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 3pe3_1_D DATA FIRST_RESID 312 DATA SEQUENCE SCPTHADSLN NLANIKREQG NIEEAVRLYR KALEVFPEFA AAHSNLASVL DATA SEQUENCE QQQGKLQEAL MHYKEAIRIS PTFADAYSNM GNTLKEMQDV QGALQCYTRA DATA SEQUENCE IQINPAFADA HSNLASIHKD SGNIPEAIAS YRTALKLKPD FPDAYCNLAH DATA SEQUENCE CLQIVCDWTD YDERMKKLVS IVADQLEKNR LPSVHPHHSM LYPLSHGFRK DATA SEQUENCE AIAERHGNLC LDKINVLHKP PYEHPKDLKL SDGRLRVGYV SSDFGNHPTS DATA SEQUENCE HLMQSIPGMH NPDKFEVFCY ALSPDDGTNF RVKVMAEANH FIDLSQIPCN DATA SEQUENCE GKAADRIHQD GIHILVNMNG YTKGARNELF ALRPAPIQAM WLGYPGTSGA DATA SEQUENCE LFMDYIITDQ ETSPAEVAEQ YSEKLAYMPH TFFIGDHANM FPHLKKKAVI DATA SEQUENCE DFKXXXXIYD NRIVLNGIDL KAFLDSLPDV KIVKMKCXXX XXXXXXXXXA DATA SEQUENCE LNMPVIPMNT IAEAVIEMIN RGQIQITING FSISNGLATT QINNKAATGE DATA SEQUENCE EVPRTIIVTT RSQYGLPEDA IVYCNFNQLY KIDPSTLQMW ANILKRVPNS DATA SEQUENCE VLWLLRFPAV GEPNIQQYAQ NMGLPQNRII FSPVAPKEEH VRRGQLADVC DATA SEQUENCE LDTPLCNGHT TGMDVLWAGT PMVTMPGETL ASRVAASQLT CLGCLELIAK DATA SEQUENCE NRQEYEDIAV KLGTDLEYLK KVRGKVWKQR ISSPLFNTKQ YTMELERLYL DATA SEQUENCE QMWEHYAAGN KPDHMIK 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 312 S HA 0.000 nan 4.470 nan 0.000 0.327 312 S C 0.000 174.688 174.600 0.147 0.000 1.055 312 S CA 0.000 58.300 58.200 0.168 0.000 1.107 312 S CB 0.000 63.277 63.200 0.128 0.000 0.593 313 C N 4.997 124.361 119.300 0.106 0.000 2.285 313 C HA 0.554 5.014 4.460 -0.000 0.000 0.335 313 C C -1.254 173.666 174.990 -0.118 0.000 1.267 313 C CA -2.007 57.008 59.018 -0.006 0.000 1.762 313 C CB 0.659 28.414 27.740 0.025 0.000 2.365 313 C HN 0.319 nan 8.230 nan 0.000 0.527 314 P HA -0.029 nan 4.420 nan 0.000 0.222 314 P C 1.318 178.377 177.300 -0.402 0.000 1.153 314 P CA 1.457 64.067 63.100 -0.817 0.000 0.798 314 P CB 0.016 30.914 31.700 -1.336 0.000 0.796 315 T N -1.148 113.270 114.554 -0.227 0.000 2.857 315 T HA -0.139 4.211 4.350 -0.000 0.000 0.266 315 T C 1.786 176.491 174.700 0.008 0.000 1.048 315 T CA 1.346 63.382 62.100 -0.106 0.000 1.139 315 T CB -0.871 67.953 68.868 -0.073 0.000 0.874 315 T HN 0.230 nan 8.240 nan 0.000 0.455 316 H N 1.783 120.813 119.070 -0.067 0.000 2.326 316 H HA 0.190 4.746 4.556 -0.000 0.000 0.301 316 H C 2.230 177.582 175.328 0.041 0.000 1.081 316 H CA 1.528 57.571 56.048 -0.010 0.000 1.334 316 H CB -0.628 29.133 29.762 -0.002 0.000 1.385 316 H HN 0.274 nan 8.280 nan 0.000 0.504 317 A N 0.051 122.849 122.820 -0.037 0.000 1.969 317 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 317 A C 2.213 179.943 177.584 0.243 0.000 1.169 317 A CA 1.795 53.870 52.037 0.064 0.000 0.635 317 A CB -0.637 18.535 19.000 0.285 0.000 0.810 317 A HN 0.601 nan 8.150 nan 0.000 0.445 318 D N -0.635 119.851 120.400 0.144 0.000 2.144 318 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 318 D C 2.169 178.565 176.300 0.161 0.000 0.984 318 D CA 1.628 55.766 54.000 0.230 0.000 0.834 318 D CB -0.105 40.700 40.800 0.008 0.000 0.955 318 D HN 0.338 nan 8.370 nan 0.000 0.465 319 S N -0.926 114.815 115.700 0.070 0.000 2.356 319 S HA -0.107 4.363 4.470 -0.000 0.000 0.223 319 S C 2.184 176.792 174.600 0.013 0.000 1.032 319 S CA 1.020 59.245 58.200 0.042 0.000 1.005 319 S CB -0.495 62.737 63.200 0.052 0.000 0.867 319 S HN 0.360 nan 8.310 nan 0.000 0.449 320 L N 1.444 122.643 121.223 -0.040 0.000 2.042 320 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 320 L C 2.620 179.462 176.870 -0.046 0.000 1.076 320 L CA 1.847 56.642 54.840 -0.074 0.000 0.749 320 L CB -0.888 41.090 42.059 -0.135 0.000 0.893 320 L HN 0.438 nan 8.230 nan 0.000 0.432 321 N N 0.251 118.979 118.700 0.047 0.000 2.166 321 N HA -0.189 4.551 4.740 -0.000 0.000 0.186 321 N C 1.611 177.151 175.510 0.051 0.000 1.019 321 N CA 1.356 54.445 53.050 0.065 0.000 0.856 321 N CB -0.013 38.514 38.487 0.068 0.000 0.993 321 N HN 0.225 nan 8.380 nan 0.000 0.426 322 N N 0.175 118.909 118.700 0.057 0.000 2.188 322 N HA -0.066 4.674 4.740 -0.000 0.000 0.184 322 N C 1.587 177.089 175.510 -0.014 0.000 1.018 322 N CA 0.669 53.741 53.050 0.038 0.000 0.858 322 N CB -0.258 38.256 38.487 0.046 0.000 0.989 322 N HN 0.356 nan 8.380 nan 0.000 0.426 323 L N 0.476 121.672 121.223 -0.045 0.000 2.093 323 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 323 L C 2.352 179.133 176.870 -0.147 0.000 1.085 323 L CA 0.843 55.637 54.840 -0.076 0.000 0.755 323 L CB -0.427 41.590 42.059 -0.071 0.000 0.904 323 L HN 0.108 nan 8.230 nan 0.000 0.435 324 A N 0.088 122.755 122.820 -0.256 0.000 1.929 324 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 324 A C 2.010 179.384 177.584 -0.349 0.000 1.176 324 A CA 1.405 53.132 52.037 -0.517 0.000 0.628 324 A CB -0.459 17.815 19.000 -1.211 0.000 0.816 324 A HN 0.391 nan 8.150 nan 0.000 0.444 325 N N 0.172 118.795 118.700 -0.129 0.000 2.289 325 N HA -0.085 4.655 4.740 -0.000 0.000 0.184 325 N C 1.616 177.120 175.510 -0.010 0.000 1.016 325 N CA 1.153 54.215 53.050 0.021 0.000 0.872 325 N CB -0.349 38.187 38.487 0.081 0.000 0.973 325 N HN 0.575 nan 8.380 nan 0.000 0.433 326 I N 1.340 121.886 120.570 -0.041 0.000 2.113 326 I HA -0.223 3.947 4.170 -0.000 0.000 0.238 326 I C 1.895 177.986 176.117 -0.042 0.000 1.070 326 I CA 1.062 62.342 61.300 -0.033 0.000 1.332 326 I CB -0.113 37.865 38.000 -0.037 0.000 1.044 326 I HN -0.014 nan 8.210 nan 0.000 0.402 327 K N 0.536 120.891 120.400 -0.075 0.000 2.442 327 K HA -0.169 4.151 4.320 -0.000 0.000 0.198 327 K C 1.979 178.548 176.600 -0.051 0.000 1.044 327 K CA 0.827 57.072 56.287 -0.070 0.000 0.948 327 K CB -0.390 32.048 32.500 -0.103 0.000 0.762 327 K HN 0.360 nan 8.250 nan 0.000 0.472 328 R N 0.921 121.397 120.500 -0.040 0.000 2.127 328 R HA -0.049 4.291 4.340 -0.000 0.000 0.217 328 R C 1.438 177.743 176.300 0.010 0.000 1.074 328 R CA 0.768 56.870 56.100 0.003 0.000 0.991 328 R CB 0.312 30.647 30.300 0.058 0.000 0.895 328 R HN -0.018 nan 8.270 nan 0.000 0.450 329 E N 0.816 121.019 120.200 0.004 0.000 2.158 329 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 329 E C 1.789 178.387 176.600 -0.003 0.000 0.982 329 E CA 0.896 57.298 56.400 0.004 0.000 0.823 329 E CB 0.008 29.711 29.700 0.006 0.000 0.766 329 E HN 0.482 nan 8.360 nan 0.000 0.468 330 Q N -0.405 119.390 119.800 -0.009 0.000 2.439 330 Q HA -0.035 4.305 4.340 -0.000 0.000 0.211 330 Q C 1.106 177.101 176.000 -0.009 0.000 0.978 330 Q CA 0.856 56.653 55.803 -0.011 0.000 0.897 330 Q CB 0.081 28.810 28.738 -0.016 0.000 0.956 330 Q HN 0.411 nan 8.270 nan 0.000 0.483 331 G N 1.367 110.163 108.800 -0.008 0.000 2.195 331 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.246 331 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.246 331 G C 0.284 175.180 174.900 -0.006 0.000 0.984 331 G CA 0.184 45.280 45.100 -0.005 0.000 0.633 331 G HN 0.337 nan 8.290 nan 0.000 0.525 332 N N 1.614 120.307 118.700 -0.013 0.000 3.027 332 N HA 0.199 4.939 4.740 -0.000 0.000 0.309 332 N C 1.925 177.423 175.510 -0.019 0.000 1.222 332 N CA -0.250 52.791 53.050 -0.016 0.000 1.187 332 N CB -0.408 38.065 38.487 -0.024 0.000 1.458 332 N HN 0.324 nan 8.380 nan 0.000 0.535 333 I N 0.773 121.339 120.570 -0.006 0.000 2.264 333 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 333 I C 2.007 178.124 176.117 -0.000 0.000 1.111 333 I CA 1.135 62.437 61.300 0.004 0.000 1.382 333 I CB -0.669 37.337 38.000 0.010 0.000 1.060 333 I HN 0.549 nan 8.210 nan 0.000 0.418 334 E N 1.048 121.248 120.200 -0.000 0.000 2.110 334 E HA -0.273 4.077 4.350 -0.000 0.000 0.193 334 E C 1.846 178.438 176.600 -0.013 0.000 0.988 334 E CA 1.352 57.757 56.400 0.007 0.000 0.804 334 E CB -0.408 29.309 29.700 0.028 0.000 0.745 334 E HN 0.473 nan 8.360 nan 0.000 0.458 335 E N 1.423 121.602 120.200 -0.034 0.000 2.170 335 E HA 0.046 4.396 4.350 -0.000 0.000 0.191 335 E C 1.969 178.496 176.600 -0.122 0.000 0.981 335 E CA 1.216 57.578 56.400 -0.063 0.000 0.830 335 E CB -0.202 29.462 29.700 -0.060 0.000 0.775 335 E HN 0.254 nan 8.360 nan 0.000 0.470 336 A N 0.224 122.960 122.820 -0.140 0.000 1.877 336 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 336 A C 2.443 179.843 177.584 -0.306 0.000 1.186 336 A CA 1.672 53.528 52.037 -0.301 0.000 0.620 336 A CB -0.899 17.998 19.000 -0.171 0.000 0.822 336 A HN 0.188 nan 8.150 nan 0.000 0.443 337 V N -0.182 119.715 119.914 -0.028 0.000 2.332 337 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 337 V C 2.638 178.726 176.094 -0.010 0.000 1.055 337 V CA 2.385 64.726 62.300 0.067 0.000 1.038 337 V CB -0.786 31.059 31.823 0.035 0.000 0.651 337 V HN 0.580 nan 8.190 nan 0.000 0.450 338 R N -0.684 119.783 120.500 -0.056 0.000 2.096 338 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 338 R C 2.178 178.431 176.300 -0.079 0.000 1.127 338 R CA 1.457 57.524 56.100 -0.054 0.000 0.968 338 R CB -0.167 30.102 30.300 -0.052 0.000 0.861 338 R HN 0.460 nan 8.270 nan 0.000 0.440 339 L N -1.432 119.695 121.223 -0.159 0.000 2.162 339 L HA -0.066 4.274 4.340 -0.000 0.000 0.205 339 L C 1.898 178.676 176.870 -0.155 0.000 1.086 339 L CA 0.510 55.240 54.840 -0.184 0.000 0.778 339 L CB -0.400 41.501 42.059 -0.264 0.000 0.928 339 L HN 0.145 nan 8.230 nan 0.000 0.446 340 Y N 0.824 121.055 120.300 -0.114 0.000 2.165 340 Y HA -0.227 4.323 4.550 -0.000 0.000 0.286 340 Y C 2.776 178.577 175.900 -0.164 0.000 1.155 340 Y CA 1.174 59.174 58.100 -0.166 0.000 1.164 340 Y CB -0.577 37.765 