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 3nlp_1_A DATA FIRST_RESID 299 DATA SEQUENCE RFLKVKNWET DVVLTDTLHL KSTLETGCTE HICMGSIVLP 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 MGTEIGVRNY 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 0.000 176.634 176.300 0.557 0.000 0.893 299 R CA 0.000 56.269 56.100 0.281 0.000 0.921 299 R CB 0.000 30.395 30.300 0.158 0.000 0.687 300 F N 2.139 122.157 119.950 0.113 0.000 2.397 300 F HA 0.633 4.211 4.527 -1.582 0.000 0.331 300 F C -0.190 175.660 175.800 0.084 0.000 1.090 300 F CA -0.977 57.103 58.000 0.134 0.000 1.065 300 F CB 1.515 40.551 39.000 0.061 0.000 1.184 300 F HN -0.032 nan 8.300 nan 0.000 0.499 301 L N 2.687 124.039 121.223 0.215 0.000 2.431 301 L HA 0.470 3.861 4.340 -1.583 0.000 0.266 301 L C -0.677 176.238 176.870 0.075 0.000 0.978 301 L CA -0.867 54.015 54.840 0.069 0.000 0.822 301 L CB 2.614 44.604 42.059 -0.115 0.000 1.310 301 L HN 0.481 nan 8.230 nan 0.000 0.409 302 K N 1.916 122.345 120.400 0.049 0.000 2.138 302 K HA 0.694 4.064 4.320 -1.583 0.000 0.263 302 K C -0.928 175.669 176.600 -0.005 0.000 0.965 302 K CA -0.695 55.604 56.287 0.019 0.000 0.868 302 K CB 2.396 34.898 32.500 0.002 0.000 1.083 302 K HN 0.391 nan 8.250 nan 0.000 0.443 303 V N -0.706 119.173 119.914 -0.057 0.000 2.604 303 V HA 0.538 3.708 4.120 -1.583 0.000 0.305 303 V C -0.706 175.306 176.094 -0.136 0.000 1.043 303 V CA -0.936 61.325 62.300 -0.066 0.000 0.888 303 V CB 1.520 33.305 31.823 -0.062 0.000 0.995 303 V HN 0.691 nan 8.190 nan 0.000 0.429 304 K N 3.452 123.773 120.400 -0.132 0.000 2.221 304 K HA 0.416 3.786 4.320 -1.583 0.000 0.258 304 K C -0.692 175.774 176.600 -0.223 0.000 0.944 304 K CA -0.667 55.440 56.287 -0.300 0.000 0.823 304 K CB 1.462 33.588 32.500 -0.624 0.000 1.113 304 K HN 0.916 nan 8.250 nan 0.000 0.431 305 N N 3.845 122.427 118.700 -0.197 0.000 2.422 305 N HA 0.080 3.871 4.740 -1.583 0.000 0.266 305 N C -0.400 175.063 175.510 -0.078 0.000 1.007 305 N CA -0.255 52.782 53.050 -0.022 0.000 0.941 305 N CB 0.513 39.012 38.487 0.020 0.000 1.115 305 N HN 0.646 nan 8.380 nan 0.000 0.492 306 W N 2.051 123.428 121.300 0.127 0.000 3.256 306 W HA 0.221 3.932 4.660 -1.583 0.000 0.269 306 W C 1.892 178.466 176.519 0.092 0.000 1.310 306 W CA -0.329 57.085 57.345 0.115 0.000 1.673 306 W CB 0.497 30.046 29.460 0.148 0.000 1.115 306 W HN 0.637 nan 8.180 nan 0.000 0.686 307 E N -0.392 119.939 120.200 0.219 0.000 2.244 307 E HA -0.080 3.320 4.350 -1.583 0.000 0.196 307 E C 1.818 178.434 176.600 0.025 0.000 0.939 307 E CA 1.560 57.986 56.400 0.044 0.000 0.884 307 E CB 0.277 29.925 29.700 -0.086 0.000 0.850 307 E HN 0.213 nan 8.360 nan 0.000 0.481 308 T N -2.571 111.997 114.554 0.023 0.000 3.023 308 T HA 0.108 3.508 4.350 -1.583 0.000 0.253 308 T C 0.384 175.058 174.700 -0.043 0.000 1.038 308 T CA 0.377 62.472 62.100 -0.009 0.000 0.962 308 T CB 0.342 69.206 68.868 -0.006 0.000 1.018 308 T HN -0.040 nan 8.240 nan 0.000 0.521 309 D N 0.191 120.541 120.400 -0.082 0.000 3.006 309 D HA -0.127 3.563 4.640 -1.583 0.000 0.208 309 D C -0.101 176.104 176.300 -0.158 0.000 1.116 309 D CA 0.541 54.447 54.000 -0.157 0.000 0.998 309 D CB -1.903 38.830 40.800 -0.113 0.000 1.124 309 D HN 0.449 nan 8.370 nan 0.000 0.413 310 V N 1.039 120.881 119.914 -0.121 0.000 2.529 310 V HA 0.124 3.294 4.120 -1.583 0.000 0.292 310 V C 0.871 176.870 176.094 -0.159 0.000 1.028 310 V CA 0.004 62.234 62.300 -0.116 0.000 1.074 310 V CB 1.447 33.220 31.823 -0.084 0.000 0.958 310 V HN -0.048 nan 8.190 nan 0.000 0.481 311 V N 7.396 127.219 119.914 -0.152 0.000 2.459 311 V HA 0.523 3.693 4.120 -1.583 0.000 0.295 311 V C -0.085 175.914 176.094 -0.157 0.000 1.029 311 V CA -0.517 61.684 62.300 -0.165 0.000 0.874 311 V CB 1.609 33.346 31.823 -0.143 0.000 0.985 311 V HN 0.621 nan 8.190 nan 0.000 0.438 312 L N 3.393 124.485 121.223 -0.218 0.000 2.354 312 L HA 0.660 4.050 4.340 -1.583 0.000 0.269 312 L C -0.042 176.760 176.870 -0.113 0.000 1.005 312 L CA -0.428 54.259 54.840 -0.255 0.000 0.819 312 L CB 2.496 44.137 42.059 -0.697 0.000 1.311 312 L HN 0.529 nan 8.230 nan 0.000 0.423 313 T N 0.319 114.904 114.554 0.052 0.000 2.758 313 T HA 0.212 3.612 4.350 -1.583 0.000 0.285 313 T C -0.784 174.053 174.700 0.228 0.000 0.981 313 T CA -0.422 61.748 62.100 0.116 0.000 0.965 313 T CB 1.212 70.129 68.868 0.081 0.000 0.927 313 T HN 0.428 nan 8.240 nan 0.000 0.448 314 D N 2.203 122.736 120.400 0.221 0.000 2.233 314 D HA 0.258 3.949 4.640 -1.583 0.000 0.240 314 D C 0.754 177.043 176.300 -0.020 0.000 1.074 314 D CA -0.352 53.751 54.000 0.173 0.000 0.838 314 D CB 1.622 42.596 40.800 0.289 0.000 1.124 314 D HN 0.624 nan 8.370 nan 0.000 0.475 315 T N 0.947 115.372 114.554 -0.215 0.000 2.959 315 T HA -0.023 3.377 4.350 -1.583 0.000 0.254 315 T C 1.812 176.276 174.700 -0.393 0.000 1.003 315 T CA -0.254 61.584 62.100 -0.438 0.000 0.950 315 T CB 0.109 68.590 68.868 -0.646 0.000 1.090 315 T HN 0.238 nan 8.240 nan 0.000 0.503 316 L N 3.116 124.179 121.223 -0.267 0.000 2.191 316 L HA -0.080 3.311 4.340 -1.583 0.000 0.212 316 L C 2.573 179.241 176.870 -0.338 0.000 1.103 316 L CA 1.781 56.488 54.840 -0.221 0.000 0.769 316 L CB -0.829 41.169 42.059 -0.101 0.000 0.908 316 L HN 0.580 nan 8.230 nan 0.000 0.438 317 H N -1.195 117.491 119.070 -0.639 0.000 2.456 317 H HA -0.132 3.475 4.556 -1.583 0.000 0.296 317 H C 1.843 176.885 175.328 -0.476 0.000 1.079 317 H CA 1.492 56.899 56.048 -1.069 0.000 1.322 317 H CB -0.657 28.416 29.762 -1.148 0.000 1.388 317 H HN 0.440 nan 8.280 nan 0.000 0.538 318 L N 0.603 121.271 121.223 -0.925 0.000 2.551 318 L HA -0.052 3.339 4.340 -1.583 0.000 0.228 318 L C 2.434 179.141 176.870 -0.271 0.000 1.153 318 L CA 0.686 55.197 54.840 -0.548 0.000 0.851 318 L CB -0.133 41.637 42.059 -0.481 0.000 0.959 318 L HN 0.185 nan 8.230 nan 0.000 0.451 319 K N -0.093 120.168 120.400 -0.233 0.000 2.116 319 K HA -0.006 3.364 4.320 -1.583 0.000 0.203 319 K C 1.243 177.810 176.600 -0.055 0.000 1.052 319 K CA 0.521 56.740 56.287 -0.113 0.000 0.952 319 K CB -0.065 32.387 32.500 -0.080 0.000 0.729 319 K HN 0.288 nan 8.250 nan 0.000 0.446 320 S N 1.046 116.723 115.700 -0.038 0.000 2.571 320 S HA -0.082 3.438 4.470 -1.583 0.000 0.298 320 S C 0.786 175.401 174.600 0.026 0.000 1.280 320 S CA 0.496 58.724 58.200 0.046 0.000 1.052 320 S CB 0.673 63.945 63.200 0.119 0.000 0.799 320 S HN 0.291 nan 8.310 nan 0.000 0.501 321 T N 3.880 118.458 114.554 0.039 0.000 3.138 321 T HA 0.264 3.665 4.350 -1.583 0.000 0.245 321 T C 0.854 175.574 174.700 0.034 0.000 0.982 321 T CA -0.371 61.745 62.100 0.028 0.000 1.134 321 T CB -0.424 68.457 68.868 0.022 0.000 1.032 321 T HN 0.562 nan 8.240 nan 0.000 0.442 322 L N 1.909 123.154 121.223 0.037 0.000 2.503 322 L HA 0.187 3.577 4.340 -1.583 0.000 0.287 322 L C 0.351 177.248 176.870 0.044 0.000 1.252 322 L CA 0.182 55.042 54.840 0.034 0.000 0.835 322 L CB 0.097 42.171 42.059 0.026 0.000 1.099 322 L HN 0.274 nan 8.230 nan 0.000 0.516 323 E N -0.860 119.363 120.200 0.039 0.000 2.214 323 E HA 0.161 3.562 4.350 -1.583 0.000 0.274 323 E C 0.533 177.161 176.600 0.047 0.000 0.977 323 E CA -0.130 56.296 56.400 0.044 0.000 0.827 323 E CB 1.491 31.213 29.700 0.037 0.000 1.130 323 E HN 0.670 nan 8.360 nan 0.000 0.394 324 T N -0.860 113.727 114.554 0.055 0.000 3.054 324 T HA 0.189 3.590 4.350 -1.583 0.000 0.259 324 T C 1.479 176.210 174.700 0.052 0.000 1.092 324 T CA 0.364 62.498 62.100 0.057 0.000 1.121 324 T CB 0.094 69.004 68.868 0.070 0.000 0.912 324 T HN 0.752 nan 8.240 nan 0.000 0.489 325 G N 0.466 109.296 108.800 0.049 0.000 2.258 325 G HA2 -0.268 2.742 3.960 -1.583 0.000 0.233 325 G HA3 -0.268 2.742 3.960 -1.583 0.000 0.233 325 G C 0.374 175.304 174.900 0.051 0.000 1.006 325 G CA -0.162 44.968 45.100 0.050 0.000 0.620 325 G HN 0.743 nan 8.290 nan 0.000 0.511 326 C N 1.831 121.161 119.300 0.051 0.000 2.595 326 C HA 0.784 4.295 4.460 -1.583 0.000 0.384 326 C C 1.206 176.222 174.990 0.042 0.000 1.289 326 C CA 0.662 59.709 59.018 0.047 0.000 2.372 326 C CB 0.803 28.570 27.740 0.045 0.000 2.593 326 C HN 0.997 nan 8.230 nan 0.000 0.639 327 T N -1.119 113.460 114.554 0.041 0.000 2.773 327 T HA 0.397 3.797 4.350 -1.583 0.000 0.278 327 T C 0.453 175.150 174.700 -0.005 0.000 1.011 327 T CA -0.488 61.630 62.100 0.030 0.000 1.014 327 T CB 0.944 69.849 68.868 0.061 0.000 1.293 327 T HN 0.537 nan 8.240 nan 0.000 0.554 328 E N -0.218 119.940 120.200 -0.071 0.000 2.204 328 E HA -0.060 3.341 4.350 -1.583 0.000 0.194 328 E C 1.712 178.199 176.600 -0.187 0.000 0.989 328 E CA 1.199 57.500 56.400 -0.165 0.000 0.824 328 E CB -0.215 29.313 29.700 -0.286 0.000 0.756 328 E HN 0.564 nan 8.360 nan 0.000 0.477 329 H N -1.028 118.049 119.070 0.012 0.000 2.525 329 H HA 0.357 3.964 4.556 -1.583 0.000 0.275 329 H C 0.205 175.539 175.328 0.010 0.000 0.984 329 H CA 0.414 56.468 56.048 0.010 0.000 1.264 329 H CB 0.759 30.527 29.762 0.010 0.000 1.432 329 H HN 0.109 nan 8.280 nan 0.000 0.549 330 I N 0.167 120.805 120.570 0.112 0.000 2.680 330 I HA 0.134 3.354 4.170 -1.583 0.000 0.291 330 I C -1.198 174.949 176.117 0.050 0.000 1.244 330 I CA -0.609 60.735 61.300 0.074 0.000 1.042 330 I CB 2.002 40.047 38.000 0.075 0.000 1.277 330 I HN -0.022 nan 8.210 nan 0.000 0.423 331 C N 7.668 126.991 119.300 0.038 0.000 2.307 331 C HA 0.533 4.043 4.460 -1.583 0.000 0.340 331 C C 0.827 175.842 174.990 0.043 0.000 1.275 331 C CA -0.444 58.595 59.018 0.034 0.000 1.811 331 C CB 0.321 28.072 27.740 0.019 0.000 2.372 331 C HN 0.833 nan 8.230 nan 0.000 0.531 332 M N 4.843 124.475 119.600 0.052 0.000 2.673 332 M HA 0.189 3.720 4.480 -1.583 0.000 0.334 332 M C 1.836 178.185 176.300 0.081 0.000 1.211 332 M CA 0.047 55.385 55.300 0.063 0.000 0.962 332 M CB 0.130 32.767 32.600 0.062 0.000 1.343 332 M HN 1.008 nan 8.290 nan 0.000 0.511 333 G N 1.151 109.998 108.800 0.079 0.000 2.485 333 G HA2 -0.224 2.786 3.960 -1.583 0.000 0.221 333 G HA3 -0.224 2.786 3.960 -1.583 0.000 0.221 333 G C 1.410 176.404 174.900 0.156 0.000 1.115 333 G CA 1.526 46.690 45.100 0.106 0.000 0.751 333 G HN 0.582 nan 8.290 nan 0.000 0.567 334 S N -0.332 115.449 115.700 0.135 0.000 2.557 334 S HA 0.378 3.898 4.470 -1.583 0.000 0.223 334 S C 0.629 175.328 174.600 0.164 0.000 0.969 334 S CA -0.678 57.618 58.200 0.161 0.000 0.927 334 S CB 0.115 63.381 63.200 0.109 0.000 0.806 334 S HN 0.049 nan 8.310 nan 0.000 0.489 335 I N 2.582 123.241 120.570 0.148 0.000 2.496 335 I HA 0.144 3.365 4.170 -1.583 0.000 0.285 335 I C 1.652 177.886 176.117 0.194 0.000 1.080 335 I CA -0.143 61.239 61.300 0.137 0.000 1.404 335 I CB 0.808 38.867 38.000 0.098 0.000 1.403 335 I HN 0.019 nan 8.210 nan 0.000 0.539 336 V N 7.148 127.182 119.914 0.201 0.000 2.358 336 V HA -0.146 3.024 4.120 -1.583 0.000 0.246 336 V C 0.944 177.141 176.094 0.171 0.000 1.047 336 V CA 1.474 63.932 62.300 0.264 0.000 1.035 336 V CB -0.423 31.536 31.823 0.226 0.000 0.658 336 V HN 0.574 nan 8.190 nan 0.000 0.452 337 L N 1.652 122.938 121.223 0.104 0.000 2.454 337 L HA 0.500 3.890 4.340 -1.583 0.000 0.258 337 L C -2.385 174.533 176.870 0.081 0.000 1.025 337 L CA -1.259 53.638 54.840 0.095 0.000 0.901 337 L CB 0.760 42.835 42.059 0.027 0.000 1.210 337 L HN 0.153 nan 8.230 nan 0.000 0.457 351 K N 0.091 120.510 120.400 0.031 0.000 2.097 351 K HA -0.067 3.304 4.320 -1.583 0.000 0.206 351 K C 1.174 177.808 176.600 0.058 0.000 1.049 351 K CA 1.779 58.091 56.287 0.041 0.000 0.933 351 K CB -0.262 32.250 32.500 0.021 0.000 0.717 351 K HN 0.488 nan 8.250 nan 0.000 0.442 352 D N 0.767 121.195 120.400 0.047 0.000 2.224 352 D HA -0.107 3.584 4.640 -1.583 0.000 0.205 352 D C 1.800 178.143 176.300 0.072 0.000 0.965 352 D CA 1.030 55.064 54.000 0.057 0.000 0.852 352 D CB 0.062 40.884 40.800 0.037 0.000 0.947 352 D HN 0.206 nan 8.370 nan 0.000 0.494 353 Q N -0.433 119.403 119.800 0.060 0.000 2.187 353 Q HA -0.016 3.374 4.340 -1.583 0.000 0.199 353 Q C 1.887 177.931 176.000 0.073 0.000 0.957 353 Q CA 0.369 56.205 55.803 0.056 0.000 0.857 353 Q CB 0.092 28.853 28.738 0.038 0.000 0.929 353 Q HN 0.156 nan 8.270 nan 0.000 0.453 354 L N -0.528 120.755 121.223 0.100 0.000 2.072 354 L HA -0.056 3.334 4.340 -1.583 0.000 0.205 354 L C 1.818 178.780 176.870 0.154 0.000 1.079 354 L CA 1.497 56.416 54.840 0.132 0.000 0.752 354 L CB -0.498 41.657 42.059 0.160 0.000 0.906 354 L HN 0.148 nan 8.230 nan 0.000 0.436 355 F N 1.692 121.647 119.950 0.007 0.000 2.134 355 F HA -0.046 3.531 4.527 -1.583 0.000 0.299 355 F C -0.552 175.244 175.800 -0.006 0.000 1.097 355 F CA 1.247 59.231 58.000 -0.025 0.000 1.264 355 F CB -1.576 37.400 39.000 -0.040 0.000 1.001 355 F HN 0.179 nan 8.300 nan 0.000 0.479 356 P HA -0.177 nan 4.420 nan 0.000 0.217 356 P C 2.157 179.381 177.300 -0.127 0.000 1.150 356 P CA 1.637 64.653 63.100 -0.140 0.000 0.832 356 P CB -0.208 31.480 31.700 -0.020 0.000 0.787 357 L N -0.517 120.679 121.223 -0.046 0.000 2.046 357 L HA -0.156 3.234 4.340 -1.583 0.000 0.208 357 L C 2.775 179.660 176.870 0.026 0.000 1.077 357 L CA 1.725 56.572 54.840 0.010 0.000 0.747 357 L CB -1.287 40.799 42.059 0.044 0.000 0.896 357 L HN -0.054 nan 8.230 nan 0.000 0.432 358 A N 0.147 122.940 122.820 -0.044 0.000 1.877 358 A HA -0.263 3.108 4.320 -1.583 0.000 0.216 358 A C 2.386 179.902 177.584 -0.115 0.000 1.186 358 A CA 2.050 54.053 52.037 -0.057 0.000 0.620 358 A CB -0.476 18.331 19.000 -0.322 0.000 0.822 358 A HN 0.330 nan 8.150 nan 0.000 0.443 359 K N -0.285 119.872 120.400 -0.405 0.000 2.032 359 K HA -0.214 3.156 4.320 -1.583 0.000 0.209 359 K C 2.152 178.697 176.600 -0.092 0.000 1.048 359 K CA 1.716 57.785 56.287 -0.364 0.000 0.927 359 K CB -0.194 31.952 32.500 -0.591 0.000 0.712 359 K HN 0.589 nan 8.250 nan 0.000 0.441 360 E N -0.123 120.051 120.200 -0.044 0.000 2.051 360 E HA -0.223 3.178 4.350 -1.583 0.000 0.192 360 E C 1.937 178.604 176.600 0.112 0.000 0.991 360 E CA 1.326 57.750 56.400 0.041 0.000 0.799 360 E CB -0.234 29.490 29.700 0.040 0.000 0.748 360 E HN 0.374 nan 8.360 nan 0.000 0.449 361 F N 1.594 121.558 119.950 0.024 0.000 2.069 361 F HA -0.205 3.373 4.527 -1.581 0.000 0.298 361 F C 2.135 177.990 175.800 0.093 0.000 1.113 361 F CA 1.552 59.596 58.000 0.074 0.000 1.214 361 F CB -0.393 38.664 39.000 0.095 0.000 