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 3jwv_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 0.000 176.529 176.300 0.382 0.000 0.893 299 R CA 0.000 56.258 56.100 0.263 0.000 0.921 299 R CB 0.000 30.468 30.300 0.280 0.000 0.687 300 F N 2.960 122.968 119.950 0.098 0.000 2.456 300 F HA 0.477 4.288 4.527 -1.193 0.000 0.358 300 F C -0.073 175.791 175.800 0.107 0.000 1.095 300 F CA -0.013 58.057 58.000 0.116 0.000 1.216 300 F CB 0.738 39.770 39.000 0.053 0.000 1.125 300 F HN 0.097 nan 8.300 nan 0.000 0.549 301 L N 4.518 125.874 121.223 0.222 0.000 2.365 301 L HA 0.467 4.091 4.340 -1.193 0.000 0.273 301 L C -0.390 176.543 176.870 0.106 0.000 1.000 301 L CA -0.954 53.942 54.840 0.092 0.000 0.819 301 L CB 2.069 44.066 42.059 -0.103 0.000 1.284 301 L HN 0.462 nan 8.230 nan 0.000 0.418 302 K N 2.725 123.169 120.400 0.074 0.000 2.138 302 K HA 0.637 4.241 4.320 -1.193 0.000 0.263 302 K C -0.911 175.702 176.600 0.022 0.000 0.965 302 K CA -0.673 55.642 56.287 0.047 0.000 0.868 302 K CB 2.613 35.130 32.500 0.027 0.000 1.083 302 K HN 0.401 nan 8.250 nan 0.000 0.443 303 V N -0.593 119.305 119.914 -0.026 0.000 2.604 303 V HA 0.553 3.957 4.120 -1.193 0.000 0.305 303 V C -0.601 175.429 176.094 -0.106 0.000 1.043 303 V CA -1.016 61.262 62.300 -0.037 0.000 0.888 303 V CB 1.624 33.425 31.823 -0.036 0.000 0.995 303 V HN 0.745 nan 8.190 nan 0.000 0.429 304 K N 3.171 123.515 120.400 -0.093 0.000 2.259 304 K HA 0.457 4.061 4.320 -1.193 0.000 0.249 304 K C -0.802 175.687 176.600 -0.186 0.000 0.942 304 K CA -0.725 55.415 56.287 -0.246 0.000 0.816 304 K CB 1.754 33.953 32.500 -0.501 0.000 1.155 304 K HN 0.910 nan 8.250 nan 0.000 0.428 305 N N 3.561 122.142 118.700 -0.199 0.000 2.425 305 N HA 0.102 4.126 4.740 -1.193 0.000 0.268 305 N C -0.280 175.159 175.510 -0.118 0.000 0.991 305 N CA -0.301 52.731 53.050 -0.029 0.000 0.931 305 N CB 0.540 39.036 38.487 0.015 0.000 1.130 305 N HN 0.661 nan 8.380 nan 0.000 0.493 306 W N 1.986 123.362 121.300 0.128 0.000 2.905 306 W HA 0.184 4.128 4.660 -1.194 0.000 0.251 306 W C 2.025 178.590 176.519 0.075 0.000 1.305 306 W CA -0.136 57.276 57.345 0.112 0.000 1.465 306 W CB 0.391 29.943 29.460 0.152 0.000 1.122 306 W HN 0.633 nan 8.180 nan 0.000 0.659 307 E N -0.361 119.958 120.200 0.198 0.000 2.140 307 E HA -0.111 3.523 4.350 -1.193 0.000 0.191 307 E C 1.850 178.457 176.600 0.011 0.000 0.973 307 E CA 1.705 58.120 56.400 0.025 0.000 0.829 307 E CB 0.203 29.855 29.700 -0.080 0.000 0.781 307 E HN 0.253 nan 8.360 nan 0.000 0.466 308 T N -3.160 111.399 114.554 0.007 0.000 2.985 308 T HA 0.088 3.722 4.350 -1.193 0.000 0.254 308 T C 0.509 175.177 174.700 -0.055 0.000 1.021 308 T CA 0.242 62.331 62.100 -0.019 0.000 0.957 308 T CB 0.430 69.291 68.868 -0.012 0.000 1.047 308 T HN -0.013 nan 8.240 nan 0.000 0.511 309 D N 0.348 120.687 120.400 -0.101 0.000 3.046 309 D HA -0.127 3.796 4.640 -1.193 0.000 0.210 309 D C -0.117 176.087 176.300 -0.160 0.000 1.124 309 D CA 0.503 54.401 54.000 -0.171 0.000 0.986 309 D CB -1.707 39.017 40.800 -0.127 0.000 1.118 309 D HN 0.421 nan 8.370 nan 0.000 0.416 310 V N 1.350 121.190 119.914 -0.123 0.000 2.540 310 V HA 0.094 3.498 4.120 -1.193 0.000 0.297 310 V C 0.888 176.889 176.094 -0.156 0.000 1.024 310 V CA 0.125 62.356 62.300 -0.115 0.000 1.105 310 V CB 1.585 33.356 31.823 -0.086 0.000 0.938 310 V HN -0.061 nan 8.190 nan 0.000 0.482 311 V N 7.150 126.978 119.914 -0.144 0.000 2.417 311 V HA 0.485 3.889 4.120 -1.193 0.000 0.291 311 V C -0.070 175.939 176.094 -0.142 0.000 1.024 311 V CA -0.485 61.724 62.300 -0.152 0.000 0.861 311 V CB 1.542 33.288 31.823 -0.128 0.000 0.985 311 V HN 0.622 nan 8.190 nan 0.000 0.436 312 L N 3.546 124.643 121.223 -0.210 0.000 2.334 312 L HA 0.685 4.309 4.340 -1.193 0.000 0.272 312 L C 0.118 176.933 176.870 -0.091 0.000 1.020 312 L CA -0.420 54.267 54.840 -0.256 0.000 0.812 312 L CB 2.173 43.775 42.059 -0.762 0.000 1.264 312 L HN 0.517 nan 8.230 nan 0.000 0.439 313 T N 0.178 114.793 114.554 0.102 0.000 2.779 313 T HA 0.220 3.854 4.350 -1.193 0.000 0.280 313 T C -0.808 174.075 174.700 0.306 0.000 0.987 313 T CA -0.455 61.758 62.100 0.188 0.000 0.966 313 T CB 1.363 70.341 68.868 0.183 0.000 0.933 313 T HN 0.439 nan 8.240 nan 0.000 0.442 314 D N 2.160 122.722 120.400 0.270 0.000 2.303 314 D HA 0.271 4.195 4.640 -1.193 0.000 0.236 314 D C 0.704 176.997 176.300 -0.013 0.000 1.068 314 D CA -0.388 53.729 54.000 0.195 0.000 0.830 314 D CB 1.610 42.597 40.800 0.312 0.000 1.109 314 D HN 0.631 nan 8.370 nan 0.000 0.496 315 T N 0.926 115.328 114.554 -0.253 0.000 3.004 315 T HA -0.003 3.631 4.350 -1.193 0.000 0.266 315 T C 1.710 176.109 174.700 -0.501 0.000 0.986 315 T CA -0.268 61.519 62.100 -0.521 0.000 0.902 315 T CB 0.162 68.610 68.868 -0.701 0.000 1.118 315 T HN 0.234 nan 8.240 nan 0.000 0.522 316 L N 3.015 124.038 121.223 -0.334 0.000 2.201 316 L HA -0.015 3.609 4.340 -1.193 0.000 0.212 316 L C 2.598 179.217 176.870 -0.419 0.000 1.105 316 L CA 1.749 56.421 54.840 -0.280 0.000 0.775 316 L CB -0.819 41.158 42.059 -0.137 0.000 0.913 316 L HN 0.563 nan 8.230 nan 0.000 0.440 317 H N -0.912 117.716 119.070 -0.736 0.000 2.457 317 H HA -0.167 3.673 4.556 -1.194 0.000 0.297 317 H C 1.836 176.854 175.328 -0.517 0.000 1.092 317 H CA 1.578 56.931 56.048 -1.160 0.000 1.309 317 H CB -0.800 28.251 29.762 -1.185 0.000 1.382 317 H HN 0.437 nan 8.280 nan 0.000 0.535 318 L N 0.401 121.081 121.223 -0.905 0.000 2.549 318 L HA -0.063 3.561 4.340 -1.193 0.000 0.229 318 L C 1.538 178.238 176.870 -0.283 0.000 1.158 318 L CA 1.001 55.516 54.840 -0.542 0.000 0.842 318 L CB -0.136 41.607 42.059 -0.526 0.000 0.952 318 L HN 0.167 nan 8.230 nan 0.000 0.452 319 K N -0.739 119.513 120.400 -0.247 0.000 2.437 319 K HA 0.103 3.707 4.320 -1.193 0.000 0.205 319 K C 0.607 177.173 176.600 -0.058 0.000 1.026 319 K CA -0.176 56.036 56.287 -0.125 0.000 1.153 319 K CB 0.632 33.070 32.500 -0.103 0.000 0.863 319 K HN -0.020 nan 8.250 nan 0.000 0.502 320 S N 0.710 116.372 115.700 -0.064 0.000 2.523 320 S HA 0.074 3.828 4.470 -1.193 0.000 0.275 320 S C 1.051 175.665 174.600 0.022 0.000 1.281 320 S CA -0.433 57.782 58.200 0.025 0.000 1.050 320 S CB 0.759 63.992 63.200 0.055 0.000 0.937 320 S HN 0.354 nan 8.310 nan 0.000 0.492 321 T N 4.377 118.955 114.554 0.039 0.000 3.053 321 T HA 0.289 3.922 4.350 -1.193 0.000 0.236 321 T C 0.930 175.652 174.700 0.036 0.000 0.996 321 T CA -0.181 61.937 62.100 0.029 0.000 1.185 321 T CB -0.544 68.340 68.868 0.026 0.000 0.892 321 T HN 0.513 nan 8.240 nan 0.000 0.432 322 L N 1.759 123.007 121.223 0.042 0.000 2.476 322 L HA 0.300 3.924 4.340 -1.193 0.000 0.264 322 L C 0.432 177.332 176.870 0.049 0.000 1.224 322 L CA -0.197 54.667 54.840 0.040 0.000 0.821 322 L CB 0.170 42.249 42.059 0.033 0.000 1.101 322 L HN 0.290 nan 8.230 nan 0.000 0.488 323 E N -0.702 119.524 120.200 0.043 0.000 2.248 323 E HA 0.153 3.787 4.350 -1.193 0.000 0.272 323 E C 0.422 177.052 176.600 0.050 0.000 1.008 323 E CA -0.121 56.307 56.400 0.047 0.000 0.856 323 E CB 1.458 31.181 29.700 0.039 0.000 1.120 323 E HN 0.690 nan 8.360 nan 0.000 0.397 324 T N -1.007 113.580 114.554 0.055 0.000 3.054 324 T HA 0.195 3.829 4.350 -1.193 0.000 0.259 324 T C 1.413 176.142 174.700 0.050 0.000 1.092 324 T CA 0.381 62.515 62.100 0.056 0.000 1.121 324 T CB 0.180 69.087 68.868 0.065 0.000 0.912 324 T HN 0.768 nan 8.240 nan 0.000 0.489 325 G N 0.463 109.291 108.800 0.046 0.000 2.279 325 G HA2 -0.257 2.987 3.960 -1.193 0.000 0.223 325 G HA3 -0.257 2.987 3.960 -1.193 0.000 0.223 325 G C 0.380 175.306 174.900 0.045 0.000 1.015 325 G CA -0.221 44.906 45.100 0.045 0.000 0.621 325 G HN 0.733 nan 8.290 nan 0.000 0.506 326 C N 2.015 121.342 119.300 0.045 0.000 2.595 326 C HA 0.787 4.531 4.460 -1.193 0.000 0.384 326 C C 1.161 176.174 174.990 0.038 0.000 1.289 326 C CA 0.696 59.739 59.018 0.041 0.000 2.372 326 C CB 0.754 28.516 27.740 0.037 0.000 2.593 326 C HN 1.032 nan 8.230 nan 0.000 0.639 327 T N -1.413 113.163 114.554 0.037 0.000 2.831 327 T HA 0.390 4.024 4.350 -1.193 0.000 0.287 327 T C 0.340 175.034 174.700 -0.010 0.000 1.070 327 T CA -0.498 61.621 62.100 0.033 0.000 1.010 327 T CB 0.994 69.908 68.868 0.076 0.000 1.264 327 T HN 0.503 nan 8.240 nan 0.000 0.532 328 E N -0.280 119.876 120.200 -0.074 0.000 2.333 328 E HA -0.060 3.574 4.350 -1.193 0.000 0.198 328 E C 1.455 177.869 176.600 -0.309 0.000 1.007 328 E CA 1.176 57.445 56.400 -0.218 0.000 0.845 328 E CB -0.174 29.331 29.700 -0.326 0.000 0.766 328 E HN 0.579 nan 8.360 nan 0.000 0.507 329 H N -1.561 117.515 119.070 0.010 0.000 2.740 329 H HA 0.382 4.222 4.556 -1.194 0.000 0.265 329 H C 0.075 175.408 175.328 0.007 0.000 0.978 329 H CA 0.130 56.182 56.048 0.008 0.000 1.198 329 H CB 1.147 30.913 29.762 0.008 0.000 1.467 329 H HN 0.086 nan 8.280 nan 0.000 0.511 330 I N 0.528 121.155 120.570 0.096 0.000 2.680 330 I HA 0.184 3.638 4.170 -1.193 0.000 0.291 330 I C -1.289 174.852 176.117 0.040 0.000 1.244 330 I CA -0.672 60.667 61.300 0.064 0.000 1.042 330 I CB 1.981 40.022 38.000 0.068 0.000 1.277 330 I HN 0.008 nan 8.210 nan 0.000 0.423 331 C N 7.711 127.029 119.300 0.029 0.000 2.295 331 C HA 0.563 4.307 4.460 -1.193 0.000 0.331 331 C C 0.742 175.753 174.990 0.034 0.000 1.280 331 C CA -0.491 58.542 59.018 0.026 0.000 1.746 331 C CB 0.621 28.368 27.740 0.011 0.000 2.328 331 C HN 0.868 nan 8.230 nan 0.000 0.521 332 M N 4.786 124.412 119.600 0.043 0.000 2.576 332 M HA 0.191 3.955 4.480 -1.193 0.000 0.322 332 M C 1.811 178.151 176.300 0.067 0.000 1.184 332 M CA 0.074 55.405 55.300 0.051 0.000 0.967 332 M CB 0.152 32.782 32.600 0.050 0.000 1.372 332 M HN 1.024 nan 8.290 nan 0.000 0.509 333 G N 1.127 109.967 108.800 0.067 0.000 2.485 333 G HA2 -0.212 3.032 3.960 -1.193 0.000 0.221 333 G HA3 -0.212 3.032 3.960 -1.193 0.000 0.221 333 G C 1.378 176.360 174.900 0.138 0.000 1.115 333 G CA 1.467 46.623 45.100 0.093 0.000 0.751 333 G HN 0.581 nan 8.290 nan 0.000 0.567 334 S N -0.324 115.449 115.700 0.121 0.000 2.557 334 S HA 0.375 4.129 4.470 -1.193 0.000 0.223 334 S C 0.558 175.244 174.600 0.143 0.000 0.969 334 S CA -0.673 57.617 58.200 0.148 0.000 0.927 334 S CB 0.157 63.420 63.200 0.106 0.000 0.806 334 S HN 0.010 nan 8.310 nan 0.000 0.489 335 I N 2.644 123.287 120.570 0.122 0.000 2.471 335 I HA 0.199 3.653 4.170 -1.193 0.000 0.286 335 I C 1.652 177.853 176.117 0.140 0.000 1.079 335 I CA -0.088 61.275 61.300 0.104 0.000 1.398 335 I CB -0.008 38.034 38.000 0.070 0.000 1.403 335 I HN 0.295 nan 8.210 nan 0.000 0.530 336 M N 5.613 125.296 119.600 0.137 0.000 2.175 336 M HA -0.055 3.709 4.480 -1.193 0.000 0.264 336 M C 0.415 176.732 176.300 0.029 0.000 1.063 336 M CA 1.759 57.161 55.300 0.169 0.000 1.119 336 M CB -0.018 32.669 32.600 0.144 0.000 1.377 336 M HN 0.398 nan 8.290 nan 0.000 0.415 337 L N 1.306 122.524 121.223 -0.009 0.000 2.488 337 L HA 0.337 3.961 4.340 -1.193 0.000 0.250 337 L C -2.080 174.798 176.870 0.015 0.000 1.280 337 L CA -1.390 53.425 54.840 -0.040 0.000 0.929 337 L CB 0.207 42.205 42.059 -0.103 0.000 1.200 337 L HN 0.069 nan 8.230 nan 0.000 0.495 351 K N 0.229 120.648 120.400 0.031 0.000 2.032 351 K HA -0.116 3.488 4.320 -1.193 0.000 0.209 351 K C 1.337 177.974 176.600 0.062 0.000 1.048 351 K CA 2.272 58.581 56.287 0.037 0.000 0.927 351 K CB -0.436 32.071 32.500 0.012 0.000 0.712 351 K HN 0.566 nan 8.250 nan 0.000 0.441 352 D N 0.747 121.178 120.400 0.053 0.000 2.178 352 D HA -0.120 3.804 4.640 -1.193 0.000 0.202 352 D C 1.957 178.306 176.300 0.082 0.000 0.974 352 D CA 1.074 55.115 54.000 0.069 0.000 0.841 352 D CB -0.116 40.712 40.800 0.045 0.000 0.953 352 D HN 0.282 nan 8.370 nan 0.000 0.478 353 Q N -0.454 119.384 119.800 0.064 0.000 2.187 353 Q HA -0.014 3.610 4.340 -1.193 0.000 0.199 353 Q C 1.899 177.943 176.000 0.073 0.000 0.957 353 Q CA 0.349 56.185 55.803 0.056 0.000 0.857 353 Q CB 0.044 28.805 28.738 0.039 0.000 0.929 353 Q HN 0.179 nan 8.270 nan 0.000 0.453 354 L N -0.126 121.158 121.223 0.100 0.000 2.109 354 L HA -0.072 3.551 4.340 -1.193 0.000 0.207 354 L C 1.878 178.850 176.870 0.170 0.000 1.086 354 L CA 1.414 56.335 54.840 0.135 0.000 0.760 354 L CB -0.481 41.671 42.059 0.155 0.000 0.910 354 L HN 0.105 nan 8.230 nan 0.000 0.437 355 F N 1.747 121.698 119.950 0.001 0.000 2.113 355 F HA 0.009 3.820 4.527 -1.194 0.000 0.297 355 F C -0.563 175.228 175.800 -0.015 0.000 1.103 355 F CA 0.729 58.709 58.000 -0.033 0.000 1.248 355 F CB -1.690 37.283 39.000 -0.045 0.000 0.999 355 F HN 0.152 nan 8.300 nan 0.000 0.475 356 P HA -0.174 nan 4.420 nan 0.000 0.217 356 P C 2.200 179.408 177.300 -0.155 0.000 1.150 356 P CA 1.622 64.587 63.100 -0.226 0.000 0.832 356 P CB -0.198 31.457 31.700 -0.076 0.000 0.787 357 L N -0.477 120.717 121.223 -0.049 0.000 2.046 357 L HA -0.164 3.460 4.340 -1.193 0.000 0.208 357 L C 2.776 179.686 176.870 0.066 0.000 1.077 357 L CA 1.735 56.590 54.840 0.025 0.000 0.747 357 L CB -1.263 40.831 42.059 0.058 0.000 0.896 357 L HN -0.053 nan 8.230 nan 0.000 0.432 358 A N 0.211 123.045 122.820 0.023 0.000 1.877 358 A HA -0.266 3.338 4.320 -1.193 0.000 0.216 358 A C 2.391 179.976 177.584 0.003 0.000 1.186 358 A CA 2.091 54.154 52.037 0.045 0.000 0.620 358 A CB -0.484 18.387 19.000 -0.216 0.000 0.822 358 A HN 0.364 nan 8.150 nan 0.000 0.443 359 K N -0.166 120.075 120.400 -0.265 0.000 2.026 359 K HA -0.210 3.394 4.320 -1.193 0.000 0.208 359 K C 2.099 178.658 176.600 -0.069 0.000 1.048 359 K CA 1.673 57.797 56.287 -0.270 0.000 0.929 359 K CB -0.239 31.922 32.500 -0.566 0.000 0.713 359 K HN 0.577 nan 8.250 nan 0.000 0.439 360 E N -0.133 120.045 120.200 -0.036 0.000 2.058 360 E HA -0.239 3.395 4.350 -1.193 0.000 0.194 360 E C 1.905 178.576 176.600 0.117 0.000 0.997 360 E CA 1.521 57.946 56.400 0.042 0.000 0.801 360 E CB -0.240 29.487 29.700 0.044 0.000 0.746 360 E HN 0.431 nan 8.360 nan 0.000 0.450 361 F N 1.183 121.157 119.950 0.040 0.000 2.146 361 F HA -0.106 3.705 4.527 -1.192 0.000 0.298 361 F C 2.025 177.893 175.800 0.114 0.000 1.096 361 F CA 1.189 59.244 58.000 0.091 0.000 1.275 361 F CB -0.245 38.825 39.000 0.116 0.000 1.008 361 F HN -0.024 nan 8.300 nan 0.000 0.480 362 L N 0.057 121.244 121.223 -0.059 0.000 2.141 362 L HA -0.182 3.442 4.340 -1.193 0.000 