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 2hx4_1_A DATA FIRST_RESID 299 DATA SEQUENCE RFLKVKNWET DVVLTDTLHL KSTLETGCTE HICMGSIMLP XXXXXXXXXX DATA SEQUENCE XTKDQLFPLA KEFLDQYYSS IKRFGSKAHM DRLEEVNKEI ESTSTYQLKD DATA SEQUENCE TELIYGAKHA WRNASRCVGR IQWSKLQVFD ARDCTTAHGM FNYICNHVKY DATA SEQUENCE ATNKGNLRSA ITIFPQRTDG KHDFRVWNSQ LIRYAGYKQP DGSTLGDPAN DATA SEQUENCE VQFTEICIQQ GWKAPRGRFD VLPLLLQANG NDPELFQIPP ELVLEVPIRH DATA SEQUENCE PKFDWFKDLG LKWYGLPAVS NMLLEIGGLE FSACPFSGWY MGTEIGVRDY DATA SEQUENCE CDNSRYNILE EVAKKMDLDM RKTSSLWKDQ ALVEINIAVL YSFQSDKVTI DATA SEQUENCE VDHHSATESF IKHMENEYRC RGGCPADWVW IVPPMSGSIT PVFHQEMLNY DATA SEQUENCE RLTPSFEYQP DPWNTHVW 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 299 R HA 0.000 nan 4.340 nan 0.000 0.208 299 R C 0.000 176.577 176.300 0.462 0.000 0.893 299 R CA 0.000 56.296 56.100 0.327 0.000 0.921 299 R CB 0.000 30.519 30.300 0.366 0.000 0.687 300 F N 3.219 123.227 119.950 0.096 0.000 2.300 300 F HA 0.477 3.738 4.527 -2.109 0.000 0.364 300 F C -0.225 175.621 175.800 0.076 0.000 1.090 300 F CA -0.894 57.170 58.000 0.107 0.000 1.200 300 F CB 0.569 39.601 39.000 0.053 0.000 1.493 300 F HN -0.028 nan 8.300 nan 0.000 0.518 301 L N 3.233 124.549 121.223 0.155 0.000 2.439 301 L HA 0.277 3.352 4.340 -2.109 0.000 0.269 301 L C 0.296 177.210 176.870 0.075 0.000 1.179 301 L CA -0.112 54.750 54.840 0.037 0.000 0.828 301 L CB 0.600 42.563 42.059 -0.160 0.000 1.106 301 L HN 0.384 nan 8.230 nan 0.000 0.467 302 K N 1.766 122.198 120.400 0.053 0.000 2.259 302 K HA 0.703 3.757 4.320 -2.109 0.000 0.249 302 K C -1.184 175.421 176.600 0.008 0.000 0.942 302 K CA -0.787 55.522 56.287 0.036 0.000 0.816 302 K CB 2.632 35.144 32.500 0.019 0.000 1.155 302 K HN 0.414 nan 8.250 nan 0.000 0.428 303 V N -1.066 118.822 119.914 -0.044 0.000 2.656 303 V HA 0.583 3.438 4.120 -2.109 0.000 0.307 303 V C -0.816 175.210 176.094 -0.113 0.000 1.051 303 V CA -0.945 61.326 62.300 -0.048 0.000 0.893 303 V CB 1.592 33.381 31.823 -0.057 0.000 0.999 303 V HN 0.766 nan 8.190 nan 0.000 0.426 304 K N 3.232 123.577 120.400 -0.092 0.000 2.259 304 K HA 0.473 3.527 4.320 -2.109 0.000 0.249 304 K C -0.941 175.549 176.600 -0.184 0.000 0.942 304 K CA -0.716 55.430 56.287 -0.235 0.000 0.816 304 K CB 1.956 34.176 32.500 -0.466 0.000 1.155 304 K HN 0.907 nan 8.250 nan 0.000 0.428 305 N N 3.742 122.323 118.700 -0.198 0.000 2.437 305 N HA 0.108 3.583 4.740 -2.109 0.000 0.259 305 N C -0.380 175.068 175.510 -0.103 0.000 0.983 305 N CA -0.368 52.672 53.050 -0.017 0.000 0.937 305 N CB 0.515 39.013 38.487 0.019 0.000 1.122 305 N HN 0.668 nan 8.380 nan 0.000 0.499 306 W N 2.041 123.418 121.300 0.128 0.000 3.077 306 W HA 0.143 3.538 4.660 -2.109 0.000 0.245 306 W C 1.961 178.531 176.519 0.085 0.000 1.316 306 W CA -0.160 57.255 57.345 0.117 0.000 1.537 306 W CB 0.339 29.892 29.460 0.155 0.000 1.131 306 W HN 0.660 nan 8.180 nan 0.000 0.695 307 E N -0.264 120.054 120.200 0.197 0.000 2.290 307 E HA -0.082 3.003 4.350 -2.109 0.000 0.197 307 E C 1.726 178.335 176.600 0.016 0.000 0.948 307 E CA 1.560 57.981 56.400 0.035 0.000 0.895 307 E CB 0.204 29.850 29.700 -0.091 0.000 0.865 307 E HN 0.195 nan 8.360 nan 0.000 0.486 308 T N -2.807 111.755 114.554 0.013 0.000 3.040 308 T HA 0.141 3.226 4.350 -2.109 0.000 0.266 308 T C 0.353 175.020 174.700 -0.055 0.000 1.005 308 T CA 0.251 62.342 62.100 -0.016 0.000 0.906 308 T CB 0.369 69.234 68.868 -0.006 0.000 1.082 308 T HN 0.046 nan 8.240 nan 0.000 0.531 309 D N 0.332 120.671 120.400 -0.102 0.000 3.006 309 D HA -0.137 3.237 4.640 -2.109 0.000 0.208 309 D C 0.087 176.289 176.300 -0.163 0.000 1.116 309 D CA 0.575 54.471 54.000 -0.174 0.000 0.998 309 D CB -1.766 38.958 40.800 -0.127 0.000 1.124 309 D HN 0.434 nan 8.370 nan 0.000 0.413 310 V N 1.045 120.886 119.914 -0.122 0.000 2.673 310 V HA 0.112 2.966 4.120 -2.109 0.000 0.303 310 V C 0.878 176.878 176.094 -0.156 0.000 1.046 310 V CA 0.213 62.445 62.300 -0.113 0.000 1.126 310 V CB 1.663 33.434 31.823 -0.086 0.000 0.934 310 V HN -0.035 nan 8.190 nan 0.000 0.487 311 V N 6.572 126.400 119.914 -0.144 0.000 2.483 311 V HA 0.500 3.355 4.120 -2.109 0.000 0.297 311 V C -0.288 175.719 176.094 -0.146 0.000 1.027 311 V CA -0.483 61.724 62.300 -0.156 0.000 0.855 311 V CB 1.623 33.366 31.823 -0.133 0.000 0.995 311 V HN 0.637 nan 8.190 nan 0.000 0.424 312 L N 3.266 124.359 121.223 -0.217 0.000 2.334 312 L HA 0.724 3.799 4.340 -2.109 0.000 0.273 312 L C 0.125 176.940 176.870 -0.093 0.000 1.013 312 L CA -0.455 54.237 54.840 -0.247 0.000 0.816 312 L CB 2.261 43.863 42.059 -0.761 0.000 1.278 312 L HN 0.495 nan 8.230 nan 0.000 0.431 313 T N 0.130 114.746 114.554 0.104 0.000 2.824 313 T HA 0.247 3.332 4.350 -2.109 0.000 0.280 313 T C -0.876 174.020 174.700 0.326 0.000 0.995 313 T CA -0.394 61.814 62.100 0.180 0.000 1.009 313 T CB 1.499 70.470 68.868 0.172 0.000 0.955 313 T HN 0.462 nan 8.240 nan 0.000 0.452 314 D N 1.628 122.187 120.400 0.266 0.000 2.408 314 D HA 0.299 3.674 4.640 -2.109 0.000 0.243 314 D C 0.672 177.005 176.300 0.055 0.000 1.075 314 D CA -0.411 53.718 54.000 0.215 0.000 0.832 314 D CB 1.652 42.633 40.800 0.302 0.000 1.162 314 D HN 0.640 nan 8.370 nan 0.000 0.515 315 T N 0.930 115.391 114.554 -0.156 0.000 2.955 315 T HA -0.033 3.052 4.350 -2.109 0.000 0.251 315 T C 1.873 176.312 174.700 -0.435 0.000 1.002 315 T CA -0.215 61.620 62.100 -0.441 0.000 0.970 315 T CB 0.106 68.603 68.868 -0.618 0.000 1.091 315 T HN 0.238 nan 8.240 nan 0.000 0.495 316 L N 3.380 124.434 121.223 -0.282 0.000 2.129 316 L HA -0.169 2.906 4.340 -2.109 0.000 0.212 316 L C 2.540 179.192 176.870 -0.364 0.000 1.087 316 L CA 2.070 56.763 54.840 -0.246 0.000 0.757 316 L CB -0.981 40.998 42.059 -0.134 0.000 0.896 316 L HN 0.612 nan 8.230 nan 0.000 0.434 317 H N -1.189 117.486 119.070 -0.659 0.000 2.489 317 H HA -0.137 3.153 4.556 -2.109 0.000 0.293 317 H C 2.027 177.024 175.328 -0.553 0.000 1.066 317 H CA 1.506 56.860 56.048 -1.157 0.000 1.305 317 H CB -0.710 28.235 29.762 -1.363 0.000 1.386 317 H HN 0.458 nan 8.280 nan 0.000 0.551 318 L N 0.806 121.376 121.223 -1.088 0.000 2.131 318 L HA -0.156 2.919 4.340 -2.109 0.000 0.210 318 L C 2.392 179.050 176.870 -0.353 0.000 1.092 318 L CA 1.526 55.949 54.840 -0.696 0.000 0.759 318 L CB -0.277 41.425 42.059 -0.595 0.000 0.903 318 L HN 0.236 nan 8.230 nan 0.000 0.435 319 K N -0.470 119.753 120.400 -0.295 0.000 2.432 319 K HA 0.001 3.055 4.320 -2.109 0.000 0.196 319 K C 1.087 177.629 176.600 -0.096 0.000 1.038 319 K CA -0.010 56.181 56.287 -0.159 0.000 0.986 319 K CB -0.047 32.378 32.500 -0.125 0.000 0.782 319 K HN 0.105 nan 8.250 nan 0.000 0.485 320 S N 0.412 116.045 115.700 -0.112 0.000 2.554 320 S HA -0.089 3.115 4.470 -2.109 0.000 0.290 320 S C 1.036 175.633 174.600 -0.005 0.000 1.309 320 S CA 0.554 58.751 58.200 -0.005 0.000 1.047 320 S CB 0.780 63.989 63.200 0.015 0.000 0.828 320 S HN 0.305 nan 8.310 nan 0.000 0.509 321 T N 3.656 118.225 114.554 0.024 0.000 3.105 321 T HA 0.316 3.400 4.350 -2.109 0.000 0.257 321 T C 0.436 175.150 174.700 0.022 0.000 0.949 321 T CA -0.198 61.910 62.100 0.014 0.000 0.959 321 T CB -0.262 68.612 68.868 0.010 0.000 1.205 321 T HN 0.537 nan 8.240 nan 0.000 0.496 322 L N 2.136 123.377 121.223 0.031 0.000 2.475 322 L HA 0.488 3.562 4.340 -2.109 0.000 0.253 322 L C 0.509 177.402 176.870 0.039 0.000 1.198 322 L CA -0.565 54.292 54.840 0.028 0.000 0.814 322 L CB 0.469 42.540 42.059 0.020 0.000 1.134 322 L HN 0.261 nan 8.230 nan 0.000 0.478 323 E N -0.653 119.567 120.200 0.033 0.000 2.312 323 E HA 0.130 3.215 4.350 -2.109 0.000 0.259 323 E C 0.245 176.871 176.600 0.043 0.000 1.122 323 E CA 0.073 56.496 56.400 0.038 0.000 0.922 323 E CB 1.160 30.879 29.700 0.032 0.000 1.109 323 E HN 0.716 nan 8.360 nan 0.000 0.442 324 T N -2.368 112.214 114.554 0.047 0.000 3.010 324 T HA 0.298 3.382 4.350 -2.109 0.000 0.257 324 T C 1.279 176.006 174.700 0.045 0.000 1.020 324 T CA 0.341 62.470 62.100 0.049 0.000 0.938 324 T CB 0.502 69.407 68.868 0.061 0.000 1.049 324 T HN 0.738 nan 8.240 nan 0.000 0.522 325 G N 0.699 109.524 108.800 0.042 0.000 2.268 325 G HA2 -0.264 2.431 3.960 -2.109 0.000 0.240 325 G HA3 -0.264 2.431 3.960 -2.109 0.000 0.240 325 G C 0.324 175.249 174.900 0.041 0.000 1.010 325 G CA -0.118 45.007 45.100 0.042 0.000 0.618 325 G HN 0.757 nan 8.290 nan 0.000 0.516 326 C N 1.401 120.725 119.300 0.039 0.000 2.362 326 C HA 0.897 4.091 4.460 -2.109 0.000 0.363 326 C C 1.021 176.027 174.990 0.027 0.000 1.220 326 C CA 0.487 59.525 59.018 0.034 0.000 2.379 326 C CB 1.025 28.784 27.740 0.031 0.000 2.351 326 C HN 1.026 nan 8.230 nan 0.000 0.582 327 T N -1.541 113.026 114.554 0.021 0.000 2.831 327 T HA 0.414 3.499 4.350 -2.109 0.000 0.287 327 T C 0.193 174.867 174.700 -0.043 0.000 1.070 327 T CA -0.497 61.604 62.100 0.002 0.000 1.010 327 T CB 1.116 70.006 68.868 0.037 0.000 1.264 327 T HN 0.548 nan 8.240 nan 0.000 0.532 328 E N -0.407 119.710 120.200 -0.138 0.000 2.418 328 E HA 0.019 3.104 4.350 -2.109 0.000 0.197 328 E C 1.422 177.863 176.600 -0.265 0.000 1.026 328 E CA 0.790 57.056 56.400 -0.222 0.000 0.862 328 E CB -0.141 29.367 29.700 -0.320 0.000 0.799 328 E HN 0.560 nan 8.360 nan 0.000 0.518 329 H N -0.899 118.177 119.070 0.010 0.000 2.595 329 H HA 0.377 3.667 4.556 -2.109 0.000 0.265 329 H C 0.238 175.570 175.328 0.007 0.000 0.953 329 H CA 0.271 56.323 56.048 0.008 0.000 1.197 329 H CB 1.042 30.809 29.762 0.008 0.000 1.438 329 H HN 0.109 nan 8.280 nan 0.000 0.531 330 I N 0.351 120.981 120.570 0.101 0.000 2.692 330 I HA 0.187 3.092 4.170 -2.109 0.000 0.293 330 I C -1.179 174.962 176.117 0.040 0.000 1.200 330 I CA -0.755 60.585 61.300 0.067 0.000 1.036 330 I CB 2.248 40.289 38.000 0.069 0.000 1.258 330 I HN 0.014 nan 8.210 nan 0.000 0.421 331 C N 7.625 126.943 119.300 0.030 0.000 2.329 331 C HA 0.581 3.776 4.460 -2.109 0.000 0.329 331 C C 0.612 175.622 174.990 0.033 0.000 1.275 331 C CA -0.468 58.565 59.018 0.025 0.000 1.726 331 C CB 0.639 28.386 27.740 0.011 0.000 2.291 331 C HN 0.848 nan 8.230 nan 0.000 0.514 332 M N 4.895 124.520 119.600 0.041 0.000 2.685 332 M HA 0.212 3.427 4.480 -2.109 0.000 0.355 332 M C 1.740 178.078 176.300 0.063 0.000 1.197 332 M CA -0.023 55.306 55.300 0.050 0.000 0.947 332 M CB 0.242 32.871 32.600 0.049 0.000 1.346 332 M HN 0.979 nan 8.290 nan 0.000 0.516 333 G N 1.264 110.101 108.800 0.061 0.000 2.499 333 G HA2 -0.216 2.479 3.960 -2.109 0.000 0.221 333 G HA3 -0.216 2.479 3.960 -2.109 0.000 0.221 333 G C 1.368 176.341 174.900 0.122 0.000 1.109 333 G CA 1.531 46.681 45.100 0.083 0.000 0.749 333 G HN 0.585 nan 8.290 nan 0.000 0.568 334 S N -0.510 115.255 115.700 0.109 0.000 2.554 334 S HA 0.398 3.603 4.470 -2.109 0.000 0.226 334 S C 0.547 175.228 174.600 0.135 0.000 0.980 334 S CA -0.663 57.619 58.200 0.136 0.000 0.939 334 S CB 0.202 63.463 63.200 0.102 0.000 0.832 334 S HN 0.026 nan 8.310 nan 0.000 0.486 335 I N 2.725 123.366 120.570 0.118 0.000 2.416 335 I HA 0.211 3.116 4.170 -2.109 0.000 0.288 335 I C 1.683 177.886 176.117 0.143 0.000 1.051 335 I CA -0.118 61.245 61.300 0.105 0.000 1.375 335 I CB 0.523 38.568 38.000 0.076 0.000 1.407 335 I HN 0.275 nan 8.210 nan 0.000 0.516 336 M N 5.796 125.483 119.600 0.145 0.000 2.086 336 M HA -0.091 3.123 4.480 -2.109 0.000 0.261 336 M C 0.488 176.846 176.300 0.096 0.000 1.067 336 M CA 1.846 57.255 55.300 0.182 0.000 1.116 336 M CB -0.173 32.509 32.600 0.137 0.000 1.348 336 M HN 0.405 nan 8.290 nan 0.000 0.407 337 L N 0.443 121.686 121.223 0.033 0.000 2.502 337 L HA 0.372 3.447 4.340 -2.109 0.000 0.247 337 L C -2.128 174.772 176.870 0.049 0.000 1.180 337 L CA -1.648 53.201 54.840 0.016 0.000 0.956 337 L CB -0.203 41.808 42.059 -0.081 0.000 1.282 337 L HN -0.008 nan 8.230 nan 0.000 0.470 351 K N 0.875 121.300 120.400 0.041 0.000 2.103 351 K HA -0.136 2.918 4.320 -2.109 0.000 0.207 351 K C 1.053 177.695 176.600 0.070 0.000 1.048 351 K CA 1.559 57.876 56.287 0.050 0.000 0.930 351 K CB 0.018 32.533 32.500 0.026 0.000 0.716 351 K HN 0.476 nan 8.250 nan 0.000 0.444 352 D N 0.943 121.378 120.400 0.057 0.000 2.144 352 D HA -0.133 3.242 4.640 -2.109 0.000 0.200 352 D C 1.954 178.299 176.300 0.075 0.000 0.978 352 D CA 1.186 55.226 54.000 0.067 0.000 0.833 352 D CB -0.064 40.763 40.800 0.045 0.000 0.961 352 D HN 0.297 nan 8.370 nan 0.000 0.470 353 Q N -0.344 119.492 119.800 0.060 0.000 2.096 353 Q HA -0.038 3.037 4.340 -2.109 0.000 0.197 353 Q C 2.044 178.082 176.000 0.062 0.000 0.964 353 Q CA 0.341 56.175 55.803 0.051 0.000 0.838 353 Q CB -0.004 28.757 28.738 0.039 0.000 0.906 353 Q HN 0.146 nan 8.270 nan 0.000 0.444 354 L N 0.165 121.439 121.223 0.085 0.000 1.994 354 L HA -0.140 2.935 4.340 -2.109 0.000 0.208 354 L C 2.030 178.969 176.870 0.115 0.000 1.071 354 L CA 1.678 56.583 54.840 0.108 0.000 0.745 354 L CB -0.797 41.340 42.059 0.130 0.000 0.892 354 L HN 0.156 nan 8.230 nan 0.000 0.431 355 F N 1.917 121.853 119.950 -0.024 0.000 2.126 355 F HA -0.094 3.167 4.527 -2.110 0.000 0.299 355 F C -0.570 175.218 175.800 -0.019 0.000 1.096 355 F CA 1.503 59.469 58.000 -0.055 0.000 1.255 355 F CB -1.779 37.188 39.000 -0.054 0.000 0.997 355 F HN 0.215 nan 8.300 nan 0.000 0.479 356 P HA -0.195 nan 4.420 nan 0.000 0.216 356 P C 2.189 179.380 177.300 -0.182 0.000 1.153 356 P CA 1.764 64.719 63.100 -0.241 0.000 0.848 356 P CB -0.231 31.427 31.700 -0.070 0.000 0.787 357 L N -0.292 120.889 121.223 -0.071 0.000 2.017 357 L HA -0.157 2.918 4.340 -2.109 0.000 0.208 357 L C 2.894 179.789 176.870 0.042 0.000 1.073 357 L CA 1.801 56.643 54.840 0.003 0.000 0.745 357 L CB -1.407 40.677 42.059 0.042 0.000 0.894 357 L HN -0.054 nan 8.230 nan 0.000 0.432 358 A N 0.047 122.868 122.820 0.001 0.000 1.908 358 A HA -0.268 2.787 4.320 -2.109 0.000 0.218 358 A C 2.403 179.987 177.584 -0.000 0.000 1.181 358 A CA 2.092 54.161 52.037 0.053 0.000 0.627 358 A CB -0.479 18.388 19.000 -0.222 0.000 0.818 358 A HN 0.356 nan 8.150 nan 0.000 0.445 359 K N -0.166 120.064 120.400 -0.283 0.000 2.026 359 K HA -0.217 2.837 4.320 -2.109 0.000 0.208 359 K C 2.146 178.721 176.600 -0.041 0.000 1.048 359 K CA 1.670 57.796 56.287 -0.268 0.000 0.929 359 K CB -0.235 31.927 32.500 -0.564 0.000 0.713 359 K HN 0.627 nan 8.250 nan 0.000 0.439 360 E N -0.146 120.044 120.200 -0.018 0.000 2.058 360 E HA -0.248 2.837 