0.978 361 F HN -0.011 nan 8.300 nan 0.000 0.474 362 L N -0.029 121.180 121.223 -0.023 0.000 2.131 362 L HA -0.217 3.173 4.340 -1.583 0.000 0.210 362 L C 2.120 178.970 176.870 -0.034 0.000 1.092 362 L CA 1.312 56.130 54.840 -0.037 0.000 0.759 362 L CB -0.894 41.263 42.059 0.163 0.000 0.903 362 L HN 0.121 nan 8.230 nan 0.000 0.435 363 D N 0.022 120.431 120.400 0.014 0.000 2.097 363 D HA -0.219 3.472 4.640 -1.583 0.000 0.195 363 D C 2.310 178.629 176.300 0.032 0.000 0.989 363 D CA 1.518 55.560 54.000 0.069 0.000 0.827 363 D CB -0.192 40.757 40.800 0.249 0.000 0.966 363 D HN 0.538 nan 8.370 nan 0.000 0.456 364 Q N -0.638 119.126 119.800 -0.061 0.000 2.123 364 Q HA -0.195 3.196 4.340 -1.583 0.000 0.199 364 Q C 2.174 177.983 176.000 -0.318 0.000 0.966 364 Q CA 0.924 56.662 55.803 -0.108 0.000 0.845 364 Q CB -0.741 27.974 28.738 -0.039 0.000 0.907 364 Q HN 0.352 nan 8.270 nan 0.000 0.439 365 Y N 1.022 120.875 120.300 -0.744 0.000 2.053 365 Y HA -0.309 3.292 4.550 -1.582 0.000 0.277 365 Y C 1.755 177.181 175.900 -0.791 0.000 1.159 365 Y CA 1.729 59.125 58.100 -1.173 0.000 1.125 365 Y CB -0.600 37.074 38.460 -1.309 0.000 0.969 365 Y HN 0.073 nan 8.280 nan 0.000 0.492 366 Y N -0.789 119.088 120.300 -0.705 0.000 2.352 366 Y HA -0.186 3.414 4.550 -1.583 0.000 0.292 366 Y C 3.040 178.688 175.900 -0.421 0.000 1.136 366 Y CA 1.653 59.348 58.100 -0.676 0.000 1.227 366 Y CB -0.580 37.364 38.460 -0.860 0.000 0.991 366 Y HN 0.247 nan 8.280 nan 0.000 0.545 367 S N -0.680 114.947 115.700 -0.122 0.000 2.387 367 S HA -0.172 3.349 4.470 -1.583 0.000 0.226 367 S C 2.318 176.826 174.600 -0.153 0.000 1.026 367 S CA 1.286 59.473 58.200 -0.022 0.000 0.972 367 S CB -0.608 62.593 63.200 0.002 0.000 0.814 367 S HN 0.551 nan 8.310 nan 0.000 0.477 368 S N 1.833 117.371 115.700 -0.270 0.000 2.447 368 S HA -0.019 3.501 4.470 -1.583 0.000 0.233 368 S C 1.596 176.042 174.600 -0.258 0.000 1.006 368 S CA 0.924 58.997 58.200 -0.212 0.000 0.957 368 S CB -0.909 62.196 63.200 -0.158 0.000 0.773 368 S HN 0.819 nan 8.310 nan 0.000 0.507 369 I N -2.591 117.722 120.570 -0.430 0.000 3.891 369 I HA 0.431 3.652 4.170 -1.583 0.000 0.331 369 I C -0.082 175.915 176.117 -0.201 0.000 1.406 369 I CA -0.653 60.431 61.300 -0.360 0.000 1.139 369 I CB -0.450 37.198 38.000 -0.586 0.000 1.056 369 I HN -0.009 nan 8.210 nan 0.000 0.399 370 K N 2.016 122.333 120.400 -0.137 0.000 3.096 370 K HA -0.165 3.205 4.320 -1.583 0.000 0.266 370 K C 0.154 176.748 176.600 -0.009 0.000 1.043 370 K CA 0.598 56.853 56.287 -0.053 0.000 0.758 370 K CB -1.317 31.158 32.500 -0.041 0.000 1.260 370 K HN 0.624 nan 8.250 nan 0.000 0.481 371 R N 0.006 120.514 120.500 0.012 0.000 2.616 371 R HA 0.128 3.519 4.340 -1.583 0.000 0.427 371 R C -0.151 176.230 176.300 0.135 0.000 1.030 371 R CA -0.421 55.732 56.100 0.088 0.000 1.133 371 R CB 0.312 30.693 30.300 0.135 0.000 1.444 371 R HN 0.129 nan 8.270 nan 0.000 0.578 372 F N 1.382 121.326 119.950 -0.011 0.000 2.608 372 F HA 0.122 3.700 4.527 -1.583 0.000 0.380 372 F C 1.495 177.380 175.800 0.143 0.000 1.083 372 F CA 1.884 59.903 58.000 0.031 0.000 1.266 372 F CB 0.735 39.722 39.000 -0.022 0.000 1.076 372 F HN 0.462 nan 8.300 nan 0.000 0.574 373 G N 3.316 112.029 108.800 -0.145 0.000 2.166 373 G HA2 -0.303 2.707 3.960 -1.583 0.000 0.260 373 G HA3 -0.303 2.707 3.960 -1.583 0.000 0.260 373 G C 0.195 175.048 174.900 -0.078 0.000 0.986 373 G CA 0.448 45.457 45.100 -0.152 0.000 0.683 373 G HN 1.144 nan 8.290 nan 0.000 0.527 374 S N -1.090 114.591 115.700 -0.032 0.000 2.632 374 S HA 0.582 4.102 4.470 -1.583 0.000 0.267 374 S C 1.294 175.839 174.600 -0.091 0.000 1.276 374 S CA 0.344 58.526 58.200 -0.031 0.000 0.998 374 S CB 1.998 65.212 63.200 0.022 0.000 0.953 374 S HN 0.383 nan 8.310 nan 0.000 0.547 375 K N 0.808 121.167 120.400 -0.067 0.000 2.063 375 K HA -0.146 3.225 4.320 -1.583 0.000 0.208 375 K C 2.260 178.799 176.600 -0.102 0.000 1.048 375 K CA 1.406 57.642 56.287 -0.086 0.000 0.928 375 K CB -0.882 31.587 32.500 -0.052 0.000 0.713 375 K HN 0.787 nan 8.250 nan 0.000 0.442 376 A N 0.494 123.281 122.820 -0.054 0.000 1.940 376 A HA -0.251 3.119 4.320 -1.583 0.000 0.219 376 A C 2.013 179.445 177.584 -0.253 0.000 1.176 376 A CA 1.868 53.888 52.037 -0.028 0.000 0.631 376 A CB -0.934 18.136 19.000 0.117 0.000 0.814 376 A HN 0.632 nan 8.150 nan 0.000 0.446 377 H N -1.110 117.572 119.070 -0.646 0.000 2.270 377 H HA -0.138 3.469 4.556 -1.583 0.000 0.299 377 H C 2.073 176.998 175.328 -0.672 0.000 1.077 377 H CA 1.627 56.933 56.048 -1.237 0.000 1.294 377 H CB -0.101 29.109 29.762 -0.919 0.000 1.371 377 H HN 0.344 nan 8.280 nan 0.000 0.491 378 M N 0.914 120.217 119.600 -0.496 0.000 2.108 378 M HA -0.160 3.371 4.480 -1.583 0.000 0.261 378 M C 1.763 177.917 176.300 -0.243 0.000 1.066 378 M CA 1.152 56.198 55.300 -0.423 0.000 1.107 378 M CB -0.856 31.556 32.600 -0.313 0.000 1.356 378 M HN 0.340 nan 8.290 nan 0.000 0.406 379 D N 0.057 120.351 120.400 -0.177 0.000 2.104 379 D HA -0.177 3.513 4.640 -1.583 0.000 0.194 379 D C 2.070 178.331 176.300 -0.065 0.000 0.994 379 D CA 1.367 55.310 54.000 -0.095 0.000 0.830 379 D CB -0.327 40.439 40.800 -0.058 0.000 0.959 379 D HN 0.286 nan 8.370 nan 0.000 0.452 380 R N 0.258 120.715 120.500 -0.072 0.000 2.096 380 R HA -0.097 3.293 4.340 -1.583 0.000 0.235 380 R C 2.082 178.389 176.300 0.013 0.000 1.127 380 R CA 0.771 56.879 56.100 0.012 0.000 0.968 380 R CB -0.638 29.719 30.300 0.096 0.000 0.861 380 R HN 0.059 nan 8.270 nan 0.000 0.440 381 L N 0.975 122.170 121.223 -0.046 0.000 2.017 381 L HA -0.109 3.281 4.340 -1.583 0.000 0.208 381 L C 2.196 179.117 176.870 0.086 0.000 1.073 381 L CA 2.071 56.921 54.840 0.016 0.000 0.745 381 L CB -0.852 41.153 42.059 -0.091 0.000 0.894 381 L HN 0.283 nan 8.230 nan 0.000 0.432 382 E N -0.312 119.885 120.200 -0.004 0.000 2.051 382 E HA -0.265 3.135 4.350 -1.583 0.000 0.192 382 E C 2.197 178.776 176.600 -0.034 0.000 0.991 382 E CA 1.560 57.940 56.400 -0.034 0.000 0.799 382 E CB -0.187 29.478 29.700 -0.058 0.000 0.748 382 E HN 0.526 nan 8.360 nan 0.000 0.449 383 E N -0.609 119.585 120.200 -0.010 0.000 2.118 383 E HA -0.176 3.224 4.350 -1.583 0.000 0.195 383 E C 1.886 178.494 176.600 0.013 0.000 0.992 383 E CA 1.345 57.748 56.400 0.005 0.000 0.804 383 E CB 0.082 29.799 29.700 0.028 0.000 0.741 383 E HN 0.191 nan 8.360 nan 0.000 0.458 384 V N 1.347 121.273 119.914 0.019 0.000 2.407 384 V HA -0.204 2.966 4.120 -1.583 0.000 0.245 384 V C 2.311 178.387 176.094 -0.030 0.000 1.041 384 V CA 1.723 64.007 62.300 -0.026 0.000 1.040 384 V CB -0.671 31.062 31.823 -0.150 0.000 0.671 384 V HN 0.416 nan 8.190 nan 0.000 0.455 385 N N 0.105 118.792 118.700 -0.022 0.000 2.094 385 N HA -0.239 3.552 4.740 -1.583 0.000 0.191 385 N C 1.857 177.201 175.510 -0.278 0.000 1.023 385 N CA 1.424 54.218 53.050 -0.428 0.000 0.857 385 N CB 0.016 38.072 38.487 -0.720 0.000 1.013 385 N HN 0.475 nan 8.380 nan 0.000 0.426 386 K N 0.480 120.791 120.400 -0.149 0.000 2.167 386 K HA -0.113 3.258 4.320 -1.583 0.000 0.203 386 K C 1.812 178.381 176.600 -0.052 0.000 1.052 386 K CA 0.679 56.906 56.287 -0.100 0.000 0.956 386 K CB -0.003 32.458 32.500 -0.067 0.000 0.735 386 K HN 0.306 nan 8.250 nan 0.000 0.451 387 E N 1.154 121.344 120.200 -0.016 0.000 2.107 387 E HA -0.116 3.285 4.350 -1.583 0.000 0.191 387 E C 1.851 178.478 176.600 0.045 0.000 0.982 387 E CA 0.623 57.044 56.400 0.035 0.000 0.809 387 E CB 0.104 29.859 29.700 0.093 0.000 0.756 387 E HN 0.195 nan 8.360 nan 0.000 0.459 388 I N 1.196 121.783 120.570 0.028 0.000 2.163 388 I HA -0.214 3.006 4.170 -1.583 0.000 0.240 388 I C 2.394 178.505 176.117 -0.009 0.000 1.081 388 I CA 0.879 62.204 61.300 0.042 0.000 1.353 388 I CB -0.248 37.781 38.000 0.049 0.000 1.054 388 I HN 0.076 nan 8.210 nan 0.000 0.407 389 E N 0.747 120.906 120.200 -0.068 0.000 2.147 389 E HA -0.242 3.158 4.350 -1.583 0.000 0.199 389 E C 2.280 178.857 176.600 -0.039 0.000 1.005 389 E CA 2.074 58.430 56.400 -0.073 0.000 0.810 389 E CB -0.157 29.475 29.700 -0.112 0.000 0.736 389 E HN 0.603 nan 8.360 nan 0.000 0.460 390 S N -1.009 114.676 115.700 -0.024 0.000 2.527 390 S HA -0.015 3.505 4.470 -1.583 0.000 0.227 390 S C 1.943 176.543 174.600 0.000 0.000 1.059 390 S CA 0.792 58.985 58.200 -0.013 0.000 0.919 390 S CB 0.116 63.309 63.200 -0.012 0.000 0.805 390 S HN 0.216 nan 8.310 nan 0.000 0.500 391 T N -0.553 114.008 114.554 0.013 0.000 3.069 391 T HA 0.266 3.667 4.350 -1.583 0.000 0.252 391 T C 1.218 175.930 174.700 0.020 0.000 1.053 391 T CA 0.876 62.987 62.100 0.019 0.000 0.964 391 T CB -0.304 68.582 68.868 0.031 0.000 1.005 391 T HN 1.214 nan 8.240 nan 0.000 0.532 392 S N -0.912 114.803 115.700 0.024 0.000 3.011 392 S HA -0.244 3.277 4.470 -1.583 0.000 0.278 392 S C 0.401 175.033 174.600 0.053 0.000 1.300 392 S CA 1.598 59.815 58.200 0.029 0.000 1.248 392 S CB -2.800 60.406 63.200 0.010 0.000 1.517 392 S HN 1.064 nan 8.310 nan 0.000 0.685 393 T N -0.146 114.452 114.554 0.073 0.000 2.590 393 T HA 0.735 4.136 4.350 -1.583 0.000 0.282 393 T C -1.426 173.410 174.700 0.226 0.000 0.989 393 T CA -0.033 62.129 62.100 0.105 0.000 1.091 393 T CB 1.368 70.229 68.868 -0.012 0.000 1.460 393 T HN 1.379 nan 8.240 nan 0.000 0.499 394 Y N -0.778 119.522 120.300 -0.000 0.000 2.713 394 Y HA 0.771 4.373 4.550 -1.581 0.000 0.335 394 Y C -1.665 174.244 175.900 0.015 0.000 1.222 394 Y CA -1.258 56.855 58.100 0.021 0.000 1.061 394 Y CB 0.926 39.418 38.460 0.054 0.000 1.314 394 Y HN 0.400 nan 8.280 nan 0.000 0.453 395 Q N 2.282 122.116 119.800 0.057 0.000 2.312 395 Q HA 0.492 3.882 4.340 -1.583 0.000 0.263 395 Q C -1.035 175.002 176.000 0.062 0.000 0.995 395 Q CA -0.810 54.977 55.803 -0.027 0.000 0.853 395 Q CB 2.819 31.576 28.738 0.032 0.000 1.300 395 Q HN 0.808 nan 8.270 nan 0.000 0.448 396 L N 2.385 123.606 121.223 -0.003 0.000 2.349 396 L HA 0.217 3.607 4.340 -1.583 0.000 0.275 396 L C 0.688 177.591 176.870 0.054 0.000 1.115 396 L CA -0.589 54.294 54.840 0.072 0.000 0.820 396 L CB 0.350 42.424 42.059 0.025 0.000 1.135 396 L HN 0.177 nan 8.230 nan 0.000 0.445 397 K N 1.930 122.366 120.400 0.059 0.000 2.414 397 K HA -0.017 3.353 4.320 -1.583 0.000 0.272 397 K C 0.569 177.159 176.600 -0.017 0.000 0.993 397 K CA -0.103 56.196 56.287 0.019 0.000 0.964 397 K CB 0.522 33.027 32.500 0.007 0.000 0.925 397 K HN 0.465 nan 8.250 nan 0.000 0.487 398 D N 1.037 121.427 120.400 -0.016 0.000 2.133 398 D HA -0.199 3.492 4.640 -1.583 0.000 0.192 398 D C 1.684 177.966 176.300 -0.030 0.000 1.001 398 D CA 2.486 56.468 54.000 -0.030 0.000 0.844 398 D CB -0.355 40.434 40.800 -0.018 0.000 0.944 398 D HN 0.768 nan 8.370 nan 0.000 0.447 399 T N -1.088 113.450 114.554 -0.027 0.000 2.759 399 T HA -0.185 3.216 4.350 -1.583 0.000 0.269 399 T C 1.772 176.424 174.700 -0.079 0.000 1.042 399 T CA 1.443 63.536 62.100 -0.010 0.000 1.140 399 T CB -0.396 68.490 68.868 0.029 0.000 0.864 399 T HN 0.273 nan 8.240 nan 0.000 0.455 400 E N 0.662 120.728 120.200 -0.225 0.000 2.107 400 E HA 0.089 3.489 4.350 -1.583 0.000 0.191 400 E C 2.087 178.767 176.600 0.134 0.000 0.982 400 E CA 0.672 56.958 56.400 -0.189 0.000 0.809 400 E CB -0.250 29.396 29.700 -0.090 0.000 0.756 400 E HN 0.342 nan 8.360 nan 0.000 0.459 401 L N 1.080 122.307 121.223 0.007 0.000 1.994 401 L HA -0.170 3.220 4.340 -1.583 0.000 0.208 401 L C 2.098 178.950 176.870 -0.031 0.000 1.071 401 L CA 1.539 56.334 54.840 -0.075 0.000 0.745 401 L CB -0.189 41.781 42.059 -0.147 0.000 0.892 401 L HN 0.090 nan 8.230 nan 0.000 0.431 402 I N -1.614 118.963 120.570 0.012 0.000 2.127 402 I HA -0.372 2.849 4.170 -1.583 0.000 0.241 402 I C 2.394 178.613 176.117 0.171 0.000 1.075 402 I CA 1.956 63.284 61.300 0.046 0.000 1.334 402 I CB -0.531 37.492 38.000 0.039 0.000 1.040 402 I HN 0.368 nan 8.210 nan 0.000 0.405 403 Y N 1.596 121.984 120.300 0.147 0.000 2.128 403 Y HA -0.247 3.353 4.550 -1.583 0.000 0.284 403 Y C 2.397 178.501 175.900 0.340 0.000 1.154 403 Y CA 1.798 60.072 58.100 0.288 0.000 1.149 403 Y CB -0.823 37.812 38.460 0.291 0.000 0.976 403 Y HN 0.110 nan 8.280 nan 0.000 0.505 404 G N -0.161 108.880 108.800 0.401 0.000 2.446 404 G HA2 -0.299 2.711 3.960 -1.583 0.000 0.217 404 G HA3 -0.299 2.711 3.960 -1.583 0.000 0.217 404 G C 1.814 176.707 174.900 -0.013 0.000 1.168 404 G CA 1.136 46.365 45.100 0.216 0.000 0.771 404 G HN 0.631 nan 8.290 nan 0.000 0.551 405 A N 0.614 123.408 122.820 -0.044 0.000 1.902 405 A HA -0.011 3.359 4.320 -1.583 0.000 0.217 405 A C 2.311 179.927 177.584 0.054 0.000 1.181 405 A CA 2.013 54.007 52.037 -0.073 0.000 0.623 405 A CB -0.354 18.609 19.000 -0.063 0.000 0.818 405 A HN 0.382 nan 8.150 nan 0.000 0.443 406 K N -1.573 118.905 120.400 0.129 0.000 2.097 406 K HA -0.131 3.239 4.320 -1.583 0.000 0.205 406 K C 1.923 178.597 176.600 0.123 0.000 1.050 406 K CA 1.587 58.028 56.287 0.256 0.000 0.938 406 K CB -0.246 32.433 32.500 0.298 0.000 0.718 406 K HN 0.653 nan 8.250 nan 0.000 0.442 407 H N -0.223 118.774 119.070 -0.123 0.000 2.428 407 H HA 0.050 3.656 4.556 -1.583 0.000 0.296 407 H C 1.837 177.033 175.328 -0.221 0.000 1.062 407 H CA 1.124 56.985 56.048 -0.311 0.000 1.350 407 H CB 0.029 29.492 29.762 -0.499 0.000 1.403 407 H HN 0.232 nan 8.280 nan 0.000 0.533 408 A N 0.374 123.110 122.820 -0.141 0.000 1.933 408 A HA -0.208 3.163 4.320 -1.583 0.000 0.218 408 A C 2.008 179.578 177.584 -0.024 0.000 1.175 408 A CA 1.473 53.300 52.037 -0.350 0.000 0.628 408 A CB -0.882 17.511 19.000 -1.012 0.000 0.814 408 A HN 0.603 nan 8.150 nan 0.000 0.444 409 W N 0.836 122.130 121.300 -0.010 0.000 2.379 409 W HA -0.087 3.626 4.660 -1.579 0.000 0.307 409 W C 2.327 178.808 176.519 -0.064 0.000 1.200 409 W CA 1.365 58.755 57.345 0.075 0.000 1.297 409 W CB -0.710 28.783 29.460 0.055 0.000 1.140 409 W HN 0.363 nan 8.180 nan 0.000 0.507 410 R N 0.332 120.747 120.500 -0.142 0.000 2.139 410 R HA -0.198 3.193 4.340 -1.583 0.000 0.243 410 R C 1.405 177.515 176.300 -0.317 0.000 1.145 410 R CA 1.870 57.640 56.100 -0.550 0.000 0.976 410 R CB -0.459 29.102 30.300 -1.231 0.000 0.866 410 R HN 0.103 nan 8.270 nan 0.000 0.449 411 N N 0.002 118.593 118.700 -0.182 0.000 2.353 411 N HA 0.044 3.834 4.740 -1.583 0.000 0.185 411 N C -0.430 175.040 175.510 -0.066 0.000 1.098 411 N CA 