0.209 362 L C 2.082 178.949 176.870 -0.005 0.000 1.094 362 L CA 1.165 55.975 54.840 -0.050 0.000 0.763 362 L CB -0.816 41.356 42.059 0.188 0.000 0.908 362 L HN 0.077 nan 8.230 nan 0.000 0.437 363 D N -0.043 120.374 120.400 0.027 0.000 2.144 363 D HA -0.210 3.714 4.640 -1.193 0.000 0.199 363 D C 2.267 178.573 176.300 0.010 0.000 0.984 363 D CA 1.411 55.433 54.000 0.036 0.000 0.834 363 D CB -0.101 40.817 40.800 0.197 0.000 0.955 363 D HN 0.567 nan 8.370 nan 0.000 0.465 364 Q N -0.578 119.179 119.800 -0.072 0.000 2.137 364 Q HA -0.172 3.452 4.340 -1.193 0.000 0.198 364 Q C 2.196 178.001 176.000 -0.325 0.000 0.960 364 Q CA 0.745 56.485 55.803 -0.106 0.000 0.847 364 Q CB -0.707 28.017 28.738 -0.022 0.000 0.915 364 Q HN 0.303 nan 8.270 nan 0.000 0.448 365 Y N 0.936 120.788 120.300 -0.747 0.000 2.097 365 Y HA -0.285 3.550 4.550 -1.192 0.000 0.282 365 Y C 1.597 177.022 175.900 -0.790 0.000 1.152 365 Y CA 1.676 59.074 58.100 -1.170 0.000 1.136 365 Y CB -0.538 37.152 38.460 -1.283 0.000 0.975 365 Y HN 0.095 nan 8.280 nan 0.000 0.498 366 Y N -0.895 118.989 120.300 -0.693 0.000 2.373 366 Y HA -0.153 3.681 4.550 -1.193 0.000 0.293 366 Y C 3.006 178.633 175.900 -0.455 0.000 1.129 366 Y CA 1.568 59.252 58.100 -0.693 0.000 1.226 366 Y CB -0.474 37.473 38.460 -0.856 0.000 1.000 366 Y HN 0.237 nan 8.280 nan 0.000 0.549 367 S N -0.697 114.909 115.700 -0.156 0.000 2.406 367 S HA -0.162 3.592 4.470 -1.193 0.000 0.228 367 S C 2.323 176.823 174.600 -0.166 0.000 1.020 367 S CA 1.195 59.369 58.200 -0.043 0.000 0.965 367 S CB -0.574 62.635 63.200 0.016 0.000 0.798 367 S HN 0.560 nan 8.310 nan 0.000 0.488 368 S N 2.321 117.850 115.700 -0.285 0.000 2.382 368 S HA -0.071 3.683 4.470 -1.193 0.000 0.228 368 S C 1.710 176.166 174.600 -0.240 0.000 1.027 368 S CA 1.132 59.203 58.200 -0.215 0.000 0.991 368 S CB -1.012 62.084 63.200 -0.174 0.000 0.823 368 S HN 0.822 nan 8.310 nan 0.000 0.469 369 I N -2.096 118.218 120.570 -0.425 0.000 3.806 369 I HA 0.397 3.851 4.170 -1.193 0.000 0.321 369 I C -0.122 175.879 176.117 -0.193 0.000 1.315 369 I CA -0.525 60.578 61.300 -0.329 0.000 1.148 369 I CB -0.632 37.073 38.000 -0.493 0.000 1.028 369 I HN 0.037 nan 8.210 nan 0.000 0.415 370 K N 1.689 122.003 120.400 -0.142 0.000 3.150 370 K HA -0.182 3.422 4.320 -1.193 0.000 0.267 370 K C 0.274 176.863 176.600 -0.019 0.000 1.028 370 K CA 0.567 56.818 56.287 -0.060 0.000 0.753 370 K CB -1.474 31.000 32.500 -0.045 0.000 1.288 370 K HN 0.578 nan 8.250 nan 0.000 0.473 371 R N 0.082 120.581 120.500 -0.003 0.000 2.616 371 R HA 0.167 3.791 4.340 -1.193 0.000 0.427 371 R C -0.270 176.082 176.300 0.086 0.000 1.030 371 R CA -0.485 55.655 56.100 0.067 0.000 1.133 371 R CB 0.371 30.748 30.300 0.129 0.000 1.444 371 R HN 0.203 nan 8.270 nan 0.000 0.578 372 F N 1.195 121.102 119.950 -0.071 0.000 2.602 372 F HA 0.110 3.921 4.527 -1.194 0.000 0.385 372 F C 1.457 177.304 175.800 0.078 0.000 1.063 372 F CA 1.809 59.764 58.000 -0.076 0.000 1.233 372 F CB 0.659 39.606 39.000 -0.087 0.000 1.067 372 F HN 0.431 nan 8.300 nan 0.000 0.564 373 G N 3.522 112.259 108.800 -0.104 0.000 2.153 373 G HA2 -0.296 2.948 3.960 -1.193 0.000 0.252 373 G HA3 -0.296 2.948 3.960 -1.193 0.000 0.252 373 G C 0.260 175.141 174.900 -0.032 0.000 0.994 373 G CA 0.401 45.457 45.100 -0.073 0.000 0.698 373 G HN 1.132 nan 8.290 nan 0.000 0.521 374 S N -1.268 114.427 115.700 -0.010 0.000 2.655 374 S HA 0.590 4.344 4.470 -1.193 0.000 0.265 374 S C 1.371 175.922 174.600 -0.082 0.000 1.240 374 S CA 0.360 58.547 58.200 -0.022 0.000 0.986 374 S CB 1.772 64.983 63.200 0.018 0.000 0.985 374 S HN 0.326 nan 8.310 nan 0.000 0.562 375 K N 0.229 120.593 120.400 -0.060 0.000 2.025 375 K HA -0.046 3.558 4.320 -1.193 0.000 0.207 375 K C 2.401 178.940 176.600 -0.102 0.000 1.049 375 K CA 1.161 57.400 56.287 -0.080 0.000 0.933 375 K CB -0.917 31.556 32.500 -0.046 0.000 0.714 375 K HN 0.742 nan 8.250 nan 0.000 0.438 376 A N 0.922 123.707 122.820 -0.058 0.000 1.917 376 A HA -0.280 3.324 4.320 -1.193 0.000 0.219 376 A C 2.026 179.437 177.584 -0.289 0.000 1.182 376 A CA 1.985 53.995 52.037 -0.044 0.000 0.633 376 A CB -1.089 17.981 19.000 0.117 0.000 0.819 376 A HN 0.602 nan 8.150 nan 0.000 0.448 377 H N -1.235 117.410 119.070 -0.708 0.000 2.253 377 H HA -0.160 3.680 4.556 -1.194 0.000 0.296 377 H C 2.102 177.043 175.328 -0.645 0.000 1.074 377 H CA 1.784 57.092 56.048 -1.232 0.000 1.263 377 H CB -0.126 29.087 29.762 -0.916 0.000 1.363 377 H HN 0.346 nan 8.280 nan 0.000 0.489 378 M N 0.904 120.180 119.600 -0.539 0.000 2.149 378 M HA -0.161 3.603 4.480 -1.193 0.000 0.261 378 M C 1.717 177.851 176.300 -0.276 0.000 1.064 378 M CA 1.176 56.201 55.300 -0.458 0.000 1.102 378 M CB -0.854 31.557 32.600 -0.314 0.000 1.369 378 M HN 0.353 nan 8.290 nan 0.000 0.408 379 D N -0.216 120.061 120.400 -0.205 0.000 2.117 379 D HA -0.152 3.772 4.640 -1.193 0.000 0.197 379 D C 2.088 178.337 176.300 -0.085 0.000 0.987 379 D CA 1.179 55.109 54.000 -0.116 0.000 0.829 379 D CB -0.277 40.478 40.800 -0.074 0.000 0.961 379 D HN 0.310 nan 8.370 nan 0.000 0.460 380 R N 0.272 120.713 120.500 -0.100 0.000 2.092 380 R HA -0.058 3.566 4.340 -1.193 0.000 0.231 380 R C 2.073 178.365 176.300 -0.012 0.000 1.119 380 R CA 0.735 56.832 56.100 -0.005 0.000 0.970 380 R CB -0.638 29.721 30.300 0.099 0.000 0.864 380 R HN 0.045 nan 8.270 nan 0.000 0.440 381 L N 1.074 122.243 121.223 -0.089 0.000 2.046 381 L HA -0.093 3.531 4.340 -1.193 0.000 0.208 381 L C 2.214 179.096 176.870 0.020 0.000 1.077 381 L CA 2.097 56.918 54.840 -0.032 0.000 0.747 381 L CB -0.651 41.312 42.059 -0.160 0.000 0.896 381 L HN 0.325 nan 8.230 nan 0.000 0.432 382 E N -0.476 119.694 120.200 -0.050 0.000 2.077 382 E HA -0.265 3.369 4.350 -1.193 0.000 0.193 382 E C 2.170 178.733 176.600 -0.061 0.000 0.989 382 E CA 1.501 57.864 56.400 -0.061 0.000 0.800 382 E CB -0.133 29.523 29.700 -0.074 0.000 0.746 382 E HN 0.541 nan 8.360 nan 0.000 0.452 383 E N -0.631 119.549 120.200 -0.033 0.000 2.106 383 E HA -0.148 3.486 4.350 -1.193 0.000 0.192 383 E C 1.917 178.508 176.600 -0.014 0.000 0.984 383 E CA 1.304 57.696 56.400 -0.014 0.000 0.806 383 E CB 0.142 29.852 29.700 0.017 0.000 0.750 383 E HN 0.203 nan 8.360 nan 0.000 0.458 384 V N 1.951 121.856 119.914 -0.014 0.000 2.379 384 V HA -0.238 3.166 4.120 -1.193 0.000 0.245 384 V C 2.445 178.464 176.094 -0.124 0.000 1.044 384 V CA 1.807 64.067 62.300 -0.066 0.000 1.036 384 V CB -0.779 30.952 31.823 -0.154 0.000 0.664 384 V HN 0.434 nan 8.190 nan 0.000 0.453 385 N N 0.543 119.142 118.700 -0.169 0.000 2.094 385 N HA -0.250 3.774 4.740 -1.193 0.000 0.191 385 N C 1.913 177.214 175.510 -0.349 0.000 1.023 385 N CA 1.770 54.480 53.050 -0.566 0.000 0.857 385 N CB -0.024 38.055 38.487 -0.679 0.000 1.013 385 N HN 0.500 nan 8.380 nan 0.000 0.426 386 K N 0.627 120.911 120.400 -0.194 0.000 2.026 386 K HA -0.147 3.457 4.320 -1.193 0.000 0.208 386 K C 2.032 178.582 176.600 -0.083 0.000 1.048 386 K CA 1.204 57.415 56.287 -0.126 0.000 0.929 386 K CB -0.165 32.287 32.500 -0.080 0.000 0.713 386 K HN 0.304 nan 8.250 nan 0.000 0.439 387 E N 1.014 121.187 120.200 -0.045 0.000 2.110 387 E HA -0.179 3.455 4.350 -1.193 0.000 0.193 387 E C 1.938 178.545 176.600 0.011 0.000 0.988 387 E CA 0.938 57.344 56.400 0.010 0.000 0.804 387 E CB 0.020 29.765 29.700 0.075 0.000 0.745 387 E HN 0.233 nan 8.360 nan 0.000 0.458 388 I N 1.131 121.689 120.570 -0.021 0.000 2.179 388 I HA -0.228 3.226 4.170 -1.193 0.000 0.242 388 I C 2.410 178.496 176.117 -0.052 0.000 1.088 388 I CA 0.961 62.253 61.300 -0.013 0.000 1.357 388 I CB -0.238 37.733 38.000 -0.048 0.000 1.051 388 I HN 0.102 nan 8.210 nan 0.000 0.409 389 E N 0.150 120.283 120.200 -0.112 0.000 2.267 389 E HA -0.208 3.426 4.350 -1.193 0.000 0.197 389 E C 2.170 178.736 176.600 -0.057 0.000 0.998 389 E CA 1.507 57.846 56.400 -0.102 0.000 0.830 389 E CB -0.005 29.613 29.700 -0.137 0.000 0.751 389 E HN 0.445 nan 8.360 nan 0.000 0.491 390 S N -0.706 114.970 115.700 -0.040 0.000 2.620 390 S HA -0.043 3.711 4.470 -1.193 0.000 0.234 390 S C 2.036 176.631 174.600 -0.009 0.000 1.064 390 S CA 1.103 59.289 58.200 -0.023 0.000 0.920 390 S CB -0.040 63.148 63.200 -0.019 0.000 0.826 390 S HN 0.279 nan 8.310 nan 0.000 0.557 391 T N -0.610 113.946 114.554 0.003 0.000 3.051 391 T HA 0.182 3.816 4.350 -1.193 0.000 0.255 391 T C 1.323 176.029 174.700 0.010 0.000 1.085 391 T CA 1.360 63.467 62.100 0.010 0.000 1.109 391 T CB -0.180 68.702 68.868 0.024 0.000 0.921 391 T HN 1.388 nan 8.240 nan 0.000 0.488 392 S N -0.902 114.808 115.700 0.016 0.000 2.857 392 S HA -0.189 3.565 4.470 -1.193 0.000 0.268 392 S C 0.234 174.863 174.600 0.048 0.000 1.297 392 S CA 1.311 59.524 58.200 0.022 0.000 1.280 392 S CB -2.673 60.530 63.200 0.005 0.000 1.562 392 S HN 1.100 nan 8.310 nan 0.000 0.661 393 T N -0.128 114.468 114.554 0.069 0.000 2.654 393 T HA 0.761 4.395 4.350 -1.193 0.000 0.289 393 T C -1.230 173.603 174.700 0.222 0.000 1.062 393 T CA 0.008 62.172 62.100 0.107 0.000 1.041 393 T CB 1.501 70.364 68.868 -0.008 0.000 1.417 393 T HN 1.409 nan 8.240 nan 0.000 0.510 394 Y N -0.807 119.490 120.300 -0.005 0.000 2.705 394 Y HA 0.812 4.648 4.550 -1.191 0.000 0.332 394 Y C -1.547 174.361 175.900 0.013 0.000 1.221 394 Y CA -1.267 56.842 58.100 0.015 0.000 1.059 394 Y CB 1.038 39.526 38.460 0.046 0.000 1.298 394 Y HN 0.375 nan 8.280 nan 0.000 0.459 395 Q N 2.069 121.881 119.800 0.020 0.000 2.333 395 Q HA 0.476 4.100 4.340 -1.193 0.000 0.267 395 Q C -1.064 174.954 176.000 0.030 0.000 1.012 395 Q CA -0.761 55.007 55.803 -0.057 0.000 0.824 395 Q CB 2.913 31.662 28.738 0.018 0.000 1.290 395 Q HN 0.777 nan 8.270 nan 0.000 0.449 396 L N 2.194 123.396 121.223 -0.035 0.000 2.397 396 L HA 0.248 3.872 4.340 -1.193 0.000 0.271 396 L C 0.852 177.748 176.870 0.045 0.000 1.148 396 L CA -0.452 54.417 54.840 0.049 0.000 0.825 396 L CB 0.394 42.455 42.059 0.003 0.000 1.117 396 L HN 0.225 nan 8.230 nan 0.000 0.456 397 K N 1.638 122.069 120.400 0.052 0.000 2.276 397 K HA 0.012 3.616 4.320 -1.193 0.000 0.259 397 K C 0.412 177.000 176.600 -0.020 0.000 1.001 397 K CA -0.351 55.946 56.287 0.016 0.000 0.927 397 K CB 0.660 33.164 32.500 0.006 0.000 0.969 397 K HN 0.469 nan 8.250 nan 0.000 0.490 398 D N 0.817 121.205 120.400 -0.020 0.000 2.116 398 D HA -0.171 3.753 4.640 -1.193 0.000 0.193 398 D C 1.789 178.068 176.300 -0.035 0.000 0.998 398 D CA 2.231 56.211 54.000 -0.033 0.000 0.836 398 D CB -0.368 40.419 40.800 -0.022 0.000 0.951 398 D HN 0.753 nan 8.370 nan 0.000 0.449 399 T N -1.050 113.485 114.554 -0.032 0.000 2.759 399 T HA -0.175 3.459 4.350 -1.193 0.000 0.269 399 T C 1.771 176.420 174.700 -0.085 0.000 1.042 399 T CA 1.336 63.423 62.100 -0.021 0.000 1.140 399 T CB -0.393 68.482 68.868 0.011 0.000 0.864 399 T HN 0.249 nan 8.240 nan 0.000 0.455 400 E N 0.761 120.834 120.200 -0.212 0.000 2.107 400 E HA 0.065 3.699 4.350 -1.193 0.000 0.191 400 E C 2.119 178.789 176.600 0.116 0.000 0.982 400 E CA 0.814 57.116 56.400 -0.163 0.000 0.809 400 E CB -0.263 29.400 29.700 -0.062 0.000 0.756 400 E HN 0.351 nan 8.360 nan 0.000 0.459 401 L N 1.038 122.257 121.223 -0.006 0.000 2.056 401 L HA -0.132 3.492 4.340 -1.193 0.000 0.207 401 L C 2.035 178.871 176.870 -0.056 0.000 1.078 401 L CA 1.482 56.267 54.840 -0.091 0.000 0.749 401 L CB -0.128 41.833 42.059 -0.162 0.000 0.901 401 L HN 0.077 nan 8.230 nan 0.000 0.433 402 I N -1.644 118.925 120.570 -0.002 0.000 2.179 402 I HA -0.325 3.129 4.170 -1.193 0.000 0.242 402 I C 2.354 178.562 176.117 0.153 0.000 1.088 402 I CA 1.655 62.975 61.300 0.032 0.000 1.357 402 I CB -0.487 37.531 38.000 0.030 0.000 1.051 402 I HN 0.345 nan 8.210 nan 0.000 0.409 403 Y N 1.610 121.985 120.300 0.125 0.000 2.128 403 Y HA -0.232 3.602 4.550 -1.194 0.000 0.284 403 Y C 2.412 178.489 175.900 0.296 0.000 1.154 403 Y CA 1.801 60.056 58.100 0.257 0.000 1.149 403 Y CB -0.781 37.831 38.460 0.252 0.000 0.976 403 Y HN 0.098 nan 8.280 nan 0.000 0.505 404 G N -0.259 108.727 108.800 0.311 0.000 2.418 404 G HA2 -0.263 2.981 3.960 -1.193 0.000 0.217 404 G HA3 -0.263 2.981 3.960 -1.193 0.000 0.217 404 G C 1.808 176.673 174.900 -0.059 0.000 1.158 404 G CA 0.999 46.177 45.100 0.130 0.000 0.771 404 G HN 0.625 nan 8.290 nan 0.000 0.545 405 A N 0.813 123.589 122.820 -0.074 0.000 1.877 405 A HA -0.028 3.576 4.320 -1.193 0.000 0.216 405 A C 2.306 179.916 177.584 0.042 0.000 1.186 405 A CA 2.015 54.000 52.037 -0.086 0.000 0.620 405 A CB -0.376 18.580 19.000 -0.073 0.000 0.822 405 A HN 0.373 nan 8.150 nan 0.000 0.443 406 K N -1.582 118.892 120.400 0.123 0.000 2.097 406 K HA -0.139 3.465 4.320 -1.193 0.000 0.205 406 K C 1.926 178.609 176.600 0.138 0.000 1.050 406 K CA 1.612 58.052 56.287 0.255 0.000 0.938 406 K CB -0.252 32.425 32.500 0.296 0.000 0.718 406 K HN 0.653 nan 8.250 nan 0.000 0.442 407 H N -0.215 118.782 119.070 -0.122 0.000 2.470 407 H HA 0.065 3.905 4.556 -1.194 0.000 0.289 407 H C 1.850 177.042 175.328 -0.226 0.000 1.033 407 H CA 1.090 56.958 56.048 -0.300 0.000 1.331 407 H CB 0.024 29.492 29.762 -0.491 0.000 1.414 407 H HN 0.229 nan 8.280 nan 0.000 0.545 408 A N 0.414 123.143 122.820 -0.152 0.000 1.902 408 A HA -0.208 3.396 4.320 -1.193 0.000 0.217 408 A C 2.029 179.579 177.584 -0.056 0.000 1.181 408 A CA 1.491 53.311 52.037 -0.362 0.000 0.623 408 A CB -0.927 17.460 19.000 -1.020 0.000 0.818 408 A HN 0.604 nan 8.150 nan 0.000 0.443 409 W N 0.842 122.120 121.300 -0.037 0.000 2.379 409 W HA -0.103 3.843 4.660 -1.190 0.000 0.307 409 W C 2.335 178.818 176.519 -0.059 0.000 1.200 409 W CA 1.456 58.846 57.345 0.075 0.000 1.297 409 W CB -0.733 28.769 29.460 0.069 0.000 1.140 409 W HN 0.351 nan 8.180 nan 0.000 0.507 410 R N 0.257 120.677 120.500 -0.134 0.000 2.139 410 R HA -0.202 3.421 4.340 -1.193 0.000 0.243 410 R C 1.412 177.527 176.300 -0.307 0.000 1.145 410 R CA 1.836 57.613 56.100 -0.539 0.000 0.976 410 R CB -0.496 29.087 30.300 -1.195 0.000 0.866 410 R HN 0.112 nan 8.270 nan 0.000 0.449 411 N N -0.047 118.547 118.700 -0.176 0.000 2.336 411 N HA 0.044 4.068 4.740 -1.193 0.000 0.189 411 N C -0.510 174.963 175.510 -0.061 0.000 1.113 411 N CA 0.500 53.475 53.050 -0.125 0.000 0.858 411 N CB 0.711 39.135 38.487 -0.105 0.000 0.970 411 N HN 0.141 nan 