4.350 -2.109 0.000 0.194 360 E C 1.937 178.613 176.600 0.128 0.000 0.997 360 E CA 1.413 57.846 56.400 0.054 0.000 0.801 360 E CB -0.275 29.454 29.700 0.049 0.000 0.746 360 E HN 0.364 nan 8.360 nan 0.000 0.450 361 F N 1.593 121.570 119.950 0.045 0.000 2.051 361 F HA -0.169 3.094 4.527 -2.108 0.000 0.296 361 F C 2.088 177.961 175.800 0.121 0.000 1.122 361 F CA 1.578 59.635 58.000 0.095 0.000 1.201 361 F CB -0.575 38.496 39.000 0.118 0.000 0.978 361 F HN 0.002 nan 8.300 nan 0.000 0.472 362 L N 0.080 121.239 121.223 -0.108 0.000 2.079 362 L HA -0.256 2.819 4.340 -2.109 0.000 0.210 362 L C 2.264 179.100 176.870 -0.057 0.000 1.081 362 L CA 1.581 56.364 54.840 -0.095 0.000 0.752 362 L CB -0.927 41.227 42.059 0.159 0.000 0.896 362 L HN 0.168 nan 8.230 nan 0.000 0.433 363 D N -0.177 120.243 120.400 0.032 0.000 2.117 363 D HA -0.212 3.163 4.640 -2.109 0.000 0.198 363 D C 2.254 178.563 176.300 0.014 0.000 0.982 363 D CA 1.608 55.684 54.000 0.127 0.000 0.828 363 D CB -0.171 40.816 40.800 0.313 0.000 0.967 363 D HN 0.580 nan 8.370 nan 0.000 0.464 364 Q N -0.208 119.550 119.800 -0.069 0.000 2.119 364 Q HA -0.202 2.872 4.340 -2.109 0.000 0.201 364 Q C 2.247 178.048 176.000 -0.331 0.000 0.972 364 Q CA 0.943 56.673 55.803 -0.122 0.000 0.847 364 Q CB -0.658 28.078 28.738 -0.003 0.000 0.903 364 Q HN 0.301 nan 8.270 nan 0.000 0.433 365 Y N 0.747 120.620 120.300 -0.711 0.000 2.145 365 Y HA -0.239 3.046 4.550 -2.108 0.000 0.286 365 Y C 1.472 176.879 175.900 -0.820 0.000 1.145 365 Y CA 1.471 58.872 58.100 -1.164 0.000 1.148 365 Y CB -0.535 37.115 38.460 -1.350 0.000 0.981 365 Y HN 0.118 nan 8.280 nan 0.000 0.507 366 Y N -0.906 118.915 120.300 -0.798 0.000 2.439 366 Y HA -0.129 3.156 4.550 -2.109 0.000 0.292 366 Y C 2.993 178.639 175.900 -0.424 0.000 1.130 366 Y CA 1.524 59.182 58.100 -0.738 0.000 1.254 366 Y CB -0.462 37.517 38.460 -0.800 0.000 1.000 366 Y HN 0.204 nan 8.280 nan 0.000 0.554 367 S N -0.663 114.944 115.700 -0.155 0.000 2.406 367 S HA -0.167 3.038 4.470 -2.109 0.000 0.228 367 S C 2.319 176.808 174.600 -0.185 0.000 1.020 367 S CA 1.280 59.425 58.200 -0.091 0.000 0.965 367 S CB -0.531 62.549 63.200 -0.200 0.000 0.798 367 S HN 0.572 nan 8.310 nan 0.000 0.488 368 S N 2.067 117.586 115.700 -0.303 0.000 2.402 368 S HA -0.027 3.178 4.470 -2.109 0.000 0.229 368 S C 1.674 176.139 174.600 -0.226 0.000 1.021 368 S CA 0.999 59.068 58.200 -0.219 0.000 0.974 368 S CB -0.906 62.165 63.200 -0.215 0.000 0.800 368 S HN 0.800 nan 8.310 nan 0.000 0.484 369 I N -2.367 117.968 120.570 -0.390 0.000 3.861 369 I HA 0.408 3.313 4.170 -2.109 0.000 0.329 369 I C 0.030 176.046 176.117 -0.169 0.000 1.321 369 I CA -0.441 60.676 61.300 -0.305 0.000 1.126 369 I CB -0.547 37.158 38.000 -0.492 0.000 1.018 369 I HN 0.044 nan 8.210 nan 0.000 0.407 370 K N 1.716 122.047 120.400 -0.114 0.000 3.129 370 K HA -0.162 2.892 4.320 -2.109 0.000 0.273 370 K C 0.212 176.816 176.600 0.007 0.000 1.123 370 K CA 0.636 56.902 56.287 -0.035 0.000 0.800 370 K CB -1.364 31.120 32.500 -0.028 0.000 1.238 370 K HN 0.578 nan 8.250 nan 0.000 0.492 371 R N 0.321 120.838 120.500 0.028 0.000 2.698 371 R HA 0.149 3.223 4.340 -2.109 0.000 0.422 371 R C -0.462 175.919 176.300 0.135 0.000 1.073 371 R CA -0.468 55.685 56.100 0.089 0.000 1.054 371 R CB 0.282 30.664 30.300 0.138 0.000 1.373 371 R HN 0.086 nan 8.270 nan 0.000 0.593 372 F N 1.202 121.159 119.950 0.012 0.000 2.538 372 F HA 0.226 3.487 4.527 -2.110 0.000 0.371 372 F C 1.329 177.220 175.800 0.152 0.000 1.087 372 F CA 0.990 59.034 58.000 0.074 0.000 1.250 372 F CB 0.814 39.821 39.000 0.012 0.000 1.110 372 F HN 0.460 nan 8.300 nan 0.000 0.570 373 G N 4.137 112.671 108.800 -0.444 0.000 2.338 373 G HA2 -0.165 2.530 3.960 -2.109 0.000 0.296 373 G HA3 -0.165 2.530 3.960 -2.109 0.000 0.296 373 G C -0.093 174.664 174.900 -0.238 0.000 1.040 373 G CA 0.399 45.196 45.100 -0.506 0.000 1.004 373 G HN 1.179 nan 8.290 nan 0.000 0.509 374 S N -1.670 113.924 115.700 -0.176 0.000 2.739 374 S HA 0.709 3.913 4.470 -2.109 0.000 0.306 374 S C 1.265 175.760 174.600 -0.174 0.000 1.115 374 S CA 0.042 58.170 58.200 -0.121 0.000 0.985 374 S CB 2.122 65.292 63.200 -0.049 0.000 1.133 374 S HN 0.331 nan 8.310 nan 0.000 0.541 375 K N 0.109 120.435 120.400 -0.123 0.000 2.057 375 K HA -0.016 3.039 4.320 -2.109 0.000 0.206 375 K C 2.258 178.776 176.600 -0.136 0.000 1.050 375 K CA 1.215 57.428 56.287 -0.123 0.000 0.935 375 K CB -0.889 31.566 32.500 -0.075 0.000 0.715 375 K HN 0.735 nan 8.250 nan 0.000 0.439 376 A N 0.867 123.626 122.820 -0.101 0.000 1.917 376 A HA -0.267 2.788 4.320 -2.109 0.000 0.219 376 A C 2.021 179.407 177.584 -0.330 0.000 1.182 376 A CA 1.978 53.968 52.037 -0.078 0.000 0.633 376 A CB -1.044 18.000 19.000 0.074 0.000 0.819 376 A HN 0.648 nan 8.150 nan 0.000 0.448 377 H N -1.143 117.450 119.070 -0.796 0.000 2.253 377 H HA -0.152 3.138 4.556 -2.109 0.000 0.299 377 H C 2.197 177.145 175.328 -0.633 0.000 1.064 377 H CA 1.638 56.885 56.048 -1.336 0.000 1.264 377 H CB -0.152 29.025 29.762 -0.975 0.000 1.371 377 H HN 0.335 nan 8.280 nan 0.000 0.493 378 M N 1.011 120.332 119.600 -0.464 0.000 2.089 378 M HA -0.204 3.011 4.480 -2.109 0.000 0.257 378 M C 1.819 178.004 176.300 -0.191 0.000 1.071 378 M CA 1.356 56.432 55.300 -0.374 0.000 1.096 378 M CB -0.919 31.492 32.600 -0.315 0.000 1.330 378 M HN 0.406 nan 8.290 nan 0.000 0.403 379 D N -0.009 120.301 120.400 -0.151 0.000 2.103 379 D HA -0.197 3.178 4.640 -2.109 0.000 0.190 379 D C 2.014 178.299 176.300 -0.026 0.000 0.997 379 D CA 1.766 55.722 54.000 -0.073 0.000 0.833 379 D CB -0.421 40.349 40.800 -0.049 0.000 0.961 379 D HN 0.325 nan 8.370 nan 0.000 0.447 380 R N 0.454 120.953 120.500 -0.002 0.000 2.105 380 R HA -0.128 2.946 4.340 -2.109 0.000 0.239 380 R C 2.167 178.526 176.300 0.098 0.000 1.135 380 R CA 0.874 57.029 56.100 0.092 0.000 0.967 380 R CB -0.690 29.740 30.300 0.216 0.000 0.861 380 R HN 0.148 nan 8.270 nan 0.000 0.442 381 L N 1.101 122.364 121.223 0.066 0.000 2.042 381 L HA -0.127 2.947 4.340 -2.109 0.000 0.210 381 L C 2.104 179.043 176.870 0.114 0.000 1.076 381 L CA 2.385 57.296 54.840 0.119 0.000 0.749 381 L CB -0.971 41.119 42.059 0.051 0.000 0.893 381 L HN 0.397 nan 8.230 nan 0.000 0.432 382 E N -0.154 120.058 120.200 0.020 0.000 2.072 382 E HA -0.261 2.823 4.350 -2.109 0.000 0.191 382 E C 2.166 178.746 176.600 -0.033 0.000 0.985 382 E CA 1.641 58.023 56.400 -0.030 0.000 0.801 382 E CB -0.308 29.362 29.700 -0.050 0.000 0.750 382 E HN 0.645 nan 8.360 nan 0.000 0.452 383 E N -0.368 119.835 120.200 0.004 0.000 2.038 383 E HA -0.180 2.905 4.350 -2.109 0.000 0.195 383 E C 1.995 178.609 176.600 0.023 0.000 1.000 383 E CA 1.788 58.199 56.400 0.019 0.000 0.803 383 E CB -0.038 29.692 29.700 0.051 0.000 0.750 383 E HN 0.222 nan 8.360 nan 0.000 0.448 384 V N 1.293 121.236 119.914 0.048 0.000 2.358 384 V HA -0.257 2.598 4.120 -2.109 0.000 0.246 384 V C 2.289 178.346 176.094 -0.061 0.000 1.047 384 V CA 2.088 64.394 62.300 0.011 0.000 1.035 384 V CB -0.960 30.843 31.823 -0.035 0.000 0.658 384 V HN 0.416 nan 8.190 nan 0.000 0.452 385 N N 0.108 118.761 118.700 -0.079 0.000 2.061 385 N HA -0.240 3.235 4.740 -2.109 0.000 0.193 385 N C 1.871 177.196 175.510 -0.308 0.000 1.030 385 N CA 1.639 54.434 53.050 -0.425 0.000 0.856 385 N CB -0.076 38.069 38.487 -0.570 0.000 1.023 385 N HN 0.464 nan 8.380 nan 0.000 0.424 386 K N 0.306 120.604 120.400 -0.171 0.000 2.025 386 K HA -0.189 2.865 4.320 -2.109 0.000 0.207 386 K C 2.012 178.569 176.600 -0.071 0.000 1.049 386 K CA 1.349 57.567 56.287 -0.116 0.000 0.933 386 K CB -0.208 32.250 32.500 -0.070 0.000 0.714 386 K HN 0.333 nan 8.250 nan 0.000 0.438 387 E N 1.263 121.444 120.200 -0.030 0.000 2.097 387 E HA -0.225 2.859 4.350 -2.109 0.000 0.196 387 E C 1.921 178.533 176.600 0.020 0.000 1.000 387 E CA 1.299 57.711 56.400 0.019 0.000 0.804 387 E CB -0.060 29.688 29.700 0.080 0.000 0.740 387 E HN 0.261 nan 8.360 nan 0.000 0.454 388 I N 0.475 121.039 120.570 -0.011 0.000 2.202 388 I HA -0.223 2.682 4.170 -2.109 0.000 0.242 388 I C 2.547 178.650 176.117 -0.023 0.000 1.091 388 I CA 1.327 62.630 61.300 0.004 0.000 1.368 388 I CB -0.330 37.658 38.000 -0.020 0.000 1.058 388 I HN 0.164 nan 8.210 nan 0.000 0.410 389 E N 0.368 120.521 120.200 -0.079 0.000 2.219 389 E HA -0.233 2.852 4.350 -2.109 0.000 0.198 389 E C 2.113 178.690 176.600 -0.039 0.000 0.998 389 E CA 1.588 57.943 56.400 -0.076 0.000 0.818 389 E CB 0.088 29.719 29.700 -0.114 0.000 0.741 389 E HN 0.383 nan 8.360 nan 0.000 0.477 390 S N -1.525 114.160 115.700 -0.025 0.000 2.432 390 S HA -0.060 3.145 4.470 -2.109 0.000 0.203 390 S C 2.023 176.627 174.600 0.005 0.000 0.987 390 S CA 0.988 59.182 58.200 -0.009 0.000 0.908 390 S CB -0.569 62.627 63.200 -0.006 0.000 0.883 390 S HN 0.440 nan 8.310 nan 0.000 0.577 391 T N 0.943 115.508 114.554 0.019 0.000 3.025 391 T HA 0.002 3.087 4.350 -2.109 0.000 0.270 391 T C 1.121 175.841 174.700 0.033 0.000 1.126 391 T CA 1.415 63.533 62.100 0.029 0.000 1.105 391 T CB -0.907 67.989 68.868 0.047 0.000 0.884 391 T HN 1.441 nan 8.240 nan 0.000 0.522 392 S N -1.021 114.700 115.700 0.034 0.000 3.698 392 S HA -0.169 3.035 4.470 -2.109 0.000 0.338 392 S C 0.223 174.866 174.600 0.072 0.000 1.089 392 S CA 1.025 59.249 58.200 0.040 0.000 0.991 392 S CB -2.813 60.401 63.200 0.024 0.000 0.909 392 S HN 1.479 nan 8.310 nan 0.000 0.485 393 T N -0.680 113.943 114.554 0.115 0.000 2.632 393 T HA 0.531 3.616 4.350 -2.109 0.000 0.290 393 T C -1.428 173.460 174.700 0.312 0.000 1.899 393 T CA -0.077 62.142 62.100 0.198 0.000 0.946 393 T CB 0.442 69.366 68.868 0.094 0.000 2.024 393 T HN 1.732 nan 8.240 nan 0.000 0.471 394 Y N -0.624 119.693 120.300 0.028 0.000 2.764 394 Y HA 0.853 4.138 4.550 -2.107 0.000 0.331 394 Y C -1.590 174.338 175.900 0.047 0.000 1.280 394 Y CA -1.311 56.817 58.100 0.047 0.000 1.065 394 Y CB 0.983 39.491 38.460 0.079 0.000 1.319 394 Y HN 0.518 nan 8.280 nan 0.000 0.453 395 Q N 1.887 121.705 119.800 0.030 0.000 2.365 395 Q HA 0.499 3.574 4.340 -2.109 0.000 0.269 395 Q C -1.190 174.795 176.000 -0.024 0.000 1.061 395 Q CA -0.825 54.938 55.803 -0.066 0.000 0.816 395 Q CB 3.136 31.890 28.738 0.026 0.000 1.325 395 Q HN 0.750 nan 8.270 nan 0.000 0.446 396 L N 1.926 123.106 121.223 -0.071 0.000 2.375 396 L HA 0.307 3.381 4.340 -2.109 0.000 0.271 396 L C 0.882 177.771 176.870 0.032 0.000 1.107 396 L CA -0.645 54.205 54.840 0.018 0.000 0.806 396 L CB 0.472 42.525 42.059 -0.009 0.000 1.146 396 L HN 0.249 nan 8.230 nan 0.000 0.447 397 K N 1.264 121.691 120.400 0.044 0.000 2.143 397 K HA 0.023 3.078 4.320 -2.109 0.000 0.239 397 K C 0.477 177.063 176.600 -0.023 0.000 1.048 397 K CA -0.263 56.035 56.287 0.017 0.000 0.867 397 K CB 0.432 32.939 32.500 0.011 0.000 1.088 397 K HN 0.470 nan 8.250 nan 0.000 0.510 398 D N 0.373 120.759 120.400 -0.024 0.000 2.103 398 D HA -0.118 3.256 4.640 -2.109 0.000 0.199 398 D C 1.765 178.034 176.300 -0.052 0.000 0.978 398 D CA 1.957 55.933 54.000 -0.041 0.000 0.829 398 D CB -0.498 40.285 40.800 -0.027 0.000 0.981 398 D HN 0.705 nan 8.370 nan 0.000 0.464 399 T N -0.313 114.212 114.554 -0.048 0.000 2.737 399 T HA -0.215 2.870 4.350 -2.109 0.000 0.269 399 T C 1.758 176.365 174.700 -0.155 0.000 1.040 399 T CA 1.409 63.478 62.100 -0.052 0.000 1.142 399 T CB -0.455 68.408 68.868 -0.009 0.000 0.861 399 T HN 0.239 nan 8.240 nan 0.000 0.456 400 E N 0.718 120.760 120.200 -0.265 0.000 2.107 400 E HA 0.063 3.148 4.350 -2.109 0.000 0.191 400 E C 2.114 178.740 176.600 0.044 0.000 0.982 400 E CA 0.743 57.005 56.400 -0.230 0.000 0.809 400 E CB -0.269 29.367 29.700 -0.107 0.000 0.756 400 E HN 0.321 nan 8.360 nan 0.000 0.459 401 L N 1.121 122.317 121.223 -0.044 0.000 2.046 401 L HA -0.140 2.934 4.340 -2.109 0.000 0.208 401 L C 1.985 178.801 176.870 -0.091 0.000 1.077 401 L CA 1.550 56.318 54.840 -0.119 0.000 0.747 401 L CB -0.153 41.802 42.059 -0.173 0.000 0.896 401 L HN 0.109 nan 8.230 nan 0.000 0.432 402 I N -1.855 118.695 120.570 -0.034 0.000 2.252 402 I HA -0.299 2.606 4.170 -2.109 0.000 0.245 402 I C 2.342 178.527 176.117 0.113 0.000 1.102 402 I CA 1.365 62.668 61.300 0.004 0.000 1.385 402 I CB -0.405 37.598 38.000 0.005 0.000 1.064 402 I HN 0.342 nan 8.210 nan 0.000 0.414 403 Y N 1.683 122.026 120.300 0.071 0.000 2.200 403 Y HA -0.143 3.141 4.550 -2.109 0.000 0.290 403 Y C 2.365 178.408 175.900 0.240 0.000 1.137 403 Y CA 1.592 59.808 58.100 0.193 0.000 1.163 403 Y CB -0.726 37.816 38.460 0.135 0.000 0.988 403 Y HN 0.063 nan 8.280 nan 0.000 0.518 404 G N -0.031 108.882 108.800 0.188 0.000 2.421 404 G HA2 -0.262 2.433 3.960 -2.109 0.000 0.216 404 G HA3 -0.262 2.433 3.960 -2.109 0.000 0.216 404 G C 1.817 176.640 174.900 -0.129 0.000 1.171 404 G CA 1.037 46.133 45.100 -0.007 0.000 0.775 404 G HN 0.607 nan 8.290 nan 0.000 0.543 405 A N 0.860 123.612 122.820 -0.113 0.000 1.877 405 A HA -0.005 3.049 4.320 -2.109 0.000 0.216 405 A C 2.305 179.911 177.584 0.037 0.000 1.186 405 A CA 1.971 53.946 52.037 -0.104 0.000 0.620 405 A CB -0.388 18.563 19.000 -0.082 0.000 0.822 405 A HN 0.362 nan 8.150 nan 0.000 0.443 406 K N -1.398 119.073 120.400 0.119 0.000 2.103 406 K HA -0.184 2.871 4.320 -2.109 0.000 0.207 406 K C 1.907 178.586 176.600 0.132 0.000 1.048 406 K CA 1.766 58.217 56.287 0.274 0.000 0.930 406 K CB -0.296 32.416 32.500 0.353 0.000 0.716 406 K HN 0.638 nan 8.250 nan 0.000 0.444 407 H N -0.297 118.669 119.070 -0.173 0.000 2.502 407 H HA 0.080 3.370 4.556 -2.110 0.000 0.283 407 H C 1.797 176.966 175.328 -0.266 0.000 1.015 407 H CA 0.989 56.822 56.048 -0.357 0.000 1.298 407 H CB 0.060 29.499 29.762 -0.537 0.000 1.411 407 H HN 0.242 nan 8.280 nan 0.000 0.556 408 A N 0.168 122.882 122.820 -0.176 0.000 1.930 408 A HA -0.176 2.878 4.320 -2.109 0.000 0.217 408 A C 2.004 179.560 177.584 -0.047 0.000 1.175 408 A CA 1.288 53.111 52.037 -0.357 0.000 0.627 408 A CB -0.806 17.605 19.000 -0.981 0.000 0.815 408 A HN 0.599 nan 8.150 nan 0.000 0.443 409 W N 0.948 122.221 121.300 -0.045 0.000 2.409 409 W HA -0.056 3.341 4.660 -2.106 0.000 0.299 409 W C 2.230 178.681 176.519 -0.114 0.000 1.203 409 W CA 1.301 58.668 57.345 0.036 0.000 1.298 409 W CB -0.642 28.831 29.460 0.021 0.000 1.127 409 W HN 0.334 nan 8.180 nan 0.000 0.528 410 R N 0.366 120.749 120.500 -0.195 0.000 2.127 410 R HA -0.171 