S HA 0.693 5.162 4.470 -0.001 0.000 0.274 575 S C -0.187 174.420 174.600 0.011 0.000 1.329 575 S CA 0.241 58.411 58.200 -0.050 0.000 1.036 575 S CB 0.452 63.648 63.200 -0.007 0.000 0.919 575 S HN 1.069 nan 8.310 nan 0.000 0.515 576 F N 0.494 120.358 119.950 -0.144 0.000 2.577 576 F HA 0.810 5.337 4.527 -0.001 0.000 0.318 576 F C -0.687 174.915 175.800 -0.330 0.000 1.065 576 F CA -1.060 56.935 58.000 -0.008 0.000 0.929 576 F CB 0.988 40.073 39.000 0.142 0.000 1.237 576 F HN 0.497 nan 8.300 nan 0.000 0.468 577 H N 1.781 121.001 119.070 0.249 0.000 2.851 577 H HA 0.367 4.922 4.556 -0.001 0.000 0.372 577 H C -1.569 174.029 175.328 0.451 0.000 1.158 577 H CA -0.956 55.195 56.048 0.172 0.000 1.159 577 H CB 1.973 31.777 29.762 0.071 0.000 1.757 577 H HN 0.825 nan 8.280 nan 0.000 0.546 578 F N 3.073 123.241 119.950 0.363 0.000 2.504 578 F HA 0.105 4.632 4.527 -0.001 0.000 0.369 578 F C 0.145 175.965 175.800 0.033 0.000 1.082 578 F CA 0.082 58.188 58.000 0.177 0.000 1.216 578 F CB 0.394 39.441 39.000 0.078 0.000 1.108 578 F HN 0.484 nan 8.300 nan 0.000 0.554 579 L N 4.258 125.022 121.223 -0.765 0.000 2.276 579 L HA 0.278 4.617 4.340 -0.001 0.000 0.194 579 L C -0.274 175.864 176.870 -1.220 0.000 1.099 579 L CA 0.461 54.868 54.840 -0.722 0.000 0.800 579 L CB 0.040 41.880 42.059 -0.365 0.000 0.994 579 L HN 0.829 nan 8.230 nan 0.000 0.475 580 E N -0.728 118.707 120.200 -1.274 0.000 2.416 580 E HA 0.248 4.598 4.350 -0.001 0.000 0.280 580 E C -1.615 174.768 176.600 -0.362 0.000 1.055 580 E CA -0.845 55.052 56.400 -0.839 0.000 0.825 580 E CB 1.404 30.898 29.700 -0.343 0.000 1.312 580 E HN -0.095 nan 8.360 nan 0.000 0.452 581 L N 2.502 123.725 121.223 0.001 0.000 2.280 581 L HA 0.442 4.782 4.340 -0.001 0.000 0.287 581 L C -1.197 175.664 176.870 -0.015 0.000 1.023 581 L CA -0.544 54.303 54.840 0.012 0.000 0.819 581 L CB 0.650 42.738 42.059 0.048 0.000 1.212 581 L HN 0.587 nan 8.230 nan 0.000 0.420 582 N N 7.915 126.596 118.700 -0.033 0.000 2.406 582 N HA 0.245 4.985 4.740 -0.001 0.000 0.251 582 N C -2.094 173.445 175.510 0.048 0.000 1.069 582 N CA -1.202 51.851 53.050 0.006 0.000 0.947 582 N CB 1.089 39.577 38.487 0.002 0.000 1.111 582 N HN 0.417 nan 8.380 nan 0.000 0.497 583 P HA 0.038 nan 4.420 nan 0.000 0.246 583 P C -0.532 176.891 177.300 0.205 0.000 1.686 583 P CA 0.223 63.471 63.100 0.247 0.000 0.867 583 P CB -0.125 31.708 31.700 0.221 0.000 1.733 584 R N -1.940 118.645 120.500 0.142 0.000 2.728 584 R HA 0.541 4.881 4.340 -0.001 0.000 0.274 584 R C -1.319 175.027 176.300 0.076 0.000 1.030 584 R CA -1.286 54.861 56.100 0.079 0.000 0.876 584 R CB 0.015 30.348 30.300 0.056 0.000 1.259 584 R HN -0.192 nan 8.270 nan 0.000 0.468 585 L N 1.265 122.525 121.223 0.062 0.000 2.439 585 L HA 0.259 4.599 4.340 -0.001 0.000 0.269 585 L C -0.397 176.567 176.870 0.156 0.000 1.179 585 L CA 0.678 55.574 54.840 0.093 0.000 0.828 585 L CB 0.908 43.024 42.059 0.095 0.000 1.106 585 L HN 0.597 nan 8.230 nan 0.000 0.467 586 Q N 1.715 121.531 119.800 0.027 0.000 2.248 586 Q HA 0.257 4.597 4.340 -0.001 0.000 0.263 586 Q C 0.655 176.321 176.000 -0.558 0.000 1.007 586 Q CA -0.652 55.039 55.803 -0.186 0.000 0.877 586 Q CB 2.024 30.700 28.738 -0.102 0.000 1.315 586 Q HN 0.582 nan 8.270 nan 0.000 0.454 587 V N 1.711 120.955 119.914 -1.117 0.000 2.469 587 V HA -0.261 3.859 4.120 -0.001 0.000 0.251 587 V C 0.815 176.636 176.094 -0.455 0.000 1.064 587 V CA 2.190 63.766 62.300 -1.208 0.000 1.066 587 V CB -0.087 31.237 31.823 -0.832 0.000 0.667 587 V HN 0.736 nan 8.190 nan 0.000 0.461 588 E N -0.289 119.742 120.200 -0.281 0.000 2.511 588 E HA -0.093 4.257 4.350 -0.001 0.000 0.196 588 E C 1.820 178.424 176.600 0.007 0.000 1.066 588 E CA 0.605 56.983 56.400 -0.037 0.000 0.871 588 E CB -0.411 29.266 29.700 -0.037 0.000 0.863 588 E HN 0.932 nan 8.360 nan 0.000 0.520 589 H N -0.984 118.040 119.070 -0.077 0.000 2.489 589 H HA -0.003 4.552 4.556 -0.001 0.000 0.295 589 H C -1.065 174.239 175.328 -0.041 0.000 1.082 589 H CA 0.621 56.649 56.048 -0.034 0.000 1.295 589 H CB -1.146 28.602 29.762 -0.023 0.000 1.380 589 H HN 0.165 nan 8.280 nan 0.000 0.548 590 P HA 0.034 nan 4.420 nan 0.000 0.229 590 P C 1.434 178.618 177.300 -0.193 0.000 1.160 590 P CA 0.659 63.458 63.100 -0.502 0.000 0.777 590 P CB -0.150 31.000 31.700 -0.918 0.000 0.814 591 C N -1.084 118.224 119.300 0.014 0.000 2.413 591 C HA -0.140 4.320 4.460 -0.001 0.000 0.276 591 C C 2.640 177.680 174.990 0.083 0.000 1.236 591 C CA 1.799 60.894 59.018 0.128 0.000 1.735 591 C CB -1.889 25.948 27.740 0.161 0.000 2.031 591 C HN 0.277 nan 8.230 nan 0.000 0.474 592 T N 0.559 115.165 114.554 0.087 0.000 2.777 592 T HA -0.138 4.211 4.350 -0.001 0.000 0.266 592 T C 1.649 176.416 174.700 0.112 0.000 1.040 592 T CA 1.293 63.468 62.100 0.126 0.000 1.141 592 T CB -0.324 68.630 68.868 0.143 0.000 0.868 592 T HN 0.649 nan 8.240 nan 0.000 0.444 593 E N 0.609 120.846 120.200 0.061 0.000 2.085 593 E HA -0.165 4.185 4.350 -0.001 0.000 0.194 593 E C 2.106 