0.561 53.532 53.050 -0.131 0.000 0.872 411 N CB 0.667 39.086 38.487 -0.114 0.000 0.970 411 N HN 0.141 nan 8.380 nan 0.000 0.467 412 A N 1.202 124.038 122.820 0.027 0.000 2.541 412 A HA 0.145 3.516 4.320 -1.583 0.000 0.293 412 A C 1.447 179.035 177.584 0.008 0.000 1.307 412 A CA -0.103 51.964 52.037 0.049 0.000 0.978 412 A CB -0.260 18.836 19.000 0.159 0.000 1.111 412 A HN 0.274 nan 8.150 nan 0.000 0.535 413 S N 2.687 118.348 115.700 -0.064 0.000 2.474 413 S HA -0.131 3.390 4.470 -1.583 0.000 0.235 413 S C 1.441 176.015 174.600 -0.044 0.000 0.997 413 S CA 0.969 59.132 58.200 -0.062 0.000 0.949 413 S CB -0.189 62.936 63.200 -0.125 0.000 0.766 413 S HN 0.755 nan 8.310 nan 0.000 0.517 414 R N -0.331 120.115 120.500 -0.091 0.000 2.317 414 R HA 0.261 3.651 4.340 -1.583 0.000 0.208 414 R C 0.105 176.414 176.300 0.015 0.000 0.914 414 R CA 0.025 56.084 56.100 -0.068 0.000 1.060 414 R CB -0.143 29.966 30.300 -0.318 0.000 1.015 414 R HN 0.431 nan 8.270 nan 0.000 0.498 415 C N 0.471 119.781 119.300 0.017 0.000 2.255 415 C HA 0.242 3.752 4.460 -1.583 0.000 0.326 415 C C 1.903 176.888 174.990 -0.009 0.000 1.258 415 C CA -0.711 58.345 59.018 0.063 0.000 1.676 415 C CB 0.660 28.511 27.740 0.186 0.000 2.314 415 C HN 0.269 nan 8.230 nan 0.000 0.509 416 V N 5.823 125.681 119.914 -0.092 0.000 3.041 416 V HA 0.158 3.329 4.120 -1.583 0.000 0.260 416 V C 1.857 178.015 176.094 0.106 0.000 1.105 416 V CA 2.321 64.491 62.300 -0.217 0.000 1.125 416 V CB -0.153 31.551 31.823 -0.199 0.000 0.730 416 V HN 1.076 nan 8.190 nan 0.000 0.479 417 G N -0.790 108.090 108.800 0.134 0.000 3.314 417 G HA2 0.038 3.049 3.960 -1.583 0.000 0.238 417 G HA3 0.038 3.049 3.960 -1.583 0.000 0.238 417 G C 1.241 176.175 174.900 0.057 0.000 1.184 417 G CA -0.335 44.846 45.100 0.134 0.000 0.806 417 G HN 0.437 nan 8.290 nan 0.000 0.536 418 R N -0.202 120.277 120.500 -0.036 0.000 2.316 418 R HA 0.147 3.537 4.340 -1.583 0.000 0.202 418 R C 2.049 177.813 176.300 -0.893 0.000 1.029 418 R CA 0.030 55.820 56.100 -0.517 0.000 1.018 418 R CB -0.163 29.960 30.300 -0.295 0.000 0.888 418 R HN 0.461 nan 8.270 nan 0.000 0.471 419 I N 0.996 121.152 120.570 -0.691 0.000 2.530 419 I HA -0.287 2.934 4.170 -1.583 0.000 0.257 419 I C 1.290 177.183 176.117 -0.374 0.000 1.179 419 I CA 1.416 62.401 61.300 -0.525 0.000 1.440 419 I CB 0.174 38.109 38.000 -0.108 0.000 1.087 419 I HN 0.200 nan 8.210 nan 0.000 0.440 420 Q N 0.392 119.918 119.800 -0.457 0.000 2.360 420 Q HA -0.078 3.313 4.340 -1.583 0.000 0.202 420 Q C 1.576 177.057 176.000 -0.864 0.000 0.915 420 Q CA 0.376 55.916 55.803 -0.437 0.000 0.943 420 Q CB -0.145 28.510 28.738 -0.139 0.000 1.064 420 Q HN 0.808 nan 8.270 nan 0.000 0.511 421 W N 0.947 121.528 121.300 -1.198 0.000 2.350 421 W HA -0.175 3.534 4.660 -1.584 0.000 0.289 421 W C 1.356 177.544 176.519 -0.552 0.000 1.215 421 W CA 1.455 57.945 57.345 -1.424 0.000 1.236 421 W CB -1.122 27.678 29.460 -1.099 0.000 1.130 421 W HN 0.159 nan 8.180 nan 0.000 0.541 422 S N 0.939 115.686 115.700 -1.588 0.000 2.522 422 S HA -0.002 3.519 4.470 -1.583 0.000 0.227 422 S C 0.703 174.985 174.600 -0.530 0.000 0.986 422 S CA 0.302 57.698 58.200 -1.340 0.000 0.929 422 S CB -0.451 61.831 63.200 -1.530 0.000 0.769 422 S HN 0.254 nan 8.310 nan 0.000 0.529 423 K N 1.369 121.570 120.400 -0.332 0.000 2.360 423 K HA 0.501 3.872 4.320 -1.583 0.000 0.235 423 K C -1.381 175.281 176.600 0.103 0.000 1.077 423 K CA -0.344 55.889 56.287 -0.089 0.000 1.035 423 K CB 1.029 33.504 32.500 -0.041 0.000 1.623 423 K HN 0.237 nan 8.250 nan 0.000 0.462 424 L N 1.871 123.150 121.223 0.094 0.000 2.406 424 L HA 0.310 3.700 4.340 -1.583 0.000 0.272 424 L C -1.102 175.755 176.870 -0.023 0.000 0.980 424 L CA -0.586 54.343 54.840 0.148 0.000 0.831 424 L CB 1.809 44.031 42.059 0.272 0.000 1.253 424 L HN 0.309 nan 8.230 nan 0.000 0.406 425 Q N 3.283 123.024 119.800 -0.098 0.000 2.293 425 Q HA 0.486 3.877 4.340 -1.583 0.000 0.263 425 Q C -1.505 174.167 176.000 -0.547 0.000 1.002 425 Q CA 0.029 55.618 55.803 -0.357 0.000 0.910 425 Q CB 1.105 29.570 28.738 -0.455 0.000 1.185 425 Q HN 0.541 nan 8.270 nan 0.000 0.401 426 V N 6.139 125.731 119.914 -0.535 0.000 2.370 426 V HA 0.420 3.591 4.120 -1.583 0.000 0.283 426 V C -0.740 175.007 176.094 -0.578 0.000 1.023 426 V CA -0.579 61.459 62.300 -0.436 0.000 0.857 426 V CB 0.572 32.256 31.823 -0.230 0.000 0.985 426 V HN 0.635 nan 8.190 nan 0.000 0.443 427 F N 2.648 122.468 119.950 -0.217 0.000 2.385 427 F HA 0.393 3.975 4.527 -1.575 0.000 0.360 427 F C 0.413 176.039 175.800 -0.290 0.000 1.122 427 F CA -1.070 56.795 58.000 -0.224 0.000 1.090 427 F CB 1.123 40.000 39.000 -0.205 0.000 1.150 427 F HN 0.428 nan 8.300 nan 0.000 0.472 428 D N 3.098 123.449 120.400 -0.081 0.000 2.365 428 D HA 0.404 4.094 4.640 -1.583 0.000 0.237 428 D C 0.113 176.226 176.300 -0.312 0.000 1.190 428 D CA 0.056 53.935 54.000 -0.201 0.000 0.867 428 D CB 1.233 41.961 40.800 -0.120 0.000 1.050 428 D HN 0.613 nan 8.370 nan 0.000 0.491 429 A N 4.600 127.053 122.820 -0.612 0.000 2.637 429 A HA 0.162 3.533 4.320 -1.583 0.000 0.293 429 A C 1.631 178.924 177.584 -0.486 0.000 1.216 429 A CA -0.383 51.049 52.037 -1.009 0.000 0.956 429 A CB 0.023 17.922 19.000 -1.835 0.000 1.174 429 A HN 0.558 nan 8.150 nan 0.000 0.525 430 R N 0.632 120.965 120.500 -0.279 0.000 2.285 430 R HA -0.102 3.289 4.340 -1.583 0.000 0.213 430 R C 0.649 176.904 176.300 -0.076 0.000 1.068 430 R CA 1.278 57.285 56.100 -0.156 0.000 1.004 430 R CB 0.000 30.253 30.300 -0.079 0.000 0.873 430 R HN 0.672 nan 8.270 nan 0.000 0.467 431 D N -0.786 119.606 120.400 -0.013 0.000 2.328 431 D HA -0.054 3.637 4.640 -1.583 0.000 0.226 431 D C 0.187 176.584 176.300 0.162 0.000 1.066 431 D CA -0.249 53.799 54.000 0.080 0.000 0.861 431 D CB -0.509 40.358 40.800 0.111 0.000 0.912 431 D HN -0.008 nan 8.370 nan 0.000 0.521 432 C N 1.192 120.592 119.300 0.166 0.000 2.601 432 C HA 0.497 4.008 4.460 -1.583 0.000 0.409 432 C C 1.814 177.019 174.990 0.359 0.000 1.293 432 C CA 0.593 59.811 59.018 0.334 0.000 2.101 432 C CB 0.108 28.124 27.740 0.460 0.000 2.639 432 C HN 0.557 nan 8.230 nan 0.000 0.592 433 T N 0.375 115.163 114.554 0.389 0.000 2.969 433 T HA 0.266 3.667 4.350 -1.583 0.000 0.258 433 T C 0.332 175.204 174.700 0.286 0.000 0.962 433 T CA 0.603 62.939 62.100 0.393 0.000 0.903 433 T CB -0.112 68.903 68.868 0.245 0.000 1.177 433 T HN 0.871 nan 8.240 nan 0.000 0.511 434 T N -1.733 112.975 114.554 0.256 0.000 2.865 434 T HA 0.811 4.211 4.350 -1.583 0.000 0.294 434 T C 1.304 176.091 174.700 0.146 0.000 1.119 434 T CA -0.264 61.930 62.100 0.157 0.000 1.007 434 T CB 1.490 70.464 68.868 0.176 0.000 1.225 434 T HN 0.059 nan 8.240 nan 0.000 0.515 435 A N -0.144 122.744 122.820 0.112 0.000 1.968 435 A HA 0.023 3.394 4.320 -1.583 0.000 0.217 435 A C 1.961 179.537 177.584 -0.014 0.000 1.169 435 A CA 1.526 53.606 52.037 0.071 0.000 0.638 435 A CB -1.360 17.738 19.000 0.163 0.000 0.812 435 A HN 1.007 nan 8.150 nan 0.000 0.446 436 H N -0.567 118.576 119.070 0.121 0.000 2.321 436 H HA -0.029 5.331 4.556 1.340 0.000 0.300 436 H C 2.402 177.746 175.328 0.027 0.000 1.087 436 H CA 1.725 57.807 56.048 0.056 0.000 1.319 436 H CB -0.294 29.585 29.762 0.195 0.000 1.379 436 H HN 0.475 nan 8.280 nan 0.000 0.501 437 G N 0.296 109.225 108.800 0.214 0.000 2.491 437 G HA2 -0.336 2.675 3.960 -1.583 0.000 0.218 437 G HA3 -0.336 2.675 3.960 -1.583 0.000 0.218 437 G C 1.642 176.700 174.900 0.263 0.000 1.180 437 G CA 1.367 46.593 45.100 0.210 0.000 0.774 437 G HN 0.302 nan 8.290 nan 0.000 0.562 438 M N -0.593 119.122 119.600 0.191 0.000 2.080 438 M HA 0.008 3.539 4.480 -1.583 0.000 0.260 438 M C 2.357 178.699 176.300 0.070 0.000 1.068 438 M CA 1.466 56.816 55.300 0.083 0.000 1.109 438 M CB -0.481 31.953 32.600 -0.277 0.000 1.342 438 M HN 0.311 nan 8.290 nan 0.000 0.405 439 F N 1.352 121.102 119.950 -0.332 0.000 2.095 439 F HA -0.322 3.315 4.527 -1.483 0.000 0.298 439 F C 2.154 177.849 175.800 -0.175 0.000 1.104 439 F CA 2.085 59.813 58.000 -0.453 0.000 1.232 439 F CB -0.285 38.038 39.000 -1.128 0.000 0.987 439 F HN 0.174 nan 8.300 nan 0.000 0.475 440 N N -0.377 118.143 118.700 -0.299 0.000 2.043 440 N HA -0.274 3.516 4.740 -1.583 0.000 0.193 440 N C 1.816 177.165 175.510 -0.269 0.000 1.037 440 N CA 2.181 55.023 53.050 -0.347 0.000 0.851 440 N CB -0.815 37.545 38.487 -0.211 0.000 1.027 440 N HN 0.498 nan 8.380 nan 0.000 0.422 441 Y N 0.191 120.443 120.300 -0.081 0.000 2.207 441 Y HA -0.122 3.475 4.550 -1.588 0.000 0.287 441 Y C 2.175 178.039 175.900 -0.059 0.000 1.156 441 Y CA 1.091 59.166 58.100 -0.041 0.000 1.182 441 Y CB -0.096 38.445 38.460 0.136 0.000 0.979 441 Y HN 0.142 nan 8.280 nan 0.000 0.521 442 I N -1.628 119.012 120.570 0.116 0.000 2.286 442 I HA -0.320 2.901 4.170 -1.583 0.000 0.245 442 I C 2.280 178.343 176.117 -0.089 0.000 1.104 442 I CA 0.774 62.095 61.300 0.034 0.000 1.397 442 I CB -0.415 37.603 38.000 0.030 0.000 1.072 442 I HN 0.286 nan 8.210 nan 0.000 0.417 443 C N 0.779 119.901 119.300 -0.296 0.000 2.429 443 C HA -0.141 3.370 4.460 -1.583 0.000 0.277 443 C C 2.604 177.499 174.990 -0.158 0.000 1.262 443 C CA 0.861 59.702 59.018 -0.294 0.000 1.733 443 C CB -1.426 26.007 27.740 -0.511 0.000 2.010 443 C HN 0.547 nan 8.230 nan 0.000 0.483 444 N N -0.131 118.462 118.700 -0.178 0.000 2.188 444 N HA -0.128 3.663 4.740 -1.583 0.000 0.184 444 N C 1.430 176.857 175.510 -0.139 0.000 1.018 444 N CA 1.382 54.325 53.050 -0.179 0.000 0.858 444 N CB -0.803 37.512 38.487 -0.286 0.000 0.989 444 N HN 0.758 nan 8.380 nan 0.000 0.426 445 H N 0.373 119.311 119.070 -0.220 0.000 2.290 445 H HA -0.031 3.575 4.556 -1.583 0.000 0.298 445 H C 1.868 177.230 175.328 0.056 0.000 1.087 445 H CA 1.752 57.744 56.048 -0.092 0.000 1.291 445 H CB 0.013 29.769 29.762 -0.010 0.000 1.369 445 H HN -0.107 nan 8.280 nan 0.000 0.492 446 V N 1.029 121.098 119.914 0.259 0.000 2.324 446 V HA -0.294 2.877 4.120 -1.583 0.000 0.250 446 V C 2.505 178.683 176.094 0.139 0.000 1.060 446 V CA 2.354 64.758 62.300 0.174 0.000 1.042 446 V CB -0.547 31.301 31.823 0.042 0.000 0.650 446 V HN 0.449 nan 8.190 nan 0.000 0.450 447 K N -1.090 119.363 120.400 0.088 0.000 2.062 447 K HA -0.205 3.165 4.320 -1.583 0.000 0.205 447 K C 2.282 178.935 176.600 0.088 0.000 1.051 447 K CA 1.621 57.945 56.287 0.061 0.000 0.941 447 K CB -0.327 32.186 32.500 0.022 0.000 0.719 447 K HN 0.504 nan 8.250 nan 0.000 0.440 448 Y N 0.977 121.285 120.300 0.015 0.000 2.128 448 Y HA -0.248 3.352 4.550 -1.584 0.000 0.284 448 Y C 1.998 177.956 175.900 0.097 0.000 1.154 448 Y CA 1.971 60.105 58.100 0.057 0.000 1.149 448 Y CB -0.449 38.059 38.460 0.081 0.000 0.976 448 Y HN 0.165 nan 8.280 nan 0.000 0.505 449 A N -0.824 122.118 122.820 0.202 0.000 1.930 449 A HA -0.148 3.222 4.320 -1.583 0.000 0.217 449 A C 2.200 179.826 177.584 0.071 0.000 1.175 449 A CA 2.154 54.279 52.037 0.147 0.000 0.627 449 A CB -1.261 17.916 19.000 0.296 0.000 0.815 449 A HN 0.528 nan 8.150 nan 0.000 0.443 450 T N -0.284 114.317 114.554 0.078 0.000 2.737 450 T HA -0.101 3.299 4.350 -1.583 0.000 0.265 450 T C 1.122 175.824 174.700 0.004 0.000 1.038 450 T CA 1.297 63.436 62.100 0.064 0.000 1.144 450 T CB -0.381 68.528 68.868 0.068 0.000 0.866 450 T HN 0.623 nan 8.240 nan 0.000 0.434 451 N N 1.095 119.768 118.700 -0.044 0.000 2.721 451 N HA -0.224 3.566 4.740 -1.583 0.000 0.249 451 N C -0.357 175.125 175.510 -0.046 0.000 1.072 451 N CA 0.804 53.804 53.050 -0.083 0.000 0.710 451 N CB -1.564 36.832 38.487 -0.151 0.000 0.993 451 N HN 0.616 nan 8.380 nan 0.000 0.547 452 K N -2.752 117.634 120.400 -0.023 0.000 3.069 452 K HA -0.227 3.144 4.320 -1.583 0.000 0.267 452 K C 1.043 177.628 176.600 -0.024 0.000 1.082 452 K CA 1.037 57.312 56.287 -0.019 0.000 0.782 452 K CB -1.764 30.722 32.500 -0.023 0.000 1.230 452 K HN 0.917 nan 8.250 nan 0.000 0.488 453 G N 0.510 109.302 108.800 -0.013 0.000 2.259 453 G HA2 -0.313 2.697 3.960 -1.583 0.000 0.217 453 G HA3 -0.313 2.697 3.960 -1.583 0.000 0.217 453 G C -0.119 174.767 174.900 -0.023 0.000 1.001 453 G CA 0.077 45.169 45.100 -0.014 0.000 0.627 453 G HN 0.453 nan 8.290 nan 0.000 0.501 454 N N 1.690 120.363 118.700 -0.044 0.000 2.968 454 N HA 0.391 4.181 4.740 -1.583 0.000 0.271 454 N C 0.616 176.093 175.510 -0.056 0.000 1.174 454 N CA -0.387 52.619 53.050 -0.072 0.000 1.096 454 N CB -0.207 38.233 38.487 -0.078 0.000 1.403 454 N HN 0.363 nan 8.380 nan 0.000 0.522 455 L N 2.140 123.355 121.223 -0.012 0.000 2.461 455 L HA 0.221 3.611 4.340 -1.583 0.000 0.272 455 L C 0.593 177.577 176.870 0.190 0.000 1.197 455 L CA 0.242 55.150 54.840 0.113 0.000 0.836 455 L CB 0.412 42.633 42.059 0.270 0.000 1.105 455 L HN 0.350 nan 8.230 nan 0.000 0.477 456 R N 1.154 121.774 120.500 0.200 0.000 2.628 456 R HA 0.363 3.753 4.340 -1.583 0.000 0.288 456 R C -0.846 175.614 176.300 0.266 0.000 0.980 456 R CA -0.669 55.568 56.100 0.229 0.000 0.891 456 R CB 2.188 32.484 30.300 -0.005 0.000 1.188 456 R HN 0.559 nan 8.270 nan 0.000 0.450 457 S N 1.254 117.113 115.700 0.266 0.000 2.562 457 S HA 0.519 4.039 4.470 -1.583 0.000 0.281 457 S C -0.357 174.301 174.600 0.097 0.000 1.333 457 S CA -0.240 58.018 58.200 0.096 0.000 1.052 457 S CB 1.249 64.483 63.200 0.056 0.000 0.884 457 S HN 0.680 nan 8.310 nan 0.000 0.506 458 A N 2.512 125.347 122.820 0.024 0.000 2.604 458 A HA 0.809 4.179 4.320 -1.583 0.000 0.295 458 A C -1.247 176.351 177.584 0.023 0.000 1.067 458 A CA -0.648 51.351 52.037 -0.063 0.000 0.683 458 A CB 1.131 20.044 19.000 -0.145 0.000 1.281 458 A HN 0.803 nan 8.150 nan 0.000 0.407 459 I N 0.304 120.874 120.570 0.000 0.000 2.769 459 I HA 0.719 3.940 4.170 -1.583 0.000 0.298 459 I C -1.054 175.154 176.117 0.152 0.000 1.128 459 I CA -0.149 61.269 61.300 0.196 0.000 1.031 459 I CB 2.483 40.550 38.000 0.112 0.000 1.235 459 I HN 0.597 nan 8.210 nan 0.000 0.423 460 T N 7.514 122.200 114.554 0.220 0.000 2.812 460 T HA 0.582 3.982 4.350 -1.583 0.000 0.282 460 T C -0.521 173.996 174.700 -0.305 0.000 0.990 460 T CA -0.238 61.857 62.100 -0.008 0.000 0.960 460 T CB 1.042 69.938 68.868 0.047 0.000 0.948 460 T HN 0.305 nan 8.240 nan 0.000 0.438 461 I N 4.076 124.349 120.570 -0.495 0.000 2.390 461 I HA 0.398 3.618 4.170 -1.583 0.000 0.283 461 I