38.460 -0.197 0.000 0.978 340 Y HN 0.052 nan 8.280 nan 0.000 0.513 341 R N 0.028 120.544 120.500 0.027 0.000 2.115 341 R HA -0.133 4.207 4.340 -0.000 0.000 0.230 341 R C 2.151 178.447 176.300 -0.007 0.000 1.111 341 R CA 1.231 57.323 56.100 -0.012 0.000 0.976 341 R CB -0.214 30.081 30.300 -0.008 0.000 0.870 341 R HN 0.350 nan 8.270 nan 0.000 0.445 342 K N 0.472 120.864 120.400 -0.013 0.000 2.025 342 K HA -0.043 4.277 4.320 -0.000 0.000 0.207 342 K C 2.197 178.794 176.600 -0.004 0.000 1.049 342 K CA 1.207 57.488 56.287 -0.010 0.000 0.933 342 K CB -0.130 32.352 32.500 -0.030 0.000 0.714 342 K HN 0.109 nan 8.250 nan 0.000 0.438 343 A N 1.462 124.277 122.820 -0.009 0.000 1.940 343 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 343 A C 2.065 179.716 177.584 0.112 0.000 1.176 343 A CA 1.395 53.463 52.037 0.052 0.000 0.631 343 A CB -0.606 18.430 19.000 0.059 0.000 0.814 343 A HN 0.184 nan 8.150 nan 0.000 0.446 344 L N -1.350 119.883 121.223 0.016 0.000 2.240 344 L HA -0.088 4.252 4.340 -0.000 0.000 0.211 344 L C 2.563 179.450 176.870 0.028 0.000 1.106 344 L CA 1.335 56.158 54.840 -0.029 0.000 0.793 344 L CB -0.345 41.617 42.059 -0.161 0.000 0.927 344 L HN 0.575 nan 8.230 nan 0.000 0.446 345 E N 0.034 120.259 120.200 0.042 0.000 2.107 345 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 345 E C 2.219 178.874 176.600 0.091 0.000 0.982 345 E CA 0.847 57.281 56.400 0.056 0.000 0.809 345 E CB 0.303 30.031 29.700 0.047 0.000 0.756 345 E HN 0.215 nan 8.360 nan 0.000 0.459 346 V N 0.310 120.296 119.914 0.119 0.000 2.307 346 V HA -0.122 3.998 4.120 -0.000 0.000 0.245 346 V C 0.680 176.936 176.094 0.269 0.000 1.045 346 V CA 1.301 63.709 62.300 0.181 0.000 1.024 346 V CB -0.111 31.811 31.823 0.164 0.000 0.651 346 V HN 0.267 nan 8.190 nan 0.000 0.449 347 F N 0.772 120.775 119.950 0.088 0.000 2.902 347 F HA 0.503 5.030 4.527 -0.000 0.000 0.368 347 F C -2.516 173.366 175.800 0.137 0.000 1.202 347 F CA -2.480 55.577 58.000 0.095 0.000 1.109 347 F CB 1.766 40.806 39.000 0.066 0.000 1.418 347 F HN 0.009 nan 8.300 nan 0.000 0.527 348 P HA -0.048 nan 4.420 nan 0.000 0.222 348 P C 0.418 177.617 177.300 -0.169 0.000 1.153 348 P CA 1.050 64.067 63.100 -0.138 0.000 0.798 348 P CB 0.317 31.985 31.700 -0.055 0.000 0.796 349 E N -0.485 119.350 120.200 -0.609 0.000 2.303 349 E HA 0.070 4.420 4.350 -0.000 0.000 0.211 349 E C -0.468 175.982 176.600 -0.249 0.000 1.223 349 E CA -0.215 55.944 56.400 -0.403 0.000 1.344 349 E CB -0.765 28.689 29.700 -0.409 0.000 1.299 349 E HN 0.174 nan 8.360 nan 0.000 0.441 350 F N 1.265 121.095 119.950 -0.200 0.000 2.303 350 F HA 0.366 4.893 4.527 -0.000 0.000 0.368 350 F C 1.137 177.057 175.800 0.199 0.000 1.105 350 F CA -1.673 56.404 58.000 0.129 0.000 1.153 350 F CB 0.329 39.455 39.000 0.211 0.000 1.362 350 F HN 0.035 nan 8.300 nan 0.000 0.511 351 A N 5.167 128.340 122.820 0.589 0.000 1.883 351 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 351 A C 2.379 180.188 177.584 0.374 0.000 1.186 351 A CA 1.920 54.215 52.037 0.431 0.000 0.624 351 A CB -1.074 18.102 19.000 0.294 0.000 0.822 351 A HN 0.789 nan 8.150 nan 0.000 0.444 352 A N -0.212 122.792 122.820 0.305 0.000 1.883 352 A HA 0.076 4.396 4.320 -0.000 0.000 0.217 352 A C 2.527 179.975 177.584 -0.227 0.000 1.186 352 A CA 2.483 54.583 52.037 0.104 0.000 0.624 352 A CB -1.096 18.003 19.000 0.165 0.000 0.822 352 A HN 1.160 nan 8.150 nan 0.000 0.444 353 A N -1.573 120.791 122.820 -0.759 0.000 1.930 353 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 353 A C 2.048 179.355 177.584 -0.462 0.000 1.175 353 A CA 1.531 53.150 52.037 -0.698 0.000 0.627 353 A CB -0.907 17.557 19.000 -0.893 0.000 0.815 353 A HN 0.656 nan 8.150 nan 0.000 0.443 354 H N -0.454 118.485 119.070 -0.217 0.000 2.319 354 H HA -0.119 4.437 4.556 -0.000 0.000 0.299 354 H C 2.671 177.872 175.328 -0.211 0.000 1.092 354 H CA 1.789 57.768 56.048 -0.115 0.000 1.302 354 H CB -0.381 29.399 29.762 0.030 0.000 1.373 354 H HN 0.559 nan 8.280 nan 0.000 0.497 355 S N 0.239 115.940 115.700 0.002 0.000 2.355 355 S HA -0.120 4.350 4.470 -0.000 0.000 0.222 355 S C 1.943 176.408 174.600 -0.224 0.000 1.031 355 S CA 1.040 59.203 58.200 -0.062 0.000 0.993 355 S CB 0.068 63.319 63.200 0.086 0.000 0.859 355 S HN 0.406 nan 8.310 nan 0.000 0.453 356 N N 1.680 120.185 118.700 -0.324 0.000 2.043 356 N HA -0.097 4.643 4.740 -0.000 0.000 0.193 356 N C 1.758 176.811 175.510 -0.762 0.000 1.037 356 N CA 1.443 54.174 53.050 -0.532 0.000 0.851 356 N CB -1.029 37.012 38.487 -0.744 0.000 1.027 356 N HN 0.404 nan 8.380 nan 0.000 0.422 357 L N 1.215 121.839 121.223 -0.998 0.000 2.081 357 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 