178.709 176.600 0.005 0.000 0.994 593 E CA 1.159 57.578 56.400 0.032 0.000 0.801 593 E CB -0.227 29.466 29.700 -0.013 0.000 0.743 593 E HN 0.300 nan 8.360 nan 0.000 0.453 594 M N 1.092 120.684 119.600 -0.013 0.000 2.156 594 M HA -0.069 4.411 4.480 -0.001 0.000 0.264 594 M C 2.095 178.401 176.300 0.011 0.000 1.067 594 M CA 1.392 56.664 55.300 -0.047 0.000 1.131 594 M CB -0.092 32.497 32.600 -0.018 0.000 1.368 594 M HN 0.188 nan 8.290 nan 0.000 0.416 595 I N -2.708 117.920 120.570 0.097 0.000 3.059 595 I HA 0.235 4.405 4.170 -0.001 0.000 0.270 595 I C 1.720 177.930 176.117 0.154 0.000 1.238 595 I CA 0.936 62.303 61.300 0.112 0.000 1.478 595 I CB -0.645 37.364 38.000 0.014 0.000 1.097 595 I HN 0.185 nan 8.210 nan 0.000 0.455 596 A N -0.001 122.954 122.820 0.225 0.000 2.252 596 A HA 0.068 4.388 4.320 -0.001 0.000 0.213 596 A C 0.893 178.565 177.584 0.147 0.000 1.188 596 A CA 0.139 52.355 52.037 0.298 0.000 0.863 596 A CB -0.157 19.009 19.000 0.277 0.000 0.893 596 A HN 0.494 nan 8.150 nan 0.000 0.495 597 D N -0.060 120.384 120.400 0.072 0.000 2.689 597 D HA -0.124 4.515 4.640 -0.001 0.000 0.237 597 D C -0.813 175.502 176.300 0.025 0.000 1.148 597 D CA 0.927 54.938 54.000 0.020 0.000 0.656 597 D CB -0.967 39.840 40.800 0.012 0.000 1.050 597 D HN 0.181 nan 8.370 nan 0.000 0.426 598 V N 1.717 121.649 119.914 0.030 0.000 2.540 598 V HA 0.246 4.366 4.120 -0.001 0.000 0.302 598 V C 0.582 176.677 176.094 0.001 0.000 1.035 598 V CA -0.964 61.346 62.300 0.017 0.000 0.873 598 V CB 1.957 33.796 31.823 0.027 0.000 0.992 598 V HN 0.155 nan 8.190 nan 0.000 0.428 599 N N 4.309 122.996 118.700 -0.020 0.000 2.439 599 N HA 0.262 5.002 4.740 -0.001 0.000 0.243 599 N C 0.699 176.175 175.510 -0.057 0.000 1.088 599 N CA 0.007 53.037 53.050 -0.033 0.000 0.940 599 N CB 1.033 39.499 38.487 -0.035 0.000 1.180 599 N HN 0.693 nan 8.380 nan 0.000 0.505 600 L N 4.551 125.767 121.223 -0.011 0.000 2.072 600 L HA 0.003 4.342 4.340 -0.001 0.000 0.205 600 L C -0.663 176.163 176.870 -0.073 0.000 1.079 600 L CA 1.002 55.825 54.840 -0.029 0.000 0.752 600 L CB -0.891 41.179 42.059 0.018 0.000 0.906 600 L HN 0.423 nan 8.230 nan 0.000 0.436 601 P HA -0.126 nan 4.420 nan 0.000 0.218 601 P C 1.345 178.524 177.300 -0.201 0.000 1.149 601 P CA 1.505 64.530 63.100 -0.126 0.000 0.817 601 P CB 0.024 31.595 31.700 -0.216 0.000 0.785 602 A N 0.109 122.781 122.820 -0.247 0.000 1.930 602 A HA -0.031 4.288 4.320 -0.001 0.000 0.217 602 A C 2.310 179.559 177.584 -0.559 0.000 1.175 602 A CA 1.813 53.550 52.037 -0.500 0.000 0.627 602 A CB -1.530 17.144 19.000 -0.544 0.000 0.815 602 A HN 0.179 nan 8.150 nan 0.000 0.443 603 A N -0.453 122.169 122.820 -0.329 0.000 1.902 603 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 603 A C 2.122 179.589 177.584 -0.197 0.000 1.181 603 A CA 1.729 53.623 52.037 -0.238 0.000 0.623 603 A CB -0.612 18.308 19.000 -0.134 0.000 0.818 603 A HN 0.647 nan 8.150 nan 0.000 0.443 604 Q N -1.158 118.550 119.800 -0.153 0.000 2.084 604 Q HA -0.167 4.172 4.340 -0.001 0.000 0.202 604 Q C 2.117 178.038 176.000 -0.131 0.000 0.978 604 Q CA 1.491 57.230 55.803 -0.106 0.000 0.844 604 Q CB -0.357 28.367 28.738 -0.024 0.000 0.898 604 Q HN 0.612 nan 8.270 nan 0.000 0.426 605 L N 0.878 121.986 121.223 -0.192 0.000 2.046 605 L HA -0.214 4.126 4.340 -0.001 0.000 0.208 605 L C 2.067 178.823 176.870 -0.189 0.000 1.077 605 L CA 1.836 56.561 54.840 -0.191 0.000 0.747 605 L CB -0.380 41.521 42.059 -0.263 0.000 0.896 605 L HN 0.150 nan 8.230 nan 0.000 0.432 606 Q N -0.564 119.056 119.800 -0.299 0.000 2.124 606 Q HA -0.173 4.167 4.340 -0.001 0.000 0.202 606 Q C 2.296 178.298 176.000 0.003 0.000 0.977 606 Q CA 2.026 57.755 55.803 -0.122 0.000 0.850 606 Q CB -0.204 28.429 28.738 -0.173 0.000 0.901 606 Q HN 0.590 nan 8.270 nan 0.000 0.429 607 I N 0.343 120.881 120.570 -0.054 0.000 2.315 607 I HA -0.231 3.939 4.170 -0.001 0.000 0.248 607 I C 2.242 178.335 176.117 -0.041 0.000 1.117 607 I CA 0.820 62.099 61.300 -0.034 0.000 1.404 607 I CB -0.237 37.724 38.000 -0.065 0.000 1.071 607 I HN 0.146 nan 8.210 nan 0.000 0.419 608 A N 0.175 122.964 122.820 -0.051 0.000 2.067 608 A HA -0.103 4.216 4.320 -0.001 0.000 0.219 608 A C 2.210 179.797 177.584 0.004 0.000 1.158 608 A CA 1.116 53.129 52.037 -0.040 0.000 0.661 608 A CB -0.472 18.499 19.000 -0.048 0.000 0.801 608 A HN 0.378 nan 8.150 nan 0.000 0.452 609 M N -1.337 118.289 119.600 0.043 0.000 2.618 609 M HA 0.148 4.628 4.480 -0.001 0.000 0.240 609 M C 1.344 177.710 176.300 0.111 0.000 1.123 609 M CA 0.821 56.181 55.300 0.100 0.000 1.060 609 M CB 0.223 32.940 32.600 0.194 0.000 1.535 609 M HN 0.621 nan 8.290 nan 0.000 0.507 610 G N 0.425 109.273 108.800 0.080 0.000 2.176 610 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.232 610 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.232 610 G C 0.051 175.095 174.900 0.240 0.000 0.986 610 G CA -0.344 44.824 45.100 0.113 0.000 0.643 610 G HN 0.283 nan 8.290 nan 0.000 0.522 611 V N 3.420 123.445 