C -0.467 175.272 176.117 -0.630 0.000 1.016 461 I CA -0.688 60.327 61.300 -0.474 0.000 1.151 461 I CB 0.702 38.410 38.000 -0.487 0.000 1.293 461 I HN 0.468 nan 8.210 nan 0.000 0.458 462 F N 6.686 126.551 119.950 -0.140 0.000 2.390 462 F HA 0.380 3.963 4.527 -1.573 0.000 0.307 462 F C -1.831 173.836 175.800 -0.222 0.000 1.227 462 F CA -2.127 55.720 58.000 -0.256 0.000 1.179 462 F CB -0.297 38.593 39.000 -0.185 0.000 1.280 462 F HN 0.211 nan 8.300 nan 0.000 0.548 463 P HA 0.019 nan 4.420 nan 0.000 0.267 463 P C -1.019 176.235 177.300 -0.076 0.000 1.200 463 P CA -0.272 62.669 63.100 -0.265 0.000 0.772 463 P CB 0.299 31.668 31.700 -0.551 0.000 0.855 464 Q N 2.906 122.645 119.800 -0.102 0.000 2.417 464 Q HA 0.156 3.546 4.340 -1.583 0.000 0.241 464 Q C 0.174 176.069 176.000 -0.176 0.000 1.008 464 Q CA -0.629 54.933 55.803 -0.401 0.000 0.901 464 Q CB 0.742 28.955 28.738 -0.876 0.000 1.259 464 Q HN 0.317 nan 8.270 nan 0.000 0.489 465 R N 0.573 120.974 120.500 -0.165 0.000 2.697 465 R HA -0.057 3.333 4.340 -1.583 0.000 0.265 465 R C 0.085 176.343 176.300 -0.070 0.000 1.009 465 R CA 1.366 57.435 56.100 -0.052 0.000 1.099 465 R CB 0.451 30.709 30.300 -0.070 0.000 0.965 465 R HN 0.982 nan 8.270 nan 0.000 0.428 466 T N -0.683 113.861 114.554 -0.016 0.000 3.409 466 T HA 0.037 3.438 4.350 -1.583 0.000 0.188 466 T C 0.765 175.432 174.700 -0.056 0.000 0.929 466 T CA 0.191 62.258 62.100 -0.055 0.000 1.184 466 T CB -0.328 68.496 68.868 -0.074 0.000 1.570 466 T HN 0.718 nan 8.240 nan 0.000 0.367 467 D N 0.941 121.300 120.400 -0.068 0.000 2.339 467 D HA 0.340 4.030 4.640 -1.583 0.000 0.217 467 D C 1.614 177.925 176.300 0.019 0.000 1.050 467 D CA 0.536 54.514 54.000 -0.037 0.000 0.856 467 D CB -0.514 40.245 40.800 -0.069 0.000 0.922 467 D HN 0.921 nan 8.370 nan 0.000 0.518 468 G N 0.707 109.533 108.800 0.043 0.000 2.189 468 G HA2 -0.403 2.607 3.960 -1.583 0.000 0.267 468 G HA3 -0.403 2.607 3.960 -1.583 0.000 0.267 468 G C 0.975 175.930 174.900 0.092 0.000 0.975 468 G CA 0.581 45.714 45.100 0.056 0.000 0.644 468 G HN 0.467 nan 8.290 nan 0.000 0.537 469 K N -0.691 119.814 120.400 0.175 0.000 2.358 469 K HA 0.258 3.628 4.320 -1.583 0.000 0.197 469 K C 0.649 177.380 176.600 0.219 0.000 1.025 469 K CA 0.250 56.662 56.287 0.207 0.000 1.104 469 K CB 0.317 32.965 32.500 0.247 0.000 0.855 469 K HN 0.478 nan 8.250 nan 0.000 0.531 470 H N 0.065 119.152 119.070 0.029 0.000 2.562 470 H HA 0.193 3.800 4.556 -1.581 0.000 0.249 470 H C -1.144 174.223 175.328 0.064 0.000 1.195 470 H CA -0.967 55.100 56.048 0.032 0.000 0.938 470 H CB 0.093 29.891 29.762 0.061 0.000 1.891 470 H HN -0.016 nan 8.280 nan 0.000 0.595 471 D N 0.374 120.857 120.400 0.140 0.000 2.424 471 D HA 0.035 3.725 4.640 -1.583 0.000 0.244 471 D C -0.042 176.331 176.300 0.122 0.000 1.134 471 D CA 0.224 54.322 54.000 0.164 0.000 0.881 471 D CB 0.445 41.309 40.800 0.106 0.000 1.191 471 D HN 0.087 nan 8.370 nan 0.000 0.445 472 F N 2.791 122.784 119.950 0.072 0.000 2.427 472 F HA 0.341 3.915 4.527 -1.587 0.000 0.352 472 F C 1.037 176.871 175.800 0.057 0.000 1.100 472 F CA -0.133 57.893 58.000 0.044 0.000 1.191 472 F CB 0.640 39.674 39.000 0.057 0.000 1.128 472 F HN -0.116 nan 8.300 nan 0.000 0.533 473 R N 2.284 122.884 120.500 0.168 0.000 2.604 473 R HA 0.484 3.874 4.340 -1.583 0.000 0.281 473 R C -1.676 174.752 176.300 0.213 0.000 1.020 473 R CA -0.949 55.266 56.100 0.190 0.000 0.899 473 R CB 1.868 32.279 30.300 0.184 0.000 1.205 473 R HN 0.332 nan 8.270 nan 0.000 0.450 474 V N 2.961 122.983 119.914 0.179 0.000 2.385 474 V HA 0.114 3.284 4.120 -1.583 0.000 0.269 474 V C 0.460 176.725 176.094 0.285 0.000 1.043 474 V CA -0.354 62.059 62.300 0.188 0.000 0.906 474 V CB 0.910 32.788 31.823 0.090 0.000 0.995 474 V HN 0.741 nan 8.190 nan 0.000 0.467 475 W N 2.381 123.731 121.300 0.083 0.000 2.436 475 W HA 0.030 3.756 4.660 -1.556 0.000 0.284 475 W C 1.117 177.666 176.519 0.050 0.000 1.225 475 W CA -0.279 57.196 57.345 0.217 0.000 1.271 475 W CB -0.608 29.123 29.460 0.452 0.000 1.114 475 W HN 0.528 nan 8.180 nan 0.000 0.559 476 N N 0.078 118.806 118.700 0.047 0.000 2.395 476 N HA -0.028 3.762 4.740 -1.583 0.000 0.246 476 N C 1.332 176.657 175.510 -0.309 0.000 1.246 476 N CA 1.016 53.753 53.050 -0.521 0.000 0.879 476 N CB 0.577 38.899 38.487 -0.276 0.000 1.098 476 N HN -0.079 nan 8.380 nan 0.000 0.444 477 S N 0.479 115.959 115.700 -0.366 0.000 2.446 477 S HA 0.005 3.526 4.470 -1.583 0.000 0.225 477 S C 0.264 174.756 174.600 -0.180 0.000 1.016 477 S CA 0.502 58.586 58.200 -0.194 0.000 0.943 477 S CB 0.088 63.215 63.200 -0.122 0.000 0.786 477 S HN 0.649 nan 8.310 nan 0.000 0.508 478 Q N -0.600 119.078 119.800 -0.205 0.000 2.421 478 Q HA 0.513 3.904 4.340 -1.583 0.000 0.280 478 Q C 0.173 176.031 176.000 -0.237 0.000 1.085 478 Q CA -0.566 55.112 55.803 -0.209 0.000 0.807 478 Q CB 1.983 30.638 28.738 -0.138 0.000 1.405 478 Q HN 0.086 nan 8.270 nan 0.000 0.419 479 L N 0.474 121.551 121.223 -0.243 0.000 2.046 479 L HA -0.038 3.353 4.340 -1.583 0.000 0.208 479 L C 0.541 177.258 176.870 -0.256 0.000 1.077 479 L CA 1.380 56.093 54.840 -0.211 0.000 0.747 479 L CB -0.076 41.857 42.059 -0.210 0.000 0.896 479 L HN 0.497 nan 8.230 nan 0.000 0.432 480 I N -0.145 120.181 120.570 -0.406 0.000 2.382 480 I HA 0.335 3.555 4.170 -1.583 0.000 0.286 480 I C -0.180 175.371 176.117 -0.943 0.000 1.002 480 I CA -0.158 60.747 61.300 -0.658 0.000 1.135 480 I CB 1.322 38.825 38.000 -0.828 0.000 1.288 480 I HN 0.060 nan 8.210 nan 0.000 0.448 481 R N 4.298 124.406 120.500 -0.653 0.000 2.710 481 R HA 0.495 3.885 4.340 -1.583 0.000 0.270 481 R C -1.637 174.470 176.300 -0.322 0.000 1.021 481 R CA -1.055 54.763 56.100 -0.470 0.000 0.889 481 R CB 2.388 32.597 30.300 -0.151 0.000 1.243 481 R HN 0.378 nan 8.270 nan 0.000 0.464 482 Y N 0.338 120.697 120.300 0.098 0.000 2.310 482 Y HA 0.438 4.039 4.550 -1.582 0.000 0.326 482 Y C 0.934 176.905 175.900 0.117 0.000 1.151 482 Y CA -0.745 57.448 58.100 0.156 0.000 1.195 482 Y CB 1.392 40.010 38.460 0.262 0.000 1.210 482 Y HN 0.631 nan 8.280 nan 0.000 0.483 483 A N 1.717 124.703 122.820 0.277 0.000 2.429 483 A HA 0.556 3.926 4.320 -1.583 0.000 0.242 483 A C 0.460 177.932 177.584 -0.187 0.000 1.088 483 A CA 0.331 52.375 52.037 0.012 0.000 0.784 483 A CB -0.263 18.777 19.000 0.065 0.000 1.038 483 A HN 0.912 nan 8.150 nan 0.000 0.501 484 G N -0.397 108.122 108.800 -0.469 0.000 2.723 484 G HA2 0.571 3.581 3.960 -1.583 0.000 0.295 484 G HA3 0.571 3.581 3.960 -1.583 0.000 0.295 484 G C -1.366 173.219 174.900 -0.526 0.000 1.464 484 G CA -0.279 44.592 45.100 -0.382 0.000 1.012 484 G HN 0.529 nan 8.290 nan 0.000 0.522 485 Y N 0.957 121.276 120.300 0.031 0.000 2.376 485 Y HA 0.471 4.070 4.550 -1.585 0.000 0.340 485 Y C 0.534 176.434 175.900 0.000 0.000 0.965 485 Y CA -1.114 56.999 58.100 0.021 0.000 1.078 485 Y CB 2.261 40.733 38.460 0.021 0.000 1.193 485 Y HN 0.281 nan 8.280 nan 0.000 0.452 486 K N 3.744 124.225 120.400 0.135 0.000 2.297 486 K HA 0.253 3.624 4.320 -1.583 0.000 0.286 486 K C -0.513 176.132 176.600 0.076 0.000 1.053 486 K CA -0.463 55.871 56.287 0.077 0.000 0.940 486 K CB 0.702 33.230 32.500 0.047 0.000 1.019 486 K HN 0.633 nan 8.250 nan 0.000 0.475 487 Q N 2.720 122.550 119.800 0.051 0.000 2.226 487 Q HA 0.162 3.552 4.340 -1.583 0.000 0.256 487 Q C -1.762 174.246 176.000 0.013 0.000 0.962 487 Q CA -2.151 53.668 55.803 0.028 0.000 0.887 487 Q CB 1.122 29.871 28.738 0.018 0.000 1.282 487 Q HN 0.285 nan 8.270 nan 0.000 0.449 488 P HA -0.250 nan 4.420 nan 0.000 0.218 488 P C 0.610 177.910 177.300 0.000 0.000 1.150 488 P CA 1.564 64.663 63.100 -0.001 0.000 0.841 488 P CB 0.252 31.947 31.700 -0.008 0.000 0.784 489 D N -1.939 118.461 120.400 0.000 0.000 2.158 489 D HA -0.129 3.561 4.640 -1.583 0.000 0.197 489 D C 1.671 177.973 176.300 0.004 0.000 0.995 489 D CA 2.178 56.178 54.000 0.001 0.000 0.846 489 D CB -0.618 40.182 40.800 0.001 0.000 0.941 489 D HN 0.225 nan 8.370 nan 0.000 0.456 490 G N -1.259 107.546 108.800 0.007 0.000 2.254 490 G HA2 -0.271 2.739 3.960 -1.583 0.000 0.225 490 G HA3 -0.271 2.739 3.960 -1.583 0.000 0.225 490 G C 0.544 175.450 174.900 0.010 0.000 1.003 490 G CA 0.602 45.707 45.100 0.009 0.000 0.622 490 G HN 0.671 nan 8.290 nan 0.000 0.507 491 S N -0.249 115.457 115.700 0.010 0.000 2.641 491 S HA 0.696 4.217 4.470 -1.583 0.000 0.261 491 S C 0.024 174.632 174.600 0.013 0.000 1.257 491 S CA 0.661 58.867 58.200 0.009 0.000 0.983 491 S CB 1.699 64.904 63.200 0.008 0.000 0.990 491 S HN 0.645 nan 8.310 nan 0.000 0.572 492 T N 1.311 115.868 114.554 0.005 0.000 2.824 492 T HA 0.528 3.928 4.350 -1.583 0.000 0.282 492 T C -1.025 173.679 174.700 0.006 0.000 0.993 492 T CA -0.502 61.602 62.100 0.006 0.000 0.967 492 T CB 1.137 69.990 68.868 -0.026 0.000 0.960 492 T HN 0.554 nan 8.240 nan 0.000 0.441 493 L N 3.636 124.896 121.223 0.062 0.000 2.295 493 L HA 0.763 4.153 4.340 -1.583 0.000 0.285 493 L C 0.703 177.626 176.870 0.090 0.000 1.035 493 L CA 1.121 56.012 54.840 0.084 0.000 0.806 493 L CB 0.067 42.201 42.059 0.126 0.000 1.214 493 L HN 0.975 nan 8.230 nan 0.000 0.426 494 G N 4.002 112.789 108.800 -0.022 0.000 2.512 494 G HA2 -0.231 2.779 3.960 -1.583 0.000 0.240 494 G HA3 -0.231 2.779 3.960 -1.583 0.000 0.240 494 G C -0.707 173.903 174.900 -0.483 0.000 1.246 494 G CA 0.006 45.048 45.100 -0.096 0.000 0.919 494 G HN 0.852 nan 8.290 nan 0.000 0.577 495 D N 1.544 121.769 120.400 -0.291 0.000 2.380 495 D HA 0.516 4.206 4.640 -1.583 0.000 0.230 495 D C -0.897 175.306 176.300 -0.161 0.000 1.154 495 D CA -1.884 51.914 54.000 -0.337 0.000 0.859 495 D CB 1.292 42.232 40.800 0.233 0.000 1.045 495 D HN -0.005 nan 8.370 nan 0.000 0.495 496 P HA -0.097 nan 4.420 nan 0.000 0.219 496 P C 1.008 178.303 177.300 -0.008 0.000 1.146 496 P CA 0.940 63.993 63.100 -0.078 0.000 0.808 496 P CB 0.219 31.876 31.700 -0.072 0.000 0.779 497 A N -0.290 122.550 122.820 0.032 0.000 2.024 497 A HA -0.188 3.183 4.320 -1.583 0.000 0.220 497 A C 1.751 179.384 177.584 0.082 0.000 1.164 497 A CA 1.682 53.765 52.037 0.076 0.000 0.643 497 A CB -0.954 18.121 19.000 0.126 0.000 0.806 497 A HN 0.179 nan 8.150 nan 0.000 0.451 498 N N -0.824 117.916 118.700 0.068 0.000 2.204 498 N HA 0.148 3.939 4.740 -1.583 0.000 0.219 498 N C 1.142 176.676 175.510 0.041 0.000 1.151 498 N CA 0.267 53.368 53.050 0.087 0.000 0.867 498 N CB 0.622 39.172 38.487 0.105 0.000 1.043 498 N HN 0.202 nan 8.380 nan 0.000 0.516 499 V N 1.186 121.100 119.914 0.000 0.000 2.255 499 V HA -0.283 2.888 4.120 -1.583 0.000 0.247 499 V C 2.595 178.668 176.094 -0.035 0.000 1.051 499 V CA 1.886 64.163 62.300 -0.038 0.000 1.018 499 V CB -0.389 31.422 31.823 -0.020 0.000 0.641 499 V HN 0.357 nan 8.190 nan 0.000 0.445 500 Q N -1.034 118.761 119.800 -0.009 0.000 2.084 500 Q HA -0.251 3.140 4.340 -1.583 0.000 0.202 500 Q C 2.130 178.026 176.000 -0.172 0.000 0.978 500 Q CA 2.282 58.043 55.803 -0.071 0.000 0.844 500 Q CB -0.230 28.491 28.738 -0.027 0.000 0.898 500 Q HN 0.632 nan 8.270 nan 0.000 0.426 501 F N 0.703 120.493 119.950 -0.266 0.000 2.146 501 F HA -0.157 3.417 4.527 -1.590 0.000 0.298 501 F C 2.099 177.775 175.800 -0.208 0.000 1.096 501 F CA 1.851 59.660 58.000 -0.318 0.000 1.275 501 F CB -0.544 38.350 39.000 -0.176 0.000 1.008 501 F HN 0.018 nan 8.300 nan 0.000 0.480 502 T N 0.234 114.696 114.554 -0.153 0.000 2.665 502 T HA -0.272 3.129 4.350 -1.583 0.000 0.268 502 T C 1.691 176.293 174.700 -0.163 0.000 1.035 502 T CA 2.098 64.084 62.100 -0.191 0.000 1.151 502 T CB -0.433 68.325 68.868 -0.183 0.000 0.862 502 T HN 0.400 nan 8.240 nan 0.000 0.438 503 E N 0.352 120.465 120.200 -0.145 0.000 2.150 503 E HA -0.020 3.381 4.350 -1.583 0.000 0.193 503 E C 2.143 178.644 176.600 -0.164 0.000 0.985 503 E CA 0.751 57.090 56.400 -0.102 0.000 0.814 503 E CB -0.276 29.373 29.700 -0.085 0.000 0.752 503 E HN 0.495 nan 8.360 nan 0.000 0.466 504 I N 0.512 120.909 120.570 -0.289 0.000 2.252 504 I HA -0.302 2.918 4.170 -1.583 0.000 0.245 504 I C 2.210 178.142 176.117 -0.309 0.000 1.102 504 I CA 0.619 61.743 61.300 -0.294 0.000 1.385 504 I CB -0.220 37.562 38.000 -0.363 0.000 1.064 504 I HN 0.250 nan 8.210 nan 0.000 0.414 505 C N 0.697 119.719 119.300 -0.464 0.000 2.425 505 C HA -0.131 3.380 4.460 -1.583 0.000 0.277 505 C C 2.710 177.670 174.990 -0.049 0.000 1.280 505 C CA 0.571 59.384 59.018 -0.342 0.000 1.744 505 C CB -0.898 26.535 27.740 -0.512 0.000 1.989 505 C HN 0.443 nan 8.230 nan 0.000 0.491 506 I N 0.996 121.571 120.570 0.008 0.000 2.252 506 I HA -0.221 2.999 4.170 -1.583 0.000 0.245 506 I C 2.888 178.995 176.117 -0.017 0.000 1.102 506 I CA 1.572 62.913 61.300 0.068 0.000 1.385 506 I CB -0.667 37.381 38.000 0.080 0.000 1.064 506 I HN 0.481 nan 8.210 nan 0.000 0.414 507 Q N 0.644 120.401 119.800 -0.072 0.000 2.369 507 Q HA -0.180 3.211 4.340 -1.583 0.000 0.206 507 Q C 1.735 177.658 176.000 -0.129 0.000 0.963 507 Q CA 1.023 56.764 55.803 -0.104 0.000 0.894 507 Q CB 0.065 28.727 28.738 -0.127 0.000 0.965 507 Q HN 0.499 nan 8.270 nan 0.000 0.475 508 Q N -0.357 119.368 119.800 -0.124 0.000 2.398 508 Q HA 0.095 3.486 4.340 -1.583 0.000 0.204 508 Q C 0.754 176.699 176.000 -0.092 0.000 0.932 508 Q CA 1.160 56.885 55.803 -0.130 0.000 0.916 508 Q CB 1.058 29.702 28.738 -0.158 0.000 1.024 508 Q HN 0.645 nan 8.270 nan 0.000 0.504 509 G N -0.130 108.646 108.800 -0.041 0.000 2.155 509 G HA2 -0.170 2.840 3.960 -1.583 0.000 0.130 509 G HA3 -0.170 2.840 3.960 -1.583 0.000 0.130 509 G C -0.701 174.231 174.900 0.054 0.000 1.027 509 G CA -0.389 44.700 45.100 -0.018 0.000 0.705 509 G HN 0.209 nan 8.290 nan 0.000 0.496 510 W N 2.752 123.981 121.300 -0.119 0.000 2.210 510 W HA 0.594 4.299 4.660 -1.591 0.000 0.330 510 W C 0.431 176.916 176.519 -0.057 0.000 1.334 510 W CA -0.431 56.859 57.345 -0.093 0.000 1.227 510 W CB 0.620 30.025 29.460 -0.092 0.000 1.178 510 W HN 0.013 nan 8.180 nan 0.000 0.560 511 K N 5.304 125.450 120.400 -0.423 0.000 2.285 511 K HA 0.469 3.839 4.320 -1.583 0.000 0.286 511 K C -0.270 175.642 176.600 -1.147 0.000 1.072 511 K CA -0.333 55.626 56.287 -0.547 0.000 0.913 511 K CB 0.683 32.969 32.500 -0.356 0.000 1.067 511 K HN 0.482 nan 8.250 nan 0.000 0.479 512 A N 4.874 127.164 122.820 -0.884 0.000 2.274 