8.380 nan 0.000 0.471 412 A N 1.043 123.880 122.820 0.028 0.000 2.545 412 A HA 0.169 3.773 4.320 -1.193 0.000 0.297 412 A C 1.399 178.991 177.584 0.013 0.000 1.340 412 A CA -0.196 51.874 52.037 0.054 0.000 1.016 412 A CB -0.205 18.897 19.000 0.170 0.000 1.122 412 A HN 0.270 nan 8.150 nan 0.000 0.537 413 S N 2.625 118.292 115.700 -0.056 0.000 2.474 413 S HA -0.121 3.633 4.470 -1.193 0.000 0.235 413 S C 1.460 176.037 174.600 -0.037 0.000 0.997 413 S CA 0.934 59.101 58.200 -0.056 0.000 0.949 413 S CB -0.168 62.961 63.200 -0.118 0.000 0.766 413 S HN 0.750 nan 8.310 nan 0.000 0.517 414 R N -0.394 120.058 120.500 -0.079 0.000 2.317 414 R HA 0.267 3.891 4.340 -1.193 0.000 0.208 414 R C 0.104 176.424 176.300 0.034 0.000 0.914 414 R CA -0.001 56.065 56.100 -0.058 0.000 1.060 414 R CB -0.047 30.053 30.300 -0.333 0.000 1.015 414 R HN 0.428 nan 8.270 nan 0.000 0.498 415 C N 0.510 119.826 119.300 0.026 0.000 2.265 415 C HA 0.222 3.966 4.460 -1.193 0.000 0.332 415 C C 1.911 176.885 174.990 -0.027 0.000 1.248 415 C CA -0.687 58.372 59.018 0.068 0.000 1.727 415 C CB 0.556 28.416 27.740 0.199 0.000 2.348 415 C HN 0.265 nan 8.230 nan 0.000 0.519 416 V N 5.923 125.770 119.914 -0.111 0.000 3.041 416 V HA 0.164 3.568 4.120 -1.193 0.000 0.260 416 V C 1.865 178.002 176.094 0.072 0.000 1.105 416 V CA 2.260 64.404 62.300 -0.259 0.000 1.125 416 V CB -0.154 31.537 31.823 -0.219 0.000 0.730 416 V HN 1.072 nan 8.190 nan 0.000 0.479 417 G N -0.740 108.131 108.800 0.119 0.000 3.314 417 G HA2 0.030 3.274 3.960 -1.193 0.000 0.238 417 G HA3 0.030 3.274 3.960 -1.193 0.000 0.238 417 G C 1.264 176.212 174.900 0.079 0.000 1.184 417 G CA -0.315 44.865 45.100 0.134 0.000 0.806 417 G HN 0.440 nan 8.290 nan 0.000 0.536 418 R N -0.240 120.241 120.500 -0.031 0.000 2.316 418 R HA 0.171 3.795 4.340 -1.193 0.000 0.202 418 R C 2.046 177.841 176.300 -0.843 0.000 1.029 418 R CA -0.004 55.792 56.100 -0.508 0.000 1.018 418 R CB -0.150 29.945 30.300 -0.341 0.000 0.888 418 R HN 0.436 nan 8.270 nan 0.000 0.471 419 I N 1.080 121.268 120.570 -0.636 0.000 2.502 419 I HA -0.295 3.159 4.170 -1.193 0.000 0.258 419 I C 1.279 177.215 176.117 -0.302 0.000 1.172 419 I CA 1.407 62.448 61.300 -0.431 0.000 1.430 419 I CB 0.172 38.134 38.000 -0.063 0.000 1.086 419 I HN 0.221 nan 8.210 nan 0.000 0.440 420 Q N 0.297 119.864 119.800 -0.388 0.000 2.360 420 Q HA -0.079 3.545 4.340 -1.193 0.000 0.202 420 Q C 1.588 177.098 176.000 -0.816 0.000 0.915 420 Q CA 0.325 55.902 55.803 -0.375 0.000 0.943 420 Q CB -0.131 28.564 28.738 -0.072 0.000 1.064 420 Q HN 0.792 nan 8.270 nan 0.000 0.511 421 W N 1.057 121.644 121.300 -1.188 0.000 2.331 421 W HA -0.179 3.764 4.660 -1.194 0.000 0.291 421 W C 1.277 177.457 176.519 -0.565 0.000 1.214 421 W CA 1.488 57.975 57.345 -1.431 0.000 1.228 421 W CB -1.179 27.628 29.460 -1.088 0.000 1.135 421 W HN 0.154 nan 8.180 nan 0.000 0.537 422 S N 0.685 115.491 115.700 -1.491 0.000 2.527 422 S HA 0.051 3.805 4.470 -1.193 0.000 0.222 422 S C 0.731 175.034 174.600 -0.494 0.000 0.985 422 S CA 0.114 57.568 58.200 -1.244 0.000 0.921 422 S CB -0.414 61.826 63.200 -1.600 0.000 0.772 422 S HN 0.250 nan 8.310 nan 0.000 0.529 423 K N 1.440 121.653 120.400 -0.311 0.000 2.360 423 K HA 0.472 4.076 4.320 -1.193 0.000 0.235 423 K C -1.412 175.260 176.600 0.121 0.000 1.077 423 K CA -0.380 55.862 56.287 -0.075 0.000 1.035 423 K CB 0.839 33.322 32.500 -0.030 0.000 1.623 423 K HN 0.212 nan 8.250 nan 0.000 0.462 424 L N 1.757 123.045 121.223 0.109 0.000 2.381 424 L HA 0.309 3.933 4.340 -1.193 0.000 0.274 424 L C -1.071 175.786 176.870 -0.023 0.000 0.988 424 L CA -0.578 54.358 54.840 0.160 0.000 0.824 424 L CB 1.872 44.098 42.059 0.279 0.000 1.263 424 L HN 0.287 nan 8.230 nan 0.000 0.410 425 Q N 3.340 123.073 119.800 -0.111 0.000 2.294 425 Q HA 0.518 4.142 4.340 -1.193 0.000 0.257 425 Q C -1.591 174.058 176.000 -0.585 0.000 0.955 425 Q CA -0.158 55.416 55.803 -0.381 0.000 0.936 425 Q CB 1.239 29.691 28.738 -0.478 0.000 1.188 425 Q HN 0.534 nan 8.270 nan 0.000 0.420 426 V N 6.023 125.610 119.914 -0.545 0.000 2.370 426 V HA 0.409 3.813 4.120 -1.193 0.000 0.279 426 V C -0.708 175.037 176.094 -0.581 0.000 1.029 426 V CA -0.534 61.499 62.300 -0.444 0.000 0.870 426 V CB 0.483 32.163 31.823 -0.237 0.000 0.984 426 V HN 0.642 nan 8.190 nan 0.000 0.451 427 F N 2.743 122.556 119.950 -0.228 0.000 2.361 427 F HA 0.357 4.172 4.527 -1.186 0.000 0.364 427 F C 0.499 176.123 175.800 -0.294 0.000 1.120 427 F CA -1.160 56.701 58.000 -0.231 0.000 1.102 427 F CB 0.988 39.860 39.000 -0.213 0.000 1.183 427 F HN 0.430 nan 8.300 nan 0.000 0.476 428 D N 3.353 123.704 120.400 -0.082 0.000 2.374 428 D HA 0.308 4.232 4.640 -1.193 0.000 0.240 428 D C 0.245 176.355 176.300 -0.318 0.000 1.229 428 D CA 0.146 54.025 54.000 -0.202 0.000 0.895 428 D CB 1.046 41.773 40.800 -0.121 0.000 1.046 428 D HN 0.602 nan 8.370 nan 0.000 0.498 429 A N 4.657 127.100 122.820 -0.629 0.000 2.708 429 A HA 0.156 3.760 4.320 -1.193 0.000 0.293 429 A C 1.632 178.909 177.584 -0.512 0.000 1.303 429 A CA -0.392 51.021 52.037 -1.040 0.000 0.949 429 A CB -0.033 17.792 19.000 -1.959 0.000 1.121 429 A HN 0.542 nan 8.150 nan 0.000 0.542 430 R N 0.512 120.842 120.500 -0.283 0.000 2.280 430 R HA -0.079 3.545 4.340 -1.193 0.000 0.207 430 R C 0.789 177.041 176.300 -0.079 0.000 1.043 430 R CA 1.171 57.176 56.100 -0.157 0.000 1.006 430 R CB 0.046 30.298 30.300 -0.080 0.000 0.885 430 R HN 0.673 nan 8.270 nan 0.000 0.467 431 D N -0.447 119.939 120.400 -0.022 0.000 2.340 431 D HA -0.070 3.854 4.640 -1.193 0.000 0.220 431 D C 0.338 176.725 176.300 0.146 0.000 1.039 431 D CA -0.170 53.872 54.000 0.070 0.000 0.866 431 D CB -0.527 40.333 40.800 0.101 0.000 0.913 431 D HN -0.003 nan 8.370 nan 0.000 0.523 432 C N 1.517 120.910 119.300 0.155 0.000 2.637 432 C HA 0.401 4.145 4.460 -1.193 0.000 0.418 432 C C 1.853 177.043 174.990 0.333 0.000 1.319 432 C CA 0.739 59.945 59.018 0.314 0.000 1.949 432 C CB -0.084 27.914 27.740 0.430 0.000 2.639 432 C HN 0.546 nan 8.230 nan 0.000 0.594 433 T N 0.434 115.206 114.554 0.363 0.000 2.986 433 T HA 0.276 3.910 4.350 -1.193 0.000 0.264 433 T C 0.298 175.167 174.700 0.281 0.000 0.964 433 T CA 0.555 62.877 62.100 0.369 0.000 0.895 433 T CB -0.108 68.899 68.868 0.231 0.000 1.163 433 T HN 0.883 nan 8.240 nan 0.000 0.517 434 T N -1.997 112.714 114.554 0.262 0.000 2.841 434 T HA 0.798 4.432 4.350 -1.193 0.000 0.296 434 T C 1.318 176.112 174.700 0.157 0.000 1.166 434 T CA -0.260 61.938 62.100 0.165 0.000 1.007 434 T CB 1.378 70.353 68.868 0.179 0.000 1.253 434 T HN 0.028 nan 8.240 nan 0.000 0.511 435 A N -0.146 122.752 122.820 0.129 0.000 1.969 435 A HA -0.004 3.600 4.320 -1.193 0.000 0.218 435 A C 1.946 179.536 177.584 0.010 0.000 1.169 435 A CA 1.664 53.766 52.037 0.108 0.000 0.635 435 A CB -1.384 17.739 19.000 0.204 0.000 0.810 435 A HN 0.989 nan 8.150 nan 0.000 0.445 436 H N -0.696 118.436 119.070 0.104 0.000 2.389 436 H HA -0.005 5.557 4.556 1.677 0.000 0.299 436 H C 2.376 177.714 175.328 0.017 0.000 1.081 436 H CA 1.571 57.622 56.048 0.005 0.000 1.345 436 H CB -0.242 29.605 29.762 0.142 0.000 1.393 436 H HN 0.481 nan 8.280 nan 0.000 0.520 437 G N 0.081 109.008 108.800 0.212 0.000 2.418 437 G HA2 -0.268 2.976 3.960 -1.193 0.000 0.217 437 G HA3 -0.268 2.976 3.960 -1.193 0.000 0.217 437 G C 1.611 176.683 174.900 0.288 0.000 1.158 437 G CA 1.035 46.265 45.100 0.217 0.000 0.771 437 G HN 0.285 nan 8.290 nan 0.000 0.545 438 M N -0.473 119.257 119.600 0.215 0.000 2.080 438 M HA 0.030 3.794 4.480 -1.193 0.000 0.260 438 M C 2.327 178.688 176.300 0.101 0.000 1.068 438 M CA 1.366 56.741 55.300 0.125 0.000 1.109 438 M CB -0.464 31.984 32.600 -0.253 0.000 1.342 438 M HN 0.296 nan 8.290 nan 0.000 0.405 439 F N 1.334 121.105 119.950 -0.298 0.000 2.126 439 F HA -0.304 3.574 4.527 -1.082 0.000 0.299 439 F C 2.132 177.822 175.800 -0.182 0.000 1.096 439 F CA 1.978 59.718 58.000 -0.433 0.000 1.255 439 F CB -0.256 38.080 39.000 -1.108 0.000 0.997 439 F HN 0.170 nan 8.300 nan 0.000 0.479 440 N N -0.306 118.213 118.700 -0.301 0.000 2.043 440 N HA -0.270 3.754 4.740 -1.193 0.000 0.193 440 N C 1.809 177.153 175.510 -0.276 0.000 1.037 440 N CA 2.160 54.999 53.050 -0.351 0.000 0.851 440 N CB -0.817 37.541 38.487 -0.216 0.000 1.027 440 N HN 0.487 nan 8.380 nan 0.000 0.422 441 Y N 0.229 120.490 120.300 -0.066 0.000 2.193 441 Y HA -0.126 3.705 4.550 -1.199 0.000 0.285 441 Y C 2.154 178.025 175.900 -0.048 0.000 1.166 441 Y CA 1.145 59.228 58.100 -0.029 0.000 1.181 441 Y CB -0.099 38.449 38.460 0.148 0.000 0.976 441 Y HN 0.146 nan 8.280 nan 0.000 0.520 442 I N -1.700 118.943 120.570 0.122 0.000 2.286 442 I HA -0.307 3.147 4.170 -1.193 0.000 0.245 442 I C 2.273 178.330 176.117 -0.100 0.000 1.104 442 I CA 0.682 62.003 61.300 0.035 0.000 1.397 442 I CB -0.434 37.587 38.000 0.034 0.000 1.072 442 I HN 0.283 nan 8.210 nan 0.000 0.417 443 C N 0.848 119.965 119.300 -0.303 0.000 2.413 443 C HA -0.155 3.589 4.460 -1.193 0.000 0.276 443 C C 2.626 177.520 174.990 -0.160 0.000 1.248 443 C CA 0.919 59.758 59.018 -0.298 0.000 1.742 443 C CB -1.445 25.992 27.740 -0.506 0.000 2.017 443 C HN 0.550 nan 8.230 nan 0.000 0.481 444 N N -0.086 118.504 118.700 -0.183 0.000 2.120 444 N HA -0.140 3.884 4.740 -1.193 0.000 0.188 444 N C 1.443 176.870 175.510 -0.139 0.000 1.024 444 N CA 1.534 54.471 53.050 -0.188 0.000 0.852 444 N CB -0.878 37.430 38.487 -0.298 0.000 1.003 444 N HN 0.764 nan 8.380 nan 0.000 0.424 445 H N 0.339 119.278 119.070 -0.220 0.000 2.290 445 H HA -0.048 3.792 4.556 -1.193 0.000 0.298 445 H C 1.862 177.228 175.328 0.064 0.000 1.087 445 H CA 1.779 57.783 56.048 -0.074 0.000 1.291 445 H CB 0.026 29.795 29.762 0.013 0.000 1.369 445 H HN -0.089 nan 8.280 nan 0.000 0.492 446 V N 1.000 121.059 119.914 0.242 0.000 2.287 446 V HA -0.291 3.113 4.120 -1.193 0.000 0.248 446 V C 2.517 178.693 176.094 0.137 0.000 1.053 446 V CA 2.356 64.753 62.300 0.161 0.000 1.027 446 V CB -0.571 31.270 31.823 0.030 0.000 0.646 446 V HN 0.442 nan 8.190 nan 0.000 0.447 447 K N -1.045 119.404 120.400 0.081 0.000 2.057 447 K HA -0.228 3.376 4.320 -1.193 0.000 0.206 447 K C 2.273 178.927 176.600 0.089 0.000 1.050 447 K CA 1.827 58.148 56.287 0.058 0.000 0.935 447 K CB -0.348 32.162 32.500 0.016 0.000 0.715 447 K HN 0.528 nan 8.250 nan 0.000 0.439 448 Y N 0.781 121.094 120.300 0.022 0.000 2.181 448 Y HA -0.208 3.625 4.550 -1.195 0.000 0.288 448 Y C 1.963 177.930 175.900 0.113 0.000 1.146 448 Y CA 1.788 59.930 58.100 0.070 0.000 1.164 448 Y CB -0.373 38.154 38.460 0.110 0.000 0.982 448 Y HN 0.160 nan 8.280 nan 0.000 0.515 449 A N -0.862 122.097 122.820 0.233 0.000 1.930 449 A HA -0.132 3.472 4.320 -1.193 0.000 0.217 449 A C 2.199 179.831 177.584 0.080 0.000 1.175 449 A CA 2.107 54.253 52.037 0.182 0.000 0.627 449 A CB -1.213 17.982 19.000 0.324 0.000 0.815 449 A HN 0.505 nan 8.150 nan 0.000 0.443 450 T N -0.313 114.289 114.554 0.079 0.000 2.770 450 T HA -0.080 3.554 4.350 -1.193 0.000 0.263 450 T C 1.073 175.774 174.700 0.001 0.000 1.039 450 T CA 1.235 63.372 62.100 0.062 0.000 1.142 450 T CB -0.371 68.536 68.868 0.064 0.000 0.868 450 T HN 0.646 nan 8.240 nan 0.000 0.435 451 N N 1.247 119.920 118.700 -0.045 0.000 2.727 451 N HA -0.233 3.791 4.740 -1.193 0.000 0.249 451 N C -0.321 175.158 175.510 -0.052 0.000 1.048 451 N CA 0.805 53.802 53.050 -0.088 0.000 0.714 451 N CB -1.627 36.762 38.487 -0.163 0.000 0.959 451 N HN 0.604 nan 8.380 nan 0.000 0.544 452 K N -2.618 117.766 120.400 -0.028 0.000 3.088 452 K HA -0.221 3.383 4.320 -1.193 0.000 0.273 452 K C 1.017 177.601 176.600 -0.028 0.000 1.111 452 K CA 1.041 57.313 56.287 -0.024 0.000 0.803 452 K CB -1.824 30.660 32.500 -0.027 0.000 1.226 452 K HN 1.025 nan 8.250 nan 0.000 0.485 453 G N 0.593 109.382 108.800 -0.018 0.000 2.218 453 G HA2 -0.317 2.927 3.960 -1.193 0.000 0.216 453 G HA3 -0.317 2.927 3.960 -1.193 0.000 0.216 453 G C -0.146 174.738 174.900 -0.027 0.000 0.994 453 G CA 0.133 45.223 45.100 -0.016 0.000 0.637 453 G HN 0.475 nan 8.290 nan 0.000 0.505 454 N N 1.341 120.013 118.700 -0.047 0.000 3.034 454 N HA 0.446 4.470 4.740 -1.193 0.000 0.265 454 N C 0.642 176.114 175.510 -0.064 0.000 1.166 454 N CA -0.498 52.505 53.050 -0.079 0.000 1.081 454 N CB -0.143 38.294 38.487 -0.083 0.000 1.378 454 N HN 0.337 nan 8.380 nan 0.000 0.520 455 L N 2.377 123.585 121.223 -0.025 0.000 2.490 455 L HA 0.155 3.779 4.340 -1.193 0.000 0.274 455 L C 0.554 177.527 176.870 0.172 0.000 1.201 455 L CA 0.311 55.217 54.840 0.109 0.000 0.869 455 L CB 0.324 42.548 42.059 0.276 0.000 1.123 455 L HN 0.360 nan 8.230 nan 0.000 0.484 456 R N 1.716 122.320 120.500 0.173 0.000 2.621 456 R HA 0.380 4.003 4.340 -1.193 0.000 0.292 456 R C -0.698 175.769 176.300 0.278 0.000 0.969 456 R CA -0.682 55.551 56.100 0.223 0.000 0.887 456 R CB 2.046 32.349 30.300 0.005 0.000 1.180 456 R HN 0.545 nan 8.270 nan 0.000 0.450 457 S N 1.295 117.169 115.700 0.289 0.000 2.562 457 S HA 0.481 4.235 4.470 -1.193 0.000 0.281 457 S C -0.310 174.352 174.600 0.103 0.000 1.333 457 S CA -0.184 58.087 58.200 0.118 0.000 1.052 457 S CB 1.165 64.400 63.200 0.058 0.000 0.884 457 S HN 0.691 nan 8.310 nan 0.000 0.506 458 A N 2.520 125.351 122.820 0.018 0.000 2.604 458 A HA 0.789 4.393 4.320 -1.193 0.000 0.295 458 A C -1.274 176.299 177.584 -0.018 0.000 1.067 458 A CA -0.641 51.336 52.037 -0.099 0.000 0.683 458 A CB 1.116 19.989 19.000 -0.211 0.000 1.281 458 A HN 0.799 nan 8.150 nan 0.000 0.407 459 I N 0.566 121.111 120.570 -0.043 0.000 2.686 459 I HA 0.682 4.136 4.170 -1.193 0.000 0.295 459 I C -0.969 175.220 176.117 0.121 0.000 1.114 459 I CA -0.115 61.283 61.300 0.164 0.000 1.038 459 I CB 2.403 40.466 38.000 0.105 0.000 1.238 459 I HN 0.594 nan 8.210 nan 0.000 0.420 460 T N 7.825 122.513 114.554 0.224 0.000 2.779 460 T HA 0.575 4.209 4.350 -1.193 0.000 0.280 460 T C -0.393 174.125 174.700 -0.302 0.000 0.987 460 T CA -0.236 61.852 62.100 -0.019 0.000 0.966 460 T CB 0.944 69.848 68.868 0.059 0.000 0.933 460 T HN 0.309 nan 8.240 nan 0.000 0.442 461 I N 4.134 124.417 120.570 -0.478 0.000 2.354 461 I HA 0.399 3.853 4.170 -1.193 0.000 0.286 461 I C -0.475 175.300 176.117 -0.571 0.000 1.007 461 I CA -0.680 60.355 61.300 -0.442 0.000 