119.914 0.186 0.000 2.572 611 V HA 0.363 4.483 4.120 -0.001 0.000 0.291 611 V C -0.922 175.305 176.094 0.222 0.000 1.039 611 V CA -0.781 61.634 62.300 0.191 0.000 1.055 611 V CB 1.062 32.992 31.823 0.179 0.000 0.969 611 V HN 0.284 nan 8.190 nan 0.000 0.482 612 P HA 0.165 nan 4.420 nan 0.000 0.272 612 P C 1.036 178.345 177.300 0.015 0.000 1.223 612 P CA -0.265 62.926 63.100 0.152 0.000 0.784 612 P CB 1.061 32.670 31.700 -0.151 0.000 0.923 613 L N 1.577 122.864 121.223 0.107 0.000 2.043 613 L HA -0.217 4.122 4.340 -0.001 0.000 0.212 613 L C 2.463 179.422 176.870 0.150 0.000 1.075 613 L CA 1.667 56.550 54.840 0.072 0.000 0.752 613 L CB -1.093 40.954 42.059 -0.021 0.000 0.891 613 L HN 0.625 nan 8.230 nan 0.000 0.432 614 H N -1.224 117.999 119.070 0.255 0.000 2.547 614 H HA 0.065 4.620 4.556 -0.001 0.000 0.266 614 H C 1.447 176.872 175.328 0.162 0.000 0.988 614 H CA 0.076 56.255 56.048 0.218 0.000 1.147 614 H CB -0.022 29.803 29.762 0.105 0.000 1.365 614 H HN 0.242 nan 8.280 nan 0.000 0.589 615 R N 0.877 121.269 120.500 -0.181 0.000 2.312 615 R HA 0.267 4.606 4.340 -0.001 0.000 0.205 615 R C 0.496 176.954 176.300 0.263 0.000 0.904 615 R CA -0.214 55.923 56.100 0.062 0.000 1.052 615 R CB 0.271 30.588 30.300 0.028 0.000 1.014 615 R HN 0.298 nan 8.270 nan 0.000 0.503 616 L N 2.191 123.513 121.223 0.164 0.000 2.418 616 L HA 0.102 4.442 4.340 -0.001 0.000 0.274 616 L C 1.950 178.897 176.870 0.129 0.000 1.135 616 L CA -0.031 54.899 54.840 0.151 0.000 0.870 616 L CB 0.690 42.784 42.059 0.058 0.000 1.154 616 L HN -0.035 nan 8.230 nan 0.000 0.462 617 K N 2.384 122.859 120.400 0.124 0.000 2.063 617 K HA -0.198 4.122 4.320 -0.001 0.000 0.208 617 K C 0.918 177.486 176.600 -0.053 0.000 1.048 617 K CA 1.759 58.011 56.287 -0.057 0.000 0.928 617 K CB 0.239 32.605 32.500 -0.224 0.000 0.713 617 K HN 0.666 nan 8.250 nan 0.000 0.442 618 D N 0.808 121.207 120.400 -0.002 0.000 2.178 618 D HA -0.115 4.525 4.640 -0.001 0.000 0.202 618 D C 1.962 178.299 176.300 0.061 0.000 0.974 618 D CA 0.666 54.673 54.000 0.012 0.000 0.841 618 D CB 0.010 40.816 40.800 0.010 0.000 0.953 618 D HN 0.210 nan 8.370 nan 0.000 0.478 619 I N 0.965 121.583 120.570 0.079 0.000 2.252 619 I HA -0.145 4.025 4.170 -0.001 0.000 0.245 619 I C 2.336 178.594 176.117 0.236 0.000 1.102 619 I CA 0.853 62.245 61.300 0.153 0.000 1.385 619 I CB -0.728 37.324 38.000 0.086 0.000 1.064 619 I HN 0.006 nan 8.210 nan 0.000 0.414 620 R N 0.574 121.168 120.500 0.156 0.000 2.083 620 R HA -0.146 4.193 4.340 -0.001 0.000 0.237 620 R C 2.363 178.739 176.300 0.127 0.000 1.137 620 R CA 1.244 57.426 56.100 0.137 0.000 0.951 620 R CB -0.460 29.877 30.300 0.063 0.000 0.851 620 R HN 0.337 nan 8.270 nan 0.000 0.434 621 L N 0.481 121.742 121.223 0.064 0.000 2.093 621 L HA -0.172 4.168 4.340 -0.001 0.000 0.208 621 L C 2.477 179.407 176.870 0.100 0.000 1.085 621 L CA 0.520 55.388 54.840 0.047 0.000 0.755 621 L CB -0.452 41.602 42.059 -0.008 0.000 0.904 621 L HN 0.176 nan 8.230 nan 0.000 0.435 622 L N -0.711 120.602 121.223 0.149 0.000 2.081 622 L HA -0.244 4.096 4.340 -0.001 0.000 0.212 622 L C 1.692 178.632 176.870 0.117 0.000 1.080 622 L CA 1.920 56.852 54.840 0.154 0.000 0.754 622 L CB -0.567 41.615 42.059 0.205 0.000 0.893 622 L HN 0.147 nan 8.230 nan 0.000 0.433 623 Y N 0.021 120.376 120.300 0.090 0.000 2.537 623 Y HA 0.392 4.942 4.550 -0.000 0.000 0.303 623 Y C 1.767 177.695 175.900 0.047 0.000 1.176 623 Y CA 0.138 58.286 58.100 0.081 0.000 1.273 623 Y CB -0.191 38.329 38.460 0.099 0.000 1.110 623 Y HN 0.314 nan 8.280 nan 0.000 0.518 624 G N -0.788 108.090 108.800 0.129 0.000 2.212 624 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.266 624 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.266 624 G C 0.561 175.505 174.900 0.072 0.000 0.978 624 G CA 0.284 45.431 45.100 0.079 0.000 0.632 624 G HN 0.269 nan 8.290 nan 0.000 0.537 625 E N 0.403 120.659 120.200 0.094 0.000 2.620 625 E HA 0.481 4.831 4.350 -0.001 0.000 0.255 625 E C 0.553 177.173 176.600 0.033 0.000 1.346 625 E CA 0.047 56.485 56.400 0.063 0.000 1.013 625 E CB 0.508 30.251 29.700 0.072 0.000 1.131 625 E HN 0.182 nan 8.360 nan 0.000 0.608 626 S N 0.981 116.696 115.700 0.025 0.000 2.562 626 S HA 0.151 4.620 4.470 -0.001 0.000 0.275 626 S C -1.604 172.963 174.600 -0.055 0.000 1.281 626 S CA -1.617 56.585 58.200 0.003 0.000 1.045 626 S CB 0.602 63.826 63.200 0.040 0.000 0.962 626 S HN 0.176 nan 8.310 nan 0.000 0.503 627 P HA -0.054 nan 4.420 nan 0.000 0.218 627 P C 0.155 177.123 177.300 -0.553 0.000 1.148 627 P CA 1.433 64.216 63.100 -0.527 0.000 0.822 627 P CB -0.036 31.155 31.700 -0.848 0.000 0.784 628 W N -0.276 121.136 121.300 0.187 0.000 2.846 628 W HA 0.443 5.103 4.660 -0.000 0.000 0.391 628 W C 1.216 177.797 176.519 0.103 0.000 1.011 628 W CA -0.620 56.857 57.345 0.221 0.000 1.832 628 W CB -0.045 29.604 29.460 0.315 0.000 1.151 628 W HN -0.143 nan 8.180 nan 0.000 0.582 629 G N 0.975 109.900 108.800 0.209 0.000 2.699 629 G HA2 0.242 4.201 