357 L C 2.064 178.633 176.870 -0.502 0.000 1.080 357 L CA 1.778 56.182 54.840 -0.726 0.000 0.754 357 L CB -0.843 40.840 42.059 -0.625 0.000 0.893 357 L HN 0.166 nan 8.230 nan 0.000 0.433 358 A N -1.029 121.459 122.820 -0.552 0.000 1.972 358 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 358 A C 2.508 179.792 177.584 -0.500 0.000 1.169 358 A CA 1.869 53.514 52.037 -0.654 0.000 0.635 358 A CB -1.020 17.237 19.000 -1.239 0.000 0.810 358 A HN 0.681 nan 8.150 nan 0.000 0.446 359 S N -0.133 115.376 115.700 -0.317 0.000 2.436 359 S HA -0.072 4.398 4.470 -0.000 0.000 0.228 359 S C 1.790 176.370 174.600 -0.033 0.000 1.014 359 S CA 1.294 59.471 58.200 -0.038 0.000 0.950 359 S CB -0.828 62.404 63.200 0.054 0.000 0.784 359 S HN 0.895 nan 8.310 nan 0.000 0.504 360 V N 0.102 119.966 119.914 -0.084 0.000 2.535 360 V HA 0.157 4.277 4.120 -0.000 0.000 0.246 360 V C 2.428 178.501 176.094 -0.035 0.000 1.045 360 V CA 0.904 63.188 62.300 -0.027 0.000 1.058 360 V CB -1.223 30.614 31.823 0.022 0.000 0.689 360 V HN 0.447 nan 8.190 nan 0.000 0.461 361 L N 0.131 121.305 121.223 -0.081 0.000 2.079 361 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 361 L C 2.955 179.812 176.870 -0.021 0.000 1.081 361 L CA 2.480 57.283 54.840 -0.061 0.000 0.752 361 L CB -0.686 41.315 42.059 -0.097 0.000 0.896 361 L HN 0.470 nan 8.230 nan 0.000 0.433 362 Q N -0.036 119.760 119.800 -0.008 0.000 2.050 362 Q HA -0.266 4.074 4.340 -0.000 0.000 0.202 362 Q C 2.262 178.285 176.000 0.039 0.000 0.980 362 Q CA 1.678 57.510 55.803 0.047 0.000 0.840 362 Q CB -0.030 28.777 28.738 0.116 0.000 0.898 362 Q HN 0.510 nan 8.270 nan 0.000 0.424 363 Q N -0.108 119.710 119.800 0.029 0.000 2.133 363 Q HA -0.234 4.106 4.340 -0.000 0.000 0.208 363 Q C 1.773 177.779 176.000 0.011 0.000 0.991 363 Q CA 1.778 57.593 55.803 0.021 0.000 0.867 363 Q CB -0.009 28.738 28.738 0.015 0.000 0.911 363 Q HN 0.527 nan 8.270 nan 0.000 0.417 364 Q N -1.342 118.459 119.800 0.002 0.000 2.444 364 Q HA 0.064 4.404 4.340 -0.000 0.000 0.206 364 Q C 0.846 176.843 176.000 -0.005 0.000 0.948 364 Q CA 0.419 56.217 55.803 -0.009 0.000 0.946 364 Q CB 0.620 29.348 28.738 -0.017 0.000 1.027 364 Q HN 0.569 nan 8.270 nan 0.000 0.513 365 G N 1.746 110.551 108.800 0.009 0.000 2.179 365 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.260 365 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.260 365 G C 0.135 175.044 174.900 0.015 0.000 0.977 365 G CA -0.007 45.102 45.100 0.015 0.000 0.641 365 G HN 0.286 nan 8.290 nan 0.000 0.533 366 K N 1.018 121.424 120.400 0.011 0.000 2.737 366 K HA 0.449 4.769 4.320 -0.000 0.000 0.251 366 K C 1.887 178.501 176.600 0.024 0.000 1.280 366 K CA -0.441 55.854 56.287 0.014 0.000 1.219 366 K CB -0.078 32.426 32.500 0.008 0.000 1.587 366 K HN 0.382 nan 8.250 nan 0.000 0.279 367 L N 0.219 121.462 121.223 0.033 0.000 2.042 367 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 367 L C 2.502 179.400 176.870 0.046 0.000 1.076 367 L CA 1.191 56.060 54.840 0.049 0.000 0.749 367 L CB -0.405 41.683 42.059 0.050 0.000 0.893 367 L HN 0.420 nan 8.230 nan 0.000 0.432 368 Q N 0.483 120.304 119.800 0.033 0.000 2.096 368 Q HA -0.246 4.094 4.340 -0.000 0.000 0.204 368 Q C 2.104 178.121 176.000 0.027 0.000 0.982 368 Q CA 1.832 57.651 55.803 0.026 0.000 0.850 368 Q CB -0.058 28.691 28.738 0.019 0.000 0.901 368 Q HN 0.425 nan 8.270 nan 0.000 0.422 369 E N -1.404 118.818 120.200 0.036 0.000 2.112 369 E HA -0.093 4.257 4.350 -0.000 0.000 0.190 369 E C 1.766 178.423 176.600 0.095 0.000 0.979 369 E CA 0.648 57.086 56.400 0.063 0.000 0.814 369 E CB -0.109 29.635 29.700 0.072 0.000 0.762 369 E HN 0.436 nan 8.360 nan 0.000 0.460 370 A N 1.227 124.068 122.820 0.035 0.000 1.908 370 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 370 A C 2.120 179.683 177.584 -0.035 0.000 1.181 370 A CA 1.206 53.208 52.037 -0.058 0.000 0.627 370 A CB -0.679 18.297 19.000 -0.040 0.000 0.818 370 A HN 0.336 nan 8.150 nan 0.000 0.445 371 L N -0.553 120.722 121.223 0.087 0.000 2.042 371 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 371 L C 2.498 179.396 176.870 0.047 0.000 1.076 371 L CA 2.592 57.512 54.840 0.133 0.000 0.749 371 L CB -0.460 41.644 42.059 0.075 0.000 0.893 371 L HN 0.575 nan 8.230 nan 0.000 0.432 372 M N -1.876 117.710 119.600 -0.023 0.000 2.117 372 M HA -0.235 4.245 4.480 -0.000 0.000 0.262 372 M C 2.158 178.329 176.300 -0.216 0.000 1.065 372 M CA 1.784 57.006 55.300 -0.130 0.000 1.114 372 M CB -0.427 32.062 32.600 -0.185 0.000 1.361 372 M HN 0.408 nan 8.290 nan 0.000 0.408 373 H N -1.167 117.832 119.070 -0.118 0.000 2.436 373 H HA -0.092 4.464 4.556 -0.000 0.000 0.294 373 H C 1.800 177.025 175.328 -0.173 0.000 1.048 373 H CA 1.442 57.409 56.048 -0.135 0.000 1.353 373 H CB -0.217 29.469 29.762 -0.125 0.000 1.414 373 H HN 0.452 nan 8.280 nan 0.000 0.536 374 Y N 1.719 122.006 120.300 -0.021 0.000 2.181 374 Y HA -0.156 4.394 4.550 -0.000 0.000 0.288 374 Y C 2.527 178.312 175.900 -0.193 0.000 1.146 374 Y CA 0.883 58.907 58.100 -0.128 0.000 1.164 374 Y CB -0.151 38.230 38.460 -0.132 0.000 0.982 374 Y HN 0.034 nan 8.280 nan 0.000 0.515 375 K N -0.188 120.201 120.400 -0.018 0.000 2.097 375 K HA -0.170 4.150 4.320 -0.000 0.000 0.206 375 K C 1.871 178.375 176.600 -0.160 0.000 1.049 375 K CA 1.274 57.496 56.287 -0.107 0.000 0.933 375 K CB -0.068 32.375 32.500 -0.095 0.000 0.717 375 K HN 0.295 nan 8.250 nan 0.000 0.442 376 E N 0.714 120.773 120.200 -0.234 0.000 2.047 376 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 376 E C 2.063 178.510 176.600 -0.255 0.000 0.987 376 E CA 1.072 57.247 56.400 -0.374 0.000 0.799 376 E CB -0.239 28.958 29.700 -0.838 0.000 0.752 376 E HN 0.266 nan 8.360 nan 0.000 0.449 377 A N 1.750 124.491 122.820 -0.131 0.000 1.883 377 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 377 A C 2.198 179.843 177.584 0.103 0.000 1.186 377 A CA 1.378 53.474 52.037 0.099 0.000 0.624 377 A CB -0.548 18.538 19.000 0.143 0.000 0.822 377 A HN 0.154 nan 8.150 nan 0.000 0.444 378 I N -0.396 120.124 120.570 -0.083 0.000 2.226 378 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 378 I C 2.540 178.615 176.117 -0.069 0.000 1.100 378 I CA 1.833 63.022 61.300 -0.185 0.000 1.374 378 I CB -1.264 36.454 38.000 -0.470 0.000 1.057 378 I HN 0.472 nan 8.210 nan 0.000 0.413 379 R N 1.144 121.601 120.500 -0.072 0.000 2.075 379 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 379 R C 2.346 178.644 176.300 -0.004 0.000 1.126 379 R CA 1.276 57.350 56.100 -0.042 0.000 0.963 379 R CB -0.062 30.195 30.300 -0.072 0.000 0.858 379 R HN 0.278 nan 8.270 nan 0.000 0.435 380 I N -0.276 120.300 120.570 0.010 0.000 2.193 380 I HA -0.111 4.059 4.170 -0.000 0.000 0.240 380 I C 0.606 176.764 176.117 0.068 0.000 1.084 380 I CA 0.902 62.229 61.300 0.044 0.000 1.365 380 I CB 0.006 38.054 38.000 0.080 0.000 1.064 380 I HN -0.044 nan 8.210 nan 0.000 0.410 381 S N 1.211 116.973 115.700 0.104 0.000 2.577 381 S HA 0.293 4.763 4.470 -0.000 0.000 0.294 381 S C -1.868 172.818 174.600 0.144 0.000 1.161 381 S CA -1.014 57.239 58.200 0.090 0.000 1.143 381 S CB 1.328 64.529 63.200 0.001 0.000 0.991 381 S HN -0.053 nan 8.310 nan 0.000 0.475 382 P HA -0.054 nan 4.420 nan 0.000 0.223 382 P C 1.360 178.804 177.300 0.241 0.000 1.151 382 P CA 0.887 64.086 63.100 0.165 0.000 0.787 382 P CB -0.128 31.642 31.700 0.116 0.000 0.788 383 T N -5.168 109.486 114.554 0.166 0.000 3.169 383 T HA 0.065 4.415 4.350 -0.000 0.000 0.250 383 T C 0.537 175.355 174.700 0.197 0.000 1.111 383 T CA -0.355 61.830 62.100 0.142 0.000 1.010 383 T CB -1.352 67.551 68.868 0.059 0.000 0.984 383 T HN 0.051 nan 8.240 nan 0.000 0.537 384 F N 2.286 122.285 119.950 0.082 0.000 2.677 384 F HA 0.419 4.946 4.527 -0.000 0.000 0.358 384 F C 1.759 177.591 175.800 0.054 0.000 1.266 384 F CA -1.140 56.877 58.000 0.027 0.000 1.262 384 F CB -0.142 38.856 39.000 -0.003 0.000 1.684 384 F HN 0.313 nan 8.300 nan 0.000 0.671 385 A N 2.168 125.087 122.820 0.166 0.000 1.908 385 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 385 A C 1.948 179.334 177.584 -0.331 0.000 1.181 385 A CA 2.245 54.180 52.037 -0.170 0.000 0.627 385 A CB -0.616 18.020 19.000 -0.605 0.000 0.818 385 A HN 0.721 nan 8.150 nan 0.000 0.445 386 D N -0.592 119.621 120.400 -0.311 0.000 2.144 386 D HA -0.026 4.614 4.640 -0.000 0.000 0.199 386 D C 1.998 178.158 176.300 -0.233 0.000 0.984 386 D CA 1.506 55.445 54.000 -0.101 0.000 0.834 386 D CB -0.141 40.780 40.800 0.202 0.000 0.955 386 D HN 0.375 nan 8.370 nan 0.000 0.465 387 A N -0.868 121.538 122.820 -0.689 0.000 1.929 387 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 387 A C 1.938 179.235 177.584 -0.478 0.000 1.176 387 A CA 0.967 52.528 52.037 -0.793 0.000 0.628 387 A CB -1.106 17.115 19.000 -1.297 0.000 0.816 387 A HN 0.373 nan 8.150 nan 0.000 0.444 388 Y N 0.232 120.353 120.300 -0.298 0.000 2.128 388 Y HA -0.224 4.326 4.550 -0.000 0.000 0.284 388 Y C 3.211 179.021 175.900 -0.150 0.000 1.154 388 Y CA 1.840 59.825 58.100 -0.191 0.000 1.149 388 Y CB -0.482 37.915 38.460 -0.106 0.000 0.976 388 Y HN 0.387 nan 8.280 nan 0.000 0.505 389 S N -0.044 115.734 115.700 0.129 0.000 2.368 389 S HA -0.189 4.281 4.470 -0.000 0.000 0.225 389 S C 1.950 176.623 174.600 0.121 0.000 1.030 389 S CA 1.621 59.976 58.200 0.258 0.000 0.999 