2.903 4.340 -2.109 0.000 0.238 410 R C 1.305 177.392 176.300 -0.356 0.000 1.134 410 R CA 1.750 57.485 56.100 -0.608 0.000 0.975 410 R CB -0.452 29.068 30.300 -1.301 0.000 0.865 410 R HN 0.105 nan 8.270 nan 0.000 0.447 411 N N 0.064 118.630 118.700 -0.223 0.000 2.336 411 N HA 0.040 3.515 4.740 -2.109 0.000 0.189 411 N C -0.517 174.937 175.510 -0.094 0.000 1.113 411 N CA 0.419 53.372 53.050 -0.161 0.000 0.858 411 N CB 0.882 39.284 38.487 -0.142 0.000 0.970 411 N HN 0.118 nan 8.380 nan 0.000 0.471 412 A N 1.259 124.074 122.820 -0.008 0.000 2.655 412 A HA 0.151 3.205 4.320 -2.109 0.000 0.297 412 A C 1.460 179.022 177.584 -0.037 0.000 1.461 412 A CA -0.230 51.807 52.037 0.002 0.000 1.146 412 A CB -0.304 18.747 19.000 0.086 0.000 1.108 412 A HN 0.268 nan 8.150 nan 0.000 0.550 413 S N 2.440 118.079 115.700 -0.100 0.000 2.465 413 S HA -0.177 3.028 4.470 -2.109 0.000 0.241 413 S C 1.445 175.991 174.600 -0.090 0.000 1.000 413 S CA 1.277 59.420 58.200 -0.095 0.000 0.964 413 S CB -0.217 62.891 63.200 -0.153 0.000 0.763 413 S HN 0.753 nan 8.310 nan 0.000 0.512 414 R N -0.533 119.881 120.500 -0.144 0.000 2.334 414 R HA 0.276 3.351 4.340 -2.109 0.000 0.216 414 R C 0.075 176.360 176.300 -0.026 0.000 0.905 414 R CA -0.028 55.990 56.100 -0.137 0.000 1.064 414 R CB 0.025 30.038 30.300 -0.479 0.000 1.046 414 R HN 0.434 nan 8.270 nan 0.000 0.508 415 C N 0.568 119.852 119.300 -0.026 0.000 2.285 415 C HA 0.221 3.416 4.460 -2.109 0.000 0.335 415 C C 1.915 176.881 174.990 -0.040 0.000 1.267 415 C CA -0.652 58.382 59.018 0.026 0.000 1.762 415 C CB 0.612 28.429 27.740 0.128 0.000 2.365 415 C HN 0.268 nan 8.230 nan 0.000 0.527 416 V N 5.890 125.743 119.914 -0.102 0.000 3.129 416 V HA 0.189 3.043 4.120 -2.109 0.000 0.259 416 V C 1.813 177.971 176.094 0.107 0.000 1.116 416 V CA 2.194 64.363 62.300 -0.217 0.000 1.127 416 V CB -0.102 31.606 31.823 -0.192 0.000 0.742 416 V HN 1.071 nan 8.190 nan 0.000 0.474 417 G N -0.709 108.159 108.800 0.114 0.000 3.448 417 G HA2 0.053 2.748 3.960 -2.109 0.000 0.261 417 G HA3 0.053 2.748 3.960 -2.109 0.000 0.261 417 G C 1.202 176.145 174.900 0.072 0.000 1.173 417 G CA -0.347 44.823 45.100 0.118 0.000 0.835 417 G HN 0.432 nan 8.290 nan 0.000 0.534 418 R N -0.147 120.335 120.500 -0.030 0.000 2.328 418 R HA 0.130 3.204 4.340 -2.109 0.000 0.207 418 R C 1.959 177.756 176.300 -0.838 0.000 1.056 418 R CA 0.117 55.923 56.100 -0.490 0.000 1.016 418 R CB -0.141 29.946 30.300 -0.355 0.000 0.872 418 R HN 0.441 nan 8.270 nan 0.000 0.471 419 I N 0.895 121.071 120.570 -0.656 0.000 2.700 419 I HA -0.237 2.668 4.170 -2.109 0.000 0.261 419 I C 1.185 177.133 176.117 -0.281 0.000 1.219 419 I CA 1.201 62.230 61.300 -0.451 0.000 1.463 419 I CB 0.176 38.115 38.000 -0.101 0.000 1.092 419 I HN 0.207 nan 8.210 nan 0.000 0.452 420 Q N 0.456 120.044 119.800 -0.353 0.000 2.403 420 Q HA -0.105 2.969 4.340 -2.109 0.000 0.203 420 Q C 1.659 177.167 176.000 -0.820 0.000 0.932 420 Q CA 0.459 56.051 55.803 -0.352 0.000 0.945 420 Q CB -0.265 28.435 28.738 -0.063 0.000 1.045 420 Q HN 0.777 nan 8.270 nan 0.000 0.511 421 W N 1.472 121.967 121.300 -1.342 0.000 2.290 421 W HA -0.269 3.124 4.660 -2.110 0.000 0.311 421 W C 1.322 177.445 176.519 -0.661 0.000 1.238 421 W CA 1.729 58.120 57.345 -1.589 0.000 1.255 421 W CB -1.332 27.418 29.460 -1.184 0.000 1.145 421 W HN 0.197 nan 8.180 nan 0.000 0.506 422 S N 0.665 115.381 115.700 -1.639 0.000 2.561 422 S HA -0.001 3.204 4.470 -2.109 0.000 0.225 422 S C 1.402 175.666 174.600 -0.560 0.000 0.977 422 S CA 0.715 58.082 58.200 -1.388 0.000 0.926 422 S CB -0.414 61.809 63.200 -1.628 0.000 0.769 422 S HN 0.391 nan 8.310 nan 0.000 0.533 423 K N 0.704 120.891 120.400 -0.355 0.000 2.387 423 K HA 0.287 3.342 4.320 -2.109 0.000 0.198 423 K C -0.096 176.526 176.600 0.036 0.000 1.022 423 K CA -0.389 55.828 56.287 -0.117 0.000 1.128 423 K CB -0.052 32.417 32.500 -0.050 0.000 0.853 423 K HN 0.307 nan 8.250 nan 0.000 0.523 424 L N 2.336 123.636 121.223 0.128 0.000 2.559 424 L HA -0.067 3.007 4.340 -2.109 0.000 0.274 424 L C -0.022 176.844 176.870 -0.007 0.000 1.205 424 L CA 0.582 55.539 54.840 0.195 0.000 0.907 424 L CB 0.286 42.546 42.059 0.335 0.000 1.153 424 L HN 0.052 nan 8.230 nan 0.000 0.490 425 Q N 3.955 123.701 119.800 -0.091 0.000 2.296 425 Q HA 0.463 3.538 4.340 -2.109 0.000 0.257 425 Q C -1.408 174.273 176.000 -0.533 0.000 0.942 425 Q CA -0.324 55.280 55.803 -0.332 0.000 0.939 425 Q CB 1.144 29.645 28.738 -0.395 0.000 1.198 425 Q HN 0.536 nan 8.270 nan 0.000 0.429 426 V N 5.717 125.318 119.914 -0.522 0.000 2.394 426 V HA 0.437 3.291 4.120 -2.109 0.000 0.282 426 V C -0.715 175.016 176.094 -0.606 0.000 1.031 426 V CA -0.549 61.475 62.300 -0.459 0.000 0.881 426 V CB 0.537 32.209 31.823 -0.250 0.000 0.982 426 V HN 0.651 nan 8.190 nan 0.000 0.451 427 F N 2.571 122.383 119.950 -0.230 0.000 2.361 427 F HA 0.366 3.632 4.527 -2.102 0.000 0.364 427 F C 0.441 176.056 175.800 -0.308 0.000 1.117 427 F CA -1.221 56.635 58.000 -0.239 0.000 1.071 427 F CB 1.121 39.988 39.000 -0.221 0.000 1.188 427 F HN 0.443 nan 8.300 nan 0.000 0.464 428 D N 3.330 123.679 120.400 -0.085 0.000 2.374 428 D HA 0.298 3.673 4.640 -2.109 0.000 0.240 428 D C 0.356 176.461 176.300 -0.324 0.000 1.229 428 D CA 0.175 54.052 54.000 -0.205 0.000 0.895 428 D CB 1.022 41.748 40.800 -0.124 0.000 1.046 428 D HN 0.603 nan 8.370 nan 0.000 0.498 429 A N 4.632 127.071 122.820 -0.635 0.000 2.577 429 A HA 0.135 3.189 4.320 -2.109 0.000 0.280 429 A C 1.748 179.047 177.584 -0.475 0.000 1.331 429 A CA -0.354 51.063 52.037 -1.034 0.000 0.935 429 A CB -0.050 17.849 19.000 -1.834 0.000 1.082 429 A HN 0.534 nan 8.150 nan 0.000 0.525 430 R N 0.569 120.906 120.500 -0.272 0.000 2.237 430 R HA -0.107 2.967 4.340 -2.109 0.000 0.219 430 R C 0.711 176.979 176.300 -0.054 0.000 1.080 430 R CA 1.298 57.317 56.100 -0.136 0.000 0.995 430 R CB 0.015 30.275 30.300 -0.066 0.000 0.875 430 R HN 0.692 nan 8.270 nan 0.000 0.462 431 D N -0.731 119.669 120.400 -0.000 0.000 2.339 431 D HA -0.053 3.321 4.640 -2.109 0.000 0.217 431 D C 0.428 176.816 176.300 0.146 0.000 1.050 431 D CA -0.251 53.797 54.000 0.081 0.000 0.856 431 D CB -0.559 40.304 40.800 0.105 0.000 0.922 431 D HN -0.000 nan 8.370 nan 0.000 0.518 432 C N 1.036 120.424 119.300 0.147 0.000 2.657 432 C HA 0.478 3.673 4.460 -2.109 0.000 0.404 432 C C 1.774 176.922 174.990 0.263 0.000 1.291 432 C CA 0.820 59.995 59.018 0.262 0.000 2.218 432 C CB 0.246 28.185 27.740 0.332 0.000 2.687 432 C HN 0.573 nan 8.230 nan 0.000 0.634 433 T N -0.316 114.432 114.554 0.324 0.000 3.046 433 T HA 0.265 3.349 4.350 -2.109 0.000 0.270 433 T C 0.178 175.052 174.700 0.289 0.000 0.920 433 T CA 0.613 62.929 62.100 0.359 0.000 0.874 433 T CB -0.259 68.748 68.868 0.231 0.000 1.214 433 T HN 0.991 nan 8.240 nan 0.000 0.536 434 T N -1.773 112.936 114.554 0.258 0.000 2.865 434 T HA 0.794 3.879 4.350 -2.109 0.000 0.294 434 T C 1.413 176.216 174.700 0.172 0.000 1.119 434 T CA -0.129 62.084 62.100 0.189 0.000 1.007 434 T CB 1.381 70.365 68.868 0.194 0.000 1.225 434 T HN 0.138 nan 8.240 nan 0.000 0.515 435 A N 0.120 123.034 122.820 0.156 0.000 1.972 435 A HA -0.047 3.008 4.320 -2.109 0.000 0.219 435 A C 1.949 179.549 177.584 0.027 0.000 1.169 435 A CA 1.926 54.048 52.037 0.142 0.000 0.635 435 A CB -1.416 17.732 19.000 0.247 0.000 0.810 435 A HN 0.996 nan 8.150 nan 0.000 0.446 436 H N -0.882 118.279 119.070 0.152 0.000 2.357 436 H HA 0.034 5.459 4.556 1.447 0.000 0.301 436 H C 2.419 177.753 175.328 0.010 0.000 1.082 436 H CA 1.568 57.639 56.048 0.038 0.000 1.342 436 H CB -0.316 29.545 29.762 0.166 0.000 1.389 436 H HN 0.469 nan 8.280 nan 0.000 0.511 437 G N 0.284 109.200 108.800 0.194 0.000 2.459 437 G HA2 -0.295 2.400 3.960 -2.109 0.000 0.217 437 G HA3 -0.295 2.400 3.960 -2.109 0.000 0.217 437 G C 1.639 176.656 174.900 0.195 0.000 1.183 437 G CA 1.167 46.369 45.100 0.170 0.000 0.776 437 G HN 0.273 nan 8.290 nan 0.000 0.552 438 M N -0.396 119.287 119.600 0.139 0.000 2.082 438 M HA -0.060 3.155 4.480 -2.109 0.000 0.258 438 M C 2.345 178.676 176.300 0.050 0.000 1.069 438 M CA 1.637 56.960 55.300 0.038 0.000 1.102 438 M CB -0.496 31.907 32.600 -0.329 0.000 1.336 438 M HN 0.307 nan 8.290 nan 0.000 0.404 439 F N 1.231 120.981 119.950 -0.333 0.000 2.161 439 F HA -0.266 3.082 4.527 -1.965 0.000 0.300 439 F C 2.060 177.727 175.800 -0.222 0.000 1.089 439 F CA 1.924 59.632 58.000 -0.487 0.000 1.282 439 F CB -0.299 37.934 39.000 -1.280 0.000 1.010 439 F HN 0.166 nan 8.300 nan 0.000 0.485 440 N N -0.348 118.196 118.700 -0.259 0.000 2.084 440 N HA -0.247 3.227 4.740 -2.109 0.000 0.190 440 N C 1.841 177.182 175.510 -0.281 0.000 1.030 440 N CA 2.037 54.899 53.050 -0.313 0.000 0.849 440 N CB -0.774 37.600 38.487 -0.189 0.000 1.012 440 N HN 0.494 nan 8.380 nan 0.000 0.423 441 Y N 0.341 120.578 120.300 -0.104 0.000 2.165 441 Y HA -0.079 3.202 4.550 -2.115 0.000 0.286 441 Y C 2.174 178.007 175.900 -0.110 0.000 1.155 441 Y CA 1.045 59.099 58.100 -0.076 0.000 1.164 441 Y CB -0.058 38.462 38.460 0.100 0.000 0.978 441 Y HN 0.121 nan 8.280 nan 0.000 0.513 442 I N -1.558 119.053 120.570 0.070 0.000 2.252 442 I HA -0.337 2.567 4.170 -2.109 0.000 0.245 442 I C 2.291 178.318 176.117 -0.151 0.000 1.102 442 I CA 0.809 62.091 61.300 -0.031 0.000 1.385 442 I CB -0.491 37.478 38.000 -0.051 0.000 1.064 442 I HN 0.309 nan 8.210 nan 0.000 0.414 443 C N 0.879 119.966 119.300 -0.356 0.000 2.413 443 C HA -0.155 3.040 4.460 -2.109 0.000 0.276 443 C C 2.624 177.507 174.990 -0.179 0.000 1.248 443 C CA 0.930 59.745 59.018 -0.339 0.000 1.742 443 C CB -1.454 25.967 27.740 -0.532 0.000 2.017 443 C HN 0.554 nan 8.230 nan 0.000 0.481 444 N N -0.095 118.489 118.700 -0.194 0.000 2.120 444 N HA -0.140 3.335 4.740 -2.109 0.000 0.188 444 N C 1.434 176.864 175.510 -0.132 0.000 1.024 444 N CA 1.560 54.498 53.050 -0.187 0.000 0.852 444 N CB -0.865 37.447 38.487 -0.291 0.000 1.003 444 N HN 0.775 nan 8.380 nan 0.000 0.424 445 H N 0.399 119.340 119.070 -0.215 0.000 2.267 445 H HA -0.033 3.257 4.556 -2.109 0.000 0.297 445 H C 1.845 177.205 175.328 0.053 0.000 1.080 445 H CA 1.804 57.809 56.048 -0.073 0.000 1.278 445 H CB -0.018 29.739 29.762 -0.009 0.000 1.365 445 H HN -0.097 nan 8.280 nan 0.000 0.489 446 V N 1.023 121.089 119.914 0.254 0.000 2.324 446 V HA -0.299 2.555 4.120 -2.109 0.000 0.250 446 V C 2.512 178.677 176.094 0.118 0.000 1.060 446 V CA 2.357 64.755 62.300 0.162 0.000 1.042 446 V CB -0.584 31.248 31.823 0.015 0.000 0.650 446 V HN 0.450 nan 8.190 nan 0.000 0.450 447 K N -0.956 119.485 120.400 0.068 0.000 2.031 447 K HA -0.216 2.839 4.320 -2.109 0.000 0.205 447 K C 2.282 178.918 176.600 0.060 0.000 1.049 447 K CA 1.685 57.996 56.287 0.041 0.000 0.939 447 K CB -0.358 32.147 32.500 0.007 0.000 0.717 447 K HN 0.496 nan 8.250 nan 0.000 0.438 448 Y N 0.765 121.072 120.300 0.012 0.000 2.181 448 Y HA -0.192 3.091 4.550 -2.111 0.000 0.288 448 Y C 1.925 177.878 175.900 0.088 0.000 1.146 448 Y CA 1.778 59.913 58.100 0.057 0.000 1.164 448 Y CB -0.358 38.167 38.460 0.108 0.000 0.982 448 Y HN 0.170 nan 8.280 nan 0.000 0.515 449 A N -1.034 121.856 122.820 0.117 0.000 1.929 449 A HA -0.093 2.961 4.320 -2.109 0.000 0.216 449 A C 2.190 179.793 177.584 0.032 0.000 1.176 449 A CA 1.884 53.968 52.037 0.080 0.000 0.628 449 A CB -1.169 17.974 19.000 0.240 0.000 0.816 449 A HN 0.482 nan 8.150 nan 0.000 0.444 450 T N 0.066 114.648 114.554 0.047 0.000 2.777 450 T HA -0.118 2.967 4.350 -2.109 0.000 0.266 450 T C 1.074 175.763 174.700 -0.019 0.000 1.040 450 T CA 1.234 63.357 62.100 0.039 0.000 1.141 450 T CB -0.445 68.449 68.868 0.042 0.000 0.868 450 T HN 0.621 nan 8.240 nan 0.000 0.444 451 N N 1.384 120.042 118.700 -0.071 0.000 2.699 451 N HA -0.232 3.243 4.740 -2.109 0.000 0.256 451 N C -0.346 175.125 175.510 -0.065 0.000 0.993 451 N CA 0.658 53.644 53.050 -0.106 0.000 0.759 451 N CB -1.507 36.871 38.487 -0.181 0.000 0.906 451 N HN 0.576 nan 8.380 nan 0.000 0.541 452 K N -2.160 118.215 120.400 -0.042 0.000 3.016 452 K HA -0.233 2.821 4.320 -2.109 0.000 0.262 452 K C 1.027 177.603 176.600 -0.041 0.000 1.043 452 K CA 0.976 57.241 56.287 -0.036 0.000 0.761 452 K CB -1.774 30.703 32.500 -0.038 0.000 1.230 452 K HN 0.944 nan 8.250 nan 0.000 0.485 453 G N 0.547 109.327 108.800 -0.032 0.000 2.213 453 G HA2 -0.333 2.361 3.960 -2.109 0.000 0.226 453 G HA3 -0.333 2.361 3.960 -2.109 0.000 0.226 453 G C -0.115 174.758 174.900 -0.045 0.000 0.992 453 G CA 0.184 45.264 45.100 -0.034 0.000 0.632 453 G HN 0.510 nan 8.290 nan 0.000 0.511 454 N N 1.422 120.085 118.700 -0.062 0.000 3.229 454 N HA 0.432 3.906 4.740 -2.109 0.000 0.275 454 N C 0.758 176.222 175.510 -0.078 0.000 1.225 454 N CA -0.573 52.422 53.050 -0.092 0.000 1.119 454 N CB -0.182 38.250 38.487 -0.091 0.000 1.392 454 N HN 0.344 nan 8.380 nan 0.000 0.520 455 L N 1.776 122.979 121.223 -0.033 0.000 2.543 455 L HA 0.065 3.139 4.340 -2.109 0.000 0.285 455 L C 0.534 177.500 176.870 0.160 0.000 1.236 455 L CA 0.554 55.447 54.840 0.089 0.000 0.871 455 L CB 0.099 42.312 42.059 0.256 0.000 1.121 455 L HN 0.366 nan 8.230 nan 0.000 0.501 456 R N 1.413 122.013 120.500 0.167 0.000 2.575 456 R HA 0.297 3.372 4.340 -2.109 0.000 0.293 456 R C -0.426 176.022 176.300 0.246 0.000 0.983 456 R CA -0.581 55.644 56.100 0.208 0.000 0.887 456 R CB 2.127 32.416 30.300 -0.017 0.000 1.184 456 R HN 0.782 nan 8.270 nan 0.000 0.445 457 S N 1.578 117.431 115.700 0.255 0.000 2.562 457 S HA 0.600 3.805 4.470 -2.109 0.000 0.281 457 S C 0.033 174.668 174.600 0.060 0.000 1.333 457 S CA -0.371 57.871 58.200 0.071 0.000 1.052 457 S CB 1.381 64.560 63.200 -0.035 0.000 0.884 457 S HN 0.734 nan 8.310 nan 0.000 0.506 458 A N 2.546 125.354 122.820 -0.021 0.000 2.610 458 A HA 0.815 3.869 4.320 -2.109 0.000 0.291 458 A C -1.176 176.400 177.584 -0.014 0.000 1.086 458 A CA -0.845 51.119 52.037 -0.121 0.000 0.677 458 A CB 1.176 20.049 19.000 -0.212 0.000 1.278 458 A HN 1.286 nan 8.150 nan 0.000 0.414 459 I N 0.162 120.720 120.570 -0.020 0.000 2.752 459 I HA 0.626 3.531 4.170 -2.109 0.000 0.295 459 I C -1.296 174.887 176.117 0.109 0.000 1.219 459 I CA -0.134 61.271 61.300 0.175 0.000 1.030 459 I CB 2.432 40.495 38.000 0.105 0.000 1.259 459 I HN 0.607 nan 8.210 nan 0.000 0.423 460 T N 7.764 122.405 114.554 0.145 0.000 2.786 460 T HA 