512 A HA 0.367 3.738 4.320 -1.583 0.000 0.309 512 A C -1.805 175.451 177.584 -0.547 0.000 1.226 512 A CA -1.425 49.994 52.037 -1.030 0.000 0.853 512 A CB 0.550 19.346 19.000 -0.340 0.000 1.146 512 A HN 0.484 nan 8.150 nan 0.000 0.518 513 P HA -0.040 nan 4.420 nan 0.000 0.223 513 P C -0.021 177.143 177.300 -0.226 0.000 1.151 513 P CA 0.274 63.243 63.100 -0.218 0.000 0.787 513 P CB 0.068 31.724 31.700 -0.074 0.000 0.788 514 R N -1.363 118.935 120.500 -0.337 0.000 3.332 514 R HA -0.099 3.292 4.340 -1.583 0.000 0.263 514 R C 0.640 176.757 176.300 -0.306 0.000 1.053 514 R CA 0.302 55.965 56.100 -0.728 0.000 0.705 514 R CB -2.352 27.533 30.300 -0.692 0.000 1.166 514 R HN 0.367 nan 8.270 nan 0.000 0.427 515 G N -0.769 108.019 108.800 -0.019 0.000 2.887 515 G HA2 0.393 3.403 3.960 -1.583 0.000 0.277 515 G HA3 0.393 3.403 3.960 -1.583 0.000 0.277 515 G C 0.304 175.301 174.900 0.161 0.000 1.346 515 G CA -0.609 44.534 45.100 0.072 0.000 1.058 515 G HN 0.186 nan 8.290 nan 0.000 0.535 516 R N -1.600 118.946 120.500 0.076 0.000 2.153 516 R HA 0.151 3.542 4.340 -1.583 0.000 0.218 516 R C 0.064 176.097 176.300 -0.445 0.000 1.072 516 R CA 0.784 56.803 56.100 -0.136 0.000 0.990 516 R CB -0.081 30.119 30.300 -0.167 0.000 0.889 516 R HN 0.379 nan 8.270 nan 0.000 0.452 517 F N 0.704 120.677 119.950 0.039 0.000 2.576 517 F HA 0.237 3.813 4.527 -1.585 0.000 0.365 517 F C -1.074 174.764 175.800 0.063 0.000 1.506 517 F CA -1.041 56.778 58.000 -0.302 0.000 1.113 517 F CB 0.892 39.556 39.000 -0.561 0.000 1.293 517 F HN -0.241 nan 8.300 nan 0.000 0.540 518 D N 1.581 122.232 120.400 0.418 0.000 2.316 518 D HA 0.180 3.871 4.640 -1.583 0.000 0.245 518 D C 0.197 176.844 176.300 0.578 0.000 1.171 518 D CA 0.058 54.362 54.000 0.508 0.000 0.856 518 D CB 2.024 43.171 40.800 0.579 0.000 1.090 518 D HN -0.078 nan 8.370 nan 0.000 0.476 519 V N 3.962 124.169 119.914 0.489 0.000 2.458 519 V HA -0.049 3.121 4.120 -1.583 0.000 0.287 519 V C 1.080 177.269 176.094 0.158 0.000 1.009 519 V CA -0.171 62.290 62.300 0.269 0.000 1.091 519 V CB -0.139 31.785 31.823 0.168 0.000 0.960 519 V HN 0.367 nan 8.190 nan 0.000 0.476 520 L N 8.566 129.767 121.223 -0.035 0.000 2.483 520 L HA 0.235 3.625 4.340 -1.583 0.000 0.275 520 L C -1.632 175.028 176.870 -0.350 0.000 1.220 520 L CA -1.167 53.474 54.840 -0.331 0.000 0.833 520 L CB 0.407 42.382 42.059 -0.140 0.000 1.102 520 L HN 0.481 nan 8.230 nan 0.000 0.490 521 P HA 0.206 nan 4.420 nan 0.000 0.279 521 P C -0.931 176.271 177.300 -0.163 0.000 1.252 521 P CA -0.522 62.341 63.100 -0.396 0.000 0.811 521 P CB 0.897 32.198 31.700 -0.666 0.000 1.035 522 L N 1.450 122.661 121.223 -0.021 0.000 2.371 522 L HA 0.346 3.737 4.340 -1.583 0.000 0.272 522 L C 0.566 177.489 176.870 0.089 0.000 1.124 522 L CA -0.506 54.386 54.840 0.087 0.000 0.816 522 L CB 0.333 42.485 42.059 0.155 0.000 1.129 522 L HN 0.250 nan 8.230 nan 0.000 0.448 523 L N 5.213 126.519 121.223 0.139 0.000 2.345 523 L HA 0.486 3.877 4.340 -1.583 0.000 0.274 523 L C -1.016 175.835 176.870 -0.033 0.000 0.999 523 L CA -0.382 54.455 54.840 -0.005 0.000 0.849 523 L CB 1.229 43.280 42.059 -0.012 0.000 1.220 523 L HN 0.513 nan 8.230 nan 0.000 0.422 524 L N 4.472 125.667 121.223 -0.046 0.000 2.305 524 L HA 0.460 3.851 4.340 -1.583 0.000 0.284 524 L C -0.302 176.482 176.870 -0.144 0.000 1.013 524 L CA -0.367 54.454 54.840 -0.031 0.000 0.819 524 L CB 1.982 44.063 42.059 0.036 0.000 1.227 524 L HN 0.563 nan 8.230 nan 0.000 0.417 525 Q N 3.191 122.908 119.800 -0.138 0.000 2.372 525 Q HA 0.650 4.040 4.340 -1.583 0.000 0.259 525 Q C -1.088 174.759 176.000 -0.255 0.000 0.993 525 Q CA -0.569 55.128 55.803 -0.177 0.000 0.854 525 Q CB 1.825 30.557 28.738 -0.010 0.000 1.231 525 Q HN 0.755 nan 8.270 nan 0.000 0.462 526 A N 4.462 127.063 122.820 -0.365 0.000 2.304 526 A HA 0.345 3.716 4.320 -1.583 0.000 0.323 526 A C 0.295 177.411 177.584 -0.780 0.000 1.195 526 A CA -0.370 51.203 52.037 -0.774 0.000 0.826 526 A CB 0.617 19.367 19.000 -0.417 0.000 1.184 526 A HN 1.095 nan 8.150 nan 0.000 0.496 527 N N 1.000 118.931 118.700 -1.282 0.000 2.714 527 N HA -0.252 3.538 4.740 -1.583 0.000 0.250 527 N C 0.992 176.305 175.510 -0.330 0.000 1.117 527 N CA 1.704 54.393 53.050 -0.601 0.000 0.719 527 N CB -0.752 37.550 38.487 -0.309 0.000 1.081 527 N HN 2.182 nan 8.380 nan 0.000 0.557 528 G N -1.313 107.324 108.800 -0.271 0.000 2.199 528 G HA2 -0.303 2.707 3.960 -1.583 0.000 0.254 528 G HA3 -0.303 2.707 3.960 -1.583 0.000 0.254 528 G C 0.170 175.028 174.900 -0.070 0.000 0.982 528 G CA 0.427 45.448 45.100 -0.132 0.000 0.632 528 G HN 0.561 nan 8.290 nan 0.000 0.529 529 N N 1.537 120.156 118.700 -0.136 0.000 2.354 529 N HA 0.264 4.055 4.740 -1.583 0.000 0.246 529 N C -0.151 175.308 175.510 -0.084 0.000 1.285 529 N CA -0.149 52.861 53.050 -0.067 0.000 0.925 529 N CB 0.293 38.728 38.487 -0.087 0.000 1.174 529 N HN 0.202 nan 8.380 nan 0.000 0.478 530 D N 1.414 121.800 120.400 -0.022 0.000 2.525 530 D HA 0.057 3.747 4.640 -1.583 0.000 0.235 530 D C -1.783 174.354 176.300 -0.273 0.000 1.137 530 D CA -0.190 53.738 54.000 -0.120 0.000 0.868 530 D CB 0.088 40.964 40.800 0.127 0.000 1.180 530 D HN 0.301 nan 8.370 nan 0.000 0.465 531 P HA 0.190 nan 4.420 nan 0.000 0.276 531 P C -0.669 176.410 177.300 -0.369 0.000 1.244 531 P CA -0.340 62.417 63.100 -0.572 0.000 0.801 531 P CB 1.213 32.158 31.700 -1.258 0.000 1.006 532 E N 0.555 120.590 120.200 -0.275 0.000 2.266 532 E HA 0.421 3.821 4.350 -1.583 0.000 0.268 532 E C -0.482 175.859 176.600 -0.432 0.000 0.879 532 E CA -0.974 55.230 56.400 -0.327 0.000 0.762 532 E CB 1.699 31.206 29.700 -0.321 0.000 1.199 532 E HN 0.344 nan 8.360 nan 0.000 0.422 533 L N 2.638 123.534 121.223 -0.544 0.000 2.397 533 L HA 0.381 3.771 4.340 -1.583 0.000 0.271 533 L C -0.777 175.548 176.870 -0.908 0.000 1.148 533 L CA 0.210 54.748 54.840 -0.504 0.000 0.825 533 L CB 0.105 41.965 42.059 -0.331 0.000 1.117 533 L HN 0.465 nan 8.230 nan 0.000 0.456 534 F N 0.558 120.301 119.950 -0.345 0.000 2.615 534 F HA 0.278 2.986 4.527 -3.032 0.000 0.312 534 F C -0.200 175.385 175.800 -0.358 0.000 1.119 534 F CA -0.686 56.989 58.000 -0.543 0.000 0.979 534 F CB 1.665 40.009 39.000 -1.093 0.000 1.266 534 F HN 0.348 nan 8.300 nan 0.000 0.444 535 Q N 4.027 123.778 119.800 -0.082 0.000 2.278 535 Q HA 0.515 3.906 4.340 -1.583 0.000 0.257 535 Q C -0.648 175.468 176.000 0.194 0.000 0.928 535 Q CA -0.530 55.315 55.803 0.070 0.000 0.932 535 Q CB 1.033 29.849 28.738 0.130 0.000 1.221 535 Q HN 0.720 nan 8.270 nan 0.000 0.434 536 I N 6.645 127.367 120.570 0.253 0.000 2.662 536 I HA 0.033 3.253 4.170 -1.583 0.000 0.285 536 I C -1.896 174.354 176.117 0.222 0.000 1.161 536 I CA -1.663 59.821 61.300 0.307 0.000 1.415 536 I CB 0.170 38.268 38.000 0.163 0.000 1.385 536 I HN 0.483 nan 8.210 nan 0.000 0.552 537 P HA -0.034 nan 4.420 nan 0.000 0.257 537 P C -1.983 175.385 177.300 0.114 0.000 1.162 537 P CA -0.609 62.586 63.100 0.158 0.000 0.762 537 P CB 0.027 31.800 31.700 0.123 0.000 0.753 538 P HA -0.198 nan 4.420 nan 0.000 0.219 538 P C 1.300 178.645 177.300 0.075 0.000 1.146 538 P CA 1.284 64.442 63.100 0.097 0.000 0.808 538 P CB -0.173 31.585 31.700 0.097 0.000 0.779 539 E N -0.072 120.168 120.200 0.066 0.000 2.418 539 E HA -0.087 3.313 4.350 -1.583 0.000 0.197 539 E C 1.487 178.112 176.600 0.042 0.000 1.026 539 E CA 0.795 57.224 56.400 0.049 0.000 0.862 539 E CB -0.878 28.848 29.700 0.042 0.000 0.799 539 E HN 0.319 nan 8.360 nan 0.000 0.518 540 L N 0.856 122.108 121.223 0.047 0.000 2.477 540 L HA 0.129 3.519 4.340 -1.583 0.000 0.220 540 L C 0.687 177.581 176.870 0.040 0.000 1.106 540 L CA -0.005 54.857 54.840 0.037 0.000 0.851 540 L CB 0.511 42.585 42.059 0.026 0.000 0.994 540 L HN -0.107 nan 8.230 nan 0.000 0.462 541 V N 2.536 122.478 119.914 0.047 0.000 2.299 541 V HA 0.097 3.268 4.120 -1.583 0.000 0.255 541 V C 0.161 176.292 176.094 0.061 0.000 1.100 541 V CA -0.512 61.816 62.300 0.046 0.000 0.938 541 V CB 0.832 32.681 31.823 0.044 0.000 1.139 541 V HN 0.079 nan 8.190 nan 0.000 0.490 542 L N 5.448 126.707 121.223 0.061 0.000 2.477 542 L HA 0.315 3.705 4.340 -1.583 0.000 0.272 542 L C 0.226 177.136 176.870 0.067 0.000 1.157 542 L CA 0.823 55.692 54.840 0.047 0.000 0.889 542 L CB -0.031 42.048 42.059 0.035 0.000 1.158 542 L HN 0.630 nan 8.230 nan 0.000 0.473 543 E N 3.354 123.575 120.200 0.036 0.000 2.256 543 E HA 0.560 3.961 4.350 -1.583 0.000 0.267 543 E C -1.378 175.182 176.600 -0.067 0.000 0.892 543 E CA -0.998 55.428 56.400 0.043 0.000 0.775 543 E CB 2.410 32.169 29.700 0.099 0.000 1.207 543 E HN 0.391 nan 8.360 nan 0.000 0.420 544 V N 3.607 123.449 119.914 -0.120 0.000 2.384 544 V HA 0.313 3.483 4.120 -1.583 0.000 0.287 544 V C -2.273 173.799 176.094 -0.036 0.000 1.020 544 V CA -2.062 60.125 62.300 -0.188 0.000 0.850 544 V CB 1.248 32.758 31.823 -0.522 0.000 0.987 544 V HN 0.548 nan 8.190 nan 0.000 0.436 545 P HA 0.239 nan 4.420 nan 0.000 0.271 545 P C -0.724 176.626 177.300 0.083 0.000 1.216 545 P CA -0.096 63.011 63.100 0.012 0.000 0.771 545 P CB 0.663 32.367 31.700 0.008 0.000 0.864 546 I N 4.729 125.389 120.570 0.150 0.000 2.304 546 I HA 0.281 3.501 4.170 -1.583 0.000 0.291 546 I C 1.163 177.476 176.117 0.327 0.000 1.018 546 I CA -0.336 61.124 61.300 0.267 0.000 1.260 546 I CB 0.180 38.421 38.000 0.402 0.000 1.390 546 I HN 0.400 nan 8.210 nan 0.000 0.475 547 R N 5.363 126.008 120.500 0.243 0.000 2.912 547 R HA 0.536 3.927 4.340 -1.583 0.000 0.262 547 R C -1.110 175.195 176.300 0.008 0.000 1.057 547 R CA -0.690 55.545 56.100 0.225 0.000 0.981 547 R CB 2.041 32.459 30.300 0.196 0.000 1.201 547 R HN 0.529 nan 8.270 nan 0.000 0.484 548 H N 1.326 120.252 119.070 -0.240 0.000 2.469 548 H HA 0.309 3.915 4.556 -1.583 0.000 0.342 548 H C -1.770 173.214 175.328 -0.573 0.000 1.115 548 H CA -2.040 53.695 56.048 -0.522 0.000 1.204 548 H CB 2.471 31.823 29.762 -0.685 0.000 1.492 548 H HN 0.337 nan 8.280 nan 0.000 0.499 549 P HA -0.027 nan 4.420 nan 0.000 0.223 549 P C 0.606 177.621 177.300 -0.476 0.000 1.151 549 P CA 1.052 63.490 63.100 -1.104 0.000 0.787 549 P CB 0.802 31.672 31.700 -1.384 0.000 0.788 550 K N -1.805 118.436 120.400 -0.265 0.000 2.399 550 K HA 0.192 3.562 4.320 -1.583 0.000 0.196 550 K C 0.422 176.859 176.600 -0.273 0.000 1.117 550 K CA 0.020 56.126 56.287 -0.301 0.000 0.965 550 K CB 0.413 32.638 32.500 -0.459 0.000 0.983 550 K HN 0.106 nan 8.250 nan 0.000 0.531 551 F N 1.715 121.517 119.950 -0.247 0.000 2.350 551 F HA 0.084 3.662 4.527 -1.583 0.000 0.365 551 F C 1.080 176.592 175.800 -0.481 0.000 1.122 551 F CA -0.861 56.788 58.000 -0.584 0.000 1.139 551 F CB 1.136 39.409 39.000 -1.212 0.000 1.220 551 F HN -0.052 nan 8.300 nan 0.000 0.499 552 D N 4.561 124.908 120.400 -0.089 0.000 2.178 552 D HA -0.173 3.517 4.640 -1.583 0.000 0.202 552 D C 2.026 178.351 176.300 0.041 0.000 0.974 552 D CA 1.212 55.212 54.000 0.000 0.000 0.841 552 D CB 0.041 40.884 40.800 0.072 0.000 0.953 552 D HN 0.668 nan 8.370 nan 0.000 0.478 553 W N -0.408 120.988 121.300 0.161 0.000 2.525 553 W HA -0.102 3.608 4.660 -1.583 0.000 0.259 553 W C 1.552 178.152 176.519 0.135 0.000 1.253 553 W CA -0.306 57.100 57.345 0.102 0.000 1.262 553 W CB -1.453 28.021 29.460 0.023 0.000 1.122 553 W HN -0.090 nan 8.180 nan 0.000 0.607 554 F N 3.664 123.445 119.950 -0.282 0.000 2.202 554 F HA -0.261 3.316 4.527 -1.583 0.000 0.301 554 F C 2.759 178.609 175.800 0.083 0.000 1.082 554 F CA 2.989 60.903 58.000 -0.143 0.000 1.313 554 F CB -0.195 38.616 39.000 -0.316 0.000 1.024 554 F HN -0.114 nan 8.300 nan 0.000 0.495 555 K N -0.249 120.297 120.400 0.243 0.000 2.097 555 K HA -0.192 3.178 4.320 -1.583 0.000 0.206 555 K C 1.199 177.866 176.600 0.112 0.000 1.049 555 K CA 1.951 58.346 56.287 0.179 0.000 0.933 555 K CB -0.554 32.032 32.500 0.145 0.000 0.717 555 K HN 0.156 nan 8.250 nan 0.000 0.442 556 D N 1.258 121.731 120.400 0.123 0.000 2.371 556 D HA -0.044 3.646 4.640 -1.583 0.000 0.221 556 D C 1.743 178.071 176.300 0.047 0.000 0.986 556 D CA 0.559 54.612 54.000 0.088 0.000 0.899 556 D CB 0.030 40.894 40.800 0.106 0.000 0.902 556 D HN 0.306 nan 8.370 nan 0.000 0.530 557 L N -0.148 121.076 121.223 0.002 0.000 2.362 557 L HA 0.024 3.414 4.340 -1.583 0.000 0.219 557 L C 1.553 178.418 176.870 -0.007 0.000 1.134 557 L CA 0.631 55.437 54.840 -0.057 0.000 0.807 557 L CB -0.433 41.489 42.059 -0.228 0.000 0.927 557 L HN 0.094 nan 8.230 nan 0.000 0.447 558 G N 0.771 109.579 108.800 0.013 0.000 2.198 558 G HA2 -0.268 2.742 3.960 -1.583 0.000 0.257 558 G HA3 -0.268 2.742 3.960 -1.583 0.000 0.257 558 G C 0.007 174.899 174.900 -0.012 0.000 1.042 558 G CA -0.155 44.967 45.100 0.037 0.000 0.791 558 G HN 0.238 nan 8.290 nan 0.000 0.502 559 L N -0.270 120.908 121.223 -0.074 0.000 2.334 559 L HA 0.731 4.121 4.340 -1.583 0.000 0.277 559 L C 0.612 177.340 176.870 -0.237 0.000 1.075 559 L CA -0.569 54.159 54.840 -0.187 0.000 0.804 559 L CB 1.487 43.452 42.059 -0.157 0.000 1.174 559 L HN 0.454 nan 8.230 nan 0.000 0.438 560 K N 1.842 121.927 120.400 -0.524 0.000 2.532 560 K HA 0.540 3.910 4.320 -1.583 0.000 0.265 560 K C -1.908 174.744 176.600 0.087 0.000 0.948 560 K CA -0.982 55.146 56.287 -0.264 0.000 0.842 560 K CB 2.579 34.818 32.500 -0.434 0.000 1.392 560 K HN 0.562 nan 8.250 nan 0.000 0.436 561 W N 2.786 124.125 121.300 0.066 0.000 3.062 561 W HA 0.377 4.090 4.660 -1.577 0.000 0.336 561 W C -1.228 175.417 176.519 0.209 0.000 1.224 561 W CA -0.900 56.549 57.345 0.174 0.000 1.159 561 W CB 1.858 31.307 29.460 -0.017 0.000 1.454 561 W HN 0.717 nan 8.180 nan 0.000 0.569 562 Y N 0.019 120.295 120.300 -0.040 0.000 2.335 562 Y HA 0.573 4.178 4.550 -1.576 0.000 0.323 562 Y C 1.005 177.148 175.900 0.404 0.000 1.224 562 Y CA -0.322 57.815 58.100 0.061 0.000 1.241 562 Y CB 0.313 38.673 38.460 -0.167 0.000 1.235 562 Y HN 0.459 nan 8.280 nan 0.000 0.492 563 G N 1.310 110.378 108.800 0.447 0.000 2.511 563 G HA2 -0.041 2.969 3.960 -1.583 0.000 0.217 563 G HA3 -0.041 2.969 3.960 -1.583 0.000 0.217 563 G C -0.237 175.026 174.900 0.604 0.000 1.133 563 G CA 0.167 45.581 45.100 0.523 0.000 0.792 563 G HN 0.524 nan 8.290 nan 0.000 0.539 564 L N 2.468 124.004 121.223 0.521 0.000 2.283 564 L HA 0.472 3.862 4.340 -1.583 0.000 0.281 