1.167 461 I CB 0.706 38.424 38.000 -0.470 0.000 1.320 461 I HN 0.478 nan 8.210 nan 0.000 0.458 462 F N 6.572 126.439 119.950 -0.138 0.000 2.368 462 F HA 0.424 4.240 4.527 -1.184 0.000 0.308 462 F C -1.846 173.817 175.800 -0.227 0.000 1.198 462 F CA -2.234 55.613 58.000 -0.255 0.000 1.130 462 F CB -0.273 38.608 39.000 -0.199 0.000 1.300 462 F HN 0.212 nan 8.300 nan 0.000 0.537 463 P HA -0.006 nan 4.420 nan 0.000 0.266 463 P C -1.039 176.208 177.300 -0.088 0.000 1.195 463 P CA -0.180 62.748 63.100 -0.285 0.000 0.768 463 P CB 0.249 31.585 31.700 -0.606 0.000 0.838 464 Q N 2.914 122.641 119.800 -0.121 0.000 2.394 464 Q HA 0.155 3.779 4.340 -1.193 0.000 0.248 464 Q C 0.155 176.034 176.000 -0.201 0.000 0.992 464 Q CA -0.579 54.962 55.803 -0.438 0.000 0.888 464 Q CB 0.796 28.995 28.738 -0.897 0.000 1.257 464 Q HN 0.323 nan 8.270 nan 0.000 0.462 465 R N 0.636 121.022 120.500 -0.189 0.000 2.698 465 R HA -0.028 3.596 4.340 -1.193 0.000 0.266 465 R C 0.210 176.459 176.300 -0.084 0.000 1.026 465 R CA 1.189 57.250 56.100 -0.066 0.000 1.102 465 R CB 0.490 30.748 30.300 -0.071 0.000 0.978 465 R HN 0.994 nan 8.270 nan 0.000 0.436 466 T N -0.847 113.685 114.554 -0.038 0.000 3.330 466 T HA 0.004 3.638 4.350 -1.193 0.000 0.185 466 T C 0.966 175.611 174.700 -0.092 0.000 0.874 466 T CA 0.214 62.265 62.100 -0.082 0.000 1.268 466 T CB -0.351 68.450 68.868 -0.112 0.000 1.866 466 T HN 0.715 nan 8.240 nan 0.000 0.395 467 D N 1.050 121.368 120.400 -0.136 0.000 2.339 467 D HA 0.251 4.175 4.640 -1.193 0.000 0.217 467 D C 1.655 177.941 176.300 -0.024 0.000 1.050 467 D CA 0.786 54.729 54.000 -0.096 0.000 0.856 467 D CB -0.551 40.158 40.800 -0.151 0.000 0.922 467 D HN 0.992 nan 8.370 nan 0.000 0.518 468 G N 0.833 109.638 108.800 0.008 0.000 2.179 468 G HA2 -0.357 2.887 3.960 -1.193 0.000 0.260 468 G HA3 -0.357 2.887 3.960 -1.193 0.000 0.260 468 G C 0.922 175.873 174.900 0.085 0.000 0.977 468 G CA 0.489 45.613 45.100 0.040 0.000 0.641 468 G HN 0.477 nan 8.290 nan 0.000 0.533 469 K N -0.620 119.877 120.400 0.162 0.000 2.358 469 K HA 0.274 3.878 4.320 -1.193 0.000 0.200 469 K C 0.667 177.457 176.600 0.317 0.000 1.030 469 K CA 0.142 56.567 56.287 0.230 0.000 1.097 469 K CB 0.359 33.003 32.500 0.239 0.000 0.862 469 K HN 0.436 nan 8.250 nan 0.000 0.534 470 H N 0.182 119.271 119.070 0.031 0.000 2.575 470 H HA 0.192 4.034 4.556 -1.191 0.000 0.256 470 H C -1.003 174.356 175.328 0.052 0.000 1.162 470 H CA -1.037 55.029 56.048 0.029 0.000 0.969 470 H CB 0.019 29.819 29.762 0.062 0.000 1.796 470 H HN 0.001 nan 8.280 nan 0.000 0.607 471 D N 0.433 120.918 120.400 0.141 0.000 2.424 471 D HA 0.012 3.936 4.640 -1.193 0.000 0.244 471 D C -0.062 176.284 176.300 0.077 0.000 1.134 471 D CA 0.329 54.417 54.000 0.146 0.000 0.881 471 D CB 0.404 41.255 40.800 0.085 0.000 1.191 471 D HN 0.069 nan 8.370 nan 0.000 0.445 472 F N 2.730 122.707 119.950 0.045 0.000 2.420 472 F HA 0.352 4.160 4.527 -1.198 0.000 0.352 472 F C 1.034 176.847 175.800 0.021 0.000 1.108 472 F CA -0.165 57.843 58.000 0.014 0.000 1.162 472 F CB 0.657 39.674 39.000 0.028 0.000 1.118 472 F HN -0.124 nan 8.300 nan 0.000 0.510 473 R N 2.038 122.615 120.500 0.127 0.000 2.651 473 R HA 0.523 4.147 4.340 -1.193 0.000 0.278 473 R C -1.597 174.805 176.300 0.171 0.000 1.010 473 R CA -0.980 55.204 56.100 0.140 0.000 0.896 473 R CB 2.080 32.448 30.300 0.112 0.000 1.211 473 R HN 0.342 nan 8.270 nan 0.000 0.456 474 V N 2.854 122.854 119.914 0.142 0.000 2.406 474 V HA 0.140 3.544 4.120 -1.193 0.000 0.272 474 V C 0.409 176.656 176.094 0.254 0.000 1.043 474 V CA -0.353 62.044 62.300 0.162 0.000 0.915 474 V CB 1.168 33.030 31.823 0.066 0.000 0.988 474 V HN 0.741 nan 8.190 nan 0.000 0.466 475 W N 2.205 123.537 121.300 0.052 0.000 2.518 475 W HA 0.063 4.023 4.660 -1.168 0.000 0.273 475 W C 1.068 177.576 176.519 -0.019 0.000 1.247 475 W CA -0.390 57.056 57.345 0.168 0.000 1.288 475 W CB -0.608 29.118 29.460 0.444 0.000 1.107 475 W HN 0.526 nan 8.180 nan 0.000 0.586 476 N N 0.107 118.796 118.700 -0.018 0.000 2.441 476 N HA -0.019 4.005 4.740 -1.193 0.000 0.251 476 N C 1.346 176.671 175.510 -0.307 0.000 1.242 476 N CA 0.977 53.714 53.050 -0.523 0.000 0.898 476 N CB 0.632 38.926 38.487 -0.322 0.000 1.100 476 N HN -0.092 nan 8.380 nan 0.000 0.443 477 S N 0.536 116.036 115.700 -0.334 0.000 2.414 477 S HA -0.019 3.735 4.470 -1.193 0.000 0.227 477 S C 0.294 174.788 174.600 -0.178 0.000 1.022 477 S CA 0.590 58.682 58.200 -0.179 0.000 0.958 477 S CB 0.064 63.206 63.200 -0.097 0.000 0.797 477 S HN 0.643 nan 8.310 nan 0.000 0.493 478 Q N -0.571 119.107 119.800 -0.203 0.000 2.421 478 Q HA 0.514 4.138 4.340 -1.193 0.000 0.280 478 Q C 0.241 176.099 176.000 -0.237 0.000 1.085 478 Q CA -0.548 55.130 55.803 -0.208 0.000 0.807 478 Q CB 2.017 30.673 28.738 -0.137 0.000 1.405 478 Q HN 0.095 nan 8.270 nan 0.000 0.419 479 L N 0.626 121.705 121.223 -0.240 0.000 2.079 479 L HA -0.032 3.592 4.340 -1.193 0.000 0.210 479 L C 0.538 177.256 176.870 -0.253 0.000 1.081 479 L CA 1.388 56.101 54.840 -0.211 0.000 0.752 479 L CB -0.050 41.880 42.059 -0.214 0.000 0.896 479 L HN 0.496 nan 8.230 nan 0.000 0.433 480 I N -0.288 120.049 120.570 -0.389 0.000 2.418 480 I HA 0.370 3.824 4.170 -1.193 0.000 0.287 480 I C -0.296 175.230 176.117 -0.985 0.000 1.008 480 I CA -0.370 60.542 61.300 -0.646 0.000 1.104 480 I CB 1.623 39.175 38.000 -0.747 0.000 1.264 480 I HN 0.071 nan 8.210 nan 0.000 0.438 481 R N 4.196 124.235 120.500 -0.769 0.000 2.716 481 R HA 0.474 4.098 4.340 -1.193 0.000 0.271 481 R C -1.746 174.303 176.300 -0.418 0.000 1.028 481 R CA -1.019 54.724 56.100 -0.595 0.000 0.883 481 R CB 2.570 32.746 30.300 -0.206 0.000 1.250 481 R HN 0.402 nan 8.270 nan 0.000 0.465 482 Y N 0.245 120.570 120.300 0.041 0.000 2.334 482 Y HA 0.463 4.297 4.550 -1.193 0.000 0.328 482 Y C 0.852 176.820 175.900 0.112 0.000 1.130 482 Y CA -0.770 57.413 58.100 0.139 0.000 1.163 482 Y CB 1.563 40.203 38.460 0.299 0.000 1.207 482 Y HN 0.630 nan 8.280 nan 0.000 0.471 483 A N 1.705 124.682 122.820 0.262 0.000 2.466 483 A HA 0.524 4.128 4.320 -1.193 0.000 0.238 483 A C 0.454 177.938 177.584 -0.167 0.000 1.074 483 A CA 0.341 52.369 52.037 -0.014 0.000 0.774 483 A CB -0.246 18.734 19.000 -0.034 0.000 1.015 483 A HN 0.900 nan 8.150 nan 0.000 0.498 484 G N 0.124 108.706 108.800 -0.363 0.000 2.666 484 G HA2 0.580 3.824 3.960 -1.193 0.000 0.303 484 G HA3 0.580 3.824 3.960 -1.193 0.000 0.303 484 G C -1.311 173.342 174.900 -0.412 0.000 1.412 484 G CA -0.299 44.627 45.100 -0.289 0.000 0.979 484 G HN 0.541 nan 8.290 nan 0.000 0.507 485 Y N 1.166 121.488 120.300 0.038 0.000 2.376 485 Y HA 0.452 4.285 4.550 -1.196 0.000 0.340 485 Y C 0.647 176.549 175.900 0.003 0.000 0.965 485 Y CA -1.135 56.982 58.100 0.027 0.000 1.078 485 Y CB 2.068 40.545 38.460 0.028 0.000 1.193 485 Y HN 0.222 nan 8.280 nan 0.000 0.452 486 K N 3.305 123.788 120.400 0.139 0.000 2.298 486 K HA 0.244 3.848 4.320 -1.193 0.000 0.280 486 K C -0.578 176.064 176.600 0.071 0.000 1.032 486 K CA -0.317 56.016 56.287 0.077 0.000 0.958 486 K CB 0.864 33.392 32.500 0.046 0.000 0.978 486 K HN 0.745 nan 8.250 nan 0.000 0.472 487 Q N 1.910 121.735 119.800 0.043 0.000 2.348 487 Q HA 0.195 3.819 4.340 -1.193 0.000 0.271 487 Q C -1.784 174.221 176.000 0.008 0.000 1.067 487 Q CA -2.075 53.741 55.803 0.022 0.000 0.839 487 Q CB 1.642 30.389 28.738 0.015 0.000 1.354 487 Q HN 0.261 nan 8.270 nan 0.000 0.447 488 P HA -0.227 nan 4.420 nan 0.000 0.216 488 P C 0.562 177.859 177.300 -0.004 0.000 1.154 488 P CA 1.382 64.479 63.100 -0.005 0.000 0.865 488 P CB 0.259 31.951 31.700 -0.013 0.000 0.789 489 D N -1.671 118.726 120.400 -0.005 0.000 2.220 489 D HA -0.165 3.759 4.640 -1.193 0.000 0.198 489 D C 1.677 177.977 176.300 -0.001 0.000 1.001 489 D CA 2.131 56.128 54.000 -0.004 0.000 0.875 489 D CB -0.723 40.074 40.800 -0.005 0.000 0.921 489 D HN 0.243 nan 8.370 nan 0.000 0.454 490 G N -1.361 107.440 108.800 0.003 0.000 2.284 490 G HA2 -0.299 2.945 3.960 -1.193 0.000 0.230 490 G HA3 -0.299 2.945 3.960 -1.193 0.000 0.230 490 G C 0.629 175.534 174.900 0.007 0.000 1.021 490 G CA 0.795 45.899 45.100 0.005 0.000 0.619 490 G HN 0.702 nan 8.290 nan 0.000 0.510 491 S N -0.260 115.444 115.700 0.006 0.000 2.625 491 S HA 0.679 4.433 4.470 -1.193 0.000 0.262 491 S C 0.095 174.701 174.600 0.010 0.000 1.223 491 S CA 0.705 58.909 58.200 0.006 0.000 0.993 491 S CB 1.409 64.611 63.200 0.003 0.000 1.051 491 S HN 0.696 nan 8.310 nan 0.000 0.562 492 T N 1.111 115.666 114.554 0.002 0.000 2.824 492 T HA 0.536 4.170 4.350 -1.193 0.000 0.282 492 T C -1.018 173.683 174.700 0.001 0.000 0.993 492 T CA -0.494 61.608 62.100 0.004 0.000 0.967 492 T CB 1.152 70.007 68.868 -0.022 0.000 0.960 492 T HN 0.540 nan 8.240 nan 0.000 0.441 493 L N 3.696 124.952 121.223 0.054 0.000 2.282 493 L HA 0.720 4.344 4.340 -1.193 0.000 0.288 493 L C 0.725 177.644 176.870 0.081 0.000 1.033 493 L CA 1.120 56.003 54.840 0.073 0.000 0.807 493 L CB -0.040 42.090 42.059 0.117 0.000 1.209 493 L HN 0.973 nan 8.230 nan 0.000 0.423 494 G N 4.006 112.784 108.800 -0.037 0.000 2.512 494 G HA2 -0.249 2.995 3.960 -1.193 0.000 0.240 494 G HA3 -0.249 2.995 3.960 -1.193 0.000 0.240 494 G C -0.628 173.997 174.900 -0.457 0.000 1.246 494 G CA 0.030 45.069 45.100 -0.102 0.000 0.919 494 G HN 0.817 nan 8.290 nan 0.000 0.577 495 D N 1.879 122.131 120.400 -0.248 0.000 2.365 495 D HA 0.510 4.434 4.640 -1.193 0.000 0.237 495 D C -0.917 175.305 176.300 -0.130 0.000 1.190 495 D CA -1.829 52.001 54.000 -0.283 0.000 0.867 495 D CB 1.279 42.229 40.800 0.251 0.000 1.050 495 D HN 0.009 nan 8.370 nan 0.000 0.491 496 P HA -0.054 nan 4.420 nan 0.000 0.225 496 P C 0.911 178.215 177.300 0.007 0.000 1.148 496 P CA 0.617 63.682 63.100 -0.058 0.000 0.779 496 P CB 0.237 31.904 31.700 -0.054 0.000 0.780 497 A N -0.230 122.618 122.820 0.047 0.000 2.070 497 A HA -0.127 3.477 4.320 -1.193 0.000 0.220 497 A C 1.644 179.287 177.584 0.098 0.000 1.159 497 A CA 1.373 53.464 52.037 0.090 0.000 0.656 497 A CB -0.835 18.246 19.000 0.135 0.000 0.800 497 A HN 0.153 nan 8.150 nan 0.000 0.453 498 N N -0.596 118.153 118.700 0.082 0.000 2.234 498 N HA 0.158 4.182 4.740 -1.193 0.000 0.227 498 N C 1.057 176.592 175.510 0.042 0.000 1.151 498 N CA 0.162 53.271 53.050 0.098 0.000 0.865 498 N CB 0.735 39.291 38.487 0.115 0.000 1.066 498 N HN 0.185 nan 8.380 nan 0.000 0.515 499 V N 1.032 120.949 119.914 0.005 0.000 2.255 499 V HA -0.270 3.134 4.120 -1.193 0.000 0.247 499 V C 2.589 178.659 176.094 -0.041 0.000 1.051 499 V CA 1.860 64.140 62.300 -0.033 0.000 1.018 499 V CB -0.371 31.444 31.823 -0.013 0.000 0.641 499 V HN 0.367 nan 8.190 nan 0.000 0.445 500 Q N -1.099 118.683 119.800 -0.029 0.000 2.084 500 Q HA -0.237 3.387 4.340 -1.193 0.000 0.202 500 Q C 2.160 178.031 176.000 -0.215 0.000 0.978 500 Q CA 2.120 57.854 55.803 -0.114 0.000 0.844 500 Q CB -0.200 28.476 28.738 -0.102 0.000 0.898 500 Q HN 0.618 nan 8.270 nan 0.000 0.426 501 F N 0.869 120.655 119.950 -0.274 0.000 2.134 501 F HA -0.183 3.624 4.527 -1.201 0.000 0.299 501 F C 2.137 177.826 175.800 -0.185 0.000 1.097 501 F CA 1.917 59.746 58.000 -0.285 0.000 1.264 501 F CB -0.532 38.406 39.000 -0.105 0.000 1.001 501 F HN 0.023 nan 8.300 nan 0.000 0.479 502 T N 0.113 114.587 114.554 -0.134 0.000 2.699 502 T HA -0.239 3.395 4.350 -1.193 0.000 0.268 502 T C 1.728 176.346 174.700 -0.136 0.000 1.036 502 T CA 1.932 63.929 62.100 -0.173 0.000 1.147 502 T CB -0.399 68.362 68.868 -0.178 0.000 0.862 502 T HN 0.427 nan 8.240 nan 0.000 0.446 503 E N 0.451 120.569 120.200 -0.136 0.000 2.106 503 E HA -0.015 3.619 4.350 -1.193 0.000 0.192 503 E C 2.216 178.727 176.600 -0.148 0.000 0.984 503 E CA 0.757 57.102 56.400 -0.092 0.000 0.806 503 E CB -0.259 29.391 29.700 -0.083 0.000 0.750 503 E HN 0.491 nan 8.360 nan 0.000 0.458 504 I N 0.853 121.261 120.570 -0.269 0.000 2.226 504 I HA -0.319 3.135 4.170 -1.193 0.000 0.245 504 I C 2.453 178.402 176.117 -0.280 0.000 1.100 504 I CA 0.676 61.815 61.300 -0.268 0.000 1.374 504 I CB -0.346 37.463 38.000 -0.319 0.000 1.057 504 I HN 0.243 nan 8.210 nan 0.000 0.413 505 C N 0.917 119.962 119.300 -0.426 0.000 2.413 505 C HA -0.176 3.567 4.460 -1.193 0.000 0.277 505 C C 2.735 177.720 174.990 -0.009 0.000 1.228 505 C CA 0.740 59.573 59.018 -0.308 0.000 1.731 505 C CB -0.891 26.570 27.740 -0.466 0.000 2.042 505 C HN 0.433 nan 8.230 nan 0.000 0.468 506 I N 0.393 121.009 120.570 0.077 0.000 2.226 506 I HA -0.280 3.174 4.170 -1.193 0.000 0.245 506 I C 2.745 178.865 176.117 0.005 0.000 1.100 506 I CA 1.732 63.097 61.300 0.110 0.000 1.374 506 I CB -0.694 37.374 38.000 0.114 0.000 1.057 506 I HN 0.461 nan 8.210 nan 0.000 0.413 507 Q N 0.464 120.235 119.800 -0.049 0.000 2.135 507 Q HA -0.250 3.374 4.340 -1.193 0.000 0.204 507 Q C 2.141 178.082 176.000 -0.098 0.000 0.981 507 Q CA 1.396 57.148 55.803 -0.084 0.000 0.856 507 Q CB 0.113 28.785 28.738 -0.110 0.000 0.902 507 Q HN 0.436 nan 8.270 nan 0.000 0.425 508 Q N -1.578 118.163 119.800 -0.099 0.000 2.432 508 Q HA 0.063 3.687 4.340 -1.193 0.000 0.205 508 Q C 0.959 176.913 176.000 -0.076 0.000 0.945 508 Q CA 1.119 56.858 55.803 -0.107 0.000 0.924 508 Q CB 1.204 29.857 28.738 -0.142 0.000 1.016 508 Q HN 0.598 nan 8.270 nan 0.000 0.503 509 G N -0.610 108.172 108.800 -0.029 0.000 2.273 509 G HA2 -0.179 3.065 3.960 -1.193 0.000 0.162 509 G HA3 -0.179 3.065 3.960 -1.193 0.000 0.162 509 G C -0.572 174.358 174.900 0.050 0.000 1.006 509 G CA -0.374 44.718 45.100 -0.013 0.000 0.704 509 G HN 0.226 nan 8.290 nan 0.000 0.487 510 W N 3.152 124.385 121.300 -0.111 0.000 2.223 510 W HA 0.557 4.496 4.660 -1.202 0.000 0.334 510 W C 0.403 176.893 176.519 -0.047 0.000 1.334 510 W CA -0.115 57.179 57.345 -0.083 0.000 1.246 510 W CB 0.566 29.976 29.460 -0.084 0.000 1.184 510 W HN 0.009 nan 8.180 nan 0.000 0.563 511 K N 6.115 126.233 120.400 -0.470 0.000 2.250 511 K HA 0.459 4.063 4.320 -1.193 0.000 0.280 511 K C -0.013 175.945 176.600 -1.069 0.000 1.098 511 K CA -0.451 55.512 56.287 -0.541 0.000 0.916 511 K CB 0.465 32.770 32.500 -0.324 0.000 1.209 511 K HN 0.485 nan 8.250 nan 0.000 0.461 512 A N 4.419 126.661 122.820 -0.963 0.000 2.454 512 A HA 0.216 3.820 4.320 -1.193 0.000 0.260 512 A C -1.552 