0.557 3.641 4.350 -2.109 0.000 0.283 460 T C -0.366 174.091 174.700 -0.405 0.000 0.992 460 T CA -0.229 61.809 62.100 -0.105 0.000 0.954 460 T CB 0.828 69.645 68.868 -0.085 0.000 0.934 460 T HN 0.290 nan 8.240 nan 0.000 0.440 461 I N 4.344 124.613 120.570 -0.501 0.000 2.307 461 I HA 0.384 3.288 4.170 -2.109 0.000 0.289 461 I C -0.279 175.474 176.117 -0.606 0.000 1.021 461 I CA -0.616 60.385 61.300 -0.498 0.000 1.224 461 I CB 0.509 38.194 38.000 -0.525 0.000 1.376 461 I HN 0.451 nan 8.210 nan 0.000 0.470 462 F N 6.901 126.736 119.950 -0.193 0.000 2.352 462 F HA 0.403 3.672 4.527 -2.097 0.000 0.304 462 F C -1.847 173.801 175.800 -0.252 0.000 1.215 462 F CA -2.262 55.538 58.000 -0.332 0.000 1.121 462 F CB -0.319 38.473 39.000 -0.346 0.000 1.329 462 F HN 0.231 nan 8.300 nan 0.000 0.528 463 P HA 0.015 nan 4.420 nan 0.000 0.264 463 P C -0.886 176.471 177.300 0.095 0.000 1.193 463 P CA -0.122 62.893 63.100 -0.142 0.000 0.763 463 P CB 0.202 31.720 31.700 -0.302 0.000 0.810 464 Q N 3.387 123.221 119.800 0.056 0.000 2.722 464 Q HA 0.061 3.135 4.340 -2.109 0.000 0.214 464 Q C 0.158 176.102 176.000 -0.093 0.000 1.109 464 Q CA -0.316 55.307 55.803 -0.300 0.000 1.066 464 Q CB 0.549 28.852 28.738 -0.725 0.000 1.290 464 Q HN 0.328 nan 8.270 nan 0.000 0.620 465 R N -0.267 120.134 120.500 -0.165 0.000 2.490 465 R HA 0.131 3.205 4.340 -2.109 0.000 0.278 465 R C 0.202 176.477 176.300 -0.043 0.000 1.069 465 R CA 0.623 56.701 56.100 -0.037 0.000 1.080 465 R CB 0.811 31.083 30.300 -0.047 0.000 1.030 465 R HN 0.940 nan 8.270 nan 0.000 0.491 466 T N -1.120 113.438 114.554 0.006 0.000 3.499 466 T HA 0.019 3.104 4.350 -2.109 0.000 0.227 466 T C 0.795 175.484 174.700 -0.018 0.000 0.946 466 T CA 0.281 62.370 62.100 -0.020 0.000 1.368 466 T CB -0.115 68.724 68.868 -0.047 0.000 1.227 466 T HN 0.738 nan 8.240 nan 0.000 0.398 467 D N 0.766 121.162 120.400 -0.006 0.000 2.479 467 D HA 0.260 3.634 4.640 -2.109 0.000 0.218 467 D C 1.557 177.894 176.300 0.062 0.000 1.177 467 D CA 0.513 54.522 54.000 0.015 0.000 0.830 467 D CB -0.059 40.737 40.800 -0.007 0.000 1.014 467 D HN 0.821 nan 8.370 nan 0.000 0.503 468 G N 1.667 110.509 108.800 0.070 0.000 2.228 468 G HA2 -0.385 2.309 3.960 -2.109 0.000 0.270 468 G HA3 -0.385 2.309 3.960 -2.109 0.000 0.270 468 G C 1.043 176.001 174.900 0.095 0.000 0.976 468 G CA 0.672 45.813 45.100 0.068 0.000 0.636 468 G HN 0.458 nan 8.290 nan 0.000 0.542 469 K N -0.385 120.121 120.400 0.177 0.000 2.358 469 K HA 0.229 3.284 4.320 -2.109 0.000 0.197 469 K C 0.375 177.021 176.600 0.077 0.000 1.025 469 K CA 0.171 56.554 56.287 0.161 0.000 1.104 469 K CB 0.302 32.918 32.500 0.193 0.000 0.855 469 K HN 0.521 nan 8.250 nan 0.000 0.531 470 H N -0.089 118.971 119.070 -0.016 0.000 2.676 470 H HA 0.195 3.486 4.556 -2.108 0.000 0.238 470 H C -1.253 174.034 175.328 -0.069 0.000 1.276 470 H CA -0.930 55.083 56.048 -0.058 0.000 0.983 470 H CB 0.136 29.886 29.762 -0.019 0.000 2.000 470 H HN -0.026 nan 8.280 nan 0.000 0.584 471 D N 0.362 120.778 120.400 0.027 0.000 2.350 471 D HA 0.114 3.488 4.640 -2.109 0.000 0.249 471 D C -0.060 176.231 176.300 -0.016 0.000 1.119 471 D CA 0.089 54.129 54.000 0.066 0.000 0.886 471 D CB 0.603 41.440 40.800 0.062 0.000 1.195 471 D HN 0.095 nan 8.370 nan 0.000 0.437 472 F N 2.341 122.322 119.950 0.051 0.000 2.394 472 F HA 0.442 3.697 4.527 -2.121 0.000 0.340 472 F C 0.985 176.811 175.800 0.043 0.000 1.105 472 F CA -0.241 57.769 58.000 0.016 0.000 1.124 472 F CB 0.862 39.871 39.000 0.015 0.000 1.145 472 F HN -0.125 nan 8.300 nan 0.000 0.505 473 R N 1.657 122.270 120.500 0.188 0.000 2.626 473 R HA 0.518 3.593 4.340 -2.109 0.000 0.274 473 R C -1.811 174.637 176.300 0.247 0.000 1.031 473 R CA -0.937 55.289 56.100 0.211 0.000 0.898 473 R CB 2.054 32.483 30.300 0.215 0.000 1.222 473 R HN 0.370 nan 8.270 nan 0.000 0.455 474 V N 2.806 122.856 119.914 0.226 0.000 2.347 474 V HA 0.173 3.028 4.120 -2.109 0.000 0.280 474 V C 0.284 176.576 176.094 0.331 0.000 1.021 474 V CA -0.452 61.981 62.300 0.222 0.000 0.847 474 V CB 1.277 33.169 31.823 0.116 0.000 0.990 474 V HN 0.734 nan 8.190 nan 0.000 0.444 475 W N 2.495 123.862 121.300 0.112 0.000 2.467 475 W HA 0.007 3.418 4.660 -2.081 0.000 0.275 475 W C 1.110 177.696 176.519 0.111 0.000 1.239 475 W CA -0.269 57.233 57.345 0.262 0.000 1.266 475 W CB -0.723 29.033 29.460 0.493 0.000 1.112 475 W HN 0.530 nan 8.180 nan 0.000 0.576 476 N N -0.196 118.549 118.700 0.074 0.000 2.340 476 N HA -0.000 3.474 4.740 -2.109 0.000 0.236 476 N C 1.377 176.707 175.510 -0.301 0.000 1.296 476 N CA 1.012 53.758 53.050 -0.506 0.000 0.896 476 N CB 0.535 38.846 38.487 -0.293 0.000 1.127 476 N HN -0.115 nan 8.380 nan 0.000 0.442 477 S N -0.580 114.910 115.700 -0.349 0.000 2.470 477 S HA 0.089 3.293 4.470 -2.109 0.000 0.222 477 S C 0.209 174.705 174.600 -0.173 0.000 1.024 477 S CA 0.299 58.392 58.200 -0.177 0.000 0.931 477 S CB 0.161 63.301 63.200 -0.100 0.000 0.791 477 S HN 0.612 nan 8.310 nan 0.000 0.513 478 Q N -0.468 119.207 119.800 -0.209 0.000 2.379 478 Q HA 0.497 3.572 4.340 -2.109 0.000 0.278 478 Q C 0.097 175.946 176.000 -0.251 0.000 1.068 478 Q CA -0.524 55.150 55.803 -0.215 0.000 0.816 478 Q CB 2.062 30.720 28.738 -0.134 0.000 1.387 478 Q HN 0.085 nan 8.270 nan 0.000 0.413 479 L N 0.719 121.788 121.223 -0.256 0.000 2.043 479 L HA -0.076 2.999 4.340 -2.109 0.000 0.212 479 L C 0.596 177.299 176.870 -0.278 0.000 1.075 479 L CA 1.484 56.186 54.840 -0.231 0.000 0.752 479 L CB -0.130 41.786 42.059 -0.239 0.000 0.891 479 L HN 0.505 nan 8.230 nan 0.000 0.432 480 I N -0.184 120.136 120.570 -0.416 0.000 2.389 480 I HA 0.349 3.253 4.170 -2.109 0.000 0.288 480 I C -0.318 175.173 176.117 -1.044 0.000 0.999 480 I CA -0.315 60.576 61.300 -0.681 0.000 1.129 480 I CB 1.423 38.952 38.000 -0.787 0.000 1.288 480 I HN 0.101 nan 8.210 nan 0.000 0.444 481 R N 4.470 124.503 120.500 -0.780 0.000 2.710 481 R HA 0.467 3.542 4.340 -2.109 0.000 0.270 481 R C -1.668 174.384 176.300 -0.414 0.000 1.021 481 R CA -1.035 54.714 56.100 -0.585 0.000 0.889 481 R CB 2.448 32.623 30.300 -0.207 0.000 1.243 481 R HN 0.391 nan 8.270 nan 0.000 0.464 482 Y N 0.425 120.740 120.300 0.025 0.000 2.310 482 Y HA 0.419 3.704 4.550 -2.108 0.000 0.326 482 Y C 0.921 176.892 175.900 0.118 0.000 1.151 482 Y CA -0.657 57.519 58.100 0.128 0.000 1.195 482 Y CB 1.401 40.026 38.460 0.276 0.000 1.210 482 Y HN 0.629 nan 8.280 nan 0.000 0.483 483 A N 1.841 124.822 122.820 0.268 0.000 2.406 483 A HA 0.571 3.625 4.320 -2.109 0.000 0.243 483 A C 0.423 177.902 177.584 -0.175 0.000 1.082 483 A CA 0.280 52.321 52.037 0.006 0.000 0.786 483 A CB -0.162 18.855 19.000 0.027 0.000 1.029 483 A HN 0.897 nan 8.150 nan 0.000 0.495 484 G N 0.159 108.733 108.800 -0.377 0.000 2.683 484 G HA2 0.587 3.282 3.960 -2.109 0.000 0.299 484 G HA3 0.587 3.282 3.960 -2.109 0.000 0.299 484 G C -1.340 173.357 174.900 -0.338 0.000 1.432 484 G CA -0.308 44.629 45.100 -0.273 0.000 0.978 484 G HN 0.550 nan 8.290 nan 0.000 0.513 485 Y N 0.557 120.880 120.300 0.040 0.000 2.462 485 Y HA 0.539 3.822 4.550 -2.111 0.000 0.346 485 Y C 0.422 176.322 175.900 -0.001 0.000 0.976 485 Y CA -1.321 56.794 58.100 0.026 0.000 1.044 485 Y CB 2.099 40.571 38.460 0.020 0.000 1.230 485 Y HN 0.287 nan 8.280 nan 0.000 0.455 486 K N 2.867 123.359 120.400 0.152 0.000 2.276 486 K HA 0.313 3.367 4.320 -2.109 0.000 0.283 486 K C -0.500 176.137 176.600 0.061 0.000 1.044 486 K CA -0.453 55.881 56.287 0.078 0.000 0.944 486 K CB 0.862 33.392 32.500 0.050 0.000 1.012 486 K HN 0.698 nan 8.250 nan 0.000 0.472 487 Q N 2.256 122.076 119.800 0.034 0.000 2.240 487 Q HA 0.183 3.258 4.340 -2.109 0.000 0.260 487 Q C -1.761 174.240 176.000 0.001 0.000 1.018 487 Q CA -2.098 53.710 55.803 0.009 0.000 0.898 487 Q CB 0.878 29.613 28.738 -0.003 0.000 1.301 487 Q HN 0.282 nan 8.270 nan 0.000 0.469 488 P HA -0.213 nan 4.420 nan 0.000 0.216 488 P C 0.650 177.946 177.300 -0.006 0.000 1.153 488 P CA 1.351 64.445 63.100 -0.009 0.000 0.858 488 P CB 0.159 31.849 31.700 -0.016 0.000 0.789 489 D N -1.216 119.180 120.400 -0.008 0.000 2.315 489 D HA -0.139 3.235 4.640 -2.109 0.000 0.211 489 D C 1.626 177.925 176.300 -0.001 0.000 0.977 489 D CA 1.746 55.742 54.000 -0.006 0.000 0.894 489 D CB -0.799 39.997 40.800 -0.008 0.000 0.910 489 D HN 0.223 nan 8.370 nan 0.000 0.490 490 G N -0.610 108.191 108.800 0.002 0.000 2.253 490 G HA2 -0.316 2.378 3.960 -2.109 0.000 0.251 490 G HA3 -0.316 2.378 3.960 -2.109 0.000 0.251 490 G C 0.565 175.470 174.900 0.007 0.000 0.998 490 G CA 0.972 46.076 45.100 0.005 0.000 0.621 490 G HN 0.790 nan 8.290 nan 0.000 0.524 491 S N -0.426 115.277 115.700 0.004 0.000 2.626 491 S HA 0.644 3.848 4.470 -2.109 0.000 0.257 491 S C 0.094 174.698 174.600 0.007 0.000 1.288 491 S CA 0.873 59.074 58.200 0.003 0.000 0.980 491 S CB 1.608 64.807 63.200 -0.002 0.000 0.975 491 S HN 0.703 nan 8.310 nan 0.000 0.577 492 T N 1.336 115.889 114.554 -0.002 0.000 2.824 492 T HA 0.509 3.594 4.350 -2.109 0.000 0.282 492 T C -1.016 173.677 174.700 -0.013 0.000 0.993 492 T CA -0.507 61.595 62.100 0.002 0.000 0.967 492 T CB 1.095 69.955 68.868 -0.014 0.000 0.960 492 T HN 0.601 nan 8.240 nan 0.000 0.441 493 L N 4.005 125.254 121.223 0.044 0.000 2.264 493 L HA 0.732 3.806 4.340 -2.109 0.000 0.289 493 L C 0.688 177.596 176.870 0.064 0.000 1.044 493 L CA 1.144 56.016 54.840 0.054 0.000 0.807 493 L CB -0.171 41.950 42.059 0.104 0.000 1.192 493 L HN 0.962 nan 8.230 nan 0.000 0.425 494 G N 4.036 112.768 108.800 -0.113 0.000 2.488 494 G HA2 -0.232 2.463 3.960 -2.109 0.000 0.237 494 G HA3 -0.232 2.463 3.960 -2.109 0.000 0.237 494 G C -0.682 173.882 174.900 -0.561 0.000 1.209 494 G CA 0.014 44.986 45.100 -0.215 0.000 0.929 494 G HN 0.824 nan 8.290 nan 0.000 0.578 495 D N 1.801 122.054 120.400 -0.245 0.000 2.365 495 D HA 0.503 3.877 4.640 -2.109 0.000 0.237 495 D C -0.967 175.304 176.300 -0.048 0.000 1.190 495 D CA -1.748 52.166 54.000 -0.144 0.000 0.867 495 D CB 1.342 42.392 40.800 0.418 0.000 1.050 495 D HN -0.019 nan 8.370 nan 0.000 0.491 496 P HA -0.112 nan 4.420 nan 0.000 0.218 496 P C 0.950 178.277 177.300 0.045 0.000 1.148 496 P CA 1.055 64.146 63.100 -0.014 0.000 0.822 496 P CB 0.254 31.943 31.700 -0.019 0.000 0.784 497 A N -0.639 122.237 122.820 0.092 0.000 2.125 497 A HA -0.153 2.901 4.320 -2.109 0.000 0.219 497 A C 1.818 179.473 177.584 0.119 0.000 1.156 497 A CA 1.492 53.599 52.037 0.117 0.000 0.671 497 A CB -0.886 18.207 19.000 0.156 0.000 0.794 497 A HN 0.174 nan 8.150 nan 0.000 0.459 498 N N -0.792 117.973 118.700 0.109 0.000 2.205 498 N HA 0.070 3.545 4.740 -2.109 0.000 0.201 498 N C 1.396 176.945 175.510 0.066 0.000 1.128 498 N CA 0.520 53.637 53.050 0.112 0.000 0.867 498 N CB 0.297 38.858 38.487 0.124 0.000 0.996 498 N HN 0.163 nan 8.380 nan 0.000 0.503 499 V N 2.089 122.018 119.914 0.025 0.000 2.257 499 V HA -0.377 2.478 4.120 -2.109 0.000 0.257 499 V C 2.675 178.763 176.094 -0.009 0.000 1.077 499 V CA 2.287 64.584 62.300 -0.006 0.000 1.063 499 V CB -0.547 31.285 31.823 0.015 0.000 0.664 499 V HN 0.427 nan 8.190 nan 0.000 0.450 500 Q N -1.071 118.730 119.800 0.001 0.000 1.967 500 Q HA -0.263 2.812 4.340 -2.109 0.000 0.202 500 Q C 2.191 178.107 176.000 -0.140 0.000 0.985 500 Q CA 2.482 58.246 55.803 -0.064 0.000 0.839 500 Q CB -0.360 28.344 28.738 -0.057 0.000 0.906 500 Q HN 0.582 nan 8.270 nan 0.000 0.423 501 F N 1.388 121.174 119.950 -0.273 0.000 2.120 501 F HA -0.218 3.039 4.527 -2.116 0.000 0.300 501 F C 2.075 177.772 175.800 -0.172 0.000 1.095 501 F CA 2.062 59.874 58.000 -0.313 0.000 1.249 501 F CB -0.528 38.358 39.000 -0.189 0.000 0.995 501 F HN 0.105 nan 8.300 nan 0.000 0.480 502 T N -0.146 114.386 114.554 -0.036 0.000 2.996 502 T HA -0.169 2.915 4.350 -2.109 0.000 0.271 502 T C 1.574 176.258 174.700 -0.026 0.000 1.126 502 T CA 1.615 63.678 62.100 -0.061 0.000 1.103 502 T CB -0.295 68.484 68.868 -0.149 0.000 0.870 502 T HN 0.498 nan 8.240 nan 0.000 0.528 503 E N 0.301 120.440 120.200 -0.101 0.000 2.162 503 E HA 0.183 3.268 4.350 -2.109 0.000 0.193 503 E C 1.997 178.518 176.600 -0.132 0.000 0.953 503 E CA 0.211 56.572 56.400 -0.065 0.000 0.849 503 E CB 0.059 29.723 29.700 -0.060 0.000 0.810 503 E HN 0.438 nan 8.360 nan 0.000 0.470 504 I N 1.114 121.524 120.570 -0.266 0.000 2.700 504 I HA -0.238 2.667 4.170 -2.109 0.000 0.261 504 I C 1.943 177.908 176.117 -0.254 0.000 1.219 504 I CA 0.454 61.604 61.300 -0.251 0.000 1.463 504 I CB -0.257 37.550 38.000 -0.322 0.000 1.092 504 I HN 0.221 nan 8.210 nan 0.000 0.452 505 C N 0.492 119.584 119.300 -0.346 0.000 2.485 505 C HA 0.054 3.248 4.460 -2.109 0.000 0.278 505 C C 2.596 177.607 174.990 0.034 0.000 1.356 505 C CA 0.229 59.099 59.018 -0.247 0.000 1.747 505 C CB -0.528 26.988 27.740 -0.373 0.000 2.001 505 C HN 0.446 nan 8.230 nan 0.000 0.501 506 I N 0.527 121.141 120.570 0.074 0.000 2.716 506 I HA -0.126 2.779 4.170 -2.109 0.000 0.259 506 I C 2.518 178.637 176.117 0.003 0.000 1.172 506 I CA 0.918 62.272 61.300 0.091 0.000 1.478 506 I CB -0.583 37.473 38.000 0.094 0.000 1.104 506 I HN 0.379 nan 8.210 nan 0.000 0.439 507 Q N 0.951 120.727 119.800 -0.040 0.000 2.515 507 Q HA -0.128 2.947 4.340 -2.109 0.000 0.214 507 Q C 1.359 177.311 176.000 -0.079 0.000 0.971 507 Q CA 0.781 56.541 55.803 -0.072 0.000 0.952 507 Q CB 0.323 29.003 28.738 -0.096 0.000 0.999 507 Q HN 0.467 nan 8.270 nan 0.000 0.524 508 Q N -2.097 117.674 119.800 -0.049 0.000 2.179 508 Q HA 0.200 3.275 4.340 -2.109 0.000 0.244 508 Q C 0.832 176.814 176.000 -0.028 0.000 0.808 508 Q CA 0.855 56.629 55.803 -0.048 0.000 0.955 508 Q CB 1.940 30.642 28.738 -0.061 0.000 1.141 508 Q HN 0.454 nan 8.270 nan 0.000 0.485 509 G N 0.290 109.093 108.800 0.005 0.000 2.296 509 G HA2 -0.202 2.493 3.960 -2.109 0.000 0.188 509 G HA3 -0.202 2.493 3.960 -2.109 0.000 0.188 509 G C -0.394 174.544 174.900 0.063 0.000 1.000 509 G CA -0.280 44.826 45.100 0.009 0.000 0.672 509 G HN 0.189 nan 8.290 nan 0.000 0.483 510 W N 3.682 124.931 121.300 -0.084 0.000 2.343 510 W HA 0.476 3.868 4.660 -2.113 0.000 0.337 510 W C 0.440 176.945 176.519 -0.024 0.000 1.320 510 W CA 0.075 57.385 57.345 -0.058 0.000 1.290 510 W CB 0.461 29.885 29.460 -0.061 0.000 1.206 510 W HN 0.104 nan 8.180 nan 0.000 0.565 511 K N 6.635 126.722 120.400 -0.521 0.000 2.184 511 K HA 0.457 3.512 