3.960 -0.001 0.000 0.246 629 G HA3 0.242 4.201 3.960 -0.001 0.000 0.246 629 G C 0.695 175.672 174.900 0.129 0.000 1.219 629 G CA 0.507 45.687 45.100 0.132 0.000 0.866 629 G HN 0.348 nan 8.290 nan 0.000 0.572 630 V N -2.447 117.523 119.914 0.094 0.000 3.398 630 V HA 0.267 4.387 4.120 -0.001 0.000 0.298 630 V C 1.100 177.273 176.094 0.132 0.000 1.496 630 V CA 0.690 63.058 62.300 0.113 0.000 1.044 630 V CB -0.539 31.314 31.823 0.050 0.000 0.880 630 V HN 0.893 nan 8.190 nan 0.000 0.443 631 T N 0.839 115.429 114.554 0.061 0.000 2.940 631 T HA 0.411 4.761 4.350 -0.001 0.000 0.309 631 T C -2.095 172.552 174.700 -0.090 0.000 1.056 631 T CA -0.640 61.449 62.100 -0.019 0.000 1.137 631 T CB 0.438 69.286 68.868 -0.033 0.000 0.976 631 T HN 0.366 nan 8.240 nan 0.000 0.547 632 P HA 0.463 nan 4.420 nan 0.000 0.273 632 P C -0.550 176.530 177.300 -0.367 0.000 1.250 632 P CA -0.526 62.247 63.100 -0.545 0.000 0.793 632 P CB 0.404 31.792 31.700 -0.521 0.000 1.011 633 I N -0.359 119.901 120.570 -0.516 0.000 2.569 633 I HA 0.201 4.371 4.170 -0.001 0.000 0.290 633 I C -0.184 175.398 176.117 -0.892 0.000 1.088 633 I CA -0.837 60.058 61.300 -0.676 0.000 1.047 633 I CB 2.109 39.550 38.000 -0.932 0.000 1.237 633 I HN 0.245 nan 8.210 nan 0.000 0.421 634 S N 4.325 119.687 115.700 -0.563 0.000 2.465 634 S HA 0.434 4.904 4.470 -0.001 0.000 0.279 634 S C 0.054 174.421 174.600 -0.387 0.000 1.201 634 S CA -0.318 57.650 58.200 -0.386 0.000 1.053 634 S CB 0.368 63.475 63.200 -0.155 0.000 0.953 634 S HN 0.557 nan 8.310 nan 0.000 0.488 635 F N 0.701 120.606 119.950 -0.076 0.000 2.653 635 F HA 0.248 4.774 4.527 -0.001 0.000 0.288 635 F C 2.460 178.287 175.800 0.046 0.000 1.121 635 F CA -0.377 57.592 58.000 -0.052 0.000 1.384 635 F CB 0.008 38.929 39.000 -0.131 0.000 1.115 635 F HN 0.552 nan 8.300 nan 0.000 0.599 636 E N 0.493 120.808 120.200 0.192 0.000 2.033 636 E HA -0.168 4.181 4.350 -0.001 0.000 0.199 636 E C 0.364 177.024 176.600 0.100 0.000 1.011 636 E CA 1.914 58.387 56.400 0.121 0.000 0.815 636 E CB -0.134 29.616 29.700 0.084 0.000 0.755 636 E HN 0.242 nan 8.360 nan 0.000 0.451 637 T N 0.538 115.147 114.554 0.092 0.000 3.428 637 T HA 0.277 4.627 4.350 -0.001 0.000 0.301 637 T C -2.424 172.325 174.700 0.081 0.000 1.323 637 T CA -1.348 60.801 62.100 0.083 0.000 1.647 637 T CB 1.119 70.028 68.868 0.069 0.000 0.871 637 T HN -0.056 nan 8.240 nan 0.000 0.627 638 P HA 0.169 nan 4.420 nan 0.000 0.269 638 P C 1.234 178.575 177.300 0.068 0.000 1.217 638 P CA -0.235 62.928 63.100 0.105 0.000 0.783 638 P CB 1.057 32.869 31.700 0.186 0.000 0.898 639 S N 0.769 116.500 115.700 0.051 0.000 2.345 639 S HA -0.062 4.407 4.470 -0.001 0.000 0.219 639 S C 0.761 175.382 174.600 0.034 0.000 1.031 639 S CA 0.561 58.783 58.200 0.036 0.000 0.984 639 S CB -0.463 62.753 63.200 0.027 0.000 0.874 639 S HN 0.554 nan 8.310 nan 0.000 0.451 640 N N 2.988 121.708 118.700 0.033 0.000 2.776 640 N HA 0.393 5.133 4.740 -0.001 0.000 0.245 640 N C -3.035 172.478 175.510 0.005 0.000 1.121 640 N CA -0.940 52.124 53.050 0.023 0.000 0.852 640 N CB 1.502 40.000 38.487 0.019 0.000 1.142 640 N HN 0.294 nan 8.380 nan 0.000 0.514 641 P HA 0.167 nan 4.420 nan 0.000 0.269 641 P C -2.434 174.813 177.300 -0.088 0.000 1.217 641 P CA -0.620 62.446 63.100 -0.057 0.000 0.783 641 P CB -0.132 31.574 31.700 0.009 0.000 0.898 642 P HA 0.047 nan 4.420 nan 0.000 0.266 642 P C -0.649 176.770 177.300 0.197 0.000 1.195 642 P CA 0.241 63.277 63.100 -0.107 0.000 0.768 642 P CB 0.242 31.757 31.700 -0.308 0.000 0.838 643 L N 1.662 122.993 121.223 0.180 0.000 2.357 643 L HA 0.488 4.828 4.340 -0.001 0.000 0.273 643 L C 0.824 177.736 176.870 0.069 0.000 1.080 643 L CA -0.968 53.955 54.840 0.137 0.000 0.803 643 L CB 0.441 42.525 42.059 0.042 0.000 1.174 643 L HN 0.412 nan 8.230 nan 0.000 0.443 644 A N 3.189 125.757 122.820 -0.421 0.000 2.462 644 A HA 0.291 4.610 4.320 -0.001 0.000 0.243 644 A C 0.476 177.933 177.584 -0.212 0.000 1.076 644 A CA -0.275 51.300 52.037 -0.771 0.000 0.773 644 A CB -0.025 18.352 19.000 -1.038 0.000 1.010 644 A HN 0.753 nan 8.150 nan 0.000 0.493 645 R N 2.525 122.989 120.500 -0.061 0.000 2.230 645 R HA 0.483 4.823 4.340 -0.001 0.000 0.337 645 R C 0.792 177.278 176.300 0.310 0.000 1.063 645 R CA 0.756 56.927 56.100 0.118 0.000 0.935 645 R CB -0.413 29.964 30.300 0.129 0.000 1.121 645 R HN 1.851 nan 8.270 nan 0.000 0.486 646 G N 2.408 111.342 108.800 0.224 0.000 2.569 646 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.259 646 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.259 646 G C -0.948 173.946 174.900 -0.010 0.000 1.263 646 G CA 0.369 45.518 45.100 0.082 0.000 0.928 646 G HN 0.885 nan 8.290 nan 0.000 0.572 647 H N -2.434 116.417 119.070 -0.365 0.000 3.046 647 H HA 0.631 5.187 4.556 -0.000 0.000 0.361 647 H C -1.063 174.159 175.328 -0.177 0.000 1.235 647 H CA -0.080 55.829 56.048 -0.231 0.000 1.146 647 H CB 2.118 31.723 29.762 -0.263 0.000 1.859 647 H HN 0.773 nan 8.280 nan 0.000 0.548 648 V N 