175.696 177.584 -0.561 0.000 1.106 512 A CA -1.106 50.300 52.037 -1.051 0.000 0.780 512 A CB 0.089 18.916 19.000 -0.289 0.000 1.044 512 A HN 0.494 nan 8.150 nan 0.000 0.498 513 P HA -0.026 nan 4.420 nan 0.000 0.233 513 P C -0.047 177.121 177.300 -0.222 0.000 1.167 513 P CA 0.121 63.094 63.100 -0.212 0.000 0.770 513 P CB 0.046 31.707 31.700 -0.064 0.000 0.837 514 R N -1.039 119.245 120.500 -0.361 0.000 3.264 514 R HA -0.107 3.517 4.340 -1.193 0.000 0.251 514 R C 0.634 176.750 176.300 -0.307 0.000 0.971 514 R CA 0.351 56.006 56.100 -0.741 0.000 0.658 514 R CB -2.350 27.531 30.300 -0.698 0.000 1.095 514 R HN 0.358 nan 8.270 nan 0.000 0.443 515 G N -0.739 108.051 108.800 -0.017 0.000 2.932 515 G HA2 0.416 3.660 3.960 -1.193 0.000 0.283 515 G HA3 0.416 3.660 3.960 -1.193 0.000 0.283 515 G C 0.235 175.227 174.900 0.154 0.000 1.336 515 G CA -0.600 44.542 45.100 0.070 0.000 1.056 515 G HN 0.206 nan 8.290 nan 0.000 0.522 516 R N -1.489 119.035 120.500 0.039 0.000 2.153 516 R HA 0.166 3.790 4.340 -1.193 0.000 0.218 516 R C -0.045 175.987 176.300 -0.447 0.000 1.072 516 R CA 0.770 56.758 56.100 -0.185 0.000 0.990 516 R CB -0.079 30.035 30.300 -0.310 0.000 0.889 516 R HN 0.360 nan 8.270 nan 0.000 0.452 517 F N 1.089 121.064 119.950 0.041 0.000 2.564 517 F HA 0.279 4.089 4.527 -1.196 0.000 0.329 517 F C -1.110 174.742 175.800 0.086 0.000 1.458 517 F CA -1.094 56.727 58.000 -0.299 0.000 1.117 517 F CB 0.999 39.586 39.000 -0.688 0.000 1.383 517 F HN -0.226 nan 8.300 nan 0.000 0.571 518 D N 1.670 122.341 120.400 0.451 0.000 2.313 518 D HA 0.208 4.132 4.640 -1.193 0.000 0.239 518 D C 0.118 176.744 176.300 0.544 0.000 1.142 518 D CA -0.003 54.301 54.000 0.506 0.000 0.847 518 D CB 2.123 43.266 40.800 0.572 0.000 1.082 518 D HN -0.036 nan 8.370 nan 0.000 0.480 519 V N 3.820 124.001 119.914 0.445 0.000 2.493 519 V HA -0.050 3.354 4.120 -1.193 0.000 0.292 519 V C 1.058 177.224 176.094 0.120 0.000 1.016 519 V CA -0.134 62.292 62.300 0.210 0.000 1.097 519 V CB -0.008 31.884 31.823 0.116 0.000 0.947 519 V HN 0.367 nan 8.190 nan 0.000 0.479 520 L N 8.613 129.801 121.223 -0.058 0.000 2.467 520 L HA 0.263 3.887 4.340 -1.193 0.000 0.270 520 L C -1.585 175.111 176.870 -0.291 0.000 1.205 520 L CA -1.264 53.401 54.840 -0.292 0.000 0.828 520 L CB 0.574 42.546 42.059 -0.146 0.000 1.101 520 L HN 0.489 nan 8.230 nan 0.000 0.479 521 P HA 0.153 nan 4.420 nan 0.000 0.274 521 P C -0.944 176.289 177.300 -0.113 0.000 1.256 521 P CA -0.418 62.491 63.100 -0.319 0.000 0.795 521 P CB 0.749 32.109 31.700 -0.566 0.000 1.038 522 L N 0.564 121.796 121.223 0.016 0.000 2.334 522 L HA 0.405 4.029 4.340 -1.193 0.000 0.277 522 L C 0.491 177.434 176.870 0.121 0.000 1.075 522 L CA -0.650 54.261 54.840 0.119 0.000 0.804 522 L CB 0.606 42.781 42.059 0.194 0.000 1.174 522 L HN 0.234 nan 8.230 nan 0.000 0.438 523 L N 4.987 126.319 121.223 0.181 0.000 2.353 523 L HA 0.501 4.125 4.340 -1.193 0.000 0.270 523 L C -1.024 175.851 176.870 0.008 0.000 1.003 523 L CA -0.324 54.543 54.840 0.044 0.000 0.862 523 L CB 1.034 43.144 42.059 0.085 0.000 1.221 523 L HN 0.505 nan 8.230 nan 0.000 0.430 524 L N 4.246 125.456 121.223 -0.021 0.000 2.322 524 L HA 0.512 4.136 4.340 -1.193 0.000 0.281 524 L C -0.413 176.379 176.870 -0.129 0.000 1.014 524 L CA -0.446 54.392 54.840 -0.004 0.000 0.815 524 L CB 2.031 44.143 42.059 0.088 0.000 1.247 524 L HN 0.544 nan 8.230 nan 0.000 0.421 525 Q N 2.788 122.515 119.800 -0.122 0.000 2.341 525 Q HA 0.701 4.325 4.340 -1.193 0.000 0.268 525 Q C -1.387 174.456 176.000 -0.262 0.000 1.013 525 Q CA -0.589 55.100 55.803 -0.191 0.000 0.798 525 Q CB 2.107 30.805 28.738 -0.067 0.000 1.253 525 Q HN 0.773 nan 8.270 nan 0.000 0.457 526 A N 4.159 126.755 122.820 -0.374 0.000 2.330 526 A HA 0.374 3.978 4.320 -1.193 0.000 0.327 526 A C 0.209 177.301 177.584 -0.819 0.000 1.155 526 A CA -0.374 51.199 52.037 -0.773 0.000 0.803 526 A CB 0.683 19.447 19.000 -0.394 0.000 1.208 526 A HN 1.121 nan 8.150 nan 0.000 0.477 527 N N 0.870 118.745 118.700 -1.375 0.000 2.708 527 N HA -0.263 3.761 4.740 -1.193 0.000 0.249 527 N C 1.015 176.321 175.510 -0.339 0.000 1.097 527 N CA 1.394 54.079 53.050 -0.608 0.000 0.710 527 N CB -0.632 37.668 38.487 -0.312 0.000 1.032 527 N HN 2.167 nan 8.380 nan 0.000 0.551 528 G N -1.342 107.289 108.800 -0.281 0.000 2.179 528 G HA2 -0.317 2.927 3.960 -1.193 0.000 0.260 528 G HA3 -0.317 2.927 3.960 -1.193 0.000 0.260 528 G C 0.199 175.062 174.900 -0.061 0.000 0.977 528 G CA 0.488 45.515 45.100 -0.123 0.000 0.641 528 G HN 0.569 nan 8.290 nan 0.000 0.533 529 N N 1.365 119.974 118.700 -0.152 0.000 2.354 529 N HA 0.259 4.283 4.740 -1.193 0.000 0.246 529 N C -0.081 175.362 175.510 -0.112 0.000 1.285 529 N CA -0.109 52.892 53.050 -0.080 0.000 0.925 529 N CB 0.293 38.718 38.487 -0.102 0.000 1.174 529 N HN 0.206 nan 8.380 nan 0.000 0.478 530 D N 1.244 121.644 120.400 0.000 0.000 2.443 530 D HA 0.121 4.045 4.640 -1.193 0.000 0.239 530 D C -1.801 174.362 176.300 -0.228 0.000 1.136 530 D CA -0.398 53.578 54.000 -0.040 0.000 0.879 530 D CB 0.182 41.096 40.800 0.190 0.000 1.195 530 D HN 0.288 nan 8.370 nan 0.000 0.443 531 P HA 0.215 nan 4.420 nan 0.000 0.276 531 P C -0.716 176.373 177.300 -0.352 0.000 1.244 531 P CA -0.377 62.410 63.100 -0.522 0.000 0.801 531 P CB 1.272 32.291 31.700 -1.134 0.000 1.006 532 E N 0.434 120.457 120.200 -0.295 0.000 2.288 532 E HA 0.451 4.085 4.350 -1.193 0.000 0.268 532 E C -0.525 175.741 176.600 -0.556 0.000 0.885 532 E CA -0.952 55.212 56.400 -0.393 0.000 0.767 532 E CB 1.680 31.136 29.700 -0.407 0.000 1.220 532 E HN 0.332 nan 8.360 nan 0.000 0.427 533 L N 2.308 123.139 121.223 -0.652 0.000 2.395 533 L HA 0.456 4.080 4.340 -1.193 0.000 0.269 533 L C -0.785 175.474 176.870 -1.019 0.000 1.133 533 L CA -0.086 54.405 54.840 -0.582 0.000 0.812 533 L CB 0.239 42.094 42.059 -0.340 0.000 1.125 533 L HN 0.479 nan 8.230 nan 0.000 0.452 534 F N 0.444 120.209 119.950 -0.308 0.000 2.605 534 F HA 0.228 2.962 4.527 -2.989 0.000 0.320 534 F C -0.224 175.400 175.800 -0.293 0.000 1.159 534 F CA -0.769 56.935 58.000 -0.493 0.000 0.999 534 F CB 1.689 40.103 39.000 -0.977 0.000 1.258 534 F HN 0.294 nan 8.300 nan 0.000 0.464 535 Q N 3.387 123.178 119.800 -0.014 0.000 2.295 535 Q HA 0.454 4.078 4.340 -1.193 0.000 0.259 535 Q C -0.415 175.716 176.000 0.219 0.000 0.976 535 Q CA -0.013 55.856 55.803 0.110 0.000 0.923 535 Q CB 0.622 29.455 28.738 0.157 0.000 1.185 535 Q HN 0.544 nan 8.270 nan 0.000 0.410 536 I N 7.045 127.774 120.570 0.265 0.000 2.741 536 I HA 0.018 3.472 4.170 -1.193 0.000 0.288 536 I C -1.776 174.469 176.117 0.213 0.000 1.192 536 I CA -1.559 59.920 61.300 0.299 0.000 1.426 536 I CB 0.263 38.357 38.000 0.157 0.000 1.367 536 I HN 0.522 nan 8.210 nan 0.000 0.563 537 P HA 0.001 nan 4.420 nan 0.000 0.260 537 P C -1.972 175.390 177.300 0.104 0.000 1.185 537 P CA -0.734 62.453 63.100 0.145 0.000 0.763 537 P CB 0.104 31.872 31.700 0.113 0.000 0.776 538 P HA -0.232 nan 4.420 nan 0.000 0.216 538 P C 1.445 178.786 177.300 0.069 0.000 1.153 538 P CA 1.447 64.601 63.100 0.090 0.000 0.858 538 P CB -0.194 31.561 31.700 0.091 0.000 0.789 539 E N 0.049 120.285 120.200 0.060 0.000 2.333 539 E HA -0.150 3.483 4.350 -1.193 0.000 0.198 539 E C 1.567 178.190 176.600 0.037 0.000 1.007 539 E CA 1.050 57.477 56.400 0.044 0.000 0.845 539 E CB -1.056 28.667 29.700 0.038 0.000 0.766 539 E HN 0.326 nan 8.360 nan 0.000 0.507 540 L N 0.920 122.167 121.223 0.041 0.000 2.529 540 L HA 0.129 3.753 4.340 -1.193 0.000 0.223 540 L C 0.608 177.499 176.870 0.034 0.000 1.113 540 L CA -0.023 54.835 54.840 0.030 0.000 0.861 540 L CB 0.530 42.600 42.059 0.018 0.000 1.012 540 L HN -0.106 nan 8.230 nan 0.000 0.461 541 V N 2.313 122.251 119.914 0.040 0.000 2.304 541 V HA 0.136 3.540 4.120 -1.193 0.000 0.262 541 V C 0.046 176.172 176.094 0.053 0.000 1.061 541 V CA -0.528 61.796 62.300 0.040 0.000 0.872 541 V CB 1.239 33.081 31.823 0.033 0.000 1.077 541 V HN 0.065 nan 8.190 nan 0.000 0.480 542 L N 5.856 127.112 121.223 0.055 0.000 2.361 542 L HA 0.397 4.021 4.340 -1.193 0.000 0.278 542 L C 0.188 177.091 176.870 0.054 0.000 1.113 542 L CA 0.799 55.663 54.840 0.039 0.000 0.849 542 L CB 0.246 42.320 42.059 0.025 0.000 1.155 542 L HN 0.639 nan 8.230 nan 0.000 0.452 543 E N 3.425 123.641 120.200 0.028 0.000 2.244 543 E HA 0.588 4.222 4.350 -1.193 0.000 0.266 543 E C -1.368 175.187 176.600 -0.076 0.000 0.914 543 E CA -1.028 55.391 56.400 0.031 0.000 0.794 543 E CB 2.441 32.195 29.700 0.091 0.000 1.210 543 E HN 0.396 nan 8.360 nan 0.000 0.414 544 V N 3.263 123.102 119.914 -0.125 0.000 2.378 544 V HA 0.296 3.700 4.120 -1.193 0.000 0.288 544 V C -2.399 173.670 176.094 -0.042 0.000 1.016 544 V CA -2.109 60.069 62.300 -0.202 0.000 0.840 544 V CB 1.306 32.773 31.823 -0.593 0.000 0.994 544 V HN 0.537 nan 8.190 nan 0.000 0.431 545 P HA 0.252 nan 4.420 nan 0.000 0.271 545 P C -0.666 176.688 177.300 0.090 0.000 1.216 545 P CA -0.108 63.006 63.100 0.024 0.000 0.771 545 P CB 0.458 32.169 31.700 0.018 0.000 0.864 546 I N 4.697 125.362 120.570 0.158 0.000 2.304 546 I HA 0.320 3.774 4.170 -1.193 0.000 0.291 546 I C 0.962 177.289 176.117 0.350 0.000 1.018 546 I CA -0.398 61.065 61.300 0.272 0.000 1.260 546 I CB 0.286 38.519 38.000 0.388 0.000 1.390 546 I HN 0.417 nan 8.210 nan 0.000 0.475 547 R N 5.213 125.877 120.500 0.274 0.000 2.912 547 R HA 0.539 4.163 4.340 -1.193 0.000 0.262 547 R C -1.140 175.198 176.300 0.062 0.000 1.057 547 R CA -0.705 55.559 56.100 0.273 0.000 0.981 547 R CB 2.102 32.540 30.300 0.230 0.000 1.201 547 R HN 0.545 nan 8.270 nan 0.000 0.484 548 H N 1.435 120.396 119.070 -0.181 0.000 2.469 548 H HA 0.293 4.132 4.556 -1.194 0.000 0.342 548 H C -1.757 173.253 175.328 -0.530 0.000 1.115 548 H CA -2.015 53.754 56.048 -0.466 0.000 1.204 548 H CB 2.510 31.915 29.762 -0.595 0.000 1.492 548 H HN 0.322 nan 8.280 nan 0.000 0.499 549 P HA -0.083 nan 4.420 nan 0.000 0.220 549 P C 0.876 177.851 177.300 -0.541 0.000 1.148 549 P CA 1.129 63.526 63.100 -1.172 0.000 0.803 549 P CB 0.811 31.704 31.700 -1.345 0.000 0.782 550 K N -1.325 118.871 120.400 -0.340 0.000 2.214 550 K HA 0.135 3.739 4.320 -1.193 0.000 0.201 550 K C 0.618 177.008 176.600 -0.349 0.000 1.049 550 K CA 0.229 56.291 56.287 -0.377 0.000 0.978 550 K CB 0.117 32.241 32.500 -0.626 0.000 0.842 550 K HN 0.102 nan 8.250 nan 0.000 0.474 551 F N 2.221 122.073 119.950 -0.164 0.000 2.375 551 F HA 0.058 3.869 4.527 -1.194 0.000 0.362 551 F C 1.069 176.569 175.800 -0.499 0.000 1.129 551 F CA -0.859 56.788 58.000 -0.589 0.000 1.154 551 F CB 0.881 39.103 39.000 -1.296 0.000 1.205 551 F HN -0.011 nan 8.300 nan 0.000 0.513 552 D N 4.070 124.406 120.400 -0.107 0.000 2.116 552 D HA -0.226 3.698 4.640 -1.193 0.000 0.193 552 D C 2.121 178.451 176.300 0.049 0.000 0.998 552 D CA 1.597 55.599 54.000 0.005 0.000 0.836 552 D CB -0.109 40.746 40.800 0.092 0.000 0.951 552 D HN 0.709 nan 8.370 nan 0.000 0.449 553 W N -0.061 121.346 121.300 0.179 0.000 2.468 553 W HA -0.109 3.835 4.660 -1.194 0.000 0.262 553 W C 1.853 178.449 176.519 0.130 0.000 1.241 553 W CA -0.253 57.158 57.345 0.109 0.000 1.232 553 W CB -1.409 28.071 29.460 0.033 0.000 1.124 553 W HN -0.114 nan 8.180 nan 0.000 0.597 554 F N 3.764 123.587 119.950 -0.211 0.000 2.091 554 F HA -0.306 3.505 4.527 -1.194 0.000 0.299 554 F C 2.787 178.649 175.800 0.104 0.000 1.103 554 F CA 3.512 61.463 58.000 -0.081 0.000 1.228 554 F CB -0.320 38.537 39.000 -0.239 0.000 0.984 554 F HN -0.140 nan 8.300 nan 0.000 0.477 555 K N -0.578 120.001 120.400 0.299 0.000 2.127 555 K HA -0.251 3.353 4.320 -1.193 0.000 0.208 555 K C 1.235 177.911 176.600 0.128 0.000 1.047 555 K CA 2.081 58.494 56.287 0.210 0.000 0.927 555 K CB -0.759 31.841 32.500 0.167 0.000 0.716 555 K HN 0.231 nan 8.250 nan 0.000 0.450 556 D N 0.953 121.431 120.400 0.130 0.000 2.363 556 D HA -0.000 3.924 4.640 -1.193 0.000 0.226 556 D C 1.586 177.917 176.300 0.050 0.000 1.020 556 D CA 0.502 54.560 54.000 0.095 0.000 0.892 556 D CB 0.036 40.906 40.800 0.116 0.000 0.900 556 D HN 0.283 nan 8.370 nan 0.000 0.531 557 L N -0.255 120.966 121.223 -0.003 0.000 2.551 557 L HA 0.044 3.668 4.340 -1.193 0.000 0.228 557 L C 1.602 178.476 176.870 0.006 0.000 1.153 557 L CA 0.541 55.347 54.840 -0.057 0.000 0.851 557 L CB -0.283 41.642 42.059 -0.223 0.000 0.959 557 L HN 0.100 nan 8.230 nan 0.000 0.451 558 G N 0.381 109.204 108.800 0.038 0.000 2.160 558 G HA2 -0.279 2.965 3.960 -1.193 0.000 0.251 558 G HA3 -0.279 2.965 3.960 -1.193 0.000 0.251 558 G C 0.110 175.056 174.900 0.077 0.000 1.008 558 G CA -0.131 45.020 45.100 0.085 0.000 0.724 558 G HN 0.237 nan 8.290 nan 0.000 0.514 559 L N -0.067 121.150 121.223 -0.010 0.000 2.350 559 L HA 0.705 4.329 4.340 -1.193 0.000 0.275 559 L C 0.671 177.422 176.870 -0.198 0.000 1.099 559 L CA -0.399 54.361 54.840 -0.133 0.000 0.808 559 L CB 1.418 43.387 42.059 -0.150 0.000 1.149 559 L HN 0.474 nan 8.230 nan 0.000 0.442 560 K N 1.636 121.746 120.400 -0.484 0.000 2.555 560 K HA 0.532 4.136 4.320 -1.193 0.000 0.279 560 K C -1.849 174.794 176.600 0.071 0.000 0.986 560 K CA -1.040 55.126 56.287 -0.201 0.000 0.880 560 K CB 2.392 34.721 32.500 -0.286 0.000 1.474 560 K HN 0.529 nan 8.250 nan 0.000 0.433 561 W N 1.840 123.155 121.300 0.025 0.000 3.047 561 W HA 0.389 4.336 4.660 -1.188 0.000 0.341 561 W C -1.248 175.387 176.519 0.193 0.000 1.225 561 W CA -0.907 56.525 57.345 0.145 0.000 1.150 561 W CB 1.833 31.267 29.460 -0.042 0.000 1.470 561 W HN 0.709 nan 8.180 nan 0.000 0.578 562 Y N 0.009 120.304 120.300 -0.008 0.000 2.320 562 Y HA 0.571 4.408 4.550 -1.187 0.000 0.324 562 Y C 0.975 177.097 175.900 0.370 0.000 1.190 562 Y CA -0.204 57.925 58.100 0.048 0.000 1.215 562 Y CB 0.467 38.812 38.460 -0.192 0.000 1.221 562 Y HN 0.448 nan 8.280 nan 0.000 0.486 563 G N 1.673 110.705 108.800 0.387 0.000 2.511 563 G HA2 -0.041 3.203 3.960 -1.193 0.000 0.217 563 G HA3 -0.041 3.203 3.960 -1.193 0.000 0.217 563 G C -0.239 174.993 174.900 0.552 0.000 1.133 563 G CA 0.121 45.496 45.100 0.458 0.000 0.792 563 G HN 0.534 nan 8.290 nan 0.000 0.539 564 L N 2.447 123.954 121.223 0.474 0.000 2.277 564 L HA 0.478 4.102 4.340 -1.193 0.000 0.284 564 L C -2.331 174.681 176.870 0.237 0.000 1.028 