4.320 -2.109 0.000 0.259 511 K C 0.152 176.187 176.600 -0.942 0.000 1.119 511 K CA -0.437 55.529 56.287 -0.534 0.000 0.991 511 K CB 0.069 32.401 32.500 -0.281 0.000 1.522 511 K HN 0.471 nan 8.250 nan 0.000 0.405 512 A N 3.582 125.762 122.820 -1.067 0.000 2.492 512 A HA 0.157 3.212 4.320 -2.109 0.000 0.254 512 A C -1.544 175.736 177.584 -0.507 0.000 1.091 512 A CA -1.010 50.379 52.037 -1.080 0.000 0.768 512 A CB 0.033 18.730 19.000 -0.505 0.000 1.028 512 A HN 0.455 nan 8.150 nan 0.000 0.498 513 P HA -0.015 nan 4.420 nan 0.000 0.237 513 P C -0.003 177.176 177.300 -0.202 0.000 1.178 513 P CA 0.056 63.056 63.100 -0.165 0.000 0.766 513 P CB 0.053 31.742 31.700 -0.019 0.000 0.876 514 R N -0.618 119.659 120.500 -0.371 0.000 3.127 514 R HA -0.123 2.951 4.340 -2.109 0.000 0.247 514 R C 0.530 176.667 176.300 -0.273 0.000 0.896 514 R CA 0.557 56.200 56.100 -0.761 0.000 0.624 514 R CB -2.014 27.863 30.300 -0.705 0.000 1.154 514 R HN 0.336 nan 8.270 nan 0.000 0.474 515 G N -0.753 108.066 108.800 0.032 0.000 3.013 515 G HA2 0.419 3.113 3.960 -2.109 0.000 0.278 515 G HA3 0.419 3.113 3.960 -2.109 0.000 0.278 515 G C 0.273 175.269 174.900 0.160 0.000 1.353 515 G CA -0.575 44.582 45.100 0.094 0.000 1.043 515 G HN 0.265 nan 8.290 nan 0.000 0.523 516 R N -1.447 119.088 120.500 0.058 0.000 2.119 516 R HA 0.156 3.231 4.340 -2.109 0.000 0.222 516 R C -0.056 175.996 176.300 -0.413 0.000 1.088 516 R CA 0.832 56.837 56.100 -0.159 0.000 0.984 516 R CB -0.089 30.073 30.300 -0.231 0.000 0.884 516 R HN 0.348 nan 8.270 nan 0.000 0.447 517 F N 1.371 121.348 119.950 0.045 0.000 2.584 517 F HA 0.288 3.549 4.527 -2.111 0.000 0.328 517 F C -1.122 174.726 175.800 0.079 0.000 1.407 517 F CA -1.108 56.716 58.000 -0.293 0.000 1.145 517 F CB 1.008 39.547 39.000 -0.768 0.000 1.440 517 F HN -0.223 nan 8.300 nan 0.000 0.580 518 D N 1.836 122.508 120.400 0.454 0.000 2.313 518 D HA 0.204 3.578 4.640 -2.109 0.000 0.239 518 D C 0.158 176.790 176.300 0.554 0.000 1.142 518 D CA -0.087 54.220 54.000 0.511 0.000 0.847 518 D CB 2.346 43.484 40.800 0.562 0.000 1.082 518 D HN -0.007 nan 8.370 nan 0.000 0.480 519 V N 3.744 123.926 119.914 0.446 0.000 2.493 519 V HA -0.044 2.811 4.120 -2.109 0.000 0.292 519 V C 1.223 177.374 176.094 0.096 0.000 1.016 519 V CA -0.131 62.284 62.300 0.192 0.000 1.097 519 V CB -0.040 31.842 31.823 0.098 0.000 0.947 519 V HN 0.360 nan 8.190 nan 0.000 0.479 520 L N 7.884 129.053 121.223 -0.089 0.000 2.474 520 L HA 0.289 3.363 4.340 -2.109 0.000 0.259 520 L C -1.817 174.841 176.870 -0.353 0.000 1.232 520 L CA -1.169 53.464 54.840 -0.345 0.000 0.821 520 L CB 0.586 42.535 42.059 -0.182 0.000 1.108 520 L HN 0.484 nan 8.230 nan 0.000 0.495 521 P HA 0.282 nan 4.420 nan 0.000 0.296 521 P C -1.058 176.181 177.300 -0.102 0.000 1.301 521 P CA -0.637 62.243 63.100 -0.366 0.000 0.862 521 P CB 1.332 32.617 31.700 -0.693 0.000 1.046 522 L N 2.996 124.247 121.223 0.048 0.000 2.456 522 L HA 0.215 3.289 4.340 -2.109 0.000 0.272 522 L C 0.901 177.867 176.870 0.160 0.000 1.189 522 L CA -0.047 54.886 54.840 0.155 0.000 0.846 522 L CB 0.059 42.262 42.059 0.240 0.000 1.111 522 L HN 0.295 nan 8.230 nan 0.000 0.475 523 L N 5.297 126.645 121.223 0.208 0.000 2.417 523 L HA 0.432 3.506 4.340 -2.109 0.000 0.259 523 L C -0.789 176.101 176.870 0.033 0.000 1.023 523 L CA -0.346 54.541 54.840 0.078 0.000 0.901 523 L CB 0.740 42.900 42.059 0.169 0.000 1.227 523 L HN 0.516 nan 8.230 nan 0.000 0.454 524 L N 3.409 124.657 121.223 0.042 0.000 2.307 524 L HA 0.458 3.533 4.340 -2.109 0.000 0.282 524 L C -0.082 176.698 176.870 -0.149 0.000 1.051 524 L CA -0.278 54.566 54.840 0.006 0.000 0.804 524 L CB 1.621 43.733 42.059 0.088 0.000 1.197 524 L HN 0.533 nan 8.230 nan 0.000 0.431 525 Q N 2.866 122.571 119.800 -0.158 0.000 2.341 525 Q HA 0.673 3.748 4.340 -2.109 0.000 0.268 525 Q C -1.401 174.482 176.000 -0.195 0.000 1.013 525 Q CA -0.621 55.042 55.803 -0.234 0.000 0.798 525 Q CB 2.032 30.646 28.738 -0.207 0.000 1.253 525 Q HN 0.782 nan 8.270 nan 0.000 0.457 526 A N 4.032 126.687 122.820 -0.275 0.000 2.330 526 A HA 0.340 3.395 4.320 -2.109 0.000 0.327 526 A C 0.297 177.421 177.584 -0.767 0.000 1.155 526 A CA -0.312 51.418 52.037 -0.511 0.000 0.803 526 A CB 0.631 19.546 19.000 -0.142 0.000 1.208 526 A HN 1.173 nan 8.150 nan 0.000 0.477 527 N N 0.596 118.348 118.700 -1.580 0.000 2.653 527 N HA -0.322 3.153 4.740 -2.109 0.000 0.248 527 N C 1.045 176.276 175.510 -0.465 0.000 1.154 527 N CA 1.649 54.168 53.050 -0.886 0.000 0.780 527 N CB -0.376 37.857 38.487 -0.423 0.000 1.155 527 N HN 1.946 nan 8.380 nan 0.000 0.570 528 G N -1.663 106.893 108.800 -0.406 0.000 2.307 528 G HA2 -0.244 2.451 3.960 -2.109 0.000 0.210 528 G HA3 -0.244 2.451 3.960 -2.109 0.000 0.210 528 G C 0.077 174.875 174.900 -0.169 0.000 1.005 528 G CA 0.104 45.049 45.100 -0.258 0.000 0.634 528 G HN 0.408 nan 8.290 nan 0.000 0.496 529 N N 1.879 120.456 118.700 -0.205 0.000 2.260 529 N HA 0.238 3.712 4.740 -2.109 0.000 0.230 529 N C -0.322 175.078 175.510 -0.183 0.000 1.323 529 N CA 0.315 53.287 53.050 -0.130 0.000 0.897 529 N CB 0.184 38.597 38.487 -0.122 0.000 1.146 529 N HN 0.288 nan 8.380 nan 0.000 0.460 530 D N 0.989 121.322 120.400 -0.111 0.000 2.399 530 D HA 0.141 3.516 4.640 -2.109 0.000 0.241 530 D C -1.785 174.275 176.300 -0.399 0.000 1.133 530 D CA -0.598 53.255 54.000 -0.245 0.000 0.890 530 D CB 0.004 40.820 40.800 0.027 0.000 1.201 530 D HN 0.300 nan 8.370 nan 0.000 0.432 531 P HA 0.130 nan 4.420 nan 0.000 0.272 531 P C -0.714 176.355 177.300 -0.386 0.000 1.230 531 P CA -0.201 62.502 63.100 -0.661 0.000 0.788 531 P CB 1.029 31.953 31.700 -1.293 0.000 0.949 532 E N 0.482 120.502 120.200 -0.300 0.000 2.266 532 E HA 0.449 3.534 4.350 -2.109 0.000 0.268 532 E C -0.563 175.731 176.600 -0.510 0.000 0.879 532 E CA -0.916 55.257 56.400 -0.379 0.000 0.762 532 E CB 1.722 31.180 29.700 -0.404 0.000 1.199 532 E HN 0.349 nan 8.360 nan 0.000 0.422 533 L N 2.600 123.462 121.223 -0.602 0.000 2.375 533 L HA 0.498 3.573 4.340 -2.109 0.000 0.271 533 L C -0.794 175.532 176.870 -0.908 0.000 1.107 533 L CA -0.157 54.376 54.840 -0.512 0.000 0.806 533 L CB 0.299 42.182 42.059 -0.294 0.000 1.146 533 L HN 0.477 nan 8.230 nan 0.000 0.447 534 F N 0.347 120.143 119.950 -0.256 0.000 2.596 534 F HA 0.298 2.598 4.527 -3.712 0.000 0.311 534 F C -0.279 175.402 175.800 -0.200 0.000 1.116 534 F CA -0.801 56.950 58.000 -0.415 0.000 0.957 534 F CB 1.911 40.435 39.000 -0.794 0.000 1.250 534 F HN 0.266 nan 8.300 nan 0.000 0.444 535 Q N 3.010 122.832 119.800 0.037 0.000 2.314 535 Q HA 0.551 3.625 4.340 -2.109 0.000 0.259 535 Q C -0.777 175.373 176.000 0.249 0.000 0.951 535 Q CA -0.279 55.603 55.803 0.132 0.000 0.909 535 Q CB 1.035 29.859 28.738 0.142 0.000 1.236 535 Q HN 0.579 nan 8.270 nan 0.000 0.444 536 I N 6.600 127.324 120.570 0.257 0.000 2.683 536 I HA 0.091 2.995 4.170 -2.109 0.000 0.286 536 I C -1.800 174.428 176.117 0.183 0.000 1.175 536 I CA -1.646 59.807 61.300 0.256 0.000 1.429 536 I CB 0.465 38.535 38.000 0.115 0.000 1.371 536 I HN 0.528 nan 8.210 nan 0.000 0.569 537 P HA 0.009 nan 4.420 nan 0.000 0.261 537 P C -2.001 175.352 177.300 0.089 0.000 1.183 537 P CA -0.685 62.492 63.100 0.127 0.000 0.761 537 P CB 0.188 31.950 31.700 0.102 0.000 0.785 538 P HA -0.224 nan 4.420 nan 0.000 0.216 538 P C 1.343 178.677 177.300 0.056 0.000 1.150 538 P CA 1.391 64.537 63.100 0.077 0.000 0.843 538 P CB -0.189 31.561 31.700 0.083 0.000 0.787 539 E N -0.038 120.191 120.200 0.048 0.000 2.409 539 E HA -0.120 2.964 4.350 -2.109 0.000 0.198 539 E C 1.649 178.265 176.600 0.026 0.000 1.024 539 E CA 0.924 57.344 56.400 0.034 0.000 0.861 539 E CB -1.032 28.685 29.700 0.029 0.000 0.788 539 E HN 0.327 nan 8.360 nan 0.000 0.521 540 L N 0.770 122.010 121.223 0.028 0.000 2.375 540 L HA 0.098 3.173 4.340 -2.109 0.000 0.215 540 L C 0.742 177.623 176.870 0.019 0.000 1.108 540 L CA 0.079 54.929 54.840 0.017 0.000 0.830 540 L CB 0.439 42.501 42.059 0.005 0.000 0.959 540 L HN -0.103 nan 8.230 nan 0.000 0.457 541 V N 2.499 122.428 119.914 0.025 0.000 2.322 541 V HA 0.107 2.961 4.120 -2.109 0.000 0.258 541 V C 0.076 176.194 176.094 0.039 0.000 1.074 541 V CA -0.511 61.803 62.300 0.023 0.000 0.909 541 V CB 0.942 32.775 31.823 0.017 0.000 1.090 541 V HN 0.064 nan 8.190 nan 0.000 0.486 542 L N 5.821 127.069 121.223 0.042 0.000 2.418 542 L HA 0.405 3.480 4.340 -2.109 0.000 0.274 542 L C 0.164 177.059 176.870 0.042 0.000 1.135 542 L CA 0.726 55.583 54.840 0.028 0.000 0.870 542 L CB 0.203 42.272 42.059 0.016 0.000 1.154 542 L HN 0.638 nan 8.230 nan 0.000 0.462 543 E N 3.437 123.646 120.200 0.015 0.000 2.299 543 E HA 0.609 3.693 4.350 -2.109 0.000 0.265 543 E C -1.418 175.132 176.600 -0.084 0.000 0.911 543 E CA -1.047 55.366 56.400 0.022 0.000 0.789 543 E CB 2.517 32.267 29.700 0.083 0.000 1.246 543 E HN 0.404 nan 8.360 nan 0.000 0.427 544 V N 3.418 123.263 119.914 -0.116 0.000 2.407 544 V HA 0.310 3.165 4.120 -2.109 0.000 0.291 544 V C -2.301 173.766 176.094 -0.046 0.000 1.018 544 V CA -1.857 60.323 62.300 -0.200 0.000 0.842 544 V CB 1.561 33.029 31.823 -0.591 0.000 0.996 544 V HN 0.547 nan 8.190 nan 0.000 0.426 545 P HA 0.275 nan 4.420 nan 0.000 0.276 545 P C -0.857 176.487 177.300 0.072 0.000 1.230 545 P CA -0.189 62.914 63.100 0.006 0.000 0.776 545 P CB 1.143 32.845 31.700 0.003 0.000 0.888 546 I N 4.798 125.448 120.570 0.134 0.000 2.297 546 I HA 0.281 3.186 4.170 -2.109 0.000 0.291 546 I C 1.221 177.533 176.117 0.325 0.000 1.033 546 I CA -0.266 61.184 61.300 0.249 0.000 1.253 546 I CB -0.061 38.157 38.000 0.365 0.000 1.396 546 I HN 0.424 nan 8.210 nan 0.000 0.476 547 R N 5.123 125.773 120.500 0.251 0.000 2.912 547 R HA 0.534 3.608 4.340 -2.109 0.000 0.262 547 R C -1.097 175.206 176.300 0.006 0.000 1.057 547 R CA -0.698 55.551 56.100 0.247 0.000 0.981 547 R CB 2.042 32.466 30.300 0.206 0.000 1.201 547 R HN 0.503 nan 8.270 nan 0.000 0.484 548 H N 1.649 120.547 119.070 -0.287 0.000 2.472 548 H HA 0.338 3.628 4.556 -2.109 0.000 0.338 548 H C -1.826 173.082 175.328 -0.699 0.000 1.133 548 H CA -2.237 53.414 56.048 -0.661 0.000 1.216 548 H CB 2.344 31.540 29.762 -0.944 0.000 1.497 548 H HN 0.367 nan 8.280 nan 0.000 0.500 549 P HA 0.051 nan 4.420 nan 0.000 0.252 549 P C 0.065 177.171 177.300 -0.324 0.000 1.265 549 P CA 0.720 63.253 63.100 -0.946 0.000 0.775 549 P CB 0.522 31.455 31.700 -1.278 0.000 1.128 550 K N -1.481 118.821 120.400 -0.163 0.000 2.937 550 K HA 0.177 3.232 4.320 -2.109 0.000 0.194 550 K C 0.450 177.011 176.600 -0.066 0.000 1.589 550 K CA 0.005 56.167 56.287 -0.209 0.000 1.303 550 K CB 0.239 32.517 32.500 -0.370 0.000 1.864 550 K HN 0.020 nan 8.250 nan 0.000 0.608 551 F N 3.996 123.652 119.950 -0.490 0.000 2.509 551 F HA 0.105 3.367 4.527 -2.109 0.000 0.350 551 F C 0.706 176.179 175.800 -0.545 0.000 1.220 551 F CA -0.745 56.866 58.000 -0.649 0.000 1.151 551 F CB 0.352 38.612 39.000 -1.234 0.000 1.379 551 F HN 0.030 nan 8.300 nan 0.000 0.610 552 D N 2.951 123.331 120.400 -0.033 0.000 2.228 552 D HA -0.212 3.162 4.640 -2.109 0.000 0.203 552 D C 2.046 178.389 176.300 0.072 0.000 0.988 552 D CA 1.205 55.228 54.000 0.038 0.000 0.864 552 D CB -0.089 40.771 40.800 0.101 0.000 0.928 552 D HN 0.723 nan 8.370 nan 0.000 0.469 553 W N 0.165 121.576 121.300 0.185 0.000 2.525 553 W HA -0.067 3.327 4.660 -2.109 0.000 0.259 553 W C 1.664 178.278 176.519 0.160 0.000 1.253 553 W CA -0.333 57.089 57.345 0.129 0.000 1.262 553 W CB -1.301 28.197 29.460 0.064 0.000 1.122 553 W HN -0.165 nan 8.180 nan 0.000 0.607 554 F N 3.701 123.337 119.950 -0.522 0.000 2.091 554 F HA -0.300 2.961 4.527 -2.110 0.000 0.299 554 F C 2.823 178.612 175.800 -0.018 0.000 1.103 554 F CA 3.456 61.223 58.000 -0.389 0.000 1.228 554 F CB -0.355 38.385 39.000 -0.433 0.000 0.984 554 F HN -0.109 nan 8.300 nan 0.000 0.477 555 K N -0.189 120.308 120.400 0.161 0.000 2.103 555 K HA -0.228 2.826 4.320 -2.109 0.000 0.207 555 K C 1.465 178.114 176.600 0.083 0.000 1.048 555 K CA 2.004 58.369 56.287 0.131 0.000 0.930 555 K CB -0.834 31.739 32.500 0.122 0.000 0.716 555 K HN 0.210 nan 8.250 nan 0.000 0.444 556 D N 1.296 121.762 120.400 0.109 0.000 2.311 556 D HA -0.128 3.247 4.640 -2.109 0.000 0.212 556 D C 1.872 178.214 176.300 0.070 0.000 0.972 556 D CA 0.815 54.877 54.000 0.105 0.000 0.887 556 D CB -0.071 40.818 40.800 0.149 0.000 0.915 556 D HN 0.317 nan 8.370 nan 0.000 0.497 557 L N -0.024 121.208 121.223 0.015 0.000 2.362 557 L HA -0.025 3.050 4.340 -2.109 0.000 0.219 557 L C 1.447 178.324 176.870 0.011 0.000 1.134 557 L CA 0.597 55.412 54.840 -0.042 0.000 0.807 557 L CB -0.372 41.527 42.059 -0.266 0.000 0.927 557 L HN 0.108 nan 8.230 nan 0.000 0.447 558 G N 0.771 109.594 108.800 0.038 0.000 2.246 558 G HA2 -0.279 2.415 3.960 -2.109 0.000 0.273 558 G HA3 -0.279 2.415 3.960 -2.109 0.000 0.273 558 G C -0.054 174.909 174.900 0.104 0.000 1.055 558 G CA -0.089 45.066 45.100 0.091 0.000 0.851 558 G HN 0.238 nan 8.290 nan 0.000 0.500 559 L N -0.275 120.943 121.223 -0.008 0.000 2.322 559 L HA 0.790 3.865 4.340 -2.109 0.000 0.279 559 L C 0.540 177.294 176.870 -0.193 0.000 1.036 559 L CA -0.685 54.085 54.840 -0.117 0.000 0.807 559 L CB 1.775 43.755 42.059 -0.133 0.000 1.226 559 L HN 0.485 nan 8.230 nan 0.000 0.433 560 K N 2.094 122.196 120.400 -0.497 0.000 2.568 560 K HA 0.460 3.514 4.320 -2.109 0.000 0.273 560 K C -2.095 174.487 176.600 -0.030 0.000 0.951 560 K CA -1.004 55.133 56.287 -0.249 0.000 0.854 560 K CB 2.355 34.645 32.500 -0.350 0.000 1.424 560 K HN 0.567 nan 8.250 nan 0.000 0.427 561 W N 2.964 124.274 121.300 0.018 0.000 3.029 561 W HA 0.389 3.787 4.660 -2.104 0.000 0.339 561 W C -1.173 175.482 176.519 0.228 0.000 1.198 561 W CA -0.933 56.511 57.345 0.166 0.000 1.148 561 W CB 1.753 31.173 29.460 -0.066 0.000 1.451 561 W HN 0.713 nan 8.180 nan 0.000 0.564 562 Y N 0.251 120.460 120.300 -0.152 0.000 2.304 562 Y HA 0.535 3.823 4.550 -2.103 0.000 0.327 562 Y C 0.995 177.096 175.900 0.335 0.000 1.209 562 Y CA -0.036 58.053 58.100 -0.018 0.000 1.299 562 Y CB 0.410 38.709 38.460 -0.269 0.000 1.249 562 Y HN 0.450 nan 8.280 nan 0.000 0.519 563 G N 1.977 111.004 108.800 0.379 0.000 2.623 563 G HA2 0.005 2.699 3.960 -2.109 0.000 0.214 563 G HA3 0.005 2.699 3.960 -2.109 0.000 0.214 563 G C -0.304 174.911 174.900 0.525 0.000 