389 S CB -0.337 63.107 63.200 0.407 0.000 0.844 389 S HN 0.465 nan 8.310 nan 0.000 0.459 390 N N 0.863 119.481 118.700 -0.137 0.000 2.270 390 N HA -0.008 4.732 4.740 -0.000 0.000 0.181 390 N C 1.705 176.827 175.510 -0.647 0.000 1.016 390 N CA 1.096 53.958 53.050 -0.313 0.000 0.870 390 N CB -0.431 37.850 38.487 -0.343 0.000 0.979 390 N HN 0.546 nan 8.380 nan 0.000 0.431 391 M N 0.521 119.598 119.600 -0.872 0.000 2.159 391 M HA -0.054 4.426 4.480 -0.000 0.000 0.263 391 M C 1.871 178.009 176.300 -0.271 0.000 1.063 391 M CA 1.537 56.456 55.300 -0.635 0.000 1.110 391 M CB -0.246 32.090 32.600 -0.439 0.000 1.374 391 M HN 0.076 nan 8.290 nan 0.000 0.411 392 G N 0.449 109.115 108.800 -0.224 0.000 2.442 392 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.219 392 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.219 392 G C 1.211 176.042 174.900 -0.115 0.000 1.141 392 G CA 1.092 45.974 45.100 -0.363 0.000 0.763 392 G HN 0.454 nan 8.290 nan 0.000 0.554 393 N N 0.345 119.106 118.700 0.101 0.000 2.188 393 N HA -0.068 4.672 4.740 -0.000 0.000 0.184 393 N C 2.364 177.920 175.510 0.077 0.000 1.018 393 N CA 1.495 54.637 53.050 0.153 0.000 0.858 393 N CB -0.590 37.983 38.487 0.144 0.000 0.989 393 N HN 0.238 nan 8.380 nan 0.000 0.426 394 T N 1.898 116.472 114.554 0.034 0.000 2.737 394 T HA 0.033 4.383 4.350 -0.000 0.000 0.265 394 T C 2.135 176.857 174.700 0.037 0.000 1.038 394 T CA 0.591 62.733 62.100 0.070 0.000 1.144 394 T CB -0.262 68.690 68.868 0.140 0.000 0.866 394 T HN 0.127 nan 8.240 nan 0.000 0.434 395 L N 0.879 122.096 121.223 -0.011 0.000 2.079 395 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 395 L C 2.701 179.564 176.870 -0.012 0.000 1.081 395 L CA 1.415 56.239 54.840 -0.027 0.000 0.752 395 L CB -0.546 41.465 42.059 -0.080 0.000 0.896 395 L HN 0.254 nan 8.230 nan 0.000 0.433 396 K N 0.605 121.004 120.400 -0.001 0.000 2.002 396 K HA -0.245 4.075 4.320 -0.000 0.000 0.209 396 K C 2.045 178.675 176.600 0.051 0.000 1.048 396 K CA 1.689 57.998 56.287 0.036 0.000 0.930 396 K CB -0.069 32.487 32.500 0.094 0.000 0.714 396 K HN 0.239 nan 8.250 nan 0.000 0.438 397 E N 0.014 120.251 120.200 0.061 0.000 2.204 397 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 397 E C 1.662 178.292 176.600 0.050 0.000 0.990 397 E CA 1.071 57.509 56.400 0.063 0.000 0.821 397 E CB 0.048 29.790 29.700 0.071 0.000 0.750 397 E HN 0.387 nan 8.360 nan 0.000 0.477 398 M N 0.041 119.665 119.600 0.040 0.000 2.618 398 M HA -0.043 4.437 4.480 -0.000 0.000 0.240 398 M C -0.129 176.187 176.300 0.027 0.000 1.123 398 M CA 0.472 55.792 55.300 0.032 0.000 1.060 398 M CB 0.635 33.250 32.600 0.026 0.000 1.535 398 M HN -0.045 nan 8.290 nan 0.000 0.507 399 Q N -1.078 118.740 119.800 0.030 0.000 2.429 399 Q HA -0.199 4.141 4.340 -0.000 0.000 0.232 399 Q C -0.341 175.668 176.000 0.016 0.000 0.724 399 Q CA 1.010 56.830 55.803 0.028 0.000 1.287 399 Q CB -2.203 26.554 28.738 0.032 0.000 1.429 399 Q HN 0.498 nan 8.270 nan 0.000 0.721 400 D N 0.952 121.355 120.400 0.004 0.000 2.638 400 D HA 0.284 4.924 4.640 -0.000 0.000 0.245 400 D C 1.039 177.322 176.300 -0.029 0.000 1.176 400 D CA 0.287 54.281 54.000 -0.011 0.000 0.996 400 D CB 0.440 41.229 40.800 -0.018 0.000 1.012 400 D HN 0.056 nan 8.370 nan 0.000 0.515 401 V N 3.065 122.969 119.914 -0.017 0.000 2.343 401 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 401 V C 2.139 178.200 176.094 -0.055 0.000 1.051 401 V CA 2.531 64.815 62.300 -0.027 0.000 1.036 401 V CB -0.286 31.535 31.823 -0.004 0.000 0.654 401 V HN 0.496 nan 8.190 nan 0.000 0.451 402 Q N 1.382 121.158 119.800 -0.041 0.000 2.152 402 Q HA -0.080 4.260 4.340 -0.000 0.000 0.206 402 Q C 2.038 177.996 176.000 -0.071 0.000 0.985 402 Q CA 2.844 58.619 55.803 -0.046 0.000 0.863 402 Q CB -1.330 27.392 28.738 -0.027 0.000 0.904 402 Q HN 0.619 nan 8.270 nan 0.000 0.422 403 G N -0.602 108.151 108.800 -0.077 0.000 2.464 403 G HA2 0.010 3.970 3.960 -0.000 0.000 0.217 403 G HA3 0.010 3.970 3.960 -0.000 0.000 0.217 403 G C 1.439 176.234 174.900 -0.174 0.000 1.138 403 G CA 0.584 45.627 45.100 -0.096 0.000 0.793 403 G HN 0.550 nan 8.290 nan 0.000 0.539 404 A N 0.516 123.197 122.820 -0.231 0.000 1.897 404 A HA 0.171 4.491 4.320 -0.000 0.000 0.215 404 A C 2.262 179.449 177.584 -0.662 0.000 1.181 404 A CA 1.068 52.813 52.037 -0.487 0.000 0.620 404 A CB -0.416 18.351 19.000 -0.389 0.000 0.821 404 A HN 0.281 nan 8.150 nan 0.000 0.443 405 L N -0.001 121.037 121.223 -0.309 0.000 2.081 405 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 405 L C 2.523 179.310 176.870 -0.137 0.000 1.080 405 L CA 2.156 56.905 54.840 -0.151 0.000 0.754 405 L CB -0.888 41.126 