564 L CA -2.652 52.362 54.840 0.290 0.000 0.835 564 L CB 1.760 43.926 42.059 0.178 0.000 1.215 564 L HN -0.178 nan 8.230 nan 0.000 0.425 565 P HA 0.376 nan 4.420 nan 0.000 0.293 565 P C -1.402 175.786 177.300 -0.186 0.000 1.313 565 P CA -0.354 62.579 63.100 -0.278 0.000 0.787 565 P CB 1.477 32.612 31.700 -0.942 0.000 0.910 566 A N 4.161 126.875 122.820 -0.176 0.000 2.651 566 A HA 0.382 3.986 4.320 -1.193 0.000 0.290 566 A C -0.455 176.880 177.584 -0.416 0.000 1.185 566 A CA -0.584 51.282 52.037 -0.284 0.000 0.746 566 A CB 0.645 19.506 19.000 -0.231 0.000 1.213 566 A HN 0.272 nan 8.150 nan 0.000 0.429 567 V N 2.749 122.242 119.914 -0.702 0.000 2.479 567 V HA 0.246 3.650 4.120 -1.193 0.000 0.281 567 V C 1.252 176.887 176.094 -0.765 0.000 1.031 567 V CA 1.197 63.023 62.300 -0.791 0.000 1.038 567 V CB 0.917 32.047 31.823 -1.155 0.000 0.981 567 V HN 1.077 nan 8.190 nan 0.000 0.478 568 S N 1.863 117.321 115.700 -0.403 0.000 2.666 568 S HA 0.050 3.804 4.470 -1.193 0.000 0.239 568 S C 0.813 175.339 174.600 -0.125 0.000 1.031 568 S CA 0.058 58.114 58.200 -0.240 0.000 1.015 568 S CB -0.371 62.726 63.200 -0.171 0.000 0.981 568 S HN 0.910 nan 8.310 nan 0.000 0.547 569 N N 0.406 119.028 118.700 -0.131 0.000 2.203 569 N HA 0.291 4.315 4.740 -1.193 0.000 0.207 569 N C 0.275 175.783 175.510 -0.002 0.000 1.130 569 N CA -0.460 52.552 53.050 -0.064 0.000 0.861 569 N CB 0.122 38.558 38.487 -0.086 0.000 1.005 569 N HN 0.277 nan 8.380 nan 0.000 0.507 570 M N 1.040 120.658 119.600 0.030 0.000 2.369 570 M HA 0.356 4.120 4.480 -1.193 0.000 0.291 570 M C -0.670 175.732 176.300 0.171 0.000 1.178 570 M CA -0.814 54.550 55.300 0.106 0.000 0.996 570 M CB 1.913 34.598 32.600 0.142 0.000 1.472 570 M HN 0.081 nan 8.290 nan 0.000 0.496 571 L N 1.970 123.294 121.223 0.170 0.000 2.333 571 L HA 0.527 4.151 4.340 -1.193 0.000 0.280 571 L C -1.504 175.478 176.870 0.187 0.000 1.004 571 L CA -0.916 54.023 54.840 0.165 0.000 0.820 571 L CB 1.447 43.555 42.059 0.082 0.000 1.247 571 L HN 0.545 nan 8.230 nan 0.000 0.416 572 L N 4.868 126.214 121.223 0.205 0.000 2.264 572 L HA 0.466 4.090 4.340 -1.193 0.000 0.289 572 L C -0.509 176.409 176.870 0.081 0.000 1.044 572 L CA 0.266 55.135 54.840 0.047 0.000 0.807 572 L CB 1.269 43.360 42.059 0.053 0.000 1.192 572 L HN 0.717 nan 8.230 nan 0.000 0.425 573 E N 5.756 125.919 120.200 -0.062 0.000 2.129 573 E HA 0.519 4.153 4.350 -1.193 0.000 0.268 573 E C -1.452 175.092 176.600 -0.094 0.000 0.900 573 E CA -0.475 55.897 56.400 -0.046 0.000 0.755 573 E CB 0.940 30.602 29.700 -0.063 0.000 1.117 573 E HN 0.720 nan 8.360 nan 0.000 0.410 574 I N 3.530 124.051 120.570 -0.081 0.000 2.478 574 I HA 0.327 3.781 4.170 -1.193 0.000 0.287 574 I C 0.659 176.570 176.117 -0.345 0.000 1.042 574 I CA -0.730 60.401 61.300 -0.281 0.000 1.067 574 I CB 2.048 39.836 38.000 -0.352 0.000 1.233 574 I HN 0.845 nan 8.210 nan 0.000 0.431 575 G N 4.329 112.936 108.800 -0.321 0.000 2.395 575 G HA2 -0.102 3.142 3.960 -1.193 0.000 0.300 575 G HA3 -0.102 3.142 3.960 -1.193 0.000 0.300 575 G C 1.054 176.002 174.900 0.080 0.000 0.998 575 G CA 0.801 45.880 45.100 -0.036 0.000 1.046 575 G HN 1.568 nan 8.290 nan 0.000 0.513 576 G N -1.982 106.826 108.800 0.014 0.000 2.184 576 G HA2 -0.270 2.974 3.960 -1.193 0.000 0.264 576 G HA3 -0.270 2.974 3.960 -1.193 0.000 0.264 576 G C 0.508 175.374 174.900 -0.058 0.000 0.975 576 G CA 0.697 45.807 45.100 0.016 0.000 0.642 576 G HN 1.380 nan 8.290 nan 0.000 0.536 577 L N 0.556 121.687 121.223 -0.154 0.000 2.312 577 L HA 0.573 4.197 4.340 -1.193 0.000 0.281 577 L C 0.290 176.906 176.870 -0.422 0.000 1.070 577 L CA -0.510 54.116 54.840 -0.357 0.000 0.805 577 L CB 1.233 42.962 42.059 -0.551 0.000 1.174 577 L HN 0.130 nan 8.230 nan 0.000 0.434 578 E N 3.042 122.942 120.200 -0.500 0.000 2.129 578 E HA 0.362 3.996 4.350 -1.193 0.000 0.268 578 E C -1.459 174.868 176.600 -0.454 0.000 0.900 578 E CA -0.398 55.805 56.400 -0.329 0.000 0.755 578 E CB 1.586 31.186 29.700 -0.167 0.000 1.117 578 E HN 0.301 nan 8.360 nan 0.000 0.410 579 F N 1.886 121.812 119.950 -0.040 0.000 2.293 579 F HA 0.100 3.909 4.527 -1.196 0.000 0.370 579 F C 1.413 177.246 175.800 0.055 0.000 1.090 579 F CA -0.468 57.529 58.000 -0.005 0.000 1.133 579 F CB 1.185 40.166 39.000 -0.032 0.000 1.360 579 F HN 0.400 nan 8.300 nan 0.000 0.489 580 S N 1.131 116.943 115.700 0.187 0.000 2.527 580 S HA 0.345 4.099 4.470 -1.193 0.000 0.222 580 S C 0.731 175.448 174.600 0.195 0.000 0.985 580 S CA 0.153 58.446 58.200 0.155 0.000 0.921 580 S CB 0.174 63.438 63.200 0.108 0.000 0.772 580 S HN 0.473 nan 8.310 nan 0.000 0.529 581 A N 1.066 124.054 122.820 0.281 0.000 2.340 581 A HA 0.601 4.205 4.320 -1.193 0.000 0.297 581 A C -0.109 177.722 177.584 0.412 0.000 1.195 581 A CA -0.693 51.540 52.037 0.325 0.000 0.769 581 A CB 0.324 19.523 19.000 0.331 0.000 1.163 581 A HN 0.980 nan 8.150 nan 0.000 0.472 582 C N 0.614 120.102 119.300 0.314 0.000 3.235 582 C HA 0.446 4.189 4.460 -1.193 0.000 0.198 582 C C -2.846 172.289 174.990 0.241 0.000 1.527 582 C CA -1.799 57.377 59.018 0.264 0.000 1.167 582 C CB -0.414 27.506 27.740 0.300 0.000 1.938 582 C HN 0.554 nan 8.230 nan 0.000 0.593 583 P HA 0.241 nan 4.420 nan 0.000 0.262 583 P C -0.509 176.819 177.300 0.046 0.000 1.182 583 P CA 1.096 64.165 63.100 -0.052 0.000 0.761 583 P CB 0.257 31.895 31.700 -0.102 0.000 0.795 584 F N 0.080 119.962 119.950 -0.113 0.000 2.593 584 F HA 0.812 4.624 4.527 -1.191 0.000 0.320 584 F C -0.491 175.214 175.800 -0.158 0.000 1.060 584 F CA -1.239 56.700 58.000 -0.102 0.000 0.940 584 F CB 1.658 40.467 39.000 -0.319 0.000 1.268 584 F HN 0.382 nan 8.300 nan 0.000 0.475 585 S N -0.045 115.724 115.700 0.115 0.000 2.550 585 S HA 0.904 4.658 4.470 -1.193 0.000 0.270 585 S C -0.781 173.773 174.600 -0.078 0.000 1.145 585 S CA -0.152 58.050 58.200 0.002 0.000 0.852 585 S CB 1.415 64.700 63.200 0.142 0.000 1.119 585 S HN 1.473 nan 8.310 nan 0.000 0.465 586 G N 0.271 108.975 108.800 -0.159 0.000 3.324 586 G HA2 0.750 3.994 3.960 -1.193 0.000 0.188 586 G HA3 0.750 3.994 3.960 -1.193 0.000 0.188 586 G C -1.385 173.513 174.900 -0.003 0.000 1.384 586 G CA -0.196 44.742 45.100 -0.269 0.000 0.841 586 G HN 1.224 nan 8.290 nan 0.000 0.758 587 W N -1.598 119.700 121.300 -0.003 0.000 3.075 587 W HA 0.785 4.728 4.660 -1.195 0.000 0.334 587 W C -1.638 174.881 176.519 0.001 0.000 1.243 587 W CA -2.173 55.186 57.345 0.023 0.000 1.170 587 W CB 0.414 29.936 29.460 0.103 0.000 1.452 587 W HN 0.437 nan 8.180 nan 0.000 0.572 588 Y N 2.523 123.018 120.300 0.326 0.000 2.336 588 Y HA 0.286 4.120 4.550 -1.194 0.000 0.331 588 Y C 0.997 176.966 175.900 0.115 0.000 1.211 588 Y CA -0.623 57.544 58.100 0.111 0.000 1.346 588 Y CB 1.251 39.682 38.460 -0.048 0.000 1.271 588 Y HN 0.410 nan 8.280 nan 0.000 0.538 589 M N 2.299 122.049 119.600 0.250 0.000 2.233 589 M HA 0.286 4.050 4.480 -1.193 0.000 0.355 589 M C 1.179 177.480 176.300 0.003 0.000 1.191 589 M CA 0.121 55.499 55.300 0.131 0.000 1.101 589 M CB 1.138 33.793 32.600 0.091 0.000 1.592 589 M HN 0.904 nan 8.290 nan 0.000 0.461 590 G N 1.330 110.090 108.800 -0.067 0.000 2.469 590 G HA2 -0.274 2.970 3.960 -1.193 0.000 0.219 590 G HA3 -0.274 2.970 3.960 -1.193 0.000 0.219 590 G C 1.173 175.922 174.900 -0.253 0.000 1.150 590 G CA 1.603 46.577 45.100 -0.211 0.000 0.763 590 G HN 0.883 nan 8.290 nan 0.000 0.561 591 T N -0.669 113.775 114.554 -0.183 0.000 2.881 591 T HA -0.056 3.578 4.350 -1.193 0.000 0.270 591 T C 1.934 176.477 174.700 -0.262 0.000 1.068 591 T CA 1.609 63.560 62.100 -0.248 0.000 1.131 591 T CB -0.296 68.388 68.868 -0.307 0.000 0.871 591 T HN 0.524 nan 8.240 nan 0.000 0.479 592 E N 0.975 121.045 120.200 -0.216 0.000 2.085 592 E HA -0.069 3.565 4.350 -1.193 0.000 0.194 592 E C 2.075 178.412 176.600 -0.437 0.000 0.994 592 E CA 1.484 57.769 56.400 -0.192 0.000 0.801 592 E CB -0.354 29.377 29.700 0.052 0.000 0.743 592 E HN 0.598 nan 8.360 nan 0.000 0.453 593 I N 0.170 120.299 120.570 -0.734 0.000 2.270 593 I HA -0.069 3.385 4.170 -1.193 0.000 0.239 593 I C 2.579 178.121 176.117 -0.959 0.000 1.080 593 I CA 1.041 61.623 61.300 -1.196 0.000 1.383 593 I CB -0.454 36.682 38.000 -1.439 0.000 1.097 593 I HN 0.107 nan 8.210 nan 0.000 0.420 594 G N 0.340 108.790 108.800 -0.583 0.000 2.421 594 G HA2 -0.093 3.151 3.960 -1.193 0.000 0.217 594 G HA3 -0.093 3.151 3.960 -1.193 0.000 0.217 594 G C 1.601 176.426 174.900 -0.124 0.000 1.143 594 G CA 0.807 45.757 45.100 -0.250 0.000 0.784 594 G HN 0.217 nan 8.290 nan 0.000 0.541 595 V N 0.290 120.088 119.914 -0.194 0.000 2.436 595 V HA 0.063 3.467 4.120 -1.193 0.000 0.240 595 V C 2.800 178.823 176.094 -0.118 0.000 1.040 595 V CA 0.990 63.209 62.300 -0.134 0.000 1.052 595 V CB -0.268 31.451 31.823 -0.175 0.000 0.707 595 V HN 0.115 nan 8.190 nan 0.000 0.469 596 R N 0.537 120.934 120.500 -0.171 0.000 2.052 596 R HA -0.010 3.614 4.340 -1.193 0.000 0.224 596 R C 1.972 178.217 176.300 -0.092 0.000 1.149 596 R CA 1.379 57.405 56.100 -0.123 0.000 0.962 596 R CB -1.048 29.175 30.300 -0.128 0.000 0.856 596 R HN 0.460 nan 8.270 nan 0.000 0.433 597 D N 0.091 120.345 120.400 -0.245 0.000 2.117 597 D HA -0.128 3.796 4.640 -1.193 0.000 0.198 597 D C 1.993 178.324 176.300 0.052 0.000 0.982 597 D CA 1.246 55.107 54.000 -0.231 0.000 0.828 597 D CB -0.165 40.073 40.800 -0.938 0.000 0.967 597 D HN 0.357 nan 8.370 nan 0.000 0.464 598 Y N -0.518 119.705 120.300 -0.127 0.000 2.397 598 Y HA -0.010 3.823 4.550 -1.194 0.000 0.292 598 Y C 2.272 178.219 175.900 0.078 0.000 1.115 598 Y CA 0.151 58.258 58.100 0.011 0.000 1.208 598 Y CB 0.429 38.864 38.460 -0.042 0.000 1.046 598 Y HN 0.023 nan 8.280 nan 0.000 0.552 599 C N -1.015 118.393 119.300 0.180 0.000 3.019 599 C HA 0.147 3.891 4.460 -1.193 0.000 0.295 599 C C 0.195 175.227 174.990 0.070 0.000 1.256 599 C CA -0.723 58.364 59.018 0.115 0.000 1.706 599 C CB -0.595 27.188 27.740 0.072 0.000 2.153 599 C HN 0.235 nan 8.230 nan 0.000 0.618 600 D N 2.250 122.683 120.400 0.055 0.000 2.533 600 D HA -0.065 3.859 4.640 -1.193 0.000 0.236 600 D C 1.279 177.612 176.300 0.055 0.000 1.137 600 D CA 0.439 54.461 54.000 0.035 0.000 0.867 600 D CB 0.305 41.124 40.800 0.031 0.000 1.170 600 D HN 0.304 nan 8.370 nan 0.000 0.474 601 N N 1.458 120.180 118.700 0.036 0.000 2.094 601 N HA -0.232 3.792 4.740 -1.193 0.000 0.191 601 N C 1.056 176.590 175.510 0.040 0.000 1.023 601 N CA 1.715 54.790 53.050 0.041 0.000 0.857 601 N CB 0.082 38.587 38.487 0.030 0.000 1.013 601 N HN 0.344 nan 8.380 nan 0.000 0.426 602 S N -0.841 114.880 115.700 0.035 0.000 2.631 602 S HA 0.234 3.988 4.470 -1.193 0.000 0.217 602 S C 1.144 175.765 174.600 0.034 0.000 0.958 602 S CA -0.504 57.714 58.200 0.030 0.000 0.920 602 S CB 0.464 63.681 63.200 0.029 0.000 0.776 602 S HN 0.131 nan 8.310 nan 0.000 0.517 603 R N 0.302 120.838 120.500 0.060 0.000 2.647 603 R HA 0.396 4.020 4.340 -1.193 0.000 0.124 603 R C 0.881 177.218 176.300 0.061 0.000 1.294 603 R CA -0.366 55.787 56.100 0.089 0.000 1.060 603 R CB -1.079 29.329 30.300 0.179 0.000 1.282 603 R HN 0.319 nan 8.270 nan 0.000 0.430 604 Y N 1.537 121.950 120.300 0.189 0.000 2.439 604 Y HA 0.007 3.840 4.550 -1.195 0.000 0.292 604 Y C 0.736 176.708 175.900 0.121 0.000 1.130 604 Y CA 1.105 59.317 58.100 0.188 0.000 1.254 604 Y CB -0.126 38.523 38.460 0.315 0.000 1.000 604 Y HN 0.540 nan 8.280 nan 0.000 0.554 605 N N 0.976 119.816 118.700 0.233 0.000 2.714 605 N HA -0.220 3.804 4.740 -1.193 0.000 0.253 605 N C 0.431 176.021 175.510 0.135 0.000 1.024 605 N CA 0.398 53.535 53.050 0.145 0.000 0.726 605 N CB -1.067 37.476 38.487 0.094 0.000 0.908 605 N HN 0.620 nan 8.380 nan 0.000 0.542 606 I N -2.925 117.731 120.570 0.144 0.000 3.793 606 I HA 0.072 3.526 4.170 -1.193 0.000 0.315 606 I C 1.784 177.961 176.117 0.099 0.000 1.275 606 I CA -0.349 61.006 61.300 0.092 0.000 1.214 606 I CB -0.033 37.980 38.000 0.022 0.000 1.018 606 I HN 0.170 nan 8.210 nan 0.000 0.439 607 L N 1.129 122.434 121.223 0.138 0.000 1.989 607 L HA -0.169 3.455 4.340 -1.193 0.000 0.211 607 L C 2.701 179.730 176.870 0.265 0.000 1.071 607 L CA 1.767 56.720 54.840 0.188 0.000 0.749 607 L CB -0.523 41.630 42.059 0.156 0.000 0.890 607 L HN 0.342 nan 8.230 nan 0.000 0.431 608 E N -0.369 119.980 120.200 0.249 0.000 2.070 608 E HA -0.250 3.384 4.350 -1.193 0.000 0.197 608 E C 2.118 178.735 176.600 0.027 0.000 1.004 608 E CA 1.278 57.772 56.400 0.156 0.000 0.805 608 E CB -0.013 29.741 29.700 0.090 0.000 0.744 608 E HN 0.428 nan 8.360 nan 0.000 0.451 609 E N 0.226 120.435 120.200 0.015 0.000 2.072 609 E HA -0.129 3.505 4.350 -1.193 0.000 0.191 609 E C 2.295 178.843 176.600 -0.088 0.000 0.985 609 E CA 0.631 57.000 56.400 -0.053 0.000 0.801 609 E CB -0.161 29.509 29.700 -0.049 0.000 0.750 609 E HN 0.128 nan 8.360 nan 0.000 0.452 610 V N 1.468 121.375 119.914 -0.010 0.000 2.379 610 V HA -0.187 3.217 4.120 -1.193 0.000 0.245 610 V C 2.433 178.525 176.094 -0.002 0.000 1.044 610 V CA 1.609 63.924 62.300 0.025 0.000 1.036 610 V CB -0.795 31.127 31.823 0.164 0.000 0.664 610 V HN 0.225 nan 8.190 nan 0.000 0.453 611 A N -0.404 122.460 122.820 0.074 0.000 1.940 611 A HA -0.238 3.366 4.320 -1.193 0.000 0.219 611 A C 2.305 179.815 177.584 -0.124 0.000 1.176 611 A CA 1.870 53.952 52.037 0.074 0.000 0.631 611 A CB -0.413 18.746 19.000 0.265 0.000 0.814 611 A HN 0.520 nan 8.150 nan 0.000 0.446 612 K N -0.404 119.882 120.400 -0.190 0.000 2.026 612 K HA -0.110 3.494 4.320 -1.193 0.000 0.208 612 K C 1.942 178.322 176.600 -0.367 0.000 1.048 612 K CA 1.305 57.437 56.287 -0.259 0.000 0.929 612 K CB -0.136 32.227 32.500 -0.229 0.000 0.713 612 K HN 0.256 nan 8.250 nan 0.000 0.439 613 K N 0.456 120.536 120.400 -0.533 0.000 2.148 613 K HA -0.020 3.584 4.320 -1.193 0.000 0.204 613 K C 1.849 177.855 176.600 -0.990 0.000 1.050 613 K CA 1.012 56.701 56.287 -0.996 0.000 0.942 613 K CB -0.018 31.471 32.500 -1.686 0.000 0.724 613 K HN 0.230 nan 8.250 nan 0.000 0.446 614 M N 0.547 119.798 119.600 -0.582 0.000 2.659 614 M HA -0.068 3.696 4.480 -1.193 0.000 0.243 614 M C -0.295 175.890 176.300 -0.191 0.000 1.111 614 M CA 0.352 55.470 55.300 -0.303 0.000 1.070 614 M CB -0.103 32.432 32.600 -0.108 0.000 1.525 614 M HN 0.017 nan 8.290 nan 0.000 