1.138 563 G CA 0.005 45.388 45.100 0.470 0.000 0.794 563 G HN 0.544 nan 8.290 nan 0.000 0.535 564 L N 2.571 124.071 121.223 0.461 0.000 2.283 564 L HA 0.470 3.544 4.340 -2.109 0.000 0.281 564 L C -2.307 174.705 176.870 0.236 0.000 1.033 564 L CA -2.647 52.362 54.840 0.282 0.000 0.848 564 L CB 1.678 43.841 42.059 0.174 0.000 1.226 564 L HN -0.183 nan 8.230 nan 0.000 0.429 565 P HA 0.323 nan 4.420 nan 0.000 0.287 565 P C -1.230 175.983 177.300 -0.146 0.000 1.281 565 P CA -0.374 62.593 63.100 -0.222 0.000 0.781 565 P CB 1.570 32.720 31.700 -0.916 0.000 0.903 566 A N 4.139 126.872 122.820 -0.145 0.000 3.156 566 A HA 0.303 3.358 4.320 -2.109 0.000 0.311 566 A C -0.212 177.102 177.584 -0.450 0.000 1.129 566 A CA -0.568 51.296 52.037 -0.289 0.000 0.809 566 A CB 0.245 19.099 19.000 -0.244 0.000 1.257 566 A HN 0.285 nan 8.150 nan 0.000 0.491 567 V N 2.331 121.845 119.914 -0.667 0.000 2.583 567 V HA 0.010 2.865 4.120 -2.109 0.000 0.302 567 V C 1.438 177.069 176.094 -0.771 0.000 1.033 567 V CA 1.777 63.633 62.300 -0.739 0.000 1.194 567 V CB 0.591 31.837 31.823 -0.962 0.000 0.879 567 V HN 1.041 nan 8.190 nan 0.000 0.482 568 S N 2.099 117.555 115.700 -0.407 0.000 2.578 568 S HA 0.026 3.231 4.470 -2.109 0.000 0.228 568 S C 0.960 175.486 174.600 -0.124 0.000 1.022 568 S CA 0.114 58.158 58.200 -0.260 0.000 0.967 568 S CB -0.238 62.853 63.200 -0.181 0.000 0.914 568 S HN 0.920 nan 8.310 nan 0.000 0.515 569 N N 0.627 119.256 118.700 -0.117 0.000 2.268 569 N HA 0.252 3.727 4.740 -2.109 0.000 0.204 569 N C 0.303 175.817 175.510 0.006 0.000 1.124 569 N CA -0.356 52.664 53.050 -0.050 0.000 0.838 569 N CB 0.024 38.468 38.487 -0.071 0.000 0.994 569 N HN 0.303 nan 8.380 nan 0.000 0.489 570 M N 0.997 120.613 119.600 0.027 0.000 2.371 570 M HA 0.338 3.553 4.480 -2.109 0.000 0.301 570 M C -0.542 175.862 176.300 0.173 0.000 1.173 570 M CA -0.732 54.636 55.300 0.113 0.000 1.020 570 M CB 1.958 34.650 32.600 0.153 0.000 1.490 570 M HN 0.089 nan 8.290 nan 0.000 0.485 571 L N 2.265 123.599 121.223 0.185 0.000 2.325 571 L HA 0.500 3.574 4.340 -2.109 0.000 0.281 571 L C -1.519 175.469 176.870 0.196 0.000 1.004 571 L CA -0.959 53.986 54.840 0.174 0.000 0.823 571 L CB 1.394 43.508 42.059 0.092 0.000 1.236 571 L HN 0.527 nan 8.230 nan 0.000 0.415 572 L N 4.937 126.290 121.223 0.217 0.000 2.275 572 L HA 0.435 3.510 4.340 -2.109 0.000 0.288 572 L C -0.435 176.479 176.870 0.074 0.000 1.046 572 L CA 0.308 55.178 54.840 0.050 0.000 0.805 572 L CB 1.385 43.482 42.059 0.063 0.000 1.193 572 L HN 0.692 nan 8.230 nan 0.000 0.426 573 E N 5.737 125.886 120.200 -0.086 0.000 2.165 573 E HA 0.559 3.643 4.350 -2.109 0.000 0.266 573 E C -1.524 174.995 176.600 -0.135 0.000 0.889 573 E CA -0.469 55.888 56.400 -0.071 0.000 0.756 573 E CB 0.991 30.639 29.700 -0.087 0.000 1.131 573 E HN 0.691 nan 8.360 nan 0.000 0.411 574 I N 3.246 123.746 120.570 -0.117 0.000 2.533 574 I HA 0.340 3.245 4.170 -2.109 0.000 0.290 574 I C 0.784 176.678 176.117 -0.372 0.000 1.056 574 I CA -0.898 60.195 61.300 -0.345 0.000 1.057 574 I CB 2.139 39.919 38.000 -0.366 0.000 1.240 574 I HN 0.862 nan 8.210 nan 0.000 0.423 575 G N 4.062 112.570 108.800 -0.487 0.000 2.416 575 G HA2 -0.127 2.567 3.960 -2.109 0.000 0.301 575 G HA3 -0.127 2.567 3.960 -2.109 0.000 0.301 575 G C 1.060 176.035 174.900 0.125 0.000 0.985 575 G CA 0.996 46.068 45.100 -0.048 0.000 0.934 575 G HN 1.618 nan 8.290 nan 0.000 0.513 576 G N -2.041 106.769 108.800 0.017 0.000 2.225 576 G HA2 -0.257 2.437 3.960 -2.109 0.000 0.254 576 G HA3 -0.257 2.437 3.960 -2.109 0.000 0.254 576 G C 0.541 175.427 174.900 -0.024 0.000 0.988 576 G CA 0.495 45.618 45.100 0.038 0.000 0.625 576 G HN 1.265 nan 8.290 nan 0.000 0.527 577 L N 1.052 122.209 121.223 -0.111 0.000 2.395 577 L HA 0.513 3.587 4.340 -2.109 0.000 0.269 577 L C 0.395 177.027 176.870 -0.398 0.000 1.133 577 L CA -0.303 54.349 54.840 -0.314 0.000 0.812 577 L CB 0.827 42.586 42.059 -0.500 0.000 1.125 577 L HN 0.186 nan 8.230 nan 0.000 0.452 578 E N 2.921 122.828 120.200 -0.489 0.000 2.145 578 E HA 0.363 3.448 4.350 -2.109 0.000 0.270 578 E C -1.472 174.813 176.600 -0.525 0.000 0.906 578 E CA -0.389 55.795 56.400 -0.360 0.000 0.761 578 E CB 1.579 31.179 29.700 -0.166 0.000 1.116 578 E HN 0.276 nan 8.360 nan 0.000 0.408 579 F N 1.703 121.640 119.950 -0.022 0.000 2.325 579 F HA 0.097 3.357 4.527 -2.112 0.000 0.369 579 F C 1.463 177.302 175.800 0.066 0.000 1.095 579 F CA -0.549 57.459 58.000 0.013 0.000 1.082 579 F CB 1.381 40.368 39.000 -0.022 0.000 1.289 579 F HN 0.415 nan 8.300 nan 0.000 0.462 580 S N 1.459 117.282 115.700 0.204 0.000 2.527 580 S HA 0.351 3.556 4.470 -2.109 0.000 0.222 580 S C 0.682 175.413 174.600 0.219 0.000 0.985 580 S CA 0.211 58.517 58.200 0.177 0.000 0.921 580 S CB 0.129 63.409 63.200 0.134 0.000 0.772 580 S HN 0.515 nan 8.310 nan 0.000 0.529 581 A N 1.004 124.004 122.820 0.301 0.000 2.466 581 A HA 0.588 3.642 4.320 -2.109 0.000 0.291 581 A C -0.132 177.671 177.584 0.365 0.000 1.234 581 A CA -0.642 51.604 52.037 0.349 0.000 0.752 581 A CB 0.165 19.418 19.000 0.421 0.000 1.153 581 A HN 1.004 nan 8.150 nan 0.000 0.458 582 C N 0.853 120.302 119.300 0.248 0.000 3.327 582 C HA 0.481 3.676 4.460 -2.109 0.000 0.192 582 C C -2.576 172.492 174.990 0.130 0.000 1.603 582 C CA -1.810 57.310 59.018 0.170 0.000 1.222 582 C CB -0.299 27.589 27.740 0.246 0.000 1.981 582 C HN 0.578 nan 8.230 nan 0.000 0.563 583 P HA 0.271 nan 4.420 nan 0.000 0.265 583 P C -0.592 176.663 177.300 -0.075 0.000 1.193 583 P CA 1.059 64.062 63.100 -0.162 0.000 0.765 583 P CB 0.491 32.080 31.700 -0.184 0.000 0.823 584 F N -0.319 119.537 119.950 -0.157 0.000 2.613 584 F HA 0.793 4.056 4.527 -2.106 0.000 0.314 584 F C -0.773 174.926 175.800 -0.168 0.000 1.075 584 F CA -1.296 56.627 58.000 -0.127 0.000 0.945 584 F CB 1.521 40.312 39.000 -0.349 0.000 1.310 584 F HN 0.437 nan 8.300 nan 0.000 0.467 585 S N -0.159 115.651 115.700 0.183 0.000 2.550 585 S HA 0.893 4.098 4.470 -2.109 0.000 0.270 585 S C -0.763 173.801 174.600 -0.060 0.000 1.145 585 S CA -0.147 58.083 58.200 0.051 0.000 0.852 585 S CB 1.424 64.709 63.200 0.141 0.000 1.119 585 S HN 1.508 nan 8.310 nan 0.000 0.465 586 G N 0.214 108.919 108.800 -0.158 0.000 2.890 586 G HA2 0.730 3.425 3.960 -2.109 0.000 0.199 586 G HA3 0.730 3.425 3.960 -2.109 0.000 0.199 586 G C -1.276 173.601 174.900 -0.037 0.000 1.729 586 G CA -0.049 44.864 45.100 -0.313 0.000 0.767 586 G HN 1.352 nan 8.290 nan 0.000 0.804 587 W N -1.543 119.736 121.300 -0.036 0.000 3.153 587 W HA 0.732 4.126 4.660 -2.111 0.000 0.316 587 W C -1.698 174.795 176.519 -0.044 0.000 1.255 587 W CA -2.333 55.003 57.345 -0.016 0.000 1.192 587 W CB 0.118 29.620 29.460 0.070 0.000 1.400 587 W HN 0.440 nan 8.180 nan 0.000 0.568 588 Y N 2.867 123.360 120.300 0.321 0.000 2.480 588 Y HA 0.251 3.535 4.550 -2.110 0.000 0.338 588 Y C 1.042 177.004 175.900 0.103 0.000 1.220 588 Y CA -0.313 57.854 58.100 0.112 0.000 1.430 588 Y CB 1.023 39.446 38.460 -0.061 0.000 1.311 588 Y HN 0.482 nan 8.280 nan 0.000 0.575 589 M N 2.564 122.308 119.600 0.241 0.000 2.238 589 M HA 0.345 3.560 4.480 -2.109 0.000 0.350 589 M C 1.100 177.393 176.300 -0.012 0.000 1.138 589 M CA -0.050 55.321 55.300 0.119 0.000 1.040 589 M CB 1.282 33.930 32.600 0.080 0.000 1.639 589 M HN 0.866 nan 8.290 nan 0.000 0.451 590 G N 1.858 110.610 108.800 -0.080 0.000 2.649 590 G HA2 -0.369 2.326 3.960 -2.109 0.000 0.220 590 G HA3 -0.369 2.326 3.960 -2.109 0.000 0.220 590 G C 1.177 175.917 174.900 -0.266 0.000 1.189 590 G CA 2.029 46.999 45.100 -0.216 0.000 0.777 590 G HN 0.919 nan 8.290 nan 0.000 0.602 591 T N -0.634 113.807 114.554 -0.188 0.000 2.822 591 T HA -0.149 2.936 4.350 -2.109 0.000 0.270 591 T C 1.952 176.479 174.700 -0.288 0.000 1.064 591 T CA 1.898 63.842 62.100 -0.261 0.000 1.131 591 T CB -0.446 68.237 68.868 -0.307 0.000 0.858 591 T HN 0.588 nan 8.240 nan 0.000 0.483 592 E N 0.837 120.888 120.200 -0.249 0.000 2.118 592 E HA -0.064 3.021 4.350 -2.109 0.000 0.195 592 E C 2.088 178.396 176.600 -0.487 0.000 0.992 592 E CA 1.526 57.783 56.400 -0.238 0.000 0.804 592 E CB -0.324 29.378 29.700 0.003 0.000 0.741 592 E HN 0.641 nan 8.360 nan 0.000 0.458 593 I N -0.001 120.103 120.570 -0.777 0.000 2.364 593 I HA -0.019 2.886 4.170 -2.109 0.000 0.241 593 I C 2.612 178.123 176.117 -1.011 0.000 1.082 593 I CA 0.796 61.342 61.300 -1.257 0.000 1.401 593 I CB -0.565 36.505 38.000 -1.549 0.000 1.126 593 I HN 0.078 nan 8.210 nan 0.000 0.429 594 G N 0.778 109.187 108.800 -0.650 0.000 2.442 594 G HA2 -0.145 2.550 3.960 -2.109 0.000 0.219 594 G HA3 -0.145 2.550 3.960 -2.109 0.000 0.219 594 G C 1.600 176.410 174.900 -0.151 0.000 1.141 594 G CA 1.169 46.096 45.100 -0.289 0.000 0.763 594 G HN 0.229 nan 8.290 nan 0.000 0.554 595 V N 0.003 119.785 119.914 -0.221 0.000 2.436 595 V HA 0.083 2.937 4.120 -2.109 0.000 0.240 595 V C 2.797 178.808 176.094 -0.138 0.000 1.040 595 V CA 0.951 63.159 62.300 -0.154 0.000 1.052 595 V CB -0.221 31.485 31.823 -0.195 0.000 0.707 595 V HN 0.116 nan 8.190 nan 0.000 0.469 596 R N 0.670 121.051 120.500 -0.198 0.000 2.052 596 R HA -0.016 3.059 4.340 -2.109 0.000 0.226 596 R C 1.968 178.195 176.300 -0.120 0.000 1.145 596 R CA 1.476 57.485 56.100 -0.152 0.000 0.952 596 R CB -1.112 29.089 30.300 -0.165 0.000 0.847 596 R HN 0.479 nan 8.270 nan 0.000 0.431 597 D N 0.104 120.338 120.400 -0.277 0.000 2.144 597 D HA -0.144 3.231 4.640 -2.109 0.000 0.199 597 D C 2.050 178.370 176.300 0.034 0.000 0.984 597 D CA 1.233 55.083 54.000 -0.249 0.000 0.834 597 D CB -0.142 40.094 40.800 -0.940 0.000 0.955 597 D HN 0.368 nan 8.370 nan 0.000 0.465 598 Y N -0.222 119.971 120.300 -0.179 0.000 2.301 598 Y HA -0.040 3.244 4.550 -2.110 0.000 0.295 598 Y C 2.357 178.297 175.900 0.066 0.000 1.119 598 Y CA 0.233 58.320 58.100 -0.022 0.000 1.162 598 Y CB 0.324 38.744 38.460 -0.066 0.000 1.046 598 Y HN 0.010 nan 8.280 nan 0.000 0.538 599 C N -0.670 118.735 119.300 0.175 0.000 3.070 599 C HA 0.159 3.354 4.460 -2.109 0.000 0.280 599 C C 0.219 175.251 174.990 0.069 0.000 1.264 599 C CA -0.749 58.338 59.018 0.114 0.000 1.690 599 C CB -0.909 26.874 27.740 0.072 0.000 2.049 599 C HN 0.240 nan 8.230 nan 0.000 0.636 600 D N 1.865 122.300 120.400 0.059 0.000 2.488 600 D HA 0.018 3.392 4.640 -2.109 0.000 0.238 600 D C 1.154 177.492 176.300 0.063 0.000 1.138 600 D CA 0.453 54.475 54.000 0.037 0.000 0.873 600 D CB 0.514 41.335 40.800 0.035 0.000 1.183 600 D HN 0.177 nan 8.370 nan 0.000 0.458 601 N N 0.541 119.266 118.700 0.042 0.000 2.149 601 N HA -0.150 3.325 4.740 -2.109 0.000 0.188 601 N C 1.218 176.759 175.510 0.051 0.000 1.019 601 N CA 0.916 53.996 53.050 0.049 0.000 0.857 601 N CB -0.082 38.427 38.487 0.036 0.000 0.997 601 N HN 0.398 nan 8.380 nan 0.000 0.426 602 S N -0.154 115.574 115.700 0.048 0.000 2.671 602 S HA 0.251 3.456 4.470 -2.109 0.000 0.220 602 S C 1.029 175.666 174.600 0.062 0.000 0.951 602 S CA -0.294 57.934 58.200 0.046 0.000 0.932 602 S CB 0.574 63.799 63.200 0.042 0.000 0.777 602 S HN 0.024 nan 8.310 nan 0.000 0.508 603 R N 0.238 120.794 120.500 0.093 0.000 2.769 603 R HA 0.393 3.467 4.340 -2.109 0.000 0.117 603 R C 0.651 177.031 176.300 0.134 0.000 1.152 603 R CA -0.535 55.658 56.100 0.154 0.000 0.887 603 R CB -1.088 29.350 30.300 0.229 0.000 1.099 603 R HN 0.289 nan 8.270 nan 0.000 0.398 604 Y N 1.919 122.323 120.300 0.174 0.000 2.571 604 Y HA 0.005 3.288 4.550 -2.111 0.000 0.294 604 Y C 0.617 176.583 175.900 0.110 0.000 1.141 604 Y CA 0.844 59.042 58.100 0.163 0.000 1.308 604 Y CB -0.518 38.098 38.460 0.259 0.000 1.002 604 Y HN 0.532 nan 8.280 nan 0.000 0.551 605 N N 1.234 120.063 118.700 0.215 0.000 2.696 605 N HA -0.230 3.244 4.740 -2.109 0.000 0.271 605 N C 0.364 175.960 175.510 0.144 0.000 0.997 605 N CA 0.363 53.500 53.050 0.145 0.000 0.801 605 N CB -0.931 37.612 38.487 0.093 0.000 0.913 605 N HN 0.625 nan 8.380 nan 0.000 0.557 606 I N -1.920 118.747 120.570 0.162 0.000 3.891 606 I HA 0.112 3.016 4.170 -2.109 0.000 0.331 606 I C 1.467 177.673 176.117 0.149 0.000 1.406 606 I CA -0.547 60.832 61.300 0.130 0.000 1.139 606 I CB 0.053 38.102 38.000 0.081 0.000 1.056 606 I HN 0.215 nan 8.210 nan 0.000 0.399 607 L N 0.955 122.281 121.223 0.172 0.000 1.994 607 L HA -0.157 2.918 4.340 -2.109 0.000 0.208 607 L C 2.609 179.674 176.870 0.326 0.000 1.071 607 L CA 1.848 56.823 54.840 0.225 0.000 0.745 607 L CB -0.456 41.703 42.059 0.166 0.000 0.892 607 L HN 0.372 nan 8.230 nan 0.000 0.431 608 E N -0.012 120.375 120.200 0.312 0.000 2.033 608 E HA -0.279 2.805 4.350 -2.109 0.000 0.199 608 E C 1.978 178.636 176.600 0.097 0.000 1.011 608 E CA 1.763 58.299 56.400 0.226 0.000 0.815 608 E CB -0.166 29.604 29.700 0.118 0.000 0.755 608 E HN 0.514 nan 8.360 nan 0.000 0.451 609 E N 0.396 120.639 120.200 0.072 0.000 2.055 609 E HA -0.249 2.835 4.350 -2.109 0.000 0.209 609 E C 2.229 178.846 176.600 0.028 0.000 1.036 609 E CA 1.914 58.326 56.400 0.021 0.000 0.849 609 E CB -0.321 29.397 29.700 0.030 0.000 0.767 609 E HN 0.066 nan 8.360 nan 0.000 0.461 610 V N 1.296 121.287 119.914 0.128 0.000 2.380 610 V HA -0.328 2.526 4.120 -2.109 0.000 0.251 610 V C 2.299 178.511 176.094 0.197 0.000 1.063 610 V CA 1.924 64.374 62.300 0.250 0.000 1.055 610 V CB -0.919 31.127 31.823 0.372 0.000 0.657 610 V HN 0.398 nan 8.190 nan 0.000 0.455 611 A N -0.345 122.593 122.820 0.196 0.000 1.902 611 A HA -0.227 2.827 4.320 -2.109 0.000 0.217 611 A C 2.301 179.856 177.584 -0.048 0.000 1.181 611 A CA 1.954 54.094 52.037 0.171 0.000 0.623 611 A CB -0.423 18.763 19.000 0.310 0.000 0.818 611 A HN 0.548 nan 8.150 nan 0.000 0.443 612 K N -0.154 120.173 120.400 -0.121 0.000 1.991 612 K HA -0.162 2.893 4.320 -2.109 0.000 0.212 612 K C 2.053 178.459 176.600 -0.324 0.000 1.049 612 K CA 1.588 57.748 56.287 -0.211 0.000 0.932 612 K CB -0.212 32.176 32.500 -0.186 0.000 0.717 612 K HN 0.223 nan 8.250 nan 0.000 0.441 613 K N 0.532 120.649 120.400 -0.472 0.000 2.160 613 K HA -0.139 2.915 4.320 -2.109 0.000 0.206 613 K C 1.952 177.972 176.600 -0.967 0.000 1.047 613 K CA 1.459 57.163 56.287 -0.972 0.000 0.930 613 K CB -0.172 31.270 32.500 -1.762 0.000 0.720 613 K HN 0.291 nan 8.250 nan 0.000 0.450 614 M N 0.119 119.409 119.600 -0.517 0.000 2.619 614 M HA -0.083 3.132 4.480 -2.109 0.000 0.251 614 M C -0.304 175.857 