564 L C -2.328 174.685 176.870 0.237 0.000 1.033 564 L CA -2.647 52.374 54.840 0.303 0.000 0.848 564 L CB 1.787 43.952 42.059 0.177 0.000 1.226 564 L HN -0.173 nan 8.230 nan 0.000 0.429 565 P HA 0.375 nan 4.420 nan 0.000 0.287 565 P C -1.374 175.830 177.300 -0.161 0.000 1.294 565 P CA -0.359 62.620 63.100 -0.201 0.000 0.776 565 P CB 1.523 32.746 31.700 -0.794 0.000 0.889 566 A N 4.131 126.848 122.820 -0.171 0.000 2.679 566 A HA 0.392 3.763 4.320 -1.583 0.000 0.288 566 A C -0.510 176.830 177.584 -0.408 0.000 1.160 566 A CA -0.573 51.300 52.037 -0.275 0.000 0.763 566 A CB 0.658 19.523 19.000 -0.225 0.000 1.270 566 A HN 0.277 nan 8.150 nan 0.000 0.417 567 V N 2.660 122.158 119.914 -0.692 0.000 2.508 567 V HA 0.325 3.495 4.120 -1.583 0.000 0.281 567 V C 1.230 176.876 176.094 -0.747 0.000 1.041 567 V CA 1.083 62.932 62.300 -0.753 0.000 1.016 567 V CB 1.201 32.386 31.823 -1.064 0.000 0.984 567 V HN 1.115 nan 8.190 nan 0.000 0.478 568 S N 1.636 117.098 115.700 -0.396 0.000 2.780 568 S HA 0.070 3.590 4.470 -1.583 0.000 0.248 568 S C 0.744 175.281 174.600 -0.106 0.000 1.036 568 S CA -0.073 57.986 58.200 -0.234 0.000 1.061 568 S CB -0.103 62.998 63.200 -0.165 0.000 1.037 568 S HN 0.806 nan 8.310 nan 0.000 0.584 569 N N 0.997 119.633 118.700 -0.107 0.000 2.187 569 N HA 0.304 4.095 4.740 -1.583 0.000 0.212 569 N C 0.027 175.555 175.510 0.030 0.000 1.152 569 N CA -0.327 52.701 53.050 -0.037 0.000 0.872 569 N CB -0.206 38.243 38.487 -0.063 0.000 1.025 569 N HN 0.369 nan 8.380 nan 0.000 0.514 570 M N 0.524 120.165 119.600 0.067 0.000 2.368 570 M HA 0.356 3.886 4.480 -1.583 0.000 0.311 570 M C -0.496 175.935 176.300 0.218 0.000 1.168 570 M CA -0.834 54.565 55.300 0.166 0.000 1.044 570 M CB 1.966 34.704 32.600 0.229 0.000 1.506 570 M HN 0.045 nan 8.290 nan 0.000 0.475 571 L N 2.560 123.913 121.223 0.216 0.000 2.333 571 L HA 0.520 3.910 4.340 -1.583 0.000 0.280 571 L C -1.474 175.524 176.870 0.213 0.000 1.004 571 L CA -0.982 53.973 54.840 0.192 0.000 0.820 571 L CB 1.349 43.470 42.059 0.103 0.000 1.247 571 L HN 0.571 nan 8.230 nan 0.000 0.416 572 L N 5.054 126.414 121.223 0.229 0.000 2.257 572 L HA 0.441 3.832 4.340 -1.583 0.000 0.290 572 L C -0.442 176.479 176.870 0.084 0.000 1.044 572 L CA 0.328 55.206 54.840 0.063 0.000 0.810 572 L CB 1.190 43.290 42.059 0.067 0.000 1.193 572 L HN 0.697 nan 8.230 nan 0.000 0.425 573 E N 5.921 126.086 120.200 -0.058 0.000 2.133 573 E HA 0.461 3.862 4.350 -1.583 0.000 0.274 573 E C -1.421 175.124 176.600 -0.093 0.000 0.930 573 E CA -0.499 55.874 56.400 -0.046 0.000 0.770 573 E CB 0.971 30.634 29.700 -0.063 0.000 1.104 573 E HN 0.718 nan 8.360 nan 0.000 0.403 574 I N 3.011 123.534 120.570 -0.079 0.000 2.447 574 I HA 0.299 3.520 4.170 -1.583 0.000 0.287 574 I C 0.741 176.641 176.117 -0.361 0.000 1.023 574 I CA -0.637 60.493 61.300 -0.284 0.000 1.083 574 I CB 2.031 39.830 38.000 -0.336 0.000 1.245 574 I HN 0.834 nan 8.210 nan 0.000 0.434 575 G N 4.286 112.861 108.800 -0.375 0.000 2.390 575 G HA2 -0.119 2.892 3.960 -1.583 0.000 0.299 575 G HA3 -0.119 2.892 3.960 -1.583 0.000 0.299 575 G C 1.054 175.989 174.900 0.060 0.000 1.002 575 G CA 0.801 45.849 45.100 -0.086 0.000 0.979 575 G HN 1.564 nan 8.290 nan 0.000 0.513 576 G N -1.991 106.806 108.800 -0.004 0.000 2.212 576 G HA2 -0.275 2.736 3.960 -1.583 0.000 0.266 576 G HA3 -0.275 2.736 3.960 -1.583 0.000 0.266 576 G C 0.545 175.403 174.900 -0.069 0.000 0.978 576 G CA 0.666 45.769 45.100 0.006 0.000 0.632 576 G HN 1.347 nan 8.290 nan 0.000 0.537 577 L N 0.591 121.712 121.223 -0.170 0.000 2.350 577 L HA 0.547 3.938 4.340 -1.583 0.000 0.275 577 L C 0.371 176.986 176.870 -0.424 0.000 1.099 577 L CA -0.359 54.255 54.840 -0.377 0.000 0.808 577 L CB 1.091 42.801 42.059 -0.582 0.000 1.149 577 L HN 0.140 nan 8.230 nan 0.000 0.442 578 E N 2.878 122.767 120.200 -0.517 0.000 2.155 578 E HA 0.334 3.735 4.350 -1.583 0.000 0.264 578 E C -1.457 174.864 176.600 -0.466 0.000 0.886 578 E CA -0.386 55.815 56.400 -0.331 0.000 0.752 578 E CB 1.434 31.030 29.700 -0.173 0.000 1.133 578 E HN 0.293 nan 8.360 nan 0.000 0.414 579 F N 1.959 121.886 119.950 -0.037 0.000 2.293 579 F HA 0.094 3.670 4.527 -1.586 0.000 0.370 579 F C 1.491 177.331 175.800 0.066 0.000 1.090 579 F CA -0.466 57.534 58.000 0.001 0.000 1.133 579 F CB 1.065 40.048 39.000 -0.028 0.000 1.360 579 F HN 0.387 nan 8.300 nan 0.000 0.489 580 S N 1.088 116.906 115.700 0.196 0.000 2.522 580 S HA 0.283 3.803 4.470 -1.583 0.000 0.227 580 S C 0.770 175.502 174.600 0.220 0.000 0.986 580 S CA 0.206 58.510 58.200 0.173 0.000 0.929 580 S CB 0.095 63.371 63.200 0.127 0.000 0.769 580 S HN 0.478 nan 8.310 nan 0.000 0.529 581 A N 1.021 124.024 122.820 0.305 0.000 2.410 581 A HA 0.597 3.968 4.320 -1.583 0.000 0.289 581 A C -0.138 177.693 177.584 0.412 0.000 1.200 581 A CA -0.673 51.575 52.037 0.353 0.000 0.751 581 A CB 0.342 19.581 19.000 0.398 0.000 1.161 581 A HN 0.988 nan 8.150 nan 0.000 0.459 582 C N 0.710 120.197 119.300 0.313 0.000 3.235 582 C HA 0.468 3.978 4.460 -1.583 0.000 0.198 582 C C -2.848 172.282 174.990 0.234 0.000 1.527 582 C CA -1.826 57.344 59.018 0.254 0.000 1.167 582 C CB -0.380 27.538 27.740 0.296 0.000 1.938 582 C HN 0.555 nan 8.230 nan 0.000 0.593 583 P HA 0.271 nan 4.420 nan 0.000 0.262 583 P C -0.540 176.773 177.300 0.022 0.000 1.182 583 P CA 1.071 64.138 63.100 -0.055 0.000 0.761 583 P CB 0.275 31.918 31.700 -0.095 0.000 0.795 584 F N -0.163 119.711 119.950 -0.126 0.000 2.613 584 F HA 0.803 4.381 4.527 -1.581 0.000 0.314 584 F C -0.721 174.978 175.800 -0.169 0.000 1.075 584 F CA -1.279 56.654 58.000 -0.111 0.000 0.945 584 F CB 1.562 40.379 39.000 -0.304 0.000 1.310 584 F HN 0.394 nan 8.300 nan 0.000 0.467 585 S N -0.001 115.786 115.700 0.144 0.000 2.537 585 S HA 0.908 4.429 4.470 -1.583 0.000 0.270 585 S C -0.804 173.757 174.600 -0.065 0.000 1.142 585 S CA -0.116 58.101 58.200 0.029 0.000 0.870 585 S CB 1.432 64.731 63.200 0.165 0.000 1.112 585 S HN 1.541 nan 8.310 nan 0.000 0.466 586 G N 0.402 109.117 108.800 -0.141 0.000 3.324 586 G HA2 0.742 3.753 3.960 -1.583 0.000 0.188 586 G HA3 0.742 3.753 3.960 -1.583 0.000 0.188 586 G C -1.375 173.543 174.900 0.029 0.000 1.384 586 G CA -0.175 44.787 45.100 -0.230 0.000 0.841 586 G HN 1.234 nan 8.290 nan 0.000 0.758 587 W N -1.451 119.852 121.300 0.004 0.000 3.075 587 W HA 0.789 4.498 4.660 -1.584 0.000 0.334 587 W C -1.651 174.871 176.519 0.005 0.000 1.243 587 W CA -2.270 55.091 57.345 0.027 0.000 1.170 587 W CB 0.372 29.896 29.460 0.106 0.000 1.452 587 W HN 0.438 nan 8.180 nan 0.000 0.572 588 Y N 2.649 123.161 120.300 0.353 0.000 2.336 588 Y HA 0.270 3.870 4.550 -1.583 0.000 0.331 588 Y C 1.055 177.039 175.900 0.139 0.000 1.211 588 Y CA -0.571 57.608 58.100 0.133 0.000 1.346 588 Y CB 1.205 39.638 38.460 -0.046 0.000 1.271 588 Y HN 0.415 nan 8.280 nan 0.000 0.538 589 M N 2.246 122.004 119.600 0.263 0.000 2.277 589 M HA 0.287 3.818 4.480 -1.583 0.000 0.350 589 M C 1.185 177.491 176.300 0.010 0.000 1.180 589 M CA 0.143 55.528 55.300 0.142 0.000 1.103 589 M CB 1.167 33.830 32.600 0.104 0.000 1.577 589 M HN 0.902 nan 8.290 nan 0.000 0.459 590 G N 1.065 109.833 108.800 -0.054 0.000 2.469 590 G HA2 -0.263 2.748 3.960 -1.583 0.000 0.219 590 G HA3 -0.263 2.748 3.960 -1.583 0.000 0.219 590 G C 1.191 175.950 174.900 -0.234 0.000 1.150 590 G CA 1.571 46.556 45.100 -0.191 0.000 0.763 590 G HN 0.887 nan 8.290 nan 0.000 0.561 591 T N -0.628 113.833 114.554 -0.156 0.000 2.803 591 T HA -0.089 3.312 4.350 -1.583 0.000 0.269 591 T C 1.931 176.483 174.700 -0.246 0.000 1.052 591 T CA 1.687 63.653 62.100 -0.223 0.000 1.136 591 T CB -0.338 68.363 68.868 -0.278 0.000 0.864 591 T HN 0.515 nan 8.240 nan 0.000 0.467 592 E N 0.922 121.001 120.200 -0.202 0.000 2.097 592 E HA -0.092 3.308 4.350 -1.583 0.000 0.196 592 E C 2.118 178.465 176.600 -0.421 0.000 1.000 592 E CA 1.624 57.913 56.400 -0.184 0.000 0.804 592 E CB -0.349 29.376 29.700 0.041 0.000 0.740 592 E HN 0.619 nan 8.360 nan 0.000 0.454 593 I N 0.035 120.175 120.570 -0.716 0.000 2.270 593 I HA -0.073 3.148 4.170 -1.583 0.000 0.239 593 I C 2.591 178.138 176.117 -0.951 0.000 1.080 593 I CA 1.043 61.636 61.300 -1.179 0.000 1.383 593 I CB -0.492 36.648 38.000 -1.433 0.000 1.097 593 I HN 0.107 nan 8.210 nan 0.000 0.420 594 G N 0.470 108.918 108.800 -0.587 0.000 2.403 594 G HA2 -0.091 2.920 3.960 -1.583 0.000 0.216 594 G HA3 -0.091 2.920 3.960 -1.583 0.000 0.216 594 G C 1.632 176.467 174.900 -0.107 0.000 1.154 594 G CA 0.758 45.705 45.100 -0.254 0.000 0.784 594 G HN 0.208 nan 8.290 nan 0.000 0.538 595 V N 0.385 120.193 119.914 -0.177 0.000 2.341 595 V HA 0.043 3.213 4.120 -1.583 0.000 0.240 595 V C 2.829 178.859 176.094 -0.107 0.000 1.035 595 V CA 1.141 63.367 62.300 -0.123 0.000 1.033 595 V CB -0.307 31.416 31.823 -0.166 0.000 0.678 595 V HN 0.124 nan 8.190 nan 0.000 0.464 596 R N 0.669 121.072 120.500 -0.162 0.000 2.057 596 R HA 0.067 3.458 4.340 -1.583 0.000 0.224 596 R C 2.084 178.336 176.300 -0.080 0.000 1.136 596 R CA 1.031 57.063 56.100 -0.113 0.000 0.968 596 R CB -1.199 29.031 30.300 -0.117 0.000 0.863 596 R HN 0.464 nan 8.270 nan 0.000 0.433 597 N N 0.538 119.108 118.700 -0.218 0.000 2.142 597 N HA -0.125 3.666 4.740 -1.583 0.000 0.186 597 N C 1.930 177.517 175.510 0.129 0.000 1.023 597 N CA 1.252 54.198 53.050 -0.173 0.000 0.852 597 N CB -0.333 37.670 38.487 -0.805 0.000 0.998 597 N HN 0.401 nan 8.380 nan 0.000 0.424 598 Y N -0.658 119.583 120.300 -0.097 0.000 2.365 598 Y HA 0.012 3.612 4.550 -1.583 0.000 0.293 598 Y C 1.891 177.845 175.900 0.090 0.000 1.119 598 Y CA 0.197 58.318 58.100 0.034 0.000 1.203 598 Y CB 0.360 38.809 38.460 -0.017 0.000 1.026 598 Y HN 0.087 nan 8.280 nan 0.000 0.549 599 C N -1.100 118.315 119.300 0.192 0.000 3.188 599 C HA 0.140 3.650 4.460 -1.583 0.000 0.315 599 C C 0.171 175.206 174.990 0.074 0.000 1.285 599 C CA -0.669 58.423 59.018 0.123 0.000 1.729 599 C CB -0.553 27.236 27.740 0.082 0.000 2.257 599 C HN 0.235 nan 8.230 nan 0.000 0.645 600 D N 2.513 122.948 120.400 0.058 0.000 2.533 600 D HA -0.019 3.671 4.640 -1.583 0.000 0.236 600 D C 1.022 177.355 176.300 0.054 0.000 1.137 600 D CA 0.499 54.522 54.000 0.037 0.000 0.867 600 D CB 0.392 41.210 40.800 0.030 0.000 1.170 600 D HN 0.268 nan 8.370 nan 0.000 0.474 601 N N 0.731 119.453 118.700 0.037 0.000 2.192 601 N HA -0.163 3.628 4.740 -1.583 0.000 0.188 601 N C 1.256 176.787 175.510 0.035 0.000 1.013 601 N CA 0.957 54.031 53.050 0.040 0.000 0.863 601 N CB -0.080 38.425 38.487 0.030 0.000 0.990 601 N HN 0.399 nan 8.380 nan 0.000 0.430 602 S N -0.511 115.207 115.700 0.030 0.000 2.634 602 S HA 0.264 3.784 4.470 -1.583 0.000 0.221 602 S C 1.032 175.646 174.600 0.023 0.000 0.952 602 S CA -0.419 57.795 58.200 0.023 0.000 0.930 602 S CB 0.699 63.912 63.200 0.022 0.000 0.780 602 S HN 0.029 nan 8.310 nan 0.000 0.498 603 R N 0.192 120.719 120.500 0.045 0.000 2.769 603 R HA 0.396 3.787 4.340 -1.583 0.000 0.117 603 R C 0.722 177.038 176.300 0.026 0.000 1.152 603 R CA -0.469 55.668 56.100 0.061 0.000 0.887 603 R CB -0.990 29.405 30.300 0.159 0.000 1.099 603 R HN 0.295 nan 8.270 nan 0.000 0.398 604 Y N 1.626 122.025 120.300 0.166 0.000 2.439 604 Y HA -0.016 3.584 4.550 -1.584 0.000 0.292 604 Y C 0.787 176.750 175.900 0.105 0.000 1.130 604 Y CA 1.235 59.429 58.100 0.158 0.000 1.254 604 Y CB -0.126 38.488 38.460 0.256 0.000 1.000 604 Y HN 0.556 nan 8.280 nan 0.000 0.554 605 N N 0.974 119.810 118.700 0.226 0.000 2.714 605 N HA -0.218 3.572 4.740 -1.583 0.000 0.253 605 N C 0.409 176.000 175.510 0.135 0.000 1.024 605 N CA 0.409 53.544 53.050 0.143 0.000 0.726 605 N CB -1.076 37.466 38.487 0.091 0.000 0.908 605 N HN 0.634 nan 8.380 nan 0.000 0.542 606 I N -2.908 117.749 120.570 0.144 0.000 3.883 606 I HA 0.086 3.306 4.170 -1.583 0.000 0.326 606 I C 1.756 177.940 176.117 0.112 0.000 1.283 606 I CA -0.408 60.951 61.300 0.097 0.000 1.161 606 I CB -0.039 37.977 38.000 0.027 0.000 1.012 606 I HN 0.172 nan 8.210 nan 0.000 0.421 607 L N 1.145 122.458 121.223 0.151 0.000 2.012 607 L HA -0.160 3.230 4.340 -1.583 0.000 0.210 607 L C 2.714 179.753 176.870 0.281 0.000 1.073 607 L CA 1.700 56.663 54.840 0.206 0.000 0.748 607 L CB -0.453 41.709 42.059 0.171 0.000 0.891 607 L HN 0.355 nan 8.230 nan 0.000 0.431 608 E N -0.095 120.252 120.200 0.245 0.000 2.070 608 E HA -0.280 3.120 4.350 -1.583 0.000 0.197 608 E C 2.040 178.663 176.600 0.039 0.000 1.004 608 E CA 1.690 58.190 56.400 0.166 0.000 0.805 608 E CB -0.076 29.688 29.700 0.107 0.000 0.744 608 E HN 0.574 nan 8.360 nan 0.000 0.451 609 E N 0.124 120.340 120.200 0.027 0.000 2.072 609 E HA -0.142 3.259 4.350 -1.583 0.000 0.191 609 E C 2.227 178.785 176.600 -0.070 0.000 0.985 609 E CA 1.016 57.394 56.400 -0.038 0.000 0.801 609 E CB 0.076 29.757 29.700 -0.031 0.000 0.750 609 E HN 0.038 nan 8.360 nan 0.000 0.452 610 V N 1.342 121.263 119.914 0.012 0.000 2.307 610 V HA -0.266 2.904 4.120 -1.583 0.000 0.245 610 V C 2.334 178.449 176.094 0.034 0.000 1.045 610 V CA 1.805 64.143 62.300 0.065 0.000 1.024 610 V CB -0.765 31.183 31.823 0.207 0.000 0.651 610 V HN 0.331 nan 8.190 nan 0.000 0.449 611 A N -0.358 122.523 122.820 0.100 0.000 1.948 611 A HA -0.279 3.091 4.320 -1.583 0.000 0.220 611 A C 2.298 179.804 177.584 -0.130 0.000 1.177 611 A CA 2.121 54.208 52.037 0.083 0.000 0.636 611 A CB -0.489 18.635 19.000 0.206 0.000 0.815 611 A HN 0.543 nan 8.150 nan 0.000 0.449 612 K N -0.470 119.811 120.400 -0.198 0.000 2.097 612 K HA -0.125 3.245 4.320 -1.583 0.000 0.206 612 K C 1.828 178.206 176.600 -0.369 0.000 1.049 612 K CA 1.366 57.492 56.287 -0.267 0.000 0.933 612 K CB -0.109 32.251 32.500 -0.233 0.000 0.717 612 K HN 0.308 nan 8.250 nan 0.000 0.442 613 K N 0.266 120.347 120.400 -0.531 0.000 2.228 613 K HA 0.012 3.383 4.320 -1.583 0.000 0.202 613 K C 1.813 177.808 176.600 -1.009 0.000 1.051 613 K CA 0.858 56.543 56.287 -1.004 0.000 0.960 613 K CB 0.033 31.504 32.500 -1.716 0.000 0.743 613 K HN 0.234 nan 8.250 nan 0.000 0.458 614 M N 0.526 119.802 119.600 -0.541 0.000 2.595 614 M HA -0.058 3.473 4.480 -1.583 0.000 0.248 614 M C -0.295 175.881 176.300 -0.207 0.000 1.119 614 M CA 0.392 55.523 55.300 -0.282 0.000 1.079 614 M CB -0.088 32.480 32.600 -0.054 0.000 1.472 