4.596 124.367 119.914 -0.238 0.000 2.760 648 V HA 0.419 4.539 4.120 -0.001 0.000 0.309 648 V C -0.639 175.498 176.094 0.071 0.000 1.077 648 V CA -0.597 61.732 62.300 0.048 0.000 0.910 648 V CB 1.825 33.743 31.823 0.158 0.000 1.008 648 V HN 0.574 nan 8.190 nan 0.000 0.424 649 I N 3.258 123.922 120.570 0.157 0.000 2.433 649 I HA 0.787 4.957 4.170 -0.001 0.000 0.292 649 I C 0.233 176.406 176.117 0.094 0.000 1.001 649 I CA -0.190 61.196 61.300 0.144 0.000 1.119 649 I CB 1.972 40.069 38.000 0.162 0.000 1.289 649 I HN 0.740 nan 8.210 nan 0.000 0.438 650 A N 5.027 127.866 122.820 0.032 0.000 2.342 650 A HA 0.949 5.269 4.320 -0.001 0.000 0.323 650 A C -0.760 176.761 177.584 -0.104 0.000 1.125 650 A CA -0.538 51.416 52.037 -0.138 0.000 0.785 650 A CB 1.240 20.114 19.000 -0.211 0.000 1.221 650 A HN 0.773 nan 8.150 nan 0.000 0.463 651 A N 2.125 124.854 122.820 -0.152 0.000 2.356 651 A HA 0.712 5.032 4.320 -0.001 0.000 0.310 651 A C -0.115 177.379 177.584 -0.150 0.000 1.075 651 A CA -0.710 51.258 52.037 -0.114 0.000 0.746 651 A CB 0.794 19.720 19.000 -0.123 0.000 1.221 651 A HN 0.943 nan 8.150 nan 0.000 0.443 652 R N 2.723 123.134 120.500 -0.148 0.000 2.248 652 R HA 0.476 4.816 4.340 -0.001 0.000 0.328 652 R C -0.482 175.679 176.300 -0.230 0.000 1.067 652 R CA -0.179 55.719 56.100 -0.337 0.000 0.924 652 R CB -0.083 30.074 30.300 -0.238 0.000 1.013 652 R HN 0.717 nan 8.270 nan 0.000 0.454 653 I N 1.089 121.503 120.570 -0.260 0.000 2.359 653 I HA 0.519 4.689 4.170 -0.001 0.000 0.294 653 I C -0.080 175.960 176.117 -0.129 0.000 0.987 653 I CA -0.613 60.592 61.300 -0.159 0.000 1.225 653 I CB 2.012 39.931 38.000 -0.135 0.000 1.366 653 I HN 0.511 nan 8.210 nan 0.000 0.466 654 T N 2.882 117.382 114.554 -0.090 0.000 2.598 654 T HA 0.771 5.121 4.350 -0.001 0.000 0.254 654 T C -0.419 174.240 174.700 -0.068 0.000 0.889 654 T CA 0.060 62.132 62.100 -0.048 0.000 1.091 654 T CB 1.440 70.284 68.868 -0.040 0.000 1.437 654 T HN 1.051 nan 8.240 nan 0.000 0.542 668 T N 1.362 115.993 114.554 0.128 0.000 2.910 668 T HA 0.556 4.906 4.350 -0.001 0.000 0.293 668 T C -0.510 174.217 174.700 0.043 0.000 1.015 668 T CA 0.152 62.301 62.100 0.081 0.000 1.094 668 T CB 2.243 71.144 68.868 0.056 0.000 0.968 668 T HN 0.120 nan 8.240 nan 0.000 0.521 669 V N 3.682 123.600 119.914 0.007 0.000 2.443 669 V HA 0.389 4.509 4.120 -0.001 0.000 0.293 669 V C -0.496 175.502 176.094 -0.160 0.000 1.021 669 V CA -0.777 61.501 62.300 -0.036 0.000 0.848 669 V CB 1.685 33.518 31.823 0.016 0.000 0.998 669 V HN 0.705 nan 8.190 nan 0.000 0.424 670 Q N 3.469 123.021 119.800 -0.413 0.000 2.347 670 Q HA 0.431 4.771 4.340 -0.001 0.000 0.262 670 Q C -0.379 175.272 176.000 -0.582 0.000 0.980 670 Q CA -0.141 55.300 55.803 -0.603 0.000 0.867 670 Q CB 1.343 29.414 28.738 -1.113 0.000 1.242 670 Q HN 0.761 nan 8.270 nan 0.000 0.453 671 E N 2.967 122.967 120.200 -0.332 0.000 2.331 671 E HA 0.288 4.637 4.350 -0.001 0.000 0.272 671 E C -0.648 175.690 176.600 -0.436 0.000 1.036 671 E CA -0.228 55.964 56.400 -0.347 0.000 0.864 671 E CB 0.903 30.559 29.700 -0.074 0.000 1.035 671 E HN 0.544 nan 8.360 nan 0.000 0.408 672 L N 3.937 124.788 121.223 -0.620 0.000 2.277 672 L HA 0.330 4.670 4.340 -0.001 0.000 0.284 672 L C -0.333 176.066 176.870 -0.784 0.000 1.028 672 L CA -0.649 53.768 54.840 -0.705 0.000 0.835 672 L CB 0.368 41.965 42.059 -0.769 0.000 1.215 672 L HN 0.381 nan 8.230 nan 0.000 0.425 673 N N 4.019 122.414 118.700 -0.509 0.000 2.422 673 N HA 0.393 5.132 4.740 -0.001 0.000 0.266 673 N C -0.919 174.401 175.510 -0.317 0.000 1.007 673 N CA -0.313 52.588 53.050 -0.248 0.000 0.941 673 N CB 1.600 40.057 38.487 -0.049 0.000 1.115 673 N HN 0.238 nan 8.380 nan 0.000 0.492 674 F N 1.008 120.989 119.950 0.052 0.000 2.408 674 F HA 0.372 4.899 4.527 -0.000 0.000 0.344 674 F C 1.890 177.721 175.800 0.051 0.000 1.112 674 F CA -0.770 57.256 58.000 0.044 0.000 1.096 674 F CB 1.430 40.461 39.000 0.051 0.000 1.129 674 F HN 0.267 nan 8.300 nan 0.000 0.486 675 R N 0.054 120.667 120.500 0.188 0.000 2.240 675 R HA -0.015 4.325 4.340 -0.001 0.000 0.203 675 R C 1.582 177.959 176.300 0.128 0.000 1.011 675 R CA 0.557 56.733 56.100 0.125 0.000 1.007 675 R CB 0.026 30.373 30.300 0.079 0.000 0.911 675 R HN 0.506 nan 8.270 nan 0.000 0.468 676 S N -0.307 115.487 115.700 0.157 0.000 2.597 676 S HA 0.176 4.645 4.470 -0.001 0.000 0.224 676 S C -0.389 174.268 174.600 0.095 0.000 0.955 676 S CA -0.110 58.154 58.200 0.106 0.000 0.933 676 S CB 0.227 63.479 63.200 0.086 0.000 0.788 676 S HN 0.149 nan 8.310 nan 0.000 0.488 677 S N -0.399 115.383 115.700 0.136 0.000 2.579 677 S HA 0.361 4.830 4.470 -0.001 0.000 0.290 677 S C -0.595 174.108 174.600 0.172 0.000 1.123 677 S CA -0.602 57.668 58.200 0.117 0.000 0.894 677 S CB 0.891 64.123 63.200 0.054 0.000 1.095 677 S HN 0.185 nan 8.310 nan 0.000 0.450 678 K N 1.827 122.320 120.400 0.154 0.000 2.374 678 K HA 0.338 4.658 4.320 -0.001 0.000 0.196 678 K C 0.634 177.347 176.600 0.188 0.000 1.023 678 K CA 