176.300 -0.232 0.000 1.106 614 M CA 0.351 55.482 55.300 -0.282 0.000 1.086 614 M CB -0.203 32.407 32.600 0.015 0.000 1.465 614 M HN 0.064 nan 8.290 nan 0.000 0.506 615 D N 1.595 121.845 120.400 -0.249 0.000 2.746 615 D HA -0.155 3.219 4.640 -2.109 0.000 0.241 615 D C -1.143 175.083 176.300 -0.123 0.000 1.140 615 D CA 0.418 54.303 54.000 -0.192 0.000 0.707 615 D CB -0.770 39.916 40.800 -0.191 0.000 1.034 615 D HN 0.276 nan 8.370 nan 0.000 0.423 616 L N 0.418 121.580 121.223 -0.101 0.000 2.360 616 L HA 0.385 3.460 4.340 -2.109 0.000 0.271 616 L C 0.880 177.681 176.870 -0.115 0.000 1.057 616 L CA -1.011 53.805 54.840 -0.040 0.000 0.803 616 L CB 1.013 43.123 42.059 0.085 0.000 1.207 616 L HN 0.041 nan 8.230 nan 0.000 0.445 617 D N 2.566 122.931 120.400 -0.059 0.000 2.441 617 D HA 0.069 3.443 4.640 -2.109 0.000 0.243 617 D C 0.480 176.652 176.300 -0.214 0.000 1.257 617 D CA 0.257 54.198 54.000 -0.099 0.000 1.027 617 D CB 0.467 41.256 40.800 -0.017 0.000 1.084 617 D HN 0.354 nan 8.370 nan 0.000 0.514 618 M N 2.276 121.573 119.600 -0.506 0.000 2.608 618 M HA 0.139 3.354 4.480 -2.109 0.000 0.224 618 M C 1.694 177.705 176.300 -0.482 0.000 1.204 618 M CA -0.014 54.636 55.300 -1.082 0.000 0.984 618 M CB 0.339 32.072 32.600 -1.445 0.000 1.691 618 M HN 0.133 nan 8.290 nan 0.000 0.469 619 R N 1.448 121.826 120.500 -0.205 0.000 2.093 619 R HA 0.012 3.087 4.340 -2.109 0.000 0.224 619 R C 0.039 176.356 176.300 0.027 0.000 1.101 619 R CA 0.894 56.947 56.100 -0.078 0.000 0.979 619 R CB 0.125 30.393 30.300 -0.055 0.000 0.877 619 R HN 0.355 nan 8.270 nan 0.000 0.441 620 K N -0.089 120.369 120.400 0.098 0.000 2.426 620 K HA 0.240 3.295 4.320 -2.109 0.000 0.254 620 K C 0.497 177.258 176.600 0.268 0.000 0.936 620 K CA -0.391 55.987 56.287 0.151 0.000 0.801 620 K CB 1.922 34.479 32.500 0.095 0.000 1.139 620 K HN -0.141 nan 8.250 nan 0.000 0.424 621 T N -1.247 113.450 114.554 0.237 0.000 2.737 621 T HA -0.275 2.810 4.350 -2.109 0.000 0.269 621 T C 1.815 176.570 174.700 0.092 0.000 1.040 621 T CA 1.946 64.147 62.100 0.168 0.000 1.142 621 T CB -0.671 68.239 68.868 0.071 0.000 0.861 621 T HN 0.642 nan 8.240 nan 0.000 0.456 622 S N 1.952 117.705 115.700 0.088 0.000 2.584 622 S HA -0.068 3.136 4.470 -2.109 0.000 0.240 622 S C 2.024 176.670 174.600 0.078 0.000 0.975 622 S CA 0.862 59.098 58.200 0.060 0.000 0.949 622 S CB -0.931 62.300 63.200 0.051 0.000 0.761 622 S HN 0.838 nan 8.310 nan 0.000 0.536 623 S N 1.424 117.208 115.700 0.140 0.000 2.558 623 S HA 0.273 3.477 4.470 -2.109 0.000 0.217 623 S C 0.923 175.604 174.600 0.134 0.000 0.975 623 S CA 0.029 58.321 58.200 0.154 0.000 0.912 623 S CB -0.898 62.433 63.200 0.219 0.000 0.776 623 S HN 0.589 nan 8.310 nan 0.000 0.526 624 L N 0.996 122.256 121.223 0.062 0.000 3.717 624 L HA -0.180 2.894 4.340 -2.109 0.000 0.414 624 L C 1.660 178.515 176.870 -0.026 0.000 1.228 624 L CA 0.728 55.542 54.840 -0.044 0.000 0.918 624 L CB -2.442 39.611 42.059 -0.010 0.000 1.865 624 L HN 0.735 nan 8.230 nan 0.000 0.922 625 W N 0.023 121.343 121.300 0.032 0.000 2.363 625 W HA -0.135 3.259 4.660 -2.110 0.000 0.296 625 W C 1.758 178.309 176.519 0.052 0.000 1.212 625 W CA 1.272 58.641 57.345 0.040 0.000 1.260 625 W CB -0.763 28.713 29.460 0.027 0.000 1.131 625 W HN 0.253 nan 8.180 nan 0.000 0.530 626 K N 1.036 120.896 120.400 -0.901 0.000 2.063 626 K HA -0.180 2.875 4.320 -2.109 0.000 0.208 626 K C 1.519 177.971 176.600 -0.247 0.000 1.048 626 K CA 2.429 58.277 56.287 -0.730 0.000 0.928 626 K CB -0.332 31.597 32.500 -0.951 0.000 0.713 626 K HN 0.074 nan 8.250 nan 0.000 0.442 627 D N 0.515 120.793 120.400 -0.204 0.000 2.097 627 D HA -0.141 3.233 4.640 -2.109 0.000 0.197 627 D C 2.022 178.327 176.300 0.009 0.000 0.984 627 D CA 1.051 55.001 54.000 -0.083 0.000 0.826 627 D CB -0.019 40.737 40.800 -0.073 0.000 0.973 627 D HN 0.195 nan 8.370 nan 0.000 0.460 628 Q N 0.379 120.212 119.800 0.055 0.000 2.002 628 Q HA -0.157 2.917 4.340 -2.109 0.000 0.204 628 Q C 2.369 178.472 176.000 0.171 0.000 0.988 628 Q CA 1.476 57.353 55.803 0.123 0.000 0.843 628 Q CB -0.280 28.554 28.738 0.160 0.000 0.908 628 Q HN 0.296 nan 8.270 nan 0.000 0.420 629 A N 1.012 123.956 122.820 0.208 0.000 1.892 629 A HA -0.228 2.826 4.320 -2.109 0.000 0.218 629 A C 2.097 179.810 177.584 0.216 0.000 1.188 629 A CA 1.535 53.735 52.037 0.272 0.000 0.631 629 A CB -0.877 18.308 19.000 0.309 0.000 0.822 629 A HN 0.368 nan 8.150 nan 0.000 0.447 630 L N 0.015 121.312 121.223 0.123 0.000 2.013 630 L HA -0.186 2.888 4.340 -2.109 0.000 0.212 630 L C 2.445 179.364 176.870 0.082 0.000 1.073 630 L CA 2.269 57.157 54.840 0.080 0.000 0.753 630 L CB -0.610 41.452 42.059 0.004 0.000 0.890 630 L HN 0.188 nan 8.230 nan 0.000 0.432 631 V N -0.171 119.791 119.914 0.081 0.000 2.255 631 V HA -0.296 2.558 4.120 -2.109 0.000 0.247 631 V C 2.669 178.814 176.094 0.084 0.000 1.051 631 V CA 2.002 64.348 62.300 0.077 0.000 1.018 631 V CB -0.771 31.103 31.823 0.084 0.000 0.641 631 V HN 0.483 nan 8.190 nan 0.000 0.445 632 E N 0.072 120.362 120.200 0.150 0.000 2.033 632 E HA -0.225 2.859 4.350 -2.109 0.000 0.199 632 E C 2.169 178.798 176.600 0.048 0.000 1.011 632 E CA 1.772 58.273 56.400 0.168 0.000 0.815 632 E CB -0.550 29.361 29.700 0.351 0.000 0.755 632 E HN 0.578 nan 8.360 nan 0.000 0.451 633 I N 1.741 122.416 120.570 0.175 0.000 2.113 633 I HA -0.353 2.551 4.170 -2.109 0.000 0.242 633 I C 2.100 178.236 176.117 0.032 0.000 1.057 633 I CA 1.367 62.783 61.300 0.194 0.000 1.314 633 I CB -0.508 37.677 38.000 0.307 0.000 1.022 633 I HN 0.134 nan 8.210 nan 0.000 0.408 634 N N 0.643 119.350 118.700 0.012 0.000 2.381 634 N HA -0.080 3.395 4.740 -2.109 0.000 0.182 634 N C 1.915 177.372 175.510 -0.089 0.000 1.025 634 N CA 1.144 54.169 53.050 -0.043 0.000 0.888 634 N CB 0.039 38.509 38.487 -0.030 0.000 0.965 634 N HN 0.424 nan 8.380 nan 0.000 0.438 635 I N 1.012 121.493 120.570 -0.148 0.000 2.439 635 I HA -0.158 2.746 4.170 -2.109 0.000 0.251 635 I C 2.356 178.259 176.117 -0.356 0.000 1.139 635 I CA 0.393 61.548 61.300 -0.242 0.000 1.438 635 I CB -0.087 37.712 38.000 -0.335 0.000 1.085 635 I HN 0.042 nan 8.210 nan 0.000 0.427 636 A N 0.201 122.732 122.820 -0.482 0.000 1.930 636 A HA -0.111 2.943 4.320 -2.109 0.000 0.217 636 A C 2.392 179.906 177.584 -0.117 0.000 1.175 636 A CA 1.298 53.037 52.037 -0.497 0.000 0.627 636 A CB -0.736 17.708 19.000 -0.927 0.000 0.815 636 A HN 0.213 nan 8.150 nan 0.000 0.443 637 V N 0.245 120.123 119.914 -0.060 0.000 2.270 637 V HA -0.237 2.617 4.120 -2.109 0.000 0.245 637 V C 2.581 178.663 176.094 -0.020 0.000 1.043 637 V CA 1.925 64.220 62.300 -0.008 0.000 1.014 637 V CB -0.747 30.977 31.823 -0.166 0.000 0.645 637 V HN 0.571 nan 8.190 nan 0.000 0.447 638 L N -1.184 119.992 121.223 -0.079 0.000 2.042 638 L HA -0.235 2.839 4.340 -2.109 0.000 0.210 638 L C 2.521 179.416 176.870 0.041 0.000 1.076 638 L CA 2.203 57.015 54.840 -0.047 0.000 0.749 638 L CB -0.817 41.214 42.059 -0.047 0.000 0.893 638 L HN 0.427 nan 8.230 nan 0.000 0.432 639 Y N 0.842 121.078 120.300 -0.106 0.000 2.097 639 Y HA -0.293 2.991 4.550 -2.109 0.000 0.282 639 Y C 2.807 178.689 175.900 -0.031 0.000 1.152 639 Y CA 1.793 59.827 58.100 -0.110 0.000 1.136 639 Y CB -0.390 37.930 38.460 -0.234 0.000 0.975 639 Y HN 0.070 nan 8.280 nan 0.000 0.498 640 S N 0.436 116.106 115.700 -0.050 0.000 2.351 640 S HA -0.208 2.996 4.470 -2.109 0.000 0.220 640 S C 1.795 176.359 174.600 -0.059 0.000 1.035 640 S CA 1.639 59.780 58.200 -0.098 0.000 1.031 640 S CB -0.986 62.277 63.200 0.105 0.000 0.928 640 S HN 0.454 nan 8.310 nan 0.000 0.433 641 F N 2.022 121.904 119.950 -0.114 0.000 2.087 641 F HA -0.228 3.034 4.527 -2.110 0.000 0.299 641 F C 2.709 178.439 175.800 -0.117 0.000 1.100 641 F CA 1.509 59.462 58.000 -0.079 0.000 1.226 641 F CB -0.867 38.112 39.000 -0.035 0.000 0.983 641 F HN 0.269 nan 8.300 nan 0.000 0.479 642 Q N -0.636 119.189 119.800 0.042 0.000 2.050 642 Q HA -0.172 2.902 4.340 -2.109 0.000 0.202 642 Q C 2.407 178.319 176.000 -0.146 0.000 0.980 642 Q CA 1.921 57.690 55.803 -0.056 0.000 0.840 642 Q CB -0.456 28.243 28.738 -0.065 0.000 0.898 642 Q HN 0.284 nan 8.270 nan 0.000 0.424 643 S N 1.302 116.832 115.700 -0.283 0.000 2.374 643 S HA -0.162 3.043 4.470 -2.109 0.000 0.227 643 S C 1.034 175.518 174.600 -0.195 0.000 1.037 643 S CA 1.565 59.575 58.200 -0.318 0.000 1.024 643 S CB -0.257 62.618 63.200 -0.543 0.000 0.861 643 S HN 0.343 nan 8.310 nan 0.000 0.456 644 D N 0.303 120.595 120.400 -0.181 0.000 2.319 644 D HA 0.187 3.561 4.640 -2.109 0.000 0.230 644 D C 0.275 176.501 176.300 -0.122 0.000 1.094 644 D CA 0.169 54.079 54.000 -0.149 0.000 0.856 644 D CB -0.117 40.573 40.800 -0.183 0.000 0.915 644 D HN 0.093 nan 8.370 nan 0.000 0.517 645 K N -0.830 119.508 120.400 -0.103 0.000 3.069 645 K HA -0.141 2.914 4.320 -2.109 0.000 0.267 645 K C -0.814 175.742 176.600 -0.072 0.000 1.082 645 K CA 0.232 56.471 56.287 -0.080 0.000 0.782 645 K CB -1.596 30.859 32.500 -0.075 0.000 1.230 645 K HN 0.048 nan 8.250 nan 0.000 0.488 646 V N 0.902 120.777 119.914 -0.065 0.000 2.481 646 V HA 0.222 3.076 4.120 -2.109 0.000 0.286 646 V C 0.893 177.036 176.094 0.083 0.000 1.042 646 V CA -0.713 61.570 62.300 -0.029 0.000 0.928 646 V CB 1.839 33.558 31.823 -0.173 0.000 0.986 646 V HN 0.246 nan 8.190 nan 0.000 0.462 647 T N 6.174 120.747 114.554 0.032 0.000 2.928 647 T HA 0.458 3.542 4.350 -2.109 0.000 0.305 647 T C -0.243 174.516 174.700 0.098 0.000 1.035 647 T CA 0.724 62.775 62.100 -0.081 0.000 1.145 647 T CB 0.142 68.804 68.868 -0.344 0.000 0.963 647 T HN 0.591 nan 8.240 nan 0.000 0.545 648 I N 2.153 122.724 120.570 0.001 0.000 2.842 648 I HA 0.564 3.468 4.170 -2.109 0.000 0.296 648 I C -1.673 174.464 176.117 0.033 0.000 1.538 648 I CA -0.842 60.502 61.300 0.073 0.000 0.994 648 I CB 1.777 39.765 38.000 -0.020 0.000 1.372 648 I HN 0.451 nan 8.210 nan 0.000 0.478 649 V N 5.300 125.283 119.914 0.114 0.000 2.656 649 V HA 0.505 3.360 4.120 -2.109 0.000 0.307 649 V C -1.168 174.966 176.094 0.066 0.000 1.051 649 V CA -0.277 62.089 62.300 0.109 0.000 0.893 649 V CB 2.271 34.236 31.823 0.236 0.000 0.999 649 V HN 0.870 nan 8.190 nan 0.000 0.426 650 D N 3.846 124.265 120.400 0.031 0.000 2.344 650 D HA 0.190 3.565 4.640 -2.109 0.000 0.244 650 D C 1.280 177.568 176.300 -0.019 0.000 1.134 650 D CA 0.001 54.000 54.000 -0.001 0.000 0.930 650 D CB 0.492 41.262 40.800 -0.050 0.000 1.175 650 D HN 0.736 nan 8.370 nan 0.000 0.437 651 H N 0.346 119.334 119.070 -0.136 0.000 2.456 651 H HA -0.169 3.122 4.556 -2.109 0.000 0.296 651 H C 1.010 176.227 175.328 -0.186 0.000 1.079 651 H CA 1.371 57.305 56.048 -0.190 0.000 1.322 651 H CB -0.632 28.959 29.762 -0.284 0.000 1.388 651 H HN 0.538 nan 8.280 nan 0.000 0.538 652 H N 0.741 119.641 119.070 -0.284 0.000 2.299 652 H HA -0.081 3.210 4.556 -2.109 0.000 0.302 652 H C 2.529 177.839 175.328 -0.029 0.000 1.078 652 H CA 1.510 57.472 56.048 -0.144 0.000 1.323 652 H CB -0.223 29.415 29.762 -0.206 0.000 1.381 652 H HN 0.421 nan 8.280 nan 0.000 0.498 653 S N 0.594 116.347 115.700 0.087 0.000 2.355 653 S HA -0.101 3.104 4.470 -2.109 0.000 0.222 653 S C 2.440 177.105 174.600 0.110 0.000 1.031 653 S CA 1.158 59.411 58.200 0.088 0.000 0.993 653 S CB -0.302 62.939 63.200 0.068 0.000 0.859 653 S HN 0.452 nan 8.310 nan 0.000 0.453 654 A N 0.983 123.869 122.820 0.110 0.000 1.902 654 A HA -0.076 2.978 4.320 -2.109 0.000 0.217 654 A C 2.503 180.182 177.584 0.158 0.000 1.181 654 A CA 2.430 54.551 52.037 0.141 0.000 0.623 654 A CB -1.675 17.401 19.000 0.125 0.000 0.818 654 A HN 0.806 nan 8.150 nan 0.000 0.443 655 T N -2.220 112.412 114.554 0.131 0.000 2.857 655 T HA -0.127 2.958 4.350 -2.109 0.000 0.266 655 T C 1.745 176.568 174.700 0.206 0.000 1.048 655 T CA 1.389 63.587 62.100 0.164 0.000 1.139 655 T CB -0.336 68.598 68.868 0.111 0.000 0.874 655 T HN 0.609 nan 8.240 nan 0.000 0.455 656 E N 1.101 121.397 120.200 0.160 0.000 2.085 656 E HA -0.151 2.934 4.350 -2.109 0.000 0.194 656 E C 2.335 179.021 176.600 0.144 0.000 0.994 656 E CA 1.301 57.786 56.400 0.141 0.000 0.801 656 E CB -0.245 29.521 29.700 0.109 0.000 0.743 656 E HN 0.531 nan 8.360 nan 0.000 0.453 657 S N 0.157 115.951 115.700 0.157 0.000 2.359 657 S HA -0.162 3.042 4.470 -2.109 0.000 0.224 657 S C 1.500 176.207 174.600 0.179 0.000 1.035 657 S CA 1.158 59.449 58.200 0.152 0.000 1.018 657 S CB -0.464 62.831 63.200 0.159 0.000 0.876 657 S HN 0.375 nan 8.310 nan 0.000 0.448 658 F N 2.344 122.359 119.950 0.107 0.000 2.126 658 F HA -0.130 3.131 4.527 -2.109 0.000 0.299 658 F C 1.865 177.761 175.800 0.160 0.000 1.096 658 F CA 1.015 59.099 58.000 0.139 0.000 1.255 658 F CB -0.277 38.785 39.000 0.103 0.000 0.997 658 F HN 0.111 nan 8.300 nan 0.000 0.479 659 I N 0.595 121.238 120.570 0.121 0.000 2.179 659 I HA -0.315 2.590 4.170 -2.109 0.000 0.242 659 I C 2.452 178.549 176.117 -0.034 0.000 1.088 659 I CA 1.599 62.921 61.300 0.037 0.000 1.357 659 I CB -1.424 36.640 38.000 0.107 0.000 1.051 659 I HN 0.199 nan 8.210 nan 0.000 0.409 660 K N 0.118 120.528 120.400 0.017 0.000 2.063 660 K HA -0.284 2.771 4.320 -2.109 0.000 0.208 660 K C 2.348 178.944 176.600 -0.007 0.000 1.048 660 K CA 1.819 58.114 56.287 0.014 0.000 0.928 660 K CB -0.263 32.264 32.500 0.045 0.000 0.713 660 K HN 0.306 nan 8.250 nan 0.000 0.442 661 H N 0.362 119.351 119.070 -0.136 0.000 2.353 661 H HA -0.060 3.231 4.556 -2.109 0.000 0.300 661 H C 1.984 177.176 175.328 -0.227 0.000 1.090 661 H CA 2.286 58.226 56.048 -0.180 0.000 1.327 661 H CB -0.072 29.547 29.762 -0.239 0.000 1.383 661 H HN 0.158 nan 8.280 nan 0.000 0.508 662 M N 0.077 119.410 119.600 -0.445 0.000 2.080 662 M HA -0.171 3.043 4.480 -2.109 0.000 0.260 662 M C 2.184 178.458 176.300 -0.045 0.000 1.068 662 M CA 2.078 57.194 55.300 -0.306 0.000 1.109 662 M CB -0.144 32.318 32.600 -0.231 0.000 1.342 662 M HN 0.458 nan 8.290 nan 0.000 0.405 663 E N 0.073 120.232 120.200 -0.069 0.000 2.058 663 E HA -0.203 2.881 4.350 -2.109 0.000 0.194 663 E C 1.723 178.319 176.600 -0.007 0.000 0.997 663 E CA 1.173 57.564 56.400 -0.015 0.000 0.801 663 E CB -0.348 29.334 29.700 -0.030 0.000 0.746 663 E HN 0.523 nan 8.360 nan 0.000 0.450 664 N N 0.990 119.652 118.700 -0.063 0.000 2.069 664 N HA -0.158 3.317 4.740 -2.109 0.000 0.191 664 N C 1.702 177.152 175.510 -0.100 0.000 