614 M HN 0.020 nan 8.290 nan 0.000 0.501 615 D N 1.561 121.819 120.400 -0.237 0.000 2.723 615 D HA -0.154 3.537 4.640 -1.583 0.000 0.236 615 D C -0.858 175.376 176.300 -0.111 0.000 1.138 615 D CA 0.544 54.439 54.000 -0.174 0.000 0.676 615 D CB -1.030 39.679 40.800 -0.153 0.000 1.069 615 D HN 0.285 nan 8.370 nan 0.000 0.430 616 L N -0.093 121.070 121.223 -0.100 0.000 2.421 616 L HA 0.353 3.744 4.340 -1.583 0.000 0.263 616 L C 0.942 177.745 176.870 -0.112 0.000 1.122 616 L CA -0.764 54.052 54.840 -0.039 0.000 0.804 616 L CB 0.648 42.749 42.059 0.070 0.000 1.150 616 L HN -0.064 nan 8.230 nan 0.000 0.457 617 D N 1.506 121.875 120.400 -0.053 0.000 2.374 617 D HA 0.179 3.869 4.640 -1.583 0.000 0.240 617 D C 0.380 176.562 176.300 -0.197 0.000 1.229 617 D CA 0.239 54.182 54.000 -0.094 0.000 0.895 617 D CB 0.729 41.521 40.800 -0.013 0.000 1.046 617 D HN 0.340 nan 8.370 nan 0.000 0.498 618 M N 2.683 122.010 119.600 -0.456 0.000 2.453 618 M HA 0.164 3.695 4.480 -1.583 0.000 0.239 618 M C 1.723 177.815 176.300 -0.346 0.000 1.151 618 M CA -0.161 54.588 55.300 -0.919 0.000 0.989 618 M CB 0.446 32.334 32.600 -1.186 0.000 1.548 618 M HN 0.265 nan 8.290 nan 0.000 0.479 619 R N 1.566 121.978 120.500 -0.147 0.000 2.075 619 R HA -0.041 3.349 4.340 -1.583 0.000 0.232 619 R C 0.060 176.391 176.300 0.051 0.000 1.126 619 R CA 1.064 57.137 56.100 -0.044 0.000 0.963 619 R CB 0.025 30.306 30.300 -0.031 0.000 0.858 619 R HN 0.360 nan 8.270 nan 0.000 0.435 620 K N -0.695 119.777 120.400 0.121 0.000 2.371 620 K HA 0.219 3.590 4.320 -1.583 0.000 0.251 620 K C 0.561 177.326 176.600 0.275 0.000 0.934 620 K CA -0.365 56.018 56.287 0.161 0.000 0.798 620 K CB 1.776 34.335 32.500 0.099 0.000 1.204 620 K HN -0.147 nan 8.250 nan 0.000 0.427 621 T N -2.378 112.300 114.554 0.206 0.000 2.881 621 T HA -0.189 3.211 4.350 -1.583 0.000 0.270 621 T C 1.680 176.414 174.700 0.058 0.000 1.068 621 T CA 1.547 63.723 62.100 0.127 0.000 1.131 621 T CB -0.471 68.420 68.868 0.037 0.000 0.871 621 T HN 0.594 nan 8.240 nan 0.000 0.479 622 S N 1.920 117.666 115.700 0.078 0.000 2.555 622 S HA -0.029 3.491 4.470 -1.583 0.000 0.230 622 S C 2.073 176.716 174.600 0.071 0.000 0.978 622 S CA 0.659 58.890 58.200 0.052 0.000 0.934 622 S CB -0.769 62.458 63.200 0.045 0.000 0.766 622 S HN 0.758 nan 8.310 nan 0.000 0.533 623 S N 1.927 117.705 115.700 0.130 0.000 2.561 623 S HA 0.172 3.692 4.470 -1.583 0.000 0.225 623 S C 0.967 175.643 174.600 0.126 0.000 0.977 623 S CA 0.130 58.417 58.200 0.146 0.000 0.926 623 S CB -1.066 62.262 63.200 0.212 0.000 0.769 623 S HN 0.625 nan 8.310 nan 0.000 0.533 624 L N 0.731 121.985 121.223 0.052 0.000 3.737 624 L HA -0.187 3.203 4.340 -1.583 0.000 0.418 624 L C 1.659 178.518 176.870 -0.018 0.000 1.216 624 L CA 0.780 55.594 54.840 -0.042 0.000 0.915 624 L CB -2.563 39.487 42.059 -0.015 0.000 1.834 624 L HN 0.754 nan 8.230 nan 0.000 0.943 625 W N 0.108 121.423 121.300 0.025 0.000 2.388 625 W HA -0.130 3.580 4.660 -1.583 0.000 0.294 625 W C 1.746 178.288 176.519 0.039 0.000 1.212 625 W CA 1.217 58.579 57.345 0.029 0.000 1.271 625 W CB -0.681 28.788 29.460 0.015 0.000 1.126 625 W HN 0.251 nan 8.180 nan 0.000 0.535 626 K N 1.038 120.911 120.400 -0.878 0.000 2.063 626 K HA -0.176 3.194 4.320 -1.583 0.000 0.208 626 K C 1.495 177.957 176.600 -0.229 0.000 1.048 626 K CA 2.422 58.296 56.287 -0.688 0.000 0.928 626 K CB -0.322 31.652 32.500 -0.876 0.000 0.713 626 K HN 0.085 nan 8.250 nan 0.000 0.442 627 D N 0.424 120.710 120.400 -0.191 0.000 2.149 627 D HA -0.118 3.573 4.640 -1.583 0.000 0.201 627 D C 1.986 178.296 176.300 0.016 0.000 0.972 627 D CA 0.892 54.846 54.000 -0.076 0.000 0.835 627 D CB 0.063 40.822 40.800 -0.069 0.000 0.966 627 D HN 0.193 nan 8.370 nan 0.000 0.476 628 Q N 0.382 120.219 119.800 0.062 0.000 2.050 628 Q HA -0.082 3.309 4.340 -1.583 0.000 0.202 628 Q C 2.331 178.437 176.000 0.178 0.000 0.980 628 Q CA 1.341 57.221 55.803 0.130 0.000 0.840 628 Q CB -0.218 28.617 28.738 0.162 0.000 0.898 628 Q HN 0.298 nan 8.270 nan 0.000 0.424 629 A N 0.913 123.854 122.820 0.202 0.000 1.972 629 A HA -0.161 3.209 4.320 -1.583 0.000 0.219 629 A C 2.055 179.770 177.584 0.218 0.000 1.169 629 A CA 0.973 53.162 52.037 0.253 0.000 0.635 629 A CB -0.498 18.676 19.000 0.290 0.000 0.810 629 A HN 0.309 nan 8.150 nan 0.000 0.446 630 L N -0.167 121.134 121.223 0.130 0.000 2.027 630 L HA -0.100 3.290 4.340 -1.583 0.000 0.206 630 L C 2.417 179.353 176.870 0.109 0.000 1.074 630 L CA 1.838 56.735 54.840 0.096 0.000 0.745 630 L CB -0.482 41.587 42.059 0.017 0.000 0.898 630 L HN 0.158 nan 8.230 nan 0.000 0.433 631 V N -0.030 119.948 119.914 0.106 0.000 2.287 631 V HA -0.263 2.907 4.120 -1.583 0.000 0.248 631 V C 2.644 178.827 176.094 0.149 0.000 1.053 631 V CA 1.945 64.312 62.300 0.111 0.000 1.027 631 V CB -0.762 31.126 31.823 0.108 0.000 0.646 631 V HN 0.474 nan 8.190 nan 0.000 0.447 632 E N -0.080 120.253 120.200 0.222 0.000 2.072 632 E HA -0.155 3.246 4.350 -1.583 0.000 0.191 632 E C 2.184 178.944 176.600 0.268 0.000 0.985 632 E CA 1.267 57.852 56.400 0.308 0.000 0.801 632 E CB -0.373 29.581 29.700 0.423 0.000 0.750 632 E HN 0.577 nan 8.360 nan 0.000 0.452 633 I N 1.906 122.672 120.570 0.326 0.000 2.194 633 I HA -0.302 2.919 4.170 -1.583 0.000 0.246 633 I C 2.127 178.360 176.117 0.194 0.000 1.093 633 I CA 1.057 62.583 61.300 0.376 0.000 1.355 633 I CB -0.289 37.949 38.000 0.397 0.000 1.046 633 I HN 0.092 nan 8.210 nan 0.000 0.413 634 N N 0.562 119.330 118.700 0.113 0.000 2.300 634 N HA -0.039 3.752 4.740 -1.583 0.000 0.179 634 N C 1.997 177.505 175.510 -0.003 0.000 1.016 634 N CA 1.107 54.177 53.050 0.034 0.000 0.876 634 N CB 0.063 38.561 38.487 0.018 0.000 0.979 634 N HN 0.357 nan 8.380 nan 0.000 0.432 635 I N 1.442 121.998 120.570 -0.023 0.000 2.226 635 I HA -0.242 2.979 4.170 -1.583 0.000 0.245 635 I C 2.404 178.389 176.117 -0.220 0.000 1.100 635 I CA 0.832 62.058 61.300 -0.124 0.000 1.374 635 I CB -0.193 37.688 38.000 -0.198 0.000 1.057 635 I HN 0.066 nan 8.210 nan 0.000 0.413 636 A N 0.133 122.774 122.820 -0.297 0.000 1.930 636 A HA -0.119 3.251 4.320 -1.583 0.000 0.217 636 A C 2.409 179.966 177.584 -0.045 0.000 1.175 636 A CA 1.354 53.183 52.037 -0.346 0.000 0.627 636 A CB -0.797 17.764 19.000 -0.732 0.000 0.815 636 A HN 0.231 nan 8.150 nan 0.000 0.443 637 V N 0.153 120.074 119.914 0.012 0.000 2.261 637 V HA -0.273 2.898 4.120 -1.583 0.000 0.246 637 V C 2.587 178.706 176.094 0.041 0.000 1.047 637 V CA 2.116 64.444 62.300 0.047 0.000 1.015 637 V CB -0.781 30.981 31.823 -0.102 0.000 0.642 637 V HN 0.581 nan 8.190 nan 0.000 0.446 638 L N -1.372 119.840 121.223 -0.017 0.000 2.046 638 L HA -0.216 3.174 4.340 -1.583 0.000 0.208 638 L C 2.492 179.402 176.870 0.067 0.000 1.077 638 L CA 2.018 56.858 54.840 0.002 0.000 0.747 638 L CB -0.737 41.317 42.059 -0.008 0.000 0.896 638 L HN 0.422 nan 8.230 nan 0.000 0.432 639 Y N 0.402 120.659 120.300 -0.073 0.000 2.181 639 Y HA -0.260 3.340 4.550 -1.582 0.000 0.288 639 Y C 2.741 178.630 175.900 -0.019 0.000 1.146 639 Y CA 1.754 59.800 58.100 -0.090 0.000 1.164 639 Y CB -0.203 38.130 38.460 -0.211 0.000 0.982 639 Y HN 0.055 nan 8.280 nan 0.000 0.515 640 S N -0.009 115.695 115.700 0.006 0.000 2.368 640 S HA -0.137 3.383 4.470 -1.583 0.000 0.224 640 S C 1.757 176.354 174.600 -0.005 0.000 1.029 640 S CA 1.380 59.569 58.200 -0.019 0.000 0.988 640 S CB -0.646 62.644 63.200 0.150 0.000 0.838 640 S HN 0.430 nan 8.310 nan 0.000 0.462 641 F N 2.039 121.939 119.950 -0.083 0.000 2.113 641 F HA -0.092 3.485 4.527 -1.583 0.000 0.297 641 F C 2.634 178.374 175.800 -0.100 0.000 1.103 641 F CA 1.097 59.065 58.000 -0.053 0.000 1.248 641 F CB -0.745 38.250 39.000 -0.008 0.000 0.999 641 F HN 0.204 nan 8.300 nan 0.000 0.475 642 Q N -0.587 119.242 119.800 0.048 0.000 2.050 642 Q HA -0.179 3.211 4.340 -1.583 0.000 0.202 642 Q C 2.391 178.298 176.000 -0.155 0.000 0.980 642 Q CA 2.003 57.770 55.803 -0.060 0.000 0.840 642 Q CB -0.493 28.203 28.738 -0.070 0.000 0.898 642 Q HN 0.238 nan 8.270 nan 0.000 0.424 643 S N 0.986 116.506 115.700 -0.301 0.000 2.383 643 S HA -0.134 3.387 4.470 -1.583 0.000 0.229 643 S C 0.995 175.476 174.600 -0.198 0.000 1.030 643 S CA 1.331 59.331 58.200 -0.334 0.000 1.002 643 S CB -0.159 62.697 63.200 -0.574 0.000 0.829 643 S HN 0.328 nan 8.310 nan 0.000 0.467 644 D N 0.336 120.631 120.400 -0.175 0.000 2.328 644 D HA 0.155 3.845 4.640 -1.583 0.000 0.226 644 D C 0.278 176.509 176.300 -0.114 0.000 1.066 644 D CA 0.198 54.113 54.000 -0.141 0.000 0.861 644 D CB -0.069 40.628 40.800 -0.172 0.000 0.912 644 D HN 0.090 nan 8.370 nan 0.000 0.521 645 K N -0.396 119.946 120.400 -0.097 0.000 3.150 645 K HA -0.139 3.232 4.320 -1.583 0.000 0.267 645 K C -1.205 175.360 176.600 -0.058 0.000 1.028 645 K CA 0.172 56.416 56.287 -0.072 0.000 0.753 645 K CB -1.396 31.063 32.500 -0.068 0.000 1.288 645 K HN -0.014 nan 8.250 nan 0.000 0.473 646 V N 1.440 121.332 119.914 -0.037 0.000 2.384 646 V HA 0.252 3.422 4.120 -1.583 0.000 0.287 646 V C 0.570 176.744 176.094 0.133 0.000 1.020 646 V CA -0.756 61.552 62.300 0.013 0.000 0.850 646 V CB 1.862 33.615 31.823 -0.117 0.000 0.987 646 V HN 0.332 nan 8.190 nan 0.000 0.436 647 T N 6.491 121.074 114.554 0.049 0.000 2.905 647 T HA 0.341 3.742 4.350 -1.583 0.000 0.299 647 T C -0.235 174.529 174.700 0.106 0.000 1.024 647 T CA 0.911 62.965 62.100 -0.077 0.000 1.151 647 T CB 0.125 68.779 68.868 -0.356 0.000 0.987 647 T HN 0.589 nan 8.240 nan 0.000 0.535 648 I N 2.411 122.994 120.570 0.022 0.000 2.918 648 I HA 0.649 3.870 4.170 -1.583 0.000 0.301 648 I C -1.481 174.666 176.117 0.051 0.000 1.312 648 I CA -1.009 60.343 61.300 0.087 0.000 1.007 648 I CB 1.991 39.971 38.000 -0.035 0.000 1.281 648 I HN 0.454 nan 8.210 nan 0.000 0.440 649 V N 5.046 125.056 119.914 0.159 0.000 2.604 649 V HA 0.498 3.668 4.120 -1.583 0.000 0.305 649 V C -1.139 175.010 176.094 0.091 0.000 1.043 649 V CA -0.297 62.090 62.300 0.145 0.000 0.888 649 V CB 2.151 34.148 31.823 0.290 0.000 0.995 649 V HN 0.883 nan 8.190 nan 0.000 0.429 650 D N 3.969 124.399 120.400 0.050 0.000 2.344 650 D HA 0.159 3.850 4.640 -1.583 0.000 0.244 650 D C 1.296 177.588 176.300 -0.014 0.000 1.134 650 D CA 0.133 54.141 54.000 0.014 0.000 0.930 650 D CB 0.516 41.294 40.800 -0.037 0.000 1.175 650 D HN 0.740 nan 8.370 nan 0.000 0.437 651 H N 0.627 119.631 119.070 -0.110 0.000 2.456 651 H HA -0.168 3.438 4.556 -1.583 0.000 0.296 651 H C 0.930 176.156 175.328 -0.169 0.000 1.079 651 H CA 1.368 57.316 56.048 -0.166 0.000 1.322 651 H CB -0.564 29.048 29.762 -0.249 0.000 1.388 651 H HN 0.543 nan 8.280 nan 0.000 0.538 652 H N 0.770 119.644 119.070 -0.328 0.000 2.299 652 H HA -0.080 3.526 4.556 -1.582 0.000 0.302 652 H C 2.533 177.842 175.328 -0.032 0.000 1.078 652 H CA 1.467 57.420 56.048 -0.158 0.000 1.323 652 H CB -0.264 29.377 29.762 -0.201 0.000 1.381 652 H HN 0.412 nan 8.280 nan 0.000 0.498 653 S N 0.602 116.353 115.700 0.086 0.000 2.368 653 S HA -0.129 3.391 4.470 -1.583 0.000 0.225 653 S C 2.432 177.103 174.600 0.118 0.000 1.030 653 S CA 1.219 59.474 58.200 0.092 0.000 0.999 653 S CB -0.311 62.934 63.200 0.075 0.000 0.844 653 S HN 0.464 nan 8.310 nan 0.000 0.459 654 A N 0.968 123.859 122.820 0.117 0.000 1.877 654 A HA -0.088 3.282 4.320 -1.583 0.000 0.216 654 A C 2.534 180.218 177.584 0.165 0.000 1.186 654 A CA 2.522 54.648 52.037 0.149 0.000 0.620 654 A CB -1.726 17.352 19.000 0.130 0.000 0.822 654 A HN 0.802 nan 8.150 nan 0.000 0.443 655 T N -2.359 112.276 114.554 0.135 0.000 2.857 655 T HA -0.119 3.282 4.350 -1.583 0.000 0.266 655 T C 1.760 176.590 174.700 0.217 0.000 1.048 655 T CA 1.384 63.585 62.100 0.169 0.000 1.139 655 T CB -0.355 68.580 68.868 0.112 0.000 0.874 655 T HN 0.575 nan 8.240 nan 0.000 0.455 656 E N 1.090 121.392 120.200 0.170 0.000 2.085 656 E HA -0.153 3.248 4.350 -1.583 0.000 0.194 656 E C 2.343 179.035 176.600 0.153 0.000 0.994 656 E CA 1.329 57.819 56.400 0.150 0.000 0.801 656 E CB -0.244 29.526 29.700 0.116 0.000 0.743 656 E HN 0.540 nan 8.360 nan 0.000 0.453 657 S N 0.105 115.905 115.700 0.167 0.000 2.368 657 S HA -0.151 3.369 4.470 -1.583 0.000 0.225 657 S C 1.481 176.205 174.600 0.205 0.000 1.030 657 S CA 1.119 59.418 58.200 0.165 0.000 0.999 657 S CB -0.399 62.903 63.200 0.168 0.000 0.844 657 S HN 0.389 nan 8.310 nan 0.000 0.459 658 F N 2.013 122.033 119.950 0.116 0.000 2.234 658 F HA -0.023 3.554 4.527 -1.583 0.000 0.299 658 F C 1.769 177.663 175.800 0.157 0.000 1.087 658 F CA 0.852 58.942 58.000 0.150 0.000 1.340 658 F CB -0.148 38.923 39.000 0.117 0.000 1.031 658 F HN 0.096 nan 8.300 nan 0.000 0.500 659 I N 0.673 121.341 120.570 0.164 0.000 2.252 659 I HA -0.270 2.950 4.170 -1.583 0.000 0.245 659 I C 2.429 178.529 176.117 -0.028 0.000 1.102 659 I CA 1.335 62.668 61.300 0.054 0.000 1.385 659 I CB -1.261 36.814 38.000 0.125 0.000 1.064 659 I HN 0.206 nan 8.210 nan 0.000 0.414 660 K N 0.081 120.496 120.400 0.024 0.000 2.057 660 K HA -0.266 3.104 4.320 -1.583 0.000 0.207 660 K C 2.306 178.904 176.600 -0.005 0.000 1.049 660 K CA 1.682 57.980 56.287 0.019 0.000 0.931 660 K CB -0.202 32.329 32.500 0.052 0.000 0.714 660 K HN 0.302 nan 8.250 nan 0.000 0.440 661 H N 0.468 119.461 119.070 -0.129 0.000 2.357 661 H HA -0.074 3.533 4.556 -1.582 0.000 0.301 661 H C 2.067 177.249 175.328 -0.245 0.000 1.082 661 H CA 2.145 58.090 56.048 -0.171 0.000 1.342 661 H CB -0.090 29.555 29.762 -0.195 0.000 1.389 661 H HN 0.166 nan 8.280 nan 0.000 0.511 662 M N 0.203 119.498 119.600 -0.509 0.000 2.086 662 M HA -0.159 3.371 4.480 -1.583 0.000 0.261 662 M C 1.880 178.117 176.300 -0.105 0.000 1.067 662 M CA 2.119 57.169 55.300 -0.417 0.000 1.116 662 M CB 0.021 32.384 32.600 -0.395 0.000 1.348 662 M HN 0.404 nan 8.290 nan 0.000 0.407 663 E N 0.149 120.290 120.200 -0.098 0.000 2.118 663 E HA -0.203 3.197 4.350 -1.583 0.000 0.195 663 E C 1.694 178.281 176.600 -0.022 0.000 0.992 663 E CA 1.287 57.667 56.400 -0.033 0.000 0.804 663 E CB -0.296 29.378 29.700 -0.043 0.000 0.741 663 E HN 0.588 nan 8.360 nan 0.000 0.458 664 N N 0.897 119.550 118.700 -0.079 0.000 2.084 664 N HA -0.145 3.645 4.740 -1.583 0.000 0.190 664 N C 1.666 177.113 175.510 -0.105 0.000 1.030 664 N CA 0.936 53.946 53.050 -0.067 0.000 0.849 664 N