0.047 56.435 56.287 0.168 0.000 1.103 678 K CB 0.186 32.761 32.500 0.125 0.000 0.848 678 K HN 0.347 nan 8.250 nan 0.000 0.528 679 N N 0.228 119.051 118.700 0.204 0.000 2.235 679 N HA 0.063 4.803 4.740 -0.001 0.000 0.209 679 N C -1.013 174.659 175.510 0.269 0.000 1.122 679 N CA 0.192 53.398 53.050 0.260 0.000 0.845 679 N CB 1.075 39.763 38.487 0.335 0.000 1.004 679 N HN -0.155 nan 8.380 nan 0.000 0.499 680 V N 0.662 120.731 119.914 0.258 0.000 2.588 680 V HA 0.490 4.610 4.120 -0.001 0.000 0.304 680 V C -1.047 175.377 176.094 0.550 0.000 1.042 680 V CA -0.996 61.465 62.300 0.268 0.000 0.877 680 V CB 2.458 34.237 31.823 -0.075 0.000 0.996 680 V HN 0.175 nan 8.190 nan 0.000 0.425 681 W N 3.258 124.797 121.300 0.398 0.000 3.033 681 W HA 0.812 5.471 4.660 -0.001 0.000 0.336 681 W C -0.096 176.768 176.519 0.576 0.000 1.173 681 W CA -0.154 57.471 57.345 0.466 0.000 1.185 681 W CB 2.242 31.862 29.460 0.266 0.000 1.425 681 W HN 0.867 nan 8.180 nan 0.000 0.536 682 G N 2.205 110.775 108.800 -0.384 0.000 2.645 682 G HA2 0.656 4.616 3.960 -0.001 0.000 0.292 682 G HA3 0.656 4.616 3.960 -0.001 0.000 0.292 682 G C -2.305 171.995 174.900 -1.000 0.000 1.415 682 G CA -0.418 44.433 45.100 -0.415 0.000 0.785 682 G HN 1.122 nan 8.290 nan 0.000 0.483 683 Y N -1.451 118.495 120.300 -0.589 0.000 2.624 683 Y HA 0.796 5.345 4.550 -0.001 0.000 0.334 683 Y C -1.578 174.197 175.900 -0.209 0.000 1.155 683 Y CA -2.509 55.281 58.100 -0.516 0.000 1.046 683 Y CB 1.163 39.394 38.460 -0.381 0.000 1.316 683 Y HN 1.025 nan 8.280 nan 0.000 0.457 684 F N 0.142 119.892 119.950 -0.333 0.000 2.599 684 F HA 0.935 5.461 4.527 -0.001 0.000 0.311 684 F C -1.145 174.547 175.800 -0.179 0.000 1.076 684 F CA -1.159 56.575 58.000 -0.443 0.000 0.937 684 F CB 2.144 40.941 39.000 -0.338 0.000 1.282 684 F HN 0.651 nan 8.300 nan 0.000 0.460 685 S N 1.032 116.660 115.700 -0.120 0.000 2.521 685 S HA 0.848 5.317 4.470 -0.001 0.000 0.295 685 S C -0.989 173.525 174.600 -0.143 0.000 1.098 685 S CA -0.709 57.413 58.200 -0.130 0.000 0.999 685 S CB 1.584 64.696 63.200 -0.147 0.000 1.034 685 S HN 0.681 nan 8.310 nan 0.000 0.483 700 F N -1.680 118.273 119.950 0.005 0.000 2.767 700 F HA 0.850 5.377 4.527 -0.001 0.000 0.317 700 F C -0.005 175.740 175.800 -0.092 0.000 1.119 700 F CA -0.166 57.796 58.000 -0.063 0.000 0.971 700 F CB 0.494 39.470 39.000 -0.039 0.000 1.251 700 F HN 1.639 nan 8.300 nan 0.000 0.450 701 G N 0.819 109.460 108.800 -0.266 0.000 2.428 701 G HA2 0.572 4.532 3.960 -0.001 0.000 0.305 701 G HA3 0.572 4.532 3.960 -0.001 0.000 0.305 701 G C -2.560 171.855 174.900 -0.808 0.000 1.260 701 G CA -0.868 43.807 45.100 -0.709 0.000 0.853 701 G HN 1.033 nan 8.290 nan 0.000 0.480 702 H N -2.184 116.515 119.070 -0.618 0.000 2.895 702 H HA 0.668 5.224 4.556 -0.001 0.000 0.373 702 H C -0.851 174.328 175.328 -0.248 0.000 1.174 702 H CA -0.380 55.472 56.048 -0.327 0.000 1.144 702 H CB 2.046 31.623 29.762 -0.308 0.000 1.793 702 H HN 0.630 nan 8.280 nan 0.000 0.551 703 C N 2.231 121.442 119.300 -0.148 0.000 2.435 703 C HA 0.584 5.044 4.460 -0.001 0.000 0.333 703 C C -0.878 174.055 174.990 -0.096 0.000 1.202 703 C CA -0.759 58.279 59.018 0.033 0.000 1.830 703 C CB -0.296 27.456 27.740 0.021 0.000 2.326 703 C HN 0.587 nan 8.230 nan 0.000 0.507 704 F N 1.442 121.560 119.950 0.280 0.000 2.507 704 F HA 0.553 5.080 4.527 -0.001 0.000 0.325 704 F C 0.382 176.306 175.800 0.206 0.000 1.116 704 F CA -0.257 57.889 58.000 0.244 0.000 0.930 704 F CB 1.680 40.855 39.000 0.292 0.000 1.146 704 F HN 0.472 nan 8.300 nan 0.000 0.447 705 S N 3.523 119.406 115.700 0.305 0.000 2.519 705 S HA 0.539 5.009 4.470 -0.001 0.000 0.309 705 S C -1.569 173.199 174.600 0.280 0.000 1.100 705 S CA -0.425 57.911 58.200 0.228 0.000 1.059 705 S CB 0.567 63.822 63.200 0.092 0.000 1.008 705 S HN 0.619 nan 8.310 nan 0.000 0.478 706 W N 3.791 125.157 121.300 0.110 0.000 2.627 706 W HA 0.760 5.420 4.660 -0.000 0.000 0.339 706 W C -0.154 176.407 176.519 0.070 0.000 1.058 706 W CA -0.161 57.236 57.345 0.087 0.000 1.223 706 W CB 1.630 31.130 29.460 0.067 0.000 1.389 706 W HN 0.881 nan 8.180 nan 0.000 0.541 707 G N 2.462 110.586 108.800 -1.126 0.000 2.704 707 G HA2 0.157 4.117 3.960 -0.001 0.000 0.293 707 G HA3 0.157 4.117 3.960 -0.001 0.000 0.293 707 G C 0.028 173.868 174.900 -1.765 0.000 1.421 707 G CA -0.278 44.141 45.100 -1.135 0.000 0.870 707 G HN 0.659 nan 8.290 nan 0.000 0.492 708 E N -0.467 119.080 120.200 -1.088 0.000 2.204 708 E HA -0.119 4.230 4.350 -0.001 0.000 0.195 708 E C 0.576 176.943 176.600 -0.388 0.000 0.990 708 E CA 1.411 57.447 56.400 -0.606 0.000 0.821 708 E CB -0.219 29.358 29.700 -0.205 0.000 0.750 708 E HN 0.531 nan 8.360 nan 0.000 0.477 709 N N -1.555 116.916 118.700 -0.381 0.000 3.039 709 N HA 0.131 4.870 4.740 -0.001 0.000 0.257 709 N C 0.126 175.436 175.510 -0.332 0.000 1.497 709 N CA -0.771 52.114 53.050 -0.275 0.000 0.861 709 N CB 0.838 39.199 38.487 -0.211 0.000 1.479 709 N HN -0.135 nan 8.380 nan 0.000 0.547 710 R N -0.122 120.097 120.500 -0.469 0.000 2.091 710 R HA -0.167 4.173 4.340 -0.001 0.000 0.238 710 R C 1.542 177.626 176.300 -0.360 0.000 1.136 710 R CA 1.959 57.630 56.100 -0.714 0.000 0.959 710 R CB -0.213 29.536 30.300 -0.918 0.000 0.856 710 R HN 0.828 nan 8.270 nan 0.000 0.437 711 E N 0.373 120.413 120.200 -0.267 0.000 2.058 711 E HA -0.275 4.075 4.350 -0.001 0.000 0.194 711 E C 1.855 178.371 176.600 -0.140 0.000 0.997 711 E CA 1.670 57.968 56.400 -0.171 0.000 0.801 711 E CB -0.092 29.524 29.700 -0.140 0.000 0.746 711 E HN 0.461 nan 8.360 nan 0.000 0.450 712 E N -0.250 119.849 120.200 -0.167 0.000 2.110 712 E HA -0.203 4.146 4.350 -0.001 0.000 0.193 712 E C 1.906 178.423 176.600 -0.138 0.000 0.988 712 E CA 0.906 57.216 56.400 -0.149 0.000 0.804 712 E CB -0.121 29.465 29.700 -0.191 0.000 0.745 712 E HN 0.366 nan 8.360 nan 0.000 0.458 713 A N 1.053 123.773 122.820 -0.167 0.000 1.873 713 A HA -0.153 4.166 4.320 -0.001 0.000 0.215 713 A C 2.132 179.707 177.584 -0.016 0.000 1.186 713 A CA 1.291 53.276 52.037 -0.086 0.000 0.616 713 A CB -0.612 18.377 19.000 -0.019 0.000 0.823 713 A HN 0.291 nan 8.150 nan 0.000 0.442 714 I N -0.690 119.875 120.570 -0.009 0.000 2.163 714 I HA -0.243 3.927 4.170 -0.001 0.000 0.243 714 I C 2.841 178.954 176.117 -0.007 0.000 1.085 714 I CA 1.600 62.924 61.300 0.040 0.000 1.347 714 I CB -0.269 37.783 38.000 0.087 0.000 1.044 714 I HN 0.376 nan 8.210 nan 0.000 0.408 715 S N 0.862 116.543 115.700 -0.032 0.000 2.356 715 S HA -0.185 4.284 4.470 -0.001 0.000 0.223 715 S C 1.902 176.477 174.600 -0.041 0.000 1.032 715 S CA 1.763 59.941 58.200 -0.037 0.000 1.005 715 S CB -0.321 62.853 63.200 -0.043 0.000 0.867 715 S HN 0.413 nan 8.310 nan 0.000 0.449 716 N N 1.029 119.706 118.700 -0.038 0.000 2.149 716 N HA -0.100 4.639 4.740 -0.001 0.000 0.188 716 N C 1.593 177.056 175.510 -0.078 0.000 1.019 716 N CA 1.344 54.372 53.050 -0.037 0.000 0.857 716 N CB -0.542 37.944 38.487 -0.001 0.000 0.997 716 N HN 0.443 nan 8.380 nan 0.000 0.426 717 M N 0.459 120.017 119.600 -0.071 0.000 2.175 717 M HA 0.011 4.490 4.480 -0.001 0.000 0.264 717 M C 1.616 177.834 176.300 -0.137 0.000 1.063 717 M CA 1.076 56.308 55.300 -0.114 0.000 1.119 717 M CB -0.279 32.282 32.600 -0.065 0.000 1.377 717 M HN -0.120 nan 8.290 nan 0.000 0.415 718 V N -0.747 119.109 119.914 -0.096 0.000 2.358 718 V HA -0.209 3.910 4.120 -0.001 0.000 0.246 718 V C 2.386 178.428 176.094 -0.087 0.000 1.047 718 V CA 1.579 63.825 62.300 -0.091 0.000 1.035 718 V CB -0.907 30.875 31.823 -0.068 0.000 0.658 718 V HN 0.388 nan 8.190 nan 0.000 0.452 719 V N 0.739 120.606 119.914 -0.078 0.000 2.252 719 V HA -0.334 3.785 4.120 -0.001 0.000 0.249 719 V C 2.757 178.795 176.094 -0.093 0.000 1.056 719 V CA 2.333 64.595 62.300 -0.063 0.000 1.022 719 V CB -1.397 30.399 31.823 -0.044 0.000 0.641 719 V HN 0.563 nan 8.190 nan 0.000 0.445 720 A N -0.288 122.403 122.820 -0.214 0.000 1.902 720 A HA -0.151 4.169 4.320 -0.001 0.000 0.217 720 A C 2.234 179.681 177.584 -0.229 0.000 1.181 720 A CA 1.922 53.694 52.037 -0.441 0.000 0.623 720 A CB -0.570 17.785 19.000 -1.076 0.000 0.818 720 A HN 0.515 nan 8.150 nan 0.000 0.443 721 L N -0.962 120.157 121.223 -0.174 0.000 2.093 721 L HA -0.179 4.161 4.340 -0.001 0.000 0.208 721 L C 2.516 179.376 176.870 -0.016 0.000 1.085 721 L CA 1.595 56.394 54.840 -0.069 0.000 0.755 721 L CB -0.457 41.548 42.059 -0.090 0.000 0.904 721 L HN 0.380 nan 8.230 nan 0.000 0.435 722 K N -0.089 120.295 120.400 -0.027 0.000 2.148 722 K HA -0.207 4.112 4.320 -0.001 0.000 0.204 722 K C 1.990 178.606 176.600 0.026 0.000 1.050 722 K CA 1.114 57.398 56.287 -0.006 0.000 0.942 722 K CB -0.007 32.484 32.500 -0.015 0.000 0.724 722 K HN 0.301 nan 8.250 nan 0.000 0.446 723 E N 1.130 121.364 120.200 0.057 0.000 2.152 723 E HA -0.115 4.235 4.350 -0.001 0.000 0.192 723 E C 1.931 178.608 176.600 0.129 0.000 0.983 723 E CA 0.397 56.861 56.400 0.107 0.000 0.818 723 E CB 0.138 29.947 29.700 0.181 0.000 0.758 723 E HN 0.212 nan 8.360 nan 0.000 0.467 724 L N 1.209 122.530 121.223 0.165 0.000 2.201 724 L HA -0.040 4.300 4.340 -0.001 0.000 0.212 724 L C 1.213 178.117 176.870 0.056 0.000 1.105 724 L CA 1.222 56.154 54.840 0.154 0.000 0.775 724 L CB -0.139 42.042 42.059 0.203 0.000 0.913 724 L HN 0.150 nan 8.230 nan 0.000 0.440 725 S N -0.040 115.681 115.700 0.035 0.000 3.811 725 S HA 0.123 4.593 4.470 -0.001 0.000 0.205 725 S C 1.092 175.697 174.600 0.008 0.000 1.445 725 S CA -0.459 57.746 58.200 0.007 0.000 1.097 725 S CB -0.743 62.456 63.200 -0.002 0.000 1.350 725 S HN 0.512 nan 8.310 nan 0.000 0.471 726 I N -3.078 117.498 120.570 0.011 0.000 4.187 726 I HA 0.520 4.690 4.170 -0.001 0.000 0.326 726 I C 0.507 176.619 176.117 -0.008 0.000 1.302 726 I CA -0.624 60.679 61.300 0.005 0.000 1.196 726 I CB 0.132 38.139 38.000 0.012 0.000 1.095 726 I HN 0.273 nan 8.210 nan 0.000 0.411 732 T N 0.274 114.806 114.554 -0.036 0.000 2.904 732 T HA -0.059 4.291 4.350 -0.001 0.000 0.267 732 T C 1.536 176.229 174.700 -0.012 