1.031 664 N CA 0.974 53.989 53.050 -0.059 0.000 0.852 664 N CB -0.227 38.239 38.487 -0.036 0.000 1.018 664 N HN 0.186 nan 8.380 nan 0.000 0.423 665 E N 0.144 120.203 120.200 -0.235 0.000 2.110 665 E HA -0.134 2.951 4.350 -2.109 0.000 0.193 665 E C 1.914 178.368 176.600 -0.244 0.000 0.988 665 E CA 0.723 56.942 56.400 -0.302 0.000 0.804 665 E CB -0.372 29.015 29.700 -0.522 0.000 0.745 665 E HN 0.487 nan 8.360 nan 0.000 0.458 666 Y N 1.506 121.712 120.300 -0.157 0.000 2.163 666 Y HA -0.174 3.110 4.550 -2.109 0.000 0.288 666 Y C 2.601 178.459 175.900 -0.071 0.000 1.136 666 Y CA 1.960 60.004 58.100 -0.094 0.000 1.147 666 Y CB -0.143 38.273 38.460 -0.074 0.000 0.987 666 Y HN 0.091 nan 8.280 nan 0.000 0.509 667 R N -1.672 118.864 120.500 0.061 0.000 2.193 667 R HA -0.024 3.051 4.340 -2.109 0.000 0.213 667 R C 1.567 177.860 176.300 -0.012 0.000 1.055 667 R CA 1.543 57.658 56.100 0.025 0.000 0.995 667 R CB -1.046 29.269 30.300 0.025 0.000 0.893 667 R HN 0.278 nan 8.270 nan 0.000 0.459 668 C N -0.362 118.916 119.300 -0.036 0.000 2.791 668 C HA 0.339 3.533 4.460 -2.109 0.000 0.288 668 C C 2.122 177.078 174.990 -0.058 0.000 1.271 668 C CA -0.258 58.741 59.018 -0.033 0.000 1.726 668 C CB -0.282 27.451 27.740 -0.010 0.000 2.145 668 C HN 0.530 nan 8.230 nan 0.000 0.572 669 R N -0.063 120.371 120.500 -0.110 0.000 2.521 669 R HA 0.256 3.331 4.340 -2.109 0.000 0.289 669 R C 1.185 177.375 176.300 -0.183 0.000 0.936 669 R CA 0.863 56.880 56.100 -0.138 0.000 1.089 669 R CB 0.482 30.678 30.300 -0.173 0.000 1.348 669 R HN 0.400 nan 8.270 nan 0.000 0.536 670 G N 0.244 108.924 108.800 -0.200 0.000 2.137 670 G HA2 -0.142 2.553 3.960 -2.109 0.000 0.237 670 G HA3 -0.142 2.553 3.960 -2.109 0.000 0.237 670 G C 0.165 174.805 174.900 -0.433 0.000 1.002 670 G CA 0.172 45.136 45.100 -0.226 0.000 0.702 670 G HN 0.838 nan 8.290 nan 0.000 0.515 671 G N -2.412 105.911 108.800 -0.796 0.000 2.369 671 G HA2 0.509 3.204 3.960 -2.109 0.000 0.293 671 G HA3 0.509 3.204 3.960 -2.109 0.000 0.293 671 G C -0.648 173.756 174.900 -0.828 0.000 1.301 671 G CA 0.508 44.768 45.100 -1.399 0.000 0.913 671 G HN 2.034 nan 8.290 nan 0.000 0.540 672 C N 2.160 121.152 119.300 -0.514 0.000 2.968 672 C HA 0.660 3.855 4.460 -2.109 0.000 0.389 672 C C -2.501 172.415 174.990 -0.122 0.000 1.068 672 C CA -0.930 57.951 59.018 -0.228 0.000 1.272 672 C CB 0.912 28.535 27.740 -0.195 0.000 1.711 672 C HN 0.778 nan 8.230 nan 0.000 0.501 673 P HA 0.410 nan 4.420 nan 0.000 0.268 673 P C -0.640 176.554 177.300 -0.178 0.000 1.204 673 P CA 0.586 63.278 63.100 -0.680 0.000 0.768 673 P CB 1.120 32.222 31.700 -0.998 0.000 0.842 674 A N 2.083 124.863 122.820 -0.067 0.000 2.540 674 A HA 0.391 3.446 4.320 -2.109 0.000 0.297 674 A C -1.275 176.359 177.584 0.082 0.000 1.056 674 A CA -0.548 51.547 52.037 0.097 0.000 0.700 674 A CB 1.228 20.432 19.000 0.339 0.000 1.280 674 A HN 0.454 nan 8.150 nan 0.000 0.398 675 D N 1.976 122.409 120.400 0.055 0.000 2.467 675 D HA 0.174 3.548 4.640 -2.109 0.000 0.220 675 D C 0.821 177.241 176.300 0.199 0.000 1.103 675 D CA -0.511 53.557 54.000 0.113 0.000 0.886 675 D CB 0.263 41.081 40.800 0.029 0.000 1.025 675 D HN 0.576 nan 8.370 nan 0.000 0.514 676 W N 3.765 125.094 121.300 0.047 0.000 2.305 676 W HA -0.290 3.104 4.660 -2.109 0.000 0.308 676 W C 1.694 178.242 176.519 0.048 0.000 1.226 676 W CA 1.348 58.710 57.345 0.027 0.000 1.253 676 W CB 0.017 29.474 29.460 -0.004 0.000 1.146 676 W HN 0.307 nan 8.180 nan 0.000 0.507 677 V N -0.652 119.553 119.914 0.486 0.000 2.469 677 V HA -0.316 2.538 4.120 -2.109 0.000 0.251 677 V C 1.530 177.723 176.094 0.165 0.000 1.064 677 V CA 2.098 64.622 62.300 0.373 0.000 1.066 677 V CB -0.934 31.118 31.823 0.380 0.000 0.667 677 V HN 0.307 nan 8.190 nan 0.000 0.461 678 W N -1.409 119.869 121.300 -0.038 0.000 2.630 678 W HA 0.233 3.627 4.660 -2.110 0.000 0.271 678 W C 2.178 178.581 176.519 -0.194 0.000 1.244 678 W CA -0.076 57.216 57.345 -0.089 0.000 1.353 678 W CB -0.125 29.305 29.460 -0.049 0.000 1.080 678 W HN 0.077 nan 8.180 nan 0.000 0.594 679 I N -0.033 120.495 120.570 -0.070 0.000 2.252 679 I HA -0.101 2.803 4.170 -2.109 0.000 0.245 679 I C 0.727 176.635 176.117 -0.349 0.000 1.102 679 I CA 0.838 61.965 61.300 -0.287 0.000 1.385 679 I CB -1.639 36.102 38.000 -0.432 0.000 1.064 679 I HN -0.413 nan 8.210 nan 0.000 0.414 680 V N 3.965 123.570 119.914 -0.514 0.000 2.529 680 V HA 0.047 2.902 4.120 -2.109 0.000 0.292 680 V C -1.890 174.013 176.094 -0.317 0.000 1.028 680 V CA -0.961 61.030 62.300 -0.515 0.000 1.074 680 V CB -0.069 31.218 31.823 -0.893 0.000 0.958 680 V HN 0.142 nan 8.190 nan 0.000 0.481 681 P HA 0.102 nan 4.420 nan 0.000 0.268 681 P C -1.795 175.365 177.300 -0.234 0.000 1.208 681 P CA -1.073 61.891 63.100 -0.226 0.000 0.777 681 P CB 0.041 31.606 31.700 -0.224 0.000 0.875 682 P HA -0.031 nan 4.420 nan 0.000 0.239 682 P C -0.043 177.136 177.300 -0.202 0.000 1.184 682 P CA 1.200 64.173 63.100 -0.213 0.000 0.760 682 P CB -0.032 31.537 31.700 -0.219 0.000 0.884 683 M N -5.043 114.405 119.600 -0.254 0.000 2.520 683 M HA 0.495 3.709 4.480 -2.109 0.000 0.283 683 M C -0.315 175.861 176.300 -0.206 0.000 1.237 683 M CA -0.629 54.535 55.300 -0.226 0.000 0.885 683 M CB 1.884 34.326 32.600 -0.265 0.000 1.727 683 M HN -0.366 nan 8.290 nan 0.000 0.468 684 S N 0.557 116.192 115.700 -0.107 0.000 3.533 684 S HA -0.194 3.010 4.470 -2.109 0.000 0.347 684 S C 1.155 175.721 174.600 -0.056 0.000 1.101 684 S CA 0.976 59.154 58.200 -0.036 0.000 1.009 684 S CB -2.038 61.214 63.200 0.086 0.000 0.916 684 S HN 1.260 nan 8.310 nan 0.000 0.496 685 G N 2.426 111.166 108.800 -0.099 0.000 2.766 685 G HA2 -0.395 2.300 3.960 -2.109 0.000 0.222 685 G HA3 -0.395 2.300 3.960 -2.109 0.000 0.222 685 G C 1.493 176.283 174.900 -0.184 0.000 1.225 685 G CA 1.893 46.945 45.100 -0.080 0.000 0.784 685 G HN 1.376 nan 8.290 nan 0.000 0.631 686 S N 0.814 116.125 115.700 -0.648 0.000 2.507 686 S HA 0.011 3.216 4.470 -2.109 0.000 0.235 686 S C 2.160 176.713 174.600 -0.077 0.000 0.988 686 S CA 1.126 58.794 58.200 -0.887 0.000 0.944 686 S CB -0.453 62.018 63.200 -1.214 0.000 0.762 686 S HN 0.831 nan 8.310 nan 0.000 0.526 687 I N 0.604 121.176 120.570 0.004 0.000 3.793 687 I HA 0.232 3.137 4.170 -2.109 0.000 0.315 687 I C 0.342 176.586 176.117 0.212 0.000 1.275 687 I CA -0.223 61.155 61.300 0.130 0.000 1.214 687 I CB -0.649 37.428 38.000 0.129 0.000 1.018 687 I HN 0.228 nan 8.210 nan 0.000 0.439 688 T N -1.491 113.184 114.554 0.201 0.000 2.895 688 T HA 0.448 3.533 4.350 -2.109 0.000 0.283 688 T C -1.498 173.374 174.700 0.286 0.000 1.014 688 T CA -1.923 60.308 62.100 0.217 0.000 1.037 688 T CB 1.762 70.708 68.868 0.130 0.000 1.006 688 T HN -0.087 nan 8.240 nan 0.000 0.468 689 P HA -0.116 nan 4.420 nan 0.000 0.218 689 P C 1.822 179.322 177.300 0.334 0.000 1.149 689 P CA 1.153 64.442 63.100 0.314 0.000 0.817 689 P CB -0.330 31.500 31.700 0.217 0.000 0.785 690 V N -3.591 116.465 119.914 0.237 0.000 2.594 690 V HA -0.212 2.643 4.120 -2.109 0.000 0.253 690 V C 2.386 178.570 176.094 0.150 0.000 1.069 690 V CA 1.320 63.727 62.300 0.178 0.000 1.082 690 V CB -2.297 29.551 31.823 0.042 0.000 0.680 690 V HN -0.106 nan 8.190 nan 0.000 0.469 691 F N 1.806 121.758 119.950 0.005 0.000 2.126 691 F HA -0.172 3.090 4.527 -2.109 0.000 0.299 691 F C 2.431 178.354 175.800 0.206 0.000 1.096 691 F CA 2.260 60.275 58.000 0.024 0.000 1.255 691 F CB -0.271 38.631 39.000 -0.163 0.000 0.997 691 F HN 0.282 nan 8.300 nan 0.000 0.479 692 H N -0.936 118.450 119.070 0.527 0.000 2.533 692 H HA 0.103 3.394 4.556 -2.109 0.000 0.271 692 H C 0.224 175.786 175.328 0.390 0.000 1.000 692 H CA 0.147 56.462 56.048 0.445 0.000 1.149 692 H CB -0.152 29.867 29.762 0.428 0.000 1.375 692 H HN 0.247 nan 8.280 nan 0.000 0.582 693 Q N 2.022 122.086 119.800 0.440 0.000 2.331 693 Q HA 0.143 3.218 4.340 -2.109 0.000 0.257 693 Q C -0.550 175.670 176.000 0.366 0.000 0.957 693 Q CA -0.357 55.657 55.803 0.352 0.000 0.923 693 Q CB 0.620 29.540 28.738 0.302 0.000 1.212 693 Q HN 0.234 nan 8.270 nan 0.000 0.443 694 E N 3.458 123.823 120.200 0.275 0.000 2.392 694 E HA 0.206 3.290 4.350 -2.109 0.000 0.264 694 E C -0.532 176.195 176.600 0.210 0.000 1.024 694 E CA 0.395 56.918 56.400 0.206 0.000 0.903 694 E CB 0.731 30.537 29.700 0.176 0.000 0.963 694 E HN 0.604 nan 8.360 nan 0.000 0.432 695 M N 2.632 122.365 119.600 0.221 0.000 2.518 695 M HA 0.392 3.606 4.480 -2.109 0.000 0.300 695 M C -1.084 175.331 176.300 0.192 0.000 1.175 695 M CA -0.658 54.790 55.300 0.248 0.000 0.890 695 M CB 1.774 34.575 32.600 0.335 0.000 1.710 695 M HN 0.239 nan 8.290 nan 0.000 0.453 696 L N 1.875 123.229 121.223 0.217 0.000 2.322 696 L HA 0.517 3.592 4.340 -2.109 0.000 0.281 696 L C -0.518 176.456 176.870 0.173 0.000 1.014 696 L CA -0.370 54.600 54.840 0.216 0.000 0.815 696 L CB 1.658 43.890 42.059 0.288 0.000 1.247 696 L HN 0.708 nan 8.230 nan 0.000 0.421 697 N N 2.646 121.430 118.700 0.141 0.000 2.400 697 N HA 0.597 4.071 4.740 -2.109 0.000 0.288 697 N C -1.777 173.812 175.510 0.131 0.000 1.024 697 N CA -0.425 52.633 53.050 0.013 0.000 0.894 697 N CB 1.458 39.967 38.487 0.036 0.000 1.173 697 N HN 0.475 nan 8.380 nan 0.000 0.487 698 Y N -0.351 119.965 120.300 0.028 0.000 2.641 698 Y HA 0.434 3.719 4.550 -2.109 0.000 0.333 698 Y C -1.408 174.493 175.900 0.002 0.000 1.174 698 Y CA -1.351 56.762 58.100 0.021 0.000 1.057 698 Y CB 0.706 39.193 38.460 0.045 0.000 1.322 698 Y HN 0.214 nan 8.280 nan 0.000 0.457 699 R N 2.677 123.272 120.500 0.158 0.000 2.229 699 R HA 0.677 3.751 4.340 -2.109 0.000 0.328 699 R C -1.248 175.107 176.300 0.093 0.000 1.009 699 R CA -0.670 55.464 56.100 0.057 0.000 0.864 699 R CB 1.438 31.753 30.300 0.025 0.000 1.085 699 R HN 0.692 nan 8.270 nan 0.000 0.453 700 L N 0.898 122.142 121.223 0.036 0.000 2.319 700 L HA 0.557 3.631 4.340 -2.109 0.000 0.267 700 L C 0.286 177.149 176.870 -0.012 0.000 1.011 700 L CA -0.816 54.047 54.840 0.038 0.000 0.818 700 L CB 2.314 44.398 42.059 0.041 0.000 1.316 700 L HN 0.501 nan 8.230 nan 0.000 0.432 701 T N 0.909 115.465 114.554 0.002 0.000 2.907 701 T HA 0.554 3.638 4.350 -2.109 0.000 0.292 701 T C -2.612 172.101 174.700 0.022 0.000 1.043 701 T CA -1.675 60.413 62.100 -0.020 0.000 1.003 701 T CB 2.068 70.930 68.868 -0.010 0.000 1.084 701 T HN 0.220 nan 8.240 nan 0.000 0.483 702 P HA 0.303 nan 4.420 nan 0.000 0.270 702 P C -1.103 176.078 177.300 -0.198 0.000 1.227 702 P CA -0.138 62.876 63.100 -0.143 0.000 0.788 702 P CB 0.501 32.079 31.700 -0.203 0.000 0.926 703 S N -0.548 114.981 115.700 -0.285 0.000 2.643 703 S HA 0.649 3.853 4.470 -2.109 0.000 0.270 703 S C -1.580 172.753 174.600 -0.445 0.000 1.166 703 S CA -0.834 57.178 58.200 -0.314 0.000 0.815 703 S CB 0.608 63.713 63.200 -0.158 0.000 1.139 703 S HN 0.131 nan 8.310 nan 0.000 0.472 704 F N 1.222 121.092 119.950 -0.132 0.000 2.436 704 F HA 0.653 3.913 4.527 -2.110 0.000 0.340 704 F C 0.723 176.404 175.800 -0.198 0.000 1.113 704 F CA -0.363 57.556 58.000 -0.135 0.000 1.022 704 F CB 1.655 40.556 39.000 -0.165 0.000 1.128 704 F HN 0.507 nan 8.300 nan 0.000 0.466 705 E N 1.977 122.185 120.200 0.014 0.000 2.359 705 E HA 0.310 3.395 4.350 -2.109 0.000 0.266 705 E C -1.284 175.250 176.600 -0.109 0.000 0.920 705 E CA -0.906 55.425 56.400 -0.115 0.000 0.788 705 E CB 2.113 31.791 29.700 -0.036 0.000 1.279 705 E HN 0.491 nan 8.360 nan 0.000 0.438 706 Y N 0.781 121.090 120.300 0.015 0.000 2.300 706 Y HA 0.192 3.475 4.550 -2.111 0.000 0.328 706 Y C 0.958 176.847 175.900 -0.018 0.000 1.270 706 Y CA -0.163 57.934 58.100 -0.005 0.000 1.352 706 Y CB 1.097 39.544 38.460 -0.021 0.000 1.286 706 Y HN 0.291 nan 8.280 nan 0.000 0.536 707 Q N 0.997 120.883 119.800 0.143 0.000 2.391 707 Q HA 0.496 3.571 4.340 -2.109 0.000 0.279 707 Q C -3.169 172.791 176.000 -0.067 0.000 1.028 707 Q CA -2.364 53.455 55.803 0.025 0.000 0.836 707 Q CB 1.773 30.517 28.738 0.010 0.000 1.414 707 Q HN 0.312 nan 8.270 nan 0.000 0.397 708 P HA 0.024 nan 4.420 nan 0.000 0.265 708 P C -0.947 176.131 177.300 -0.371 0.000 1.187 708 P CA 0.205 63.179 63.100 -0.209 0.000 0.766 708 P CB 0.361 31.959 31.700 -0.169 0.000 0.820 709 D N 4.203 124.260 120.400 -0.573 0.000 2.425 709 D HA -0.018 3.357 4.640 -2.109 0.000 0.247 709 D C -0.975 174.697 176.300 -1.047 0.000 1.147 709 D CA -1.133 52.239 54.000 -1.047 0.000 0.879 709 D CB 0.497 40.209 40.800 -1.813 0.000 1.179 709 D HN 0.271 nan 8.370 nan 0.000 0.456 710 P HA -0.174 nan 4.420 nan 0.000 0.217 710 P C 1.277 178.084 177.300 -0.822 0.000 1.151 710 P CA 1.330 63.871 63.100 -0.932 0.000 0.849 710 P CB -0.233 30.636 31.700 -1.385 0.000 0.787 711 W N 0.311 121.084 121.300 -0.878 0.000 2.982 711 W HA 0.112 3.503 4.660 -2.115 0.000 0.239 711 W C 0.448 176.956 176.519 -0.017 0.000 1.303 711 W CA -0.010 57.142 57.345 -0.321 0.000 1.448 711 W CB -1.696 27.707 29.460 -0.095 0.000 1.133 711 W HN -0.121 nan 8.180 nan 0.000 0.698 712 N N -0.088 118.507 118.700 -0.176 0.000 2.238 712 N HA 0.096 3.571 4.740 -2.109 0.000 0.235 712 N C 0.232 175.719 175.510 -0.038 0.000 1.209 712 N CA 0.540 53.564 53.050 -0.043 0.000 0.879 712 N CB 0.873 39.273 38.487 -0.144 0.000 1.136 712 N HN 0.162 nan 8.380 nan 0.000 0.517 713 T N -2.219 112.319 114.554 -0.026 0.000 3.147 713 T HA 0.001 3.086 4.350 -2.109 0.000 0.275 713 T C -0.147 174.597 174.700 0.074 0.000 0.879 713 T CA -0.258 61.841 62.100 -0.002 0.000 0.863 713 T CB 0.567 69.394 68.868 -0.067 0.000 1.236 713 T HN 0.155 nan 8.240 nan 0.000 0.582 714 H N 3.811 122.874 119.070 -0.011 0.000 2.944 714 H HA 0.408 3.700 4.556 -2.106 0.000 0.278 714 H C 0.229 175.544 175.328 -0.023 0.000 1.083 714 H CA -0.707 55.308 56.048 -0.055 0.000 1.479 714 H CB 0.356 30.054 29.762 -0.107 0.000 1.486 714 H HN 0.097 nan 8.280 nan 0.000 0.493 715 V N 4.346 124.051 119.914 -0.348 0.000 2.276 715 V HA 0.174 3.028 4.120 -2.109 0.000 0.249 715 V C 0.182 175.960 176.094 -0.527 0.000 1.160 715 V CA -1.129 61.021 62.300 -0.250 0.000 1.042 715 V CB -1.409 30.355 31.823 -0.100 0.000 1.224 715 V HN 0.572 nan 8.190 nan 0.000 0.496 716 W N 0.000 120.984 121.300 -0.526 0.000 2.388 716 W HA 0.000 3.390 4.660 -2.116 0.000 0.303 716 W CA 0.000 57.120 57.345 -0.374 0.000 1.226 716 W CB 0.000 29.397 29.460 -0.105 0.000 1.126 716 W HN 0.000 nan 8.180 nan 0.000 0.535