42.059 -0.075 0.000 0.893 405 L HN 0.531 nan 8.230 nan 0.000 0.433 406 Q N -2.129 117.583 119.800 -0.147 0.000 2.119 406 Q HA -0.210 4.130 4.340 -0.000 0.000 0.201 406 Q C 2.424 178.362 176.000 -0.104 0.000 0.972 406 Q CA 1.877 57.622 55.803 -0.096 0.000 0.847 406 Q CB -0.050 28.646 28.738 -0.071 0.000 0.903 406 Q HN 0.585 nan 8.270 nan 0.000 0.433 407 C N -0.372 118.821 119.300 -0.178 0.000 2.453 407 C HA -0.128 4.332 4.460 -0.000 0.000 0.277 407 C C 2.379 177.348 174.990 -0.034 0.000 1.262 407 C CA 0.288 59.242 59.018 -0.105 0.000 1.718 407 C CB -1.021 26.597 27.740 -0.203 0.000 2.031 407 C HN 0.546 nan 8.230 nan 0.000 0.480 408 Y N 2.025 122.311 120.300 -0.023 0.000 2.097 408 Y HA -0.196 4.354 4.550 -0.000 0.000 0.282 408 Y C 2.980 178.830 175.900 -0.083 0.000 1.152 408 Y CA 1.863 59.941 58.100 -0.038 0.000 1.136 408 Y CB -1.887 36.545 38.460 -0.047 0.000 0.975 408 Y HN 0.469 nan 8.280 nan 0.000 0.498 409 T N -1.453 113.144 114.554 0.072 0.000 2.881 409 T HA -0.194 4.156 4.350 -0.000 0.000 0.270 409 T C 2.001 176.657 174.700 -0.073 0.000 1.068 409 T CA 1.477 63.573 62.100 -0.006 0.000 1.131 409 T CB -0.272 68.594 68.868 -0.003 0.000 0.871 409 T HN 0.276 nan 8.240 nan 0.000 0.479 410 R N 0.709 121.131 120.500 -0.131 0.000 2.093 410 R HA 0.285 4.625 4.340 -0.000 0.000 0.224 410 R C 2.791 178.853 176.300 -0.397 0.000 1.101 410 R CA 0.965 56.896 56.100 -0.282 0.000 0.979 410 R CB -0.596 29.475 30.300 -0.383 0.000 0.877 410 R HN 0.485 nan 8.270 nan 0.000 0.441 411 A N 0.886 123.525 122.820 -0.301 0.000 1.902 411 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 411 A C 2.063 179.597 177.584 -0.084 0.000 1.181 411 A CA 1.222 53.141 52.037 -0.198 0.000 0.623 411 A CB -0.455 18.568 19.000 0.037 0.000 0.818 411 A HN 0.310 nan 8.150 nan 0.000 0.443 412 I N -0.961 119.575 120.570 -0.057 0.000 2.315 412 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 412 I C 2.789 178.899 176.117 -0.011 0.000 1.117 412 I CA 1.388 62.660 61.300 -0.046 0.000 1.404 412 I CB -0.358 37.537 38.000 -0.175 0.000 1.071 412 I HN 0.452 nan 8.210 nan 0.000 0.419 413 Q N 0.581 120.348 119.800 -0.055 0.000 2.119 413 Q HA -0.158 4.182 4.340 -0.000 0.000 0.201 413 Q C 2.348 178.322 176.000 -0.043 0.000 0.972 413 Q CA 1.396 57.173 55.803 -0.042 0.000 0.847 413 Q CB 0.109 28.806 28.738 -0.069 0.000 0.903 413 Q HN 0.547 nan 8.270 nan 0.000 0.433 414 I N 0.169 120.686 120.570 -0.088 0.000 2.286 414 I HA -0.140 4.030 4.170 -0.000 0.000 0.245 414 I C 0.924 177.031 176.117 -0.018 0.000 1.104 414 I CA 0.535 61.794 61.300 -0.069 0.000 1.397 414 I CB 0.167 38.092 38.000 -0.125 0.000 1.072 414 I HN 0.067 nan 8.210 nan 0.000 0.417 415 N N 0.495 119.196 118.700 0.001 0.000 2.716 415 N HA 0.202 4.942 4.740 -0.000 0.000 0.253 415 N C -2.144 173.459 175.510 0.154 0.000 1.170 415 N CA -1.910 51.181 53.050 0.068 0.000 0.807 415 N CB 1.204 39.716 38.487 0.042 0.000 1.183 415 N HN -0.174 nan 8.380 nan 0.000 0.524 416 P HA -0.025 nan 4.420 nan 0.000 0.223 416 P C 0.472 177.920 177.300 0.246 0.000 1.144 416 P CA 0.828 64.039 63.100 0.186 0.000 0.783 416 P CB 0.370 32.142 31.700 0.120 0.000 0.771 417 A N -2.113 120.835 122.820 0.214 0.000 2.379 417 A HA 0.152 4.472 4.320 -0.000 0.000 0.236 417 A C 0.293 178.038 177.584 0.267 0.000 1.272 417 A CA -0.339 51.815 52.037 0.194 0.000 0.886 417 A CB -1.063 18.018 19.000 0.135 0.000 0.962 417 A HN 0.086 nan 8.150 nan 0.000 0.504 418 F N 0.959 121.008 119.950 0.165 0.000 2.413 418 F HA 0.519 5.046 4.527 -0.000 0.000 0.359 418 F C 1.186 177.133 175.800 0.244 0.000 1.122 418 F CA -0.817 57.273 58.000 0.151 0.000 1.160 418 F CB 0.794 39.858 39.000 0.107 0.000 1.146 418 F HN 0.134 nan 8.300 nan 0.000 0.514 419 A N 4.081 126.763 122.820 -0.230 0.000 1.873 419 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 419 A C 1.907 179.453 177.584 -0.064 0.000 1.186 419 A CA 1.920 53.936 52.037 -0.035 0.000 0.616 419 A CB -0.855 18.151 19.000 0.009 0.000 0.823 419 A HN 0.774 nan 8.150 nan 0.000 0.442 420 D N 0.208 120.294 120.400 -0.524 0.000 2.149 420 D HA -0.138 4.502 4.640 -0.000 0.000 0.194 420 D C 2.089 178.333 176.300 -0.094 0.000 1.001 420 D CA 1.827 55.701 54.000 -0.211 0.000 0.849 420 D CB -0.156 40.420 40.800 -0.373 0.000 0.939 420 D HN 0.483 nan 8.370 nan 0.000 0.449 421 A N 0.046 122.807 122.820 -0.098 0.000 1.969 421 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 421 A C 1.785 179.257 177.584 -0.188 0.000 1.169 421 A CA 1.226 53.259 52.037 -0.007 0.000 0.635 421 A CB -0.570 18.555 19.000 0.208 0.000 0.810 421 A HN 0.362 nan 8.150 nan 0.000 0.445 422 H N -1.010 118.039 119.070 -0.035 0.000 2.363 422 H HA -0.056 