0.517 615 D N 1.764 122.027 120.400 -0.229 0.000 2.701 615 D HA -0.168 3.756 4.640 -1.193 0.000 0.235 615 D C -0.712 175.532 176.300 -0.094 0.000 1.155 615 D CA 0.597 54.502 54.000 -0.158 0.000 0.649 615 D CB -0.921 39.801 40.800 -0.130 0.000 1.050 615 D HN 0.313 nan 8.370 nan 0.000 0.425 616 L N -0.126 121.050 121.223 -0.079 0.000 2.439 616 L HA 0.254 3.878 4.340 -1.193 0.000 0.261 616 L C 1.039 177.862 176.870 -0.078 0.000 1.153 616 L CA -0.590 54.241 54.840 -0.015 0.000 0.808 616 L CB 0.457 42.573 42.059 0.096 0.000 1.126 616 L HN -0.052 nan 8.230 nan 0.000 0.460 617 D N 1.570 121.955 120.400 -0.025 0.000 2.383 617 D HA 0.120 4.044 4.640 -1.193 0.000 0.245 617 D C 0.584 176.776 176.300 -0.180 0.000 1.263 617 D CA 0.317 54.274 54.000 -0.071 0.000 0.936 617 D CB 0.642 41.441 40.800 -0.001 0.000 1.053 617 D HN 0.354 nan 8.370 nan 0.000 0.507 618 M N 2.476 121.821 119.600 -0.425 0.000 2.561 618 M HA 0.104 3.868 4.480 -1.193 0.000 0.238 618 M C 1.596 177.624 176.300 -0.455 0.000 1.131 618 M CA 0.085 54.836 55.300 -0.914 0.000 1.046 618 M CB 0.331 32.293 32.600 -1.063 0.000 1.532 618 M HN 0.286 nan 8.290 nan 0.000 0.497 619 R N 1.429 121.813 120.500 -0.193 0.000 2.115 619 R HA -0.026 3.598 4.340 -1.193 0.000 0.226 619 R C 0.052 176.368 176.300 0.027 0.000 1.100 619 R CA 0.869 56.924 56.100 -0.076 0.000 0.980 619 R CB -0.066 30.202 30.300 -0.054 0.000 0.875 619 R HN 0.350 nan 8.270 nan 0.000 0.445 620 K N -0.276 120.183 120.400 0.099 0.000 2.378 620 K HA 0.249 3.853 4.320 -1.193 0.000 0.252 620 K C 0.441 177.210 176.600 0.280 0.000 0.931 620 K CA -0.483 55.896 56.287 0.153 0.000 0.794 620 K CB 1.875 34.433 32.500 0.096 0.000 1.181 620 K HN -0.167 nan 8.250 nan 0.000 0.425 621 T N -1.987 112.706 114.554 0.231 0.000 2.881 621 T HA -0.210 3.424 4.350 -1.193 0.000 0.270 621 T C 1.753 176.498 174.700 0.077 0.000 1.068 621 T CA 1.596 63.797 62.100 0.167 0.000 1.131 621 T CB -0.499 68.409 68.868 0.067 0.000 0.871 621 T HN 0.623 nan 8.240 nan 0.000 0.479 622 S N 1.960 117.711 115.700 0.086 0.000 2.547 622 S HA -0.039 3.715 4.470 -1.193 0.000 0.235 622 S C 2.065 176.710 174.600 0.075 0.000 0.980 622 S CA 0.710 58.944 58.200 0.057 0.000 0.941 622 S CB -0.830 62.399 63.200 0.047 0.000 0.763 622 S HN 0.769 nan 8.310 nan 0.000 0.532 623 S N 1.824 117.606 115.700 0.136 0.000 2.561 623 S HA 0.188 3.942 4.470 -1.193 0.000 0.225 623 S C 0.969 175.645 174.600 0.126 0.000 0.977 623 S CA 0.160 58.448 58.200 0.147 0.000 0.926 623 S CB -1.049 62.274 63.200 0.205 0.000 0.769 623 S HN 0.648 nan 8.310 nan 0.000 0.533 624 L N 0.726 121.980 121.223 0.053 0.000 3.737 624 L HA -0.189 3.435 4.340 -1.193 0.000 0.418 624 L C 1.696 178.542 176.870 -0.039 0.000 1.216 624 L CA 0.722 55.528 54.840 -0.056 0.000 0.915 624 L CB -2.624 39.419 42.059 -0.026 0.000 1.834 624 L HN 0.729 nan 8.230 nan 0.000 0.943 625 W N 0.166 121.477 121.300 0.019 0.000 2.358 625 W HA -0.162 3.782 4.660 -1.194 0.000 0.303 625 W C 1.777 178.312 176.519 0.027 0.000 1.208 625 W CA 1.367 58.724 57.345 0.020 0.000 1.274 625 W CB -0.774 28.689 29.460 0.005 0.000 1.138 625 W HN 0.268 nan 8.180 nan 0.000 0.515 626 K N 1.021 120.871 120.400 -0.917 0.000 2.063 626 K HA -0.191 3.413 4.320 -1.193 0.000 0.208 626 K C 1.528 177.973 176.600 -0.260 0.000 1.048 626 K CA 2.510 58.360 56.287 -0.728 0.000 0.928 626 K CB -0.357 31.582 32.500 -0.934 0.000 0.713 626 K HN 0.086 nan 8.250 nan 0.000 0.442 627 D N 0.416 120.688 120.400 -0.213 0.000 2.123 627 D HA -0.124 3.800 4.640 -1.193 0.000 0.200 627 D C 2.004 178.303 176.300 -0.002 0.000 0.976 627 D CA 0.923 54.868 54.000 -0.091 0.000 0.831 627 D CB -0.020 40.732 40.800 -0.079 0.000 0.974 627 D HN 0.200 nan 8.370 nan 0.000 0.469 628 Q N 0.406 120.229 119.800 0.039 0.000 2.050 628 Q HA -0.123 3.501 4.340 -1.193 0.000 0.202 628 Q C 2.345 178.432 176.000 0.145 0.000 0.980 628 Q CA 1.437 57.302 55.803 0.105 0.000 0.840 628 Q CB -0.254 28.566 28.738 0.137 0.000 0.898 628 Q HN 0.312 nan 8.270 nan 0.000 0.424 629 A N 1.047 123.962 122.820 0.159 0.000 1.902 629 A HA -0.182 3.422 4.320 -1.193 0.000 0.217 629 A C 2.095 179.787 177.584 0.180 0.000 1.181 629 A CA 1.162 53.320 52.037 0.203 0.000 0.623 629 A CB -0.681 18.458 19.000 0.231 0.000 0.818 629 A HN 0.332 nan 8.150 nan 0.000 0.443 630 L N 0.043 121.327 121.223 0.102 0.000 2.013 630 L HA -0.171 3.453 4.340 -1.193 0.000 0.212 630 L C 2.422 179.350 176.870 0.097 0.000 1.073 630 L CA 2.160 57.045 54.840 0.076 0.000 0.753 630 L CB -0.571 41.489 42.059 0.002 0.000 0.890 630 L HN 0.173 nan 8.230 nan 0.000 0.432 631 V N -0.185 119.788 119.914 0.099 0.000 2.295 631 V HA -0.247 3.157 4.120 -1.193 0.000 0.246 631 V C 2.641 178.829 176.094 0.156 0.000 1.049 631 V CA 1.892 64.259 62.300 0.111 0.000 1.024 631 V CB -0.732 31.156 31.823 0.108 0.000 0.648 631 V HN 0.478 nan 8.190 nan 0.000 0.447 632 E N -0.015 120.318 120.200 0.222 0.000 2.085 632 E HA -0.191 3.443 4.350 -1.193 0.000 0.194 632 E C 2.164 178.924 176.600 0.266 0.000 0.994 632 E CA 1.400 57.993 56.400 0.321 0.000 0.801 632 E CB -0.387 29.549 29.700 0.394 0.000 0.743 632 E HN 0.578 nan 8.360 nan 0.000 0.453 633 I N 1.778 122.521 120.570 0.289 0.000 2.208 633 I HA -0.289 3.165 4.170 -1.193 0.000 0.245 633 I C 2.114 178.334 176.117 0.171 0.000 1.097 633 I CA 1.027 62.521 61.300 0.324 0.000 1.363 633 I CB -0.285 37.927 38.000 0.354 0.000 1.051 633 I HN 0.085 nan 8.210 nan 0.000 0.413 634 N N 0.581 119.346 118.700 0.108 0.000 2.354 634 N HA -0.033 3.991 4.740 -1.193 0.000 0.179 634 N C 1.977 177.496 175.510 0.016 0.000 1.021 634 N CA 1.090 54.163 53.050 0.038 0.000 0.887 634 N CB 0.090 38.584 38.487 0.013 0.000 0.974 634 N HN 0.359 nan 8.380 nan 0.000 0.437 635 I N 1.465 122.041 120.570 0.011 0.000 2.179 635 I HA -0.237 3.217 4.170 -1.193 0.000 0.242 635 I C 2.481 178.495 176.117 -0.171 0.000 1.088 635 I CA 0.857 62.107 61.300 -0.082 0.000 1.357 635 I CB -0.266 37.655 38.000 -0.132 0.000 1.051 635 I HN 0.047 nan 8.210 nan 0.000 0.409 636 A N 0.344 123.025 122.820 -0.232 0.000 1.908 636 A HA -0.163 3.441 4.320 -1.193 0.000 0.218 636 A C 2.437 180.010 177.584 -0.019 0.000 1.181 636 A CA 1.819 53.682 52.037 -0.289 0.000 0.627 636 A CB -0.976 17.615 19.000 -0.683 0.000 0.818 636 A HN 0.242 nan 8.150 nan 0.000 0.445 637 V N -0.002 119.930 119.914 0.029 0.000 2.261 637 V HA -0.263 3.141 4.120 -1.193 0.000 0.246 637 V C 2.590 178.708 176.094 0.040 0.000 1.047 637 V CA 2.076 64.413 62.300 0.061 0.000 1.015 637 V CB -0.761 31.016 31.823 -0.077 0.000 0.642 637 V HN 0.573 nan 8.190 nan 0.000 0.446 638 L N -1.383 119.832 121.223 -0.013 0.000 2.046 638 L HA -0.204 3.420 4.340 -1.193 0.000 0.208 638 L C 2.488 179.405 176.870 0.078 0.000 1.077 638 L CA 1.961 56.804 54.840 0.004 0.000 0.747 638 L CB -0.748 41.310 42.059 -0.002 0.000 0.896 638 L HN 0.415 nan 8.230 nan 0.000 0.432 639 Y N 0.613 120.874 120.300 -0.065 0.000 2.128 639 Y HA -0.290 3.544 4.550 -1.193 0.000 0.284 639 Y C 2.747 178.643 175.900 -0.007 0.000 1.154 639 Y CA 1.803 59.855 58.100 -0.079 0.000 1.149 639 Y CB -0.278 38.066 38.460 -0.194 0.000 0.976 639 Y HN 0.073 nan 8.280 nan 0.000 0.505 640 S N 0.183 115.886 115.700 0.006 0.000 2.348 640 S HA -0.168 3.586 4.470 -1.193 0.000 0.221 640 S C 1.781 176.381 174.600 -0.001 0.000 1.033 640 S CA 1.516 59.696 58.200 -0.035 0.000 1.010 640 S CB -0.792 62.490 63.200 0.136 0.000 0.891 640 S HN 0.434 nan 8.310 nan 0.000 0.442 641 F N 2.038 121.941 119.950 -0.078 0.000 2.102 641 F HA -0.131 3.679 4.527 -1.194 0.000 0.298 641 F C 2.690 178.435 175.800 -0.091 0.000 1.105 641 F CA 1.194 59.164 58.000 -0.050 0.000 1.239 641 F CB -0.815 38.182 39.000 -0.005 0.000 0.991 641 F HN 0.221 nan 8.300 nan 0.000 0.474 642 Q N -0.558 119.288 119.800 0.077 0.000 2.061 642 Q HA -0.182 3.442 4.340 -1.193 0.000 0.204 642 Q C 2.366 178.287 176.000 -0.132 0.000 0.984 642 Q CA 1.975 57.758 55.803 -0.034 0.000 0.846 642 Q CB -0.459 28.256 28.738 -0.038 0.000 0.902 642 Q HN 0.268 nan 8.270 nan 0.000 0.421 643 S N 1.056 116.591 115.700 -0.274 0.000 2.400 643 S HA -0.133 3.621 4.470 -1.193 0.000 0.232 643 S C 0.915 175.402 174.600 -0.188 0.000 1.025 643 S CA 1.317 59.328 58.200 -0.316 0.000 0.993 643 S CB -0.123 62.745 63.200 -0.554 0.000 0.808 643 S HN 0.326 nan 8.310 nan 0.000 0.478 644 D N 0.457 120.760 120.400 -0.161 0.000 2.328 644 D HA 0.175 4.099 4.640 -1.193 0.000 0.221 644 D C 0.014 176.253 176.300 -0.102 0.000 1.072 644 D CA 0.117 54.038 54.000 -0.131 0.000 0.850 644 D CB -0.074 40.628 40.800 -0.162 0.000 0.922 644 D HN 0.133 nan 8.370 nan 0.000 0.516 645 K N -0.653 119.697 120.400 -0.083 0.000 3.071 645 K HA -0.142 3.462 4.320 -1.193 0.000 0.262 645 K C -0.798 175.773 176.600 -0.049 0.000 0.977 645 K CA 0.247 56.498 56.287 -0.061 0.000 0.721 645 K CB -1.744 30.719 32.500 -0.061 0.000 1.293 645 K HN 0.025 nan 8.250 nan 0.000 0.475 646 V N 1.002 120.899 119.914 -0.028 0.000 2.370 646 V HA 0.178 3.582 4.120 -1.193 0.000 0.283 646 V C 0.759 176.937 176.094 0.139 0.000 1.023 646 V CA -0.816 61.495 62.300 0.018 0.000 0.857 646 V CB 1.816 33.568 31.823 -0.118 0.000 0.985 646 V HN 0.330 nan 8.190 nan 0.000 0.443 647 T N 6.665 121.253 114.554 0.057 0.000 2.905 647 T HA 0.318 3.952 4.350 -1.193 0.000 0.299 647 T C -0.233 174.540 174.700 0.121 0.000 1.024 647 T CA 0.986 63.047 62.100 -0.065 0.000 1.151 647 T CB -0.003 68.669 68.868 -0.326 0.000 0.987 647 T HN 0.581 nan 8.240 nan 0.000 0.535 648 I N 2.558 123.149 120.570 0.035 0.000 2.908 648 I HA 0.614 4.068 4.170 -1.193 0.000 0.300 648 I C -1.469 174.690 176.117 0.070 0.000 1.385 648 I CA -0.974 60.386 61.300 0.101 0.000 1.004 648 I CB 1.938 39.920 38.000 -0.030 0.000 1.309 648 I HN 0.435 nan 8.210 nan 0.000 0.449 649 V N 5.295 125.312 119.914 0.171 0.000 2.604 649 V HA 0.485 3.889 4.120 -1.193 0.000 0.305 649 V C -1.023 175.128 176.094 0.096 0.000 1.043 649 V CA -0.272 62.119 62.300 0.152 0.000 0.888 649 V CB 2.153 34.145 31.823 0.282 0.000 0.995 649 V HN 0.879 nan 8.190 nan 0.000 0.429 650 D N 3.880 124.315 120.400 0.059 0.000 2.358 650 D HA 0.170 4.093 4.640 -1.193 0.000 0.244 650 D C 1.232 177.537 176.300 0.007 0.000 1.163 650 D CA 0.086 54.106 54.000 0.034 0.000 0.945 650 D CB 0.474 41.263 40.800 -0.018 0.000 1.152 650 D HN 0.730 nan 8.370 nan 0.000 0.451 651 H N -0.013 118.985 119.070 -0.119 0.000 2.457 651 H HA -0.129 3.711 4.556 -1.194 0.000 0.294 651 H C 1.002 176.236 175.328 -0.156 0.000 1.064 651 H CA 1.250 57.198 56.048 -0.166 0.000 1.330 651 H CB -0.591 29.021 29.762 -0.250 0.000 1.395 651 H HN 0.522 nan 8.280 nan 0.000 0.541 652 H N 0.792 119.676 119.070 -0.310 0.000 2.299 652 H HA -0.071 3.769 4.556 -1.193 0.000 0.302 652 H C 2.468 177.779 175.328 -0.029 0.000 1.078 652 H CA 1.506 57.459 56.048 -0.157 0.000 1.323 652 H CB -0.236 29.404 29.762 -0.205 0.000 1.381 652 H HN 0.408 nan 8.280 nan 0.000 0.498 653 S N 0.575 116.334 115.700 0.098 0.000 2.383 653 S HA -0.093 3.660 4.470 -1.193 0.000 0.227 653 S C 2.399 177.073 174.600 0.123 0.000 1.026 653 S CA 1.061 59.321 58.200 0.099 0.000 0.981 653 S CB -0.263 62.985 63.200 0.081 0.000 0.818 653 S HN 0.456 nan 8.310 nan 0.000 0.472 654 A N 0.953 123.847 122.820 0.123 0.000 1.902 654 A HA -0.061 3.543 4.320 -1.193 0.000 0.217 654 A C 2.493 180.182 177.584 0.174 0.000 1.181 654 A CA 2.325 54.455 52.037 0.154 0.000 0.623 654 A CB -1.603 17.478 19.000 0.135 0.000 0.818 654 A HN 0.787 nan 8.150 nan 0.000 0.443 655 T N -2.304 112.337 114.554 0.145 0.000 2.857 655 T HA -0.116 3.518 4.350 -1.193 0.000 0.266 655 T C 1.767 176.600 174.700 0.222 0.000 1.048 655 T CA 1.344 63.552 62.100 0.181 0.000 1.139 655 T CB -0.353 68.590 68.868 0.124 0.000 0.874 655 T HN 0.579 nan 8.240 nan 0.000 0.455 656 E N 1.233 121.537 120.200 0.173 0.000 2.058 656 E HA -0.171 3.463 4.350 -1.193 0.000 0.194 656 E C 2.360 179.052 176.600 0.153 0.000 0.997 656 E CA 1.522 58.012 56.400 0.149 0.000 0.801 656 E CB -0.288 29.481 29.700 0.115 0.000 0.746 656 E HN 0.549 nan 8.360 nan 0.000 0.450 657 S N 0.169 115.968 115.700 0.165 0.000 2.370 657 S HA -0.162 3.592 4.470 -1.193 0.000 0.226 657 S C 1.512 176.237 174.600 0.207 0.000 1.033 657 S CA 1.186 59.485 58.200 0.165 0.000 1.011 657 S CB -0.453 62.847 63.200 0.167 0.000 0.852 657 S HN 0.383 nan 8.310 nan 0.000 0.457 658 F N 2.258 122.281 119.950 0.122 0.000 2.171 658 F HA -0.080 3.731 4.527 -1.193 0.000 0.300 658 F C 1.815 177.712 175.800 0.162 0.000 1.090 658 F CA 0.934 59.027 58.000 0.155 0.000 1.293 658 F CB -0.213 38.860 39.000 0.122 0.000 1.013 658 F HN 0.085 nan 8.300 nan 0.000 0.486 659 I N 0.727 121.374 120.570 0.129 0.000 2.179 659 I HA -0.303 3.151 4.170 -1.193 0.000 0.242 659 I C 2.452 178.543 176.117 -0.043 0.000 1.088 659 I CA 1.458 62.774 61.300 0.026 0.000 1.357 659 I CB -1.389 36.678 38.000 0.110 0.000 1.051 659 I HN 0.211 nan 8.210 nan 0.000 0.409 660 K N -0.013 120.397 120.400 0.016 0.000 2.063 660 K HA -0.279 3.325 4.320 -1.193 0.000 0.208 660 K C 2.332 178.930 176.600 -0.005 0.000 1.048 660 K CA 1.820 58.116 56.287 0.016 0.000 0.928 660 K CB -0.241 32.290 32.500 0.053 0.000 0.713 660 K HN 0.301 nan 8.250 nan 0.000 0.442 661 H N 0.515 119.512 119.070 -0.121 0.000 2.319 661 H HA -0.076 3.765 4.556 -1.193 0.000 0.299 661 H C 2.050 177.241 175.328 -0.228 0.000 1.092 661 H CA 2.334 58.284 56.048 -0.163 0.000 1.302 661 H CB -0.147 29.503 29.762 -0.186 0.000 1.373 661 H HN 0.130 nan 8.280 nan 0.000 0.497 662 M N 0.116 119.401 119.600 -0.525 0.000 2.082 662 M HA -0.210 3.554 4.480 -1.193 0.000 0.258 662 M C 2.215 178.454 176.300 -0.101 0.000 1.069 662 M CA 2.232 57.303 55.300 -0.382 0.000 1.102 662 M CB -0.216 32.199 32.600 -0.310 0.000 1.336 662 M HN 0.473 nan 8.290 nan 0.000 0.404 663 E N -0.047 120.091 120.200 -0.104 0.000 2.058 663 E HA -0.200 3.434 4.350 -1.193 0.000 0.194 663 E C 1.731 178.321 176.600 -0.016 0.000 0.997 663 E CA 1.195 57.573 56.400 -0.037 0.000 0.801 663 E CB -0.280 29.393 29.700 -0.044 0.000 0.746 663 E HN 0.484 nan 8.360 nan 0.000 0.450 664 N N 0.987 119.650 118.700 -0.063 0.000 2.061 664 N HA -0.178 3.846 4.740 -1.193 0.000 0.193 664 N C 1.672 177.132 175.510 -0.084 0.000 1.030 664 N CA 1.072 54.092 53.050 -0.050 0.000 0.856 664 N CB -0.233 38.243 