0.000 1.059 732 T CA 2.161 64.247 62.100 -0.024 0.000 1.137 732 T CB -0.116 68.732 68.868 -0.034 0.000 0.879 732 T HN 0.189 nan 8.240 nan 0.000 0.467 733 T N 1.725 116.263 114.554 -0.026 0.000 2.821 733 T HA -0.051 4.299 4.350 -0.001 0.000 0.267 733 T C 2.028 176.738 174.700 0.018 0.000 1.046 733 T CA 1.571 63.664 62.100 -0.012 0.000 1.139 733 T CB -0.397 68.445 68.868 -0.044 0.000 0.871 733 T HN 0.495 nan 8.240 nan 0.000 0.454 734 V N 0.216 120.124 119.914 -0.010 0.000 2.719 734 V HA 0.019 4.138 4.120 -0.001 0.000 0.252 734 V C 2.223 178.308 176.094 -0.015 0.000 1.065 734 V CA 1.147 63.435 62.300 -0.019 0.000 1.086 734 V CB -0.514 31.292 31.823 -0.029 0.000 0.700 734 V HN 0.225 nan 8.190 nan 0.000 0.467 735 E N 0.106 120.309 120.200 0.006 0.000 2.110 735 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 735 E C 1.984 178.594 176.600 0.018 0.000 0.988 735 E CA 1.928 58.331 56.400 0.004 0.000 0.804 735 E CB -0.446 29.262 29.700 0.013 0.000 0.745 735 E HN 0.831 nan 8.360 nan 0.000 0.458 736 Y N 1.443 121.704 120.300 -0.065 0.000 2.114 736 Y HA -0.194 4.356 4.550 -0.000 0.000 0.284 736 Y C 2.328 178.172 175.900 -0.094 0.000 1.143 736 Y CA 1.363 59.421 58.100 -0.071 0.000 1.135 736 Y CB -0.579 37.840 38.460 -0.067 0.000 0.980 736 Y HN -0.068 nan 8.280 nan 0.000 0.499 737 L N -0.256 120.894 121.223 -0.123 0.000 2.051 737 L HA -0.319 4.021 4.340 -0.001 0.000 0.214 737 L C 2.468 179.175 176.870 -0.272 0.000 1.076 737 L CA 1.825 56.526 54.840 -0.231 0.000 0.758 737 L CB -0.576 41.410 42.059 -0.122 0.000 0.890 737 L HN 0.328 nan 8.230 nan 0.000 0.433 738 I N -0.603 119.858 120.570 -0.182 0.000 2.179 738 I HA -0.285 3.884 4.170 -0.001 0.000 0.242 738 I C 2.190 178.197 176.117 -0.184 0.000 1.088 738 I CA 1.042 62.247 61.300 -0.159 0.000 1.357 738 I CB -0.526 37.416 38.000 -0.097 0.000 1.051 738 I HN 0.373 nan 8.210 nan 0.000 0.409 739 N N 1.265 119.844 118.700 -0.201 0.000 2.069 739 N HA -0.198 4.541 4.740 -0.001 0.000 0.191 739 N C 1.997 177.339 175.510 -0.280 0.000 1.031 739 N CA 1.213 54.141 53.050 -0.204 0.000 0.852 739 N CB -0.631 37.744 38.487 -0.187 0.000 1.018 739 N HN 0.322 nan 8.380 nan 0.000 0.423 740 L N 0.959 121.901 121.223 -0.468 0.000 2.051 740 L HA -0.157 4.183 4.340 -0.001 0.000 0.214 740 L C 1.899 178.518 176.870 -0.419 0.000 1.076 740 L CA 1.259 55.800 54.840 -0.498 0.000 0.758 740 L CB -0.174 41.484 42.059 -0.669 0.000 0.890 740 L HN 0.158 nan 8.230 nan 0.000 0.433 741 L N -1.067 119.904 121.223 -0.421 0.000 2.395 741 L HA -0.103 4.236 4.340 -0.001 0.000 0.218 741 L C 1.908 178.739 176.870 -0.066 0.000 1.130 741 L CA 0.643 55.252 54.840 -0.385 0.000 0.826 741 L CB -0.253 41.621 42.059 -0.308 0.000 0.941 741 L HN 0.324 nan 8.230 nan 0.000 0.451 742 E N -0.517 119.633 120.200 -0.084 0.000 2.476 742 E HA 0.017 4.366 4.350 -0.001 0.000 0.199 742 E C 0.678 177.275 176.600 -0.005 0.000 1.021 742 E CA 0.008 56.392 56.400 -0.028 0.000 0.907 742 E CB 0.402 30.072 29.700 -0.051 0.000 0.974 742 E HN 0.390 nan 8.360 nan 0.000 0.489 743 T N -0.803 113.749 114.554 -0.003 0.000 2.919 743 T HA 0.082 4.432 4.350 -0.001 0.000 0.302 743 T C 0.877 175.612 174.700 0.057 0.000 1.031 743 T CA -0.391 61.719 62.100 0.017 0.000 1.127 743 T CB 1.354 70.226 68.868 0.007 0.000 0.952 743 T HN -0.008 nan 8.240 nan 0.000 0.540 744 E N 1.633 121.850 120.200 0.028 0.000 2.268 744 E HA -0.104 4.246 4.350 -0.001 0.000 0.195 744 E C 2.190 178.802 176.600 0.020 0.000 0.995 744 E CA 0.780 57.189 56.400 0.015 0.000 0.836 744 E CB -0.189 29.510 29.700 -0.002 0.000 0.763 744 E HN 0.697 nan 8.360 nan 0.000 0.491 745 S N 0.273 115.997 115.700 0.041 0.000 2.374 745 S HA -0.218 4.252 4.470 -0.001 0.000 0.227 745 S C 1.595 176.238 174.600 0.072 0.000 1.037 745 S CA 1.247 59.477 58.200 0.050 0.000 1.024 745 S CB -0.218 63.021 63.200 0.064 0.000 0.861 745 S HN 0.420 nan 8.310 nan 0.000 0.456 746 F N 1.107 121.034 119.950 -0.039 0.000 2.270 746 F HA 0.156 4.682 4.527 -0.000 0.000 0.295 746 F C 2.367 178.136 175.800 -0.052 0.000 1.087 746 F CA 0.965 58.939 58.000 -0.044 0.000 1.365 746 F CB -0.207 38.758 39.000 -0.059 0.000 1.056 746 F HN 0.172 nan 8.300 nan 0.000 0.506 747 Q N 0.243 120.007 119.800 -0.061 0.000 2.439 747 Q HA -0.131 4.209 4.340 -0.001 0.000 0.211 747 Q C 1.200 177.083 176.000 -0.194 0.000 0.978 747 Q CA 1.244 56.957 55.803 -0.150 0.000 0.897 747 Q CB -0.126 28.581 28.738 -0.052 0.000 0.956 747 Q HN 0.356 nan 8.270 nan 0.000 0.483 748 N N -0.826 117.776 118.700 -0.164 0.000 2.407 748 N HA 0.064 4.803 4.740 -0.001 0.000 0.182 748 N C -0.325 175.096 175.510 -0.148 0.000 1.079 748 N CA 0.203 53.174 53.050 -0.131 0.000 0.882 748 N CB 0.461 38.905 38.487 -0.072 0.000 1.106 748 N HN 0.054 nan 8.380 nan 0.000 0.461 749 N N 0.000 118.590 118.700 -0.184 0.000 1.763 749 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 749 N CA 0.000 52.968 53.050 -0.137 0.000 0.885 749 N CB 0.000 38.410 38.487 -0.129 0.000 1.341 749 N HN 0.000 nan 8.380 nan 0.000 0.667