CB -0.127 38.339 38.487 -0.036 0.000 1.012 664 N HN 0.174 nan 8.380 nan 0.000 0.423 665 E N 0.191 120.249 120.200 -0.238 0.000 2.110 665 E HA -0.133 3.267 4.350 -1.583 0.000 0.193 665 E C 1.918 178.372 176.600 -0.243 0.000 0.988 665 E CA 0.741 56.965 56.400 -0.294 0.000 0.804 665 E CB -0.435 28.969 29.700 -0.493 0.000 0.745 665 E HN 0.497 nan 8.360 nan 0.000 0.458 666 Y N 1.576 121.776 120.300 -0.167 0.000 2.145 666 Y HA -0.184 3.417 4.550 -1.583 0.000 0.286 666 Y C 2.609 178.453 175.900 -0.093 0.000 1.145 666 Y CA 1.989 60.022 58.100 -0.112 0.000 1.148 666 Y CB -0.130 38.273 38.460 -0.094 0.000 0.981 666 Y HN 0.101 nan 8.280 nan 0.000 0.507 667 R N -1.895 118.635 120.500 0.051 0.000 2.115 667 R HA -0.040 3.350 4.340 -1.583 0.000 0.226 667 R C 1.867 178.150 176.300 -0.027 0.000 1.100 667 R CA 1.600 57.705 56.100 0.009 0.000 0.980 667 R CB -1.148 29.157 30.300 0.008 0.000 0.875 667 R HN 0.242 nan 8.270 nan 0.000 0.445 668 C N -0.265 119.008 119.300 -0.046 0.000 2.551 668 C HA 0.308 3.818 4.460 -1.583 0.000 0.277 668 C C 2.248 177.196 174.990 -0.070 0.000 1.349 668 C CA -0.079 58.913 59.018 -0.044 0.000 1.750 668 C CB -0.397 27.332 27.740 -0.017 0.000 2.058 668 C HN 0.503 nan 8.230 nan 0.000 0.518 669 R N -0.531 119.897 120.500 -0.121 0.000 2.517 669 R HA 0.231 3.621 4.340 -1.583 0.000 0.265 669 R C 1.335 177.522 176.300 -0.188 0.000 0.921 669 R CA 0.856 56.868 56.100 -0.147 0.000 1.054 669 R CB 0.540 30.729 30.300 -0.184 0.000 1.340 669 R HN 0.438 nan 8.270 nan 0.000 0.551 670 G N 0.107 108.781 108.800 -0.210 0.000 2.143 670 G HA2 -0.183 2.828 3.960 -1.583 0.000 0.249 670 G HA3 -0.183 2.828 3.960 -1.583 0.000 0.249 670 G C 0.120 174.765 174.900 -0.425 0.000 0.981 670 G CA 0.129 45.084 45.100 -0.241 0.000 0.665 670 G HN 0.763 nan 8.290 nan 0.000 0.528 671 G N -2.399 105.985 108.800 -0.693 0.000 2.320 671 G HA2 0.550 3.560 3.960 -1.583 0.000 0.297 671 G HA3 0.550 3.560 3.960 -1.583 0.000 0.297 671 G C -0.937 173.481 174.900 -0.803 0.000 1.344 671 G CA 0.402 44.794 45.100 -1.179 0.000 0.851 671 G HN 1.882 nan 8.290 nan 0.000 0.567 672 C N 2.057 121.018 119.300 -0.566 0.000 2.968 672 C HA 0.660 4.170 4.460 -1.583 0.000 0.389 672 C C -2.596 172.305 174.990 -0.149 0.000 1.068 672 C CA -1.119 57.736 59.018 -0.271 0.000 1.272 672 C CB 0.924 28.521 27.740 -0.237 0.000 1.711 672 C HN 0.694 nan 8.230 nan 0.000 0.501 673 P HA 0.414 nan 4.420 nan 0.000 0.267 673 P C -0.619 176.583 177.300 -0.163 0.000 1.205 673 P CA 0.598 63.310 63.100 -0.646 0.000 0.765 673 P CB 1.104 32.251 31.700 -0.923 0.000 0.828 674 A N 2.401 125.202 122.820 -0.033 0.000 2.488 674 A HA 0.435 3.806 4.320 -1.583 0.000 0.298 674 A C -1.216 176.442 177.584 0.122 0.000 1.044 674 A CA -0.529 51.590 52.037 0.137 0.000 0.693 674 A CB 1.308 20.527 19.000 0.364 0.000 1.272 674 A HN 0.446 nan 8.150 nan 0.000 0.402 675 D N 1.915 122.378 120.400 0.106 0.000 2.454 675 D HA 0.173 3.863 4.640 -1.583 0.000 0.225 675 D C 0.667 177.128 176.300 0.268 0.000 1.081 675 D CA -0.488 53.612 54.000 0.166 0.000 0.864 675 D CB 0.479 41.328 40.800 0.081 0.000 1.040 675 D HN 0.607 nan 8.370 nan 0.000 0.517 676 W N 4.081 125.434 121.300 0.090 0.000 2.363 676 W HA -0.202 3.508 4.660 -1.582 0.000 0.296 676 W C 1.575 178.135 176.519 0.068 0.000 1.212 676 W CA 0.897 58.275 57.345 0.056 0.000 1.260 676 W CB 0.131 29.601 29.460 0.018 0.000 1.131 676 W HN 0.293 nan 8.180 nan 0.000 0.530 677 V N -0.078 120.168 119.914 0.555 0.000 2.453 677 V HA -0.324 2.846 4.120 -1.583 0.000 0.252 677 V C 1.479 177.624 176.094 0.085 0.000 1.068 677 V CA 2.149 64.681 62.300 0.387 0.000 1.070 677 V CB -0.924 31.136 31.823 0.395 0.000 0.664 677 V HN 0.326 nan 8.190 nan 0.000 0.461 678 W N -1.617 119.682 121.300 -0.002 0.000 2.683 678 W HA 0.247 3.957 4.660 -1.584 0.000 0.267 678 W C 2.163 178.588 176.519 -0.156 0.000 1.243 678 W CA -0.089 57.222 57.345 -0.056 0.000 1.380 678 W CB -0.140 29.310 29.460 -0.016 0.000 1.063 678 W HN 0.063 nan 8.180 nan 0.000 0.599 679 I N 0.016 120.565 120.570 -0.034 0.000 2.353 679 I HA -0.071 3.150 4.170 -1.583 0.000 0.248 679 I C 0.657 176.578 176.117 -0.327 0.000 1.119 679 I CA 0.792 61.940 61.300 -0.252 0.000 1.417 679 I CB -1.515 36.241 38.000 -0.406 0.000 1.078 679 I HN -0.395 nan 8.210 nan 0.000 0.421 680 V N 4.221 123.847 119.914 -0.480 0.000 2.479 680 V HA 0.069 3.240 4.120 -1.583 0.000 0.281 680 V C -1.869 174.041 176.094 -0.307 0.000 1.031 680 V CA -1.006 60.987 62.300 -0.512 0.000 1.038 680 V CB 0.037 31.269 31.823 -0.985 0.000 0.981 680 V HN 0.127 nan 8.190 nan 0.000 0.478 681 P HA 0.136 nan 4.420 nan 0.000 0.269 681 P C -1.908 175.262 177.300 -0.218 0.000 1.215 681 P CA -1.166 61.812 63.100 -0.205 0.000 0.780 681 P CB 0.042 31.623 31.700 -0.197 0.000 0.898 682 P HA 0.026 nan 4.420 nan 0.000 0.245 682 P C -0.042 177.144 177.300 -0.190 0.000 1.212 682 P CA 1.011 63.993 63.100 -0.196 0.000 0.774 682 P CB 0.017 31.601 31.700 -0.192 0.000 0.999 683 M N -4.602 114.849 119.600 -0.249 0.000 2.550 683 M HA 0.537 4.068 4.480 -1.583 0.000 0.292 683 M C -0.297 175.882 176.300 -0.201 0.000 1.221 683 M CA -0.632 54.535 55.300 -0.222 0.000 0.873 683 M CB 2.016 34.463 32.600 -0.255 0.000 1.727 683 M HN -0.368 nan 8.290 nan 0.000 0.459 684 S N 0.682 116.319 115.700 -0.105 0.000 3.533 684 S HA -0.178 3.343 4.470 -1.583 0.000 0.347 684 S C 1.112 175.679 174.600 -0.056 0.000 1.101 684 S CA 0.875 59.054 58.200 -0.035 0.000 1.009 684 S CB -1.903 61.351 63.200 0.090 0.000 0.916 684 S HN 1.205 nan 8.310 nan 0.000 0.496 685 G N 2.160 110.895 108.800 -0.107 0.000 2.599 685 G HA2 -0.340 2.671 3.960 -1.583 0.000 0.219 685 G HA3 -0.340 2.671 3.960 -1.583 0.000 0.219 685 G C 1.466 176.249 174.900 -0.196 0.000 1.193 685 G CA 1.620 46.668 45.100 -0.087 0.000 0.778 685 G HN 1.269 nan 8.290 nan 0.000 0.589 686 S N 0.656 115.990 115.700 -0.611 0.000 2.522 686 S HA 0.040 3.560 4.470 -1.583 0.000 0.227 686 S C 2.141 176.704 174.600 -0.061 0.000 0.986 686 S CA 0.935 58.642 58.200 -0.822 0.000 0.929 686 S CB -0.364 62.161 63.200 -1.125 0.000 0.769 686 S HN 0.764 nan 8.310 nan 0.000 0.529 687 I N 0.811 121.389 120.570 0.014 0.000 3.793 687 I HA 0.237 3.457 4.170 -1.583 0.000 0.315 687 I C 0.431 176.682 176.117 0.224 0.000 1.275 687 I CA -0.228 61.156 61.300 0.140 0.000 1.214 687 I CB -0.577 37.499 38.000 0.126 0.000 1.018 687 I HN 0.201 nan 8.210 nan 0.000 0.439 688 T N -1.512 113.169 114.554 0.211 0.000 2.902 688 T HA 0.458 3.859 4.350 -1.583 0.000 0.283 688 T C -1.635 173.240 174.700 0.292 0.000 1.009 688 T CA -1.929 60.307 62.100 0.226 0.000 1.051 688 T CB 1.604 70.555 68.868 0.139 0.000 0.999 688 T HN -0.079 nan 8.240 nan 0.000 0.474 689 P HA -0.031 nan 4.420 nan 0.000 0.225 689 P C 1.772 179.278 177.300 0.343 0.000 1.156 689 P CA 0.613 63.904 63.100 0.319 0.000 0.787 689 P CB -0.303 31.525 31.700 0.214 0.000 0.802 690 V N -3.926 116.135 119.914 0.245 0.000 2.626 690 V HA -0.177 2.993 4.120 -1.583 0.000 0.252 690 V C 2.320 178.494 176.094 0.133 0.000 1.067 690 V CA 1.029 63.436 62.300 0.177 0.000 1.081 690 V CB -2.209 29.643 31.823 0.048 0.000 0.686 690 V HN -0.126 nan 8.190 nan 0.000 0.468 691 F N 1.910 121.846 119.950 -0.023 0.000 2.120 691 F HA -0.204 3.373 4.527 -1.583 0.000 0.300 691 F C 2.478 178.401 175.800 0.205 0.000 1.095 691 F CA 2.383 60.382 58.000 -0.002 0.000 1.249 691 F CB -0.274 38.610 39.000 -0.194 0.000 0.995 691 F HN 0.288 nan 8.300 nan 0.000 0.480 692 H N -1.274 118.105 119.070 0.515 0.000 2.539 692 H HA 0.098 3.704 4.556 -1.583 0.000 0.267 692 H C 0.303 175.869 175.328 0.396 0.000 0.982 692 H CA 0.182 56.497 56.048 0.444 0.000 1.146 692 H CB -0.098 29.909 29.762 0.408 0.000 1.382 692 H HN 0.229 nan 8.280 nan 0.000 0.577 693 Q N 2.096 122.167 119.800 0.451 0.000 2.360 693 Q HA 0.137 3.527 4.340 -1.583 0.000 0.254 693 Q C -0.575 175.652 176.000 0.379 0.000 0.975 693 Q CA -0.342 55.675 55.803 0.358 0.000 0.912 693 Q CB 0.565 29.488 28.738 0.308 0.000 1.212 693 Q HN 0.242 nan 8.270 nan 0.000 0.452 694 E N 3.503 123.873 120.200 0.282 0.000 2.413 694 E HA 0.177 3.577 4.350 -1.583 0.000 0.263 694 E C -0.469 176.258 176.600 0.211 0.000 1.015 694 E CA 0.481 57.006 56.400 0.208 0.000 0.916 694 E CB 0.701 30.504 29.700 0.171 0.000 0.947 694 E HN 0.596 nan 8.360 nan 0.000 0.440 695 M N 2.425 122.162 119.600 0.227 0.000 2.550 695 M HA 0.413 3.944 4.480 -1.583 0.000 0.292 695 M C -1.071 175.354 176.300 0.209 0.000 1.221 695 M CA -0.711 54.745 55.300 0.259 0.000 0.873 695 M CB 1.769 34.575 32.600 0.343 0.000 1.727 695 M HN 0.243 nan 8.290 nan 0.000 0.459 696 L N 1.577 122.943 121.223 0.238 0.000 2.322 696 L HA 0.515 3.905 4.340 -1.583 0.000 0.281 696 L C -0.524 176.467 176.870 0.203 0.000 1.014 696 L CA -0.420 54.566 54.840 0.243 0.000 0.815 696 L CB 1.701 43.955 42.059 0.326 0.000 1.247 696 L HN 0.697 nan 8.230 nan 0.000 0.421 697 N N 2.850 121.656 118.700 0.176 0.000 2.408 697 N HA 0.549 4.339 4.740 -1.583 0.000 0.280 697 N C -1.732 173.879 175.510 0.168 0.000 1.002 697 N CA -0.374 52.713 53.050 0.062 0.000 0.907 697 N CB 1.333 39.862 38.487 0.070 0.000 1.161 697 N HN 0.494 nan 8.380 nan 0.000 0.488 698 Y N 0.051 120.376 120.300 0.040 0.000 2.656 698 Y HA 0.474 4.075 4.550 -1.582 0.000 0.334 698 Y C -1.386 174.521 175.900 0.011 0.000 1.179 698 Y CA -1.339 56.779 58.100 0.032 0.000 1.050 698 Y CB 0.823 39.315 38.460 0.053 0.000 1.308 698 Y HN 0.185 nan 8.280 nan 0.000 0.456 699 R N 2.485 123.085 120.500 0.167 0.000 2.265 699 R HA 0.613 4.003 4.340 -1.583 0.000 0.328 699 R C -1.395 174.962 176.300 0.095 0.000 0.969 699 R CA -0.630 55.507 56.100 0.061 0.000 0.832 699 R CB 1.456 31.778 30.300 0.037 0.000 1.139 699 R HN 0.696 nan 8.270 nan 0.000 0.457 700 L N 1.761 123.011 121.223 0.045 0.000 2.330 700 L HA 0.524 3.915 4.340 -1.583 0.000 0.271 700 L C 0.624 177.496 176.870 0.004 0.000 1.013 700 L CA -0.852 54.016 54.840 0.047 0.000 0.816 700 L CB 2.188 44.272 42.059 0.041 0.000 1.287 700 L HN 0.623 nan 8.230 nan 0.000 0.435 701 T N -1.104 113.462 114.554 0.020 0.000 2.918 701 T HA 0.587 3.987 4.350 -1.583 0.000 0.286 701 T C -2.652 172.083 174.700 0.057 0.000 1.026 701 T CA -2.256 59.851 62.100 0.012 0.000 1.031 701 T CB 1.634 70.515 68.868 0.022 0.000 1.046 701 T HN 0.183 nan 8.240 nan 0.000 0.479 702 P HA 0.299 nan 4.420 nan 0.000 0.268 702 P C -0.547 176.659 177.300 -0.157 0.000 1.208 702 P CA -0.129 62.936 63.100 -0.059 0.000 0.777 702 P CB 0.478 32.142 31.700 -0.060 0.000 0.875 703 S N 0.367 115.919 115.700 -0.246 0.000 2.570 703 S HA 0.675 4.195 4.470 -1.583 0.000 0.270 703 S C -1.264 173.082 174.600 -0.423 0.000 1.149 703 S CA -0.836 57.197 58.200 -0.278 0.000 0.837 703 S CB 0.758 63.879 63.200 -0.131 0.000 1.124 703 S HN 0.116 nan 8.310 nan 0.000 0.465 704 F N 1.197 121.079 119.950 -0.114 0.000 2.421 704 F HA 0.652 4.229 4.527 -1.584 0.000 0.337 704 F C 0.917 176.617 175.800 -0.167 0.000 1.105 704 F CA -0.368 57.565 58.000 -0.112 0.000 1.049 704 F CB 1.312 40.232 39.000 -0.133 0.000 1.139 704 F HN 0.496 nan 8.300 nan 0.000 0.479 705 E N 1.570 121.797 120.200 0.045 0.000 2.392 705 E HA 0.298 3.699 4.350 -1.583 0.000 0.269 705 E C -1.303 175.253 176.600 -0.073 0.000 0.924 705 E CA -0.907 55.437 56.400 -0.093 0.000 0.784 705 E CB 2.148 31.832 29.700 -0.027 0.000 1.292 705 E HN 0.501 nan 8.360 nan 0.000 0.447 706 Y N 0.737 121.051 120.300 0.024 0.000 2.298 706 Y HA 0.180 3.780 4.550 -1.584 0.000 0.329 706 Y C 1.024 176.915 175.900 -0.015 0.000 1.293 706 Y CA -0.231 57.870 58.100 0.001 0.000 1.388 706 Y CB 0.973 39.420 38.460 -0.020 0.000 1.309 706 Y HN 0.303 nan 8.280 nan 0.000 0.544 707 Q N 0.187 120.071 119.800 0.141 0.000 2.462 707 Q HA 0.548 3.939 4.340 -1.583 0.000 0.285 707 Q C -3.121 172.838 176.000 -0.067 0.000 1.035 707 Q CA -2.515 53.302 55.803 0.023 0.000 0.799 707 Q CB 1.558 30.299 28.738 0.005 0.000 1.452 707 Q HN 0.280 nan 8.270 nan 0.000 0.404 708 P HA 0.077 nan 4.420 nan 0.000 0.268 708 P C -0.946 176.128 177.300 -0.377 0.000 1.204 708 P CA 0.019 62.989 63.100 -0.217 0.000 0.768 708 P CB 0.320 31.907 31.700 -0.189 0.000 0.842 709 D N 4.827 124.891 120.400 -0.560 0.000 2.583 709 D HA -0.069 3.621 4.640 -1.583 0.000 0.232 709 D C -1.108 174.519 176.300 -1.122 0.000 1.128 709 D CA -0.548 52.814 54.000 -1.063 0.000 0.859 709 D CB 0.296 40.109 40.800 -1.645 0.000 1.169 709 D HN 0.271 nan 8.370 nan 0.000 0.481 710 P HA -0.131 nan 4.420 nan 0.000 0.220 710 P C 1.438 178.223 177.300 -0.857 0.000 1.148 710 P CA 1.078 63.600 63.100 -0.963 0.000 0.803 710 P CB -0.118 30.782 31.700 -1.333 0.000 0.782 711 W N 0.549 121.359 121.300 -0.816 0.000 2.467 711 W HA 0.049 3.756 4.660 -1.588 0.000 0.275 711 W C 1.441 177.930 176.519 -0.050 0.000 1.239 711 W CA 0.472 57.608 57.345 -0.349 0.000 1.266 711 W CB -2.221 27.200 29.460 -0.065 0.000 1.112 711 W HN -0.180 nan 8.180 nan 0.000 0.576 712 N N 0.557 119.111 118.700 -0.243 0.000 2.309 712 N HA -0.090 3.701 4.740 -1.583 0.000 0.182 712 N C 1.313 176.781 175.510 -0.070 0.000 1.018 712 N CA 2.035 55.031 53.050 -0.089 0.000 0.876 712 N CB -0.490 37.870 38.487 -0.211 0.000 0.972 712 N HN 0.299 nan 8.380 nan 0.000 0.434 713 T N -0.742 113.723 114.554 -0.148 0.000 3.146 713 T HA -0.040 3.360 4.350 -1.583 0.000 0.235 713 T C 0.483 175.143 174.700 -0.066 0.000 0.985 713 T CA -0.093 61.941 62.100 -0.110 0.000 1.265 713 T CB -0.436 68.335 68.868 -0.162 0.000 0.946 713 T HN 0.295 nan 8.240 nan 0.000 0.418 714 H N 2.948 121.904 119.070 -0.190 0.000 3.152 714 H HA 0.176 3.786 4.556 -1.577 0.000 0.319 714 H C -0.386 174.811 175.328 -0.219 0.000 0.994 714 H CA -0.162 55.767 56.048 -0.199 0.000 1.370 714 H CB 0.223 29.855 29.762 -0.216 0.000 1.322 714 H HN 0.091 nan 8.280 nan 0.000 0.590 715 V N 3.647 123.070 119.914 -0.818 0.000 2.394 715 V HA 0.274 3.445 4.120 -1.583 0.000 0.282 715 V C 0.081 175.683 176.094 -0.820 0.000 1.031 715 V CA -1.181 60.769 62.300 -0.583 0.000 0.881 715 V CB 0.297 31.979 31.823 -0.235 0.000 0.982 715 V HN 0.716 nan 8.190 nan 0.000 0.451 716 W N 0.000 121.148 121.300 -0.253 0.000 2.388 716 W HA 0.000 3.704 4.660 -1.593 0.000 0.303 716 W CA 0.000 57.330 57.345 -0.024 0.000 1.226 716 W CB 0.000 29.515 29.460 0.093 0.000 1.126 716 W HN 0.000 nan 8.180 nan 0.000 0.535