38.487 -0.019 0.000 1.023 664 N HN 0.187 nan 8.380 nan 0.000 0.424 665 E N -0.104 119.971 120.200 -0.208 0.000 2.110 665 E HA -0.133 3.500 4.350 -1.193 0.000 0.193 665 E C 1.952 178.425 176.600 -0.212 0.000 0.988 665 E CA 0.736 56.974 56.400 -0.270 0.000 0.804 665 E CB -0.389 29.021 29.700 -0.482 0.000 0.745 665 E HN 0.509 nan 8.360 nan 0.000 0.458 666 Y N 1.569 121.774 120.300 -0.158 0.000 2.181 666 Y HA -0.175 3.659 4.550 -1.193 0.000 0.288 666 Y C 2.580 178.434 175.900 -0.077 0.000 1.146 666 Y CA 1.886 59.927 58.100 -0.099 0.000 1.164 666 Y CB -0.123 38.289 38.460 -0.080 0.000 0.982 666 Y HN 0.096 nan 8.280 nan 0.000 0.515 667 R N -1.959 118.583 120.500 0.069 0.000 2.119 667 R HA -0.037 3.587 4.340 -1.193 0.000 0.222 667 R C 1.849 178.142 176.300 -0.011 0.000 1.088 667 R CA 1.550 57.666 56.100 0.027 0.000 0.984 667 R CB -1.108 29.205 30.300 0.022 0.000 0.884 667 R HN 0.255 nan 8.270 nan 0.000 0.447 668 C N -0.214 119.066 119.300 -0.033 0.000 2.611 668 C HA 0.296 4.040 4.460 -1.193 0.000 0.282 668 C C 2.251 177.205 174.990 -0.060 0.000 1.321 668 C CA -0.081 58.918 59.018 -0.033 0.000 1.747 668 C CB -0.342 27.394 27.740 -0.008 0.000 2.124 668 C HN 0.509 nan 8.230 nan 0.000 0.531 669 R N -0.465 119.968 120.500 -0.111 0.000 2.517 669 R HA 0.242 3.866 4.340 -1.193 0.000 0.265 669 R C 1.330 177.516 176.300 -0.190 0.000 0.921 669 R CA 0.889 56.904 56.100 -0.141 0.000 1.054 669 R CB 0.512 30.705 30.300 -0.178 0.000 1.340 669 R HN 0.433 nan 8.270 nan 0.000 0.551 670 G N 0.015 108.687 108.800 -0.215 0.000 2.143 670 G HA2 -0.182 3.062 3.960 -1.193 0.000 0.249 670 G HA3 -0.182 3.062 3.960 -1.193 0.000 0.249 670 G C 0.121 174.743 174.900 -0.463 0.000 0.981 670 G CA 0.130 45.078 45.100 -0.254 0.000 0.665 670 G HN 0.780 nan 8.290 nan 0.000 0.528 671 G N -2.405 105.961 108.800 -0.724 0.000 2.313 671 G HA2 0.548 3.792 3.960 -1.193 0.000 0.296 671 G HA3 0.548 3.792 3.960 -1.193 0.000 0.296 671 G C -1.007 173.434 174.900 -0.764 0.000 1.356 671 G CA 0.334 44.717 45.100 -1.196 0.000 0.833 671 G HN 1.797 nan 8.290 nan 0.000 0.552 672 C N 2.199 121.196 119.300 -0.506 0.000 2.789 672 C HA 0.689 4.433 4.460 -1.193 0.000 0.367 672 C C -2.564 172.356 174.990 -0.117 0.000 1.062 672 C CA -1.202 57.685 59.018 -0.218 0.000 1.297 672 C CB 1.003 28.645 27.740 -0.163 0.000 1.794 672 C HN 0.667 nan 8.230 nan 0.000 0.474 673 P HA 0.445 nan 4.420 nan 0.000 0.271 673 P C -0.694 176.502 177.300 -0.174 0.000 1.220 673 P CA 0.487 63.201 63.100 -0.643 0.000 0.768 673 P CB 1.262 32.365 31.700 -0.995 0.000 0.848 674 A N 2.357 125.146 122.820 -0.053 0.000 2.517 674 A HA 0.435 4.039 4.320 -1.193 0.000 0.297 674 A C -1.283 176.367 177.584 0.110 0.000 1.050 674 A CA -0.529 51.578 52.037 0.117 0.000 0.694 674 A CB 1.327 20.536 19.000 0.349 0.000 1.277 674 A HN 0.453 nan 8.150 nan 0.000 0.400 675 D N 1.888 122.347 120.400 0.099 0.000 2.454 675 D HA 0.162 4.086 4.640 -1.193 0.000 0.225 675 D C 0.714 177.166 176.300 0.252 0.000 1.081 675 D CA -0.517 53.575 54.000 0.153 0.000 0.864 675 D CB 0.424 41.264 40.800 0.065 0.000 1.040 675 D HN 0.607 nan 8.370 nan 0.000 0.517 676 W N 4.061 125.412 121.300 0.084 0.000 2.342 676 W HA -0.232 3.712 4.660 -1.193 0.000 0.297 676 W C 1.535 178.098 176.519 0.074 0.000 1.213 676 W CA 1.016 58.397 57.345 0.059 0.000 1.251 676 W CB 0.126 29.597 29.460 0.018 0.000 1.136 676 W HN 0.291 nan 8.180 nan 0.000 0.526 677 V N -0.140 120.099 119.914 0.541 0.000 2.469 677 V HA -0.323 3.081 4.120 -1.193 0.000 0.251 677 V C 1.558 177.741 176.094 0.148 0.000 1.064 677 V CA 2.166 64.711 62.300 0.407 0.000 1.066 677 V CB -0.907 31.166 31.823 0.417 0.000 0.667 677 V HN 0.323 nan 8.190 nan 0.000 0.461 678 W N -1.433 119.866 121.300 -0.001 0.000 2.630 678 W HA 0.198 4.141 4.660 -1.195 0.000 0.271 678 W C 2.200 178.626 176.519 -0.154 0.000 1.244 678 W CA 0.015 57.326 57.345 -0.056 0.000 1.353 678 W CB -0.216 29.235 29.460 -0.015 0.000 1.080 678 W HN 0.076 nan 8.180 nan 0.000 0.594 679 I N 0.012 120.568 120.570 -0.024 0.000 2.286 679 I HA -0.093 3.361 4.170 -1.193 0.000 0.245 679 I C 0.691 176.620 176.117 -0.313 0.000 1.104 679 I CA 0.811 61.967 61.300 -0.240 0.000 1.397 679 I CB -1.601 36.179 38.000 -0.367 0.000 1.072 679 I HN -0.398 nan 8.210 nan 0.000 0.417 680 V N 4.061 123.693 119.914 -0.469 0.000 2.485 680 V HA 0.055 3.459 4.120 -1.193 0.000 0.287 680 V C -1.851 174.063 176.094 -0.299 0.000 1.022 680 V CA -0.984 61.017 62.300 -0.497 0.000 1.067 680 V CB -0.088 31.158 31.823 -0.961 0.000 0.967 680 V HN 0.135 nan 8.190 nan 0.000 0.479 681 P HA 0.116 nan 4.420 nan 0.000 0.269 681 P C -1.860 175.314 177.300 -0.211 0.000 1.217 681 P CA -1.086 61.895 63.100 -0.199 0.000 0.783 681 P CB 0.013 31.601 31.700 -0.187 0.000 0.898 682 P HA 0.021 nan 4.420 nan 0.000 0.245 682 P C -0.023 177.165 177.300 -0.188 0.000 1.212 682 P CA 1.053 64.035 63.100 -0.195 0.000 0.774 682 P CB 0.044 31.626 31.700 -0.197 0.000 0.999 683 M N -4.759 114.695 119.600 -0.243 0.000 2.550 683 M HA 0.562 4.326 4.480 -1.193 0.000 0.292 683 M C -0.129 176.066 176.300 -0.174 0.000 1.221 683 M CA -0.685 54.490 55.300 -0.209 0.000 0.873 683 M CB 2.010 34.464 32.600 -0.244 0.000 1.727 683 M HN -0.380 nan 8.290 nan 0.000 0.459 684 S N 0.394 116.041 115.700 -0.088 0.000 3.521 684 S HA -0.181 3.573 4.470 -1.193 0.000 0.328 684 S C 1.135 175.711 174.600 -0.041 0.000 1.165 684 S CA 0.887 59.074 58.200 -0.021 0.000 0.941 684 S CB -1.964 61.297 63.200 0.100 0.000 0.951 684 S HN 1.228 nan 8.310 nan 0.000 0.539 685 G N 2.216 110.962 108.800 -0.090 0.000 2.681 685 G HA2 -0.364 2.880 3.960 -1.193 0.000 0.220 685 G HA3 -0.364 2.880 3.960 -1.193 0.000 0.220 685 G C 1.462 176.251 174.900 -0.185 0.000 1.210 685 G CA 1.758 46.814 45.100 -0.073 0.000 0.783 685 G HN 1.333 nan 8.290 nan 0.000 0.609 686 S N 0.673 116.005 115.700 -0.612 0.000 2.555 686 S HA 0.047 3.801 4.470 -1.193 0.000 0.230 686 S C 2.135 176.689 174.600 -0.077 0.000 0.978 686 S CA 0.954 58.641 58.200 -0.855 0.000 0.934 686 S CB -0.382 62.089 63.200 -1.215 0.000 0.766 686 S HN 0.795 nan 8.310 nan 0.000 0.533 687 I N 0.716 121.292 120.570 0.009 0.000 3.793 687 I HA 0.237 3.691 4.170 -1.193 0.000 0.315 687 I C 0.456 176.706 176.117 0.222 0.000 1.275 687 I CA -0.209 61.173 61.300 0.136 0.000 1.214 687 I CB -0.565 37.508 38.000 0.122 0.000 1.018 687 I HN 0.225 nan 8.210 nan 0.000 0.439 688 T N -1.631 113.051 114.554 0.214 0.000 2.902 688 T HA 0.469 4.103 4.350 -1.193 0.000 0.283 688 T C -1.605 173.273 174.700 0.297 0.000 1.009 688 T CA -1.907 60.332 62.100 0.233 0.000 1.051 688 T CB 1.699 70.656 68.868 0.148 0.000 0.999 688 T HN -0.094 nan 8.240 nan 0.000 0.474 689 P HA -0.056 nan 4.420 nan 0.000 0.221 689 P C 1.850 179.353 177.300 0.339 0.000 1.150 689 P CA 0.871 64.160 63.100 0.314 0.000 0.800 689 P CB -0.367 31.462 31.700 0.214 0.000 0.787 690 V N -3.486 116.577 119.914 0.248 0.000 2.594 690 V HA -0.218 3.186 4.120 -1.193 0.000 0.253 690 V C 2.335 178.519 176.094 0.150 0.000 1.069 690 V CA 1.292 63.703 62.300 0.184 0.000 1.082 690 V CB -2.280 29.578 31.823 0.058 0.000 0.680 690 V HN -0.116 nan 8.190 nan 0.000 0.469 691 F N 1.845 121.794 119.950 -0.001 0.000 2.154 691 F HA -0.196 3.615 4.527 -1.194 0.000 0.301 691 F C 2.450 178.379 175.800 0.215 0.000 1.087 691 F CA 2.371 60.374 58.000 0.005 0.000 1.274 691 F CB -0.268 38.618 39.000 -0.189 0.000 1.009 691 F HN 0.297 nan 8.300 nan 0.000 0.485 692 H N -1.217 118.159 119.070 0.511 0.000 2.539 692 H HA 0.113 3.953 4.556 -1.193 0.000 0.269 692 H C 0.250 175.816 175.328 0.397 0.000 0.980 692 H CA 0.141 56.453 56.048 0.441 0.000 1.152 692 H CB -0.088 29.924 29.762 0.416 0.000 1.407 692 H HN 0.241 nan 8.280 nan 0.000 0.564 693 Q N 2.059 122.129 119.800 0.449 0.000 2.340 693 Q HA 0.145 3.769 4.340 -1.193 0.000 0.259 693 Q C -0.601 175.622 176.000 0.371 0.000 0.964 693 Q CA -0.393 55.623 55.803 0.355 0.000 0.900 693 Q CB 0.685 29.603 28.738 0.301 0.000 1.228 693 Q HN 0.230 nan 8.270 nan 0.000 0.449 694 E N 3.514 123.883 120.200 0.283 0.000 2.413 694 E HA 0.168 3.802 4.350 -1.193 0.000 0.263 694 E C -0.513 176.214 176.600 0.212 0.000 1.015 694 E CA 0.467 56.993 56.400 0.211 0.000 0.916 694 E CB 0.715 30.523 29.700 0.179 0.000 0.947 694 E HN 0.594 nan 8.360 nan 0.000 0.440 695 M N 2.548 122.284 119.600 0.226 0.000 2.518 695 M HA 0.398 4.162 4.480 -1.193 0.000 0.300 695 M C -1.037 175.381 176.300 0.197 0.000 1.175 695 M CA -0.686 54.763 55.300 0.248 0.000 0.890 695 M CB 1.729 34.526 32.600 0.329 0.000 1.710 695 M HN 0.240 nan 8.290 nan 0.000 0.453 696 L N 1.825 123.181 121.223 0.221 0.000 2.322 696 L HA 0.503 4.127 4.340 -1.193 0.000 0.281 696 L C -0.438 176.532 176.870 0.166 0.000 1.014 696 L CA -0.399 54.574 54.840 0.223 0.000 0.815 696 L CB 1.545 43.787 42.059 0.306 0.000 1.247 696 L HN 0.699 nan 8.230 nan 0.000 0.421 697 N N 2.945 121.728 118.700 0.139 0.000 2.408 697 N HA 0.542 4.566 4.740 -1.193 0.000 0.280 697 N C -1.703 173.877 175.510 0.118 0.000 1.002 697 N CA -0.391 52.670 53.050 0.019 0.000 0.907 697 N CB 1.291 39.805 38.487 0.045 0.000 1.161 697 N HN 0.490 nan 8.380 nan 0.000 0.488 698 Y N 0.114 120.437 120.300 0.039 0.000 2.656 698 Y HA 0.478 4.312 4.550 -1.193 0.000 0.334 698 Y C -1.374 174.535 175.900 0.015 0.000 1.179 698 Y CA -1.331 56.788 58.100 0.030 0.000 1.050 698 Y CB 0.842 39.331 38.460 0.048 0.000 1.308 698 Y HN 0.187 nan 8.280 nan 0.000 0.456 699 R N 2.538 123.147 120.500 0.182 0.000 2.246 699 R HA 0.600 4.224 4.340 -1.193 0.000 0.332 699 R C -1.403 174.960 176.300 0.104 0.000 0.974 699 R CA -0.588 55.558 56.100 0.076 0.000 0.837 699 R CB 1.348 31.678 30.300 0.051 0.000 1.145 699 R HN 0.700 nan 8.270 nan 0.000 0.467 700 L N 0.928 122.187 121.223 0.061 0.000 2.334 700 L HA 0.540 4.164 4.340 -1.193 0.000 0.270 700 L C 0.508 177.386 176.870 0.013 0.000 1.018 700 L CA -0.752 54.124 54.840 0.060 0.000 0.811 700 L CB 2.093 44.189 42.059 0.062 0.000 1.271 700 L HN 0.396 nan 8.230 nan 0.000 0.443 701 T N 1.250 115.821 114.554 0.028 0.000 2.887 701 T HA 0.528 4.162 4.350 -1.193 0.000 0.288 701 T C -2.594 172.145 174.700 0.065 0.000 1.021 701 T CA -1.685 60.425 62.100 0.018 0.000 1.000 701 T CB 1.872 70.756 68.868 0.027 0.000 1.034 701 T HN 0.227 nan 8.240 nan 0.000 0.467 702 P HA 0.267 nan 4.420 nan 0.000 0.268 702 P C -1.159 176.047 177.300 -0.157 0.000 1.208 702 P CA -0.153 62.908 63.100 -0.065 0.000 0.777 702 P CB 0.495 32.146 31.700 -0.083 0.000 0.875 703 S N 0.268 115.824 115.700 -0.239 0.000 2.607 703 S HA 0.664 4.418 4.470 -1.193 0.000 0.273 703 S C -1.210 173.131 174.600 -0.430 0.000 1.148 703 S CA -0.847 57.186 58.200 -0.279 0.000 0.833 703 S CB 0.765 63.887 63.200 -0.129 0.000 1.130 703 S HN 0.132 nan 8.310 nan 0.000 0.470 704 F N 1.293 121.160 119.950 -0.139 0.000 2.408 704 F HA 0.607 4.417 4.527 -1.194 0.000 0.344 704 F C 0.912 176.583 175.800 -0.215 0.000 1.112 704 F CA -0.292 57.611 58.000 -0.163 0.000 1.096 704 F CB 1.223 40.090 39.000 -0.222 0.000 1.129 704 F HN 0.478 nan 8.300 nan 0.000 0.486 705 E N 2.001 122.188 120.200 -0.020 0.000 2.336 705 E HA 0.281 3.915 4.350 -1.193 0.000 0.267 705 E C -1.277 175.216 176.600 -0.178 0.000 0.906 705 E CA -0.939 55.377 56.400 -0.141 0.000 0.781 705 E CB 2.022 31.701 29.700 -0.034 0.000 1.261 705 E HN 0.453 nan 8.360 nan 0.000 0.436 706 Y N 0.878 121.193 120.300 0.024 0.000 2.314 706 Y HA 0.150 3.983 4.550 -1.195 0.000 0.334 706 Y C 1.128 177.018 175.900 -0.016 0.000 1.266 706 Y CA -0.034 58.067 58.100 0.001 0.000 1.391 706 Y CB 0.801 39.251 38.460 -0.017 0.000 1.306 706 Y HN 0.289 nan 8.280 nan 0.000 0.558 707 Q N 0.476 120.357 119.800 0.135 0.000 2.501 707 Q HA 0.583 4.207 4.340 -1.193 0.000 0.288 707 Q C -3.068 172.895 176.000 -0.060 0.000 1.051 707 Q CA -2.504 53.311 55.803 0.021 0.000 0.788 707 Q CB 1.451 30.183 28.738 -0.009 0.000 1.469 707 Q HN 0.306 nan 8.270 nan 0.000 0.416 708 P HA 0.046 nan 4.420 nan 0.000 0.265 708 P C -0.967 176.117 177.300 -0.360 0.000 1.187 708 P CA 0.123 63.103 63.100 -0.201 0.000 0.766 708 P CB 0.305 31.898 31.700 -0.178 0.000 0.820 709 D N 4.477 124.563 120.400 -0.523 0.000 2.487 709 D HA -0.042 3.882 4.640 -1.193 0.000 0.243 709 D C -1.077 174.558 176.300 -1.110 0.000 1.154 709 D CA -0.867 52.527 54.000 -1.009 0.000 0.876 709 D CB 0.394 40.315 40.800 -1.466 0.000 1.161 709 D HN 0.252 nan 8.370 nan 0.000 0.478 710 P HA -0.157 nan 4.420 nan 0.000 0.218 710 P C 1.471 178.234 177.300 -0.896 0.000 1.148 710 P CA 1.178 63.654 63.100 -1.041 0.000 0.822 710 P CB -0.137 30.605 31.700 -1.597 0.000 0.784 711 W N 0.973 121.794 121.300 -0.798 0.000 2.374 711 W HA -0.018 3.923 4.660 -1.200 0.000 0.288 711 W C 1.190 177.702 176.519 -0.012 0.000 1.218 711 W CA 0.713 57.898 57.345 -0.267 0.000 1.245 711 W CB -2.394 27.088 29.460 0.038 0.000 1.126 711 W HN -0.157 nan 8.180 nan 0.000 0.545 712 N N 0.193 118.826 118.700 -0.111 0.000 2.521 712 N HA -0.002 4.022 4.740 -1.193 0.000 0.188 712 N C 0.795 176.287 175.510 -0.031 0.000 1.146 712 N CA 1.497 54.545 53.050 -0.003 0.000 0.893 712 N CB 0.098 38.528 38.487 -0.094 0.000 0.975 712 N HN 0.339 nan 8.380 nan 0.000 0.451 713 T N -1.763 112.747 114.554 -0.073 0.000 3.313 713 T HA -0.020 3.613 4.350 -1.193 0.000 0.266 713 T C 0.075 174.761 174.700 -0.023 0.000 0.987 713 T CA -0.294 61.766 62.100 -0.066 0.000 1.086 713 T CB 0.050 68.838 68.868 -0.135 0.000 1.159 713 T HN 0.177 nan 8.240 nan 0.000 0.450 714 H N 3.815 122.786 119.070 -0.166 0.000 3.125 714 H HA 0.248 4.090 4.556 -1.189 0.000 0.310 714 H C -0.215 174.981 175.328 -0.221 0.000 0.980 714 H CA -0.301 55.619 56.048 -0.213 0.000 1.422 714 H CB 0.164 29.756 29.762 -0.282 0.000 1.432 714 H HN 0.051 nan 8.280 nan 0.000 0.577 715 V N 4.736 124.272 119.914 -0.630 0.000 2.389 715 V HA 0.145 3.549 4.120 -1.193 0.000 0.264 715 V C 0.286 175.906 176.094 -0.790 0.000 1.049 715 V CA -1.055 60.958 62.300 -0.479 0.000 0.932 715 V CB -0.622 31.082 31.823 -0.197 0.000 1.011 715 V HN 0.634 nan 8.190 nan 0.000 0.475 716 W N 0.000 121.089 121.300 -0.352 0.000 2.388 716 W HA 0.000 3.938 4.660 -1.203 0.000 0.303 716 W CA 0.000 57.237 57.345 -0.181 0.000 1.226 716 W CB 0.000 29.454 29.460 -0.010 0.000 1.126 716 W HN 0.000 nan 8.180 nan 0.000 0.535