4.500 4.556 -0.000 0.000 0.301 422 H C 2.646 177.877 175.328 -0.161 0.000 1.074 422 H CA 1.479 57.490 56.048 -0.062 0.000 1.354 422 H CB -0.298 29.459 29.762 -0.009 0.000 1.397 422 H HN 0.574 nan 8.280 nan 0.000 0.516 423 S N 0.724 116.427 115.700 0.006 0.000 2.356 423 S HA -0.145 4.325 4.470 -0.000 0.000 0.223 423 S C 1.932 176.401 174.600 -0.218 0.000 1.032 423 S CA 1.222 59.368 58.200 -0.089 0.000 1.005 423 S CB 0.003 63.166 63.200 -0.063 0.000 0.867 423 S HN 0.389 nan 8.310 nan 0.000 0.449 424 N N 1.432 119.954 118.700 -0.297 0.000 2.120 424 N HA -0.079 4.661 4.740 -0.000 0.000 0.188 424 N C 1.687 176.785 175.510 -0.687 0.000 1.024 424 N CA 1.235 53.941 53.050 -0.574 0.000 0.852 424 N CB -0.839 37.034 38.487 -1.024 0.000 1.003 424 N HN 0.407 nan 8.380 nan 0.000 0.424 425 L N 1.057 121.924 121.223 -0.594 0.000 2.131 425 L HA -0.031 4.309 4.340 -0.000 0.000 0.210 425 L C 2.009 178.785 176.870 -0.157 0.000 1.092 425 L CA 1.395 56.084 54.840 -0.251 0.000 0.759 425 L CB -0.687 41.321 42.059 -0.086 0.000 0.903 425 L HN 0.119 nan 8.230 nan 0.000 0.435 426 A N -1.607 121.025 122.820 -0.313 0.000 1.930 426 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 426 A C 2.372 179.787 177.584 -0.281 0.000 1.175 426 A CA 1.661 53.414 52.037 -0.473 0.000 0.627 426 A CB -0.821 17.308 19.000 -1.451 0.000 0.815 426 A HN 0.499 nan 8.150 nan 0.000 0.443 427 S N 0.028 115.613 115.700 -0.192 0.000 2.382 427 S HA -0.108 4.362 4.470 -0.000 0.000 0.228 427 S C 1.801 176.422 174.600 0.035 0.000 1.027 427 S CA 1.225 59.441 58.200 0.026 0.000 0.991 427 S CB -0.335 62.901 63.200 0.060 0.000 0.823 427 S HN 0.466 nan 8.310 nan 0.000 0.469 428 I N 1.586 122.149 120.570 -0.011 0.000 2.142 428 I HA -0.174 3.996 4.170 -0.000 0.000 0.240 428 I C 2.308 178.393 176.117 -0.052 0.000 1.078 428 I CA 1.632 62.921 61.300 -0.019 0.000 1.343 428 I CB -1.473 36.499 38.000 -0.047 0.000 1.046 428 I HN 0.369 nan 8.210 nan 0.000 0.405 429 H N 0.724 119.796 119.070 0.003 0.000 2.353 429 H HA -0.174 4.382 4.556 -0.000 0.000 0.300 429 H C 2.248 177.589 175.328 0.022 0.000 1.090 429 H CA 1.590 57.639 56.048 0.002 0.000 1.327 429 H CB -0.115 29.627 29.762 -0.034 0.000 1.383 429 H HN 0.298 nan 8.280 nan 0.000 0.508 430 K N 0.543 121.034 120.400 0.152 0.000 2.032 430 K HA -0.160 4.160 4.320 -0.000 0.000 0.209 430 K C 1.537 178.207 176.600 0.117 0.000 1.048 430 K CA 1.933 58.304 56.287 0.140 0.000 0.927 430 K CB 0.147 32.758 32.500 0.185 0.000 0.712 430 K HN 0.170 nan 8.250 nan 0.000 0.441 431 D N -0.058 120.404 120.400 0.104 0.000 2.144 431 D HA -0.080 4.560 4.640 -0.000 0.000 0.200 431 D C 1.735 178.086 176.300 0.085 0.000 0.978 431 D CA 1.011 55.067 54.000 0.092 0.000 0.833 431 D CB -0.170 40.680 40.800 0.083 0.000 0.961 431 D HN 0.107 nan 8.370 nan 0.000 0.470 432 S N -0.709 115.039 115.700 0.081 0.000 2.555 432 S HA 0.163 4.633 4.470 -0.000 0.000 0.230 432 S C 1.715 176.368 174.600 0.089 0.000 0.978 432 S CA 0.733 58.980 58.200 0.079 0.000 0.934 432 S CB 0.191 63.436 63.200 0.074 0.000 0.766 432 S HN 0.495 nan 8.310 nan 0.000 0.533 433 G N 1.921 110.777 108.800 0.094 0.000 2.176 433 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.253 433 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.253 433 G C -0.187 174.762 174.900 0.080 0.000 0.979 433 G CA -0.122 45.030 45.100 0.086 0.000 0.641 433 G HN 0.609 nan 8.290 nan 0.000 0.530 434 N N 1.375 120.137 118.700 0.102 0.000 2.739 434 N HA 0.394 5.134 4.740 -0.000 0.000 0.266 434 N C 1.508 177.045 175.510 0.044 0.000 1.168 434 N CA -0.719 52.378 53.050 0.078 0.000 1.055 434 N CB 0.512 39.081 38.487 0.138 0.000 1.393 434 N HN 0.142 nan 8.380 nan 0.000 0.514 435 I N 1.809 122.396 120.570 0.028 0.000 2.286 435 I HA -0.046 4.124 4.170 -0.000 0.000 0.245 435 I C -0.600 175.513 176.117 -0.007 0.000 1.104 435 I CA 0.304 61.617 61.300 0.021 0.000 1.397 435 I CB -2.069 35.937 38.000 0.011 0.000 1.072 435 I HN 0.253 nan 8.210 nan 0.000 0.417 436 P HA -0.146 nan 4.420 nan 0.000 0.215 436 P C 1.469 178.714 177.300 -0.092 0.000 1.157 436 P CA 1.432 64.501 63.100 -0.052 0.000 0.868 436 P CB 0.059 31.725 31.700 -0.056 0.000 0.788 437 E N -0.385 119.716 120.200 -0.165 0.000 2.118 437 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 437 E C 2.121 178.560 176.600 -0.268 0.000 0.992 437 E CA 1.595 57.792 56.400 -0.338 0.000 0.804 437 E CB -1.246 28.000 29.700 -0.756 0.000 0.741 437 E HN 0.160 nan 8.360 nan 0.000 0.458 438 A N 0.492 123.234 122.820 -0.130 0.000 1.898 438 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 438 A C 2.256 179.811 177.584 -0.049 0.000 1.181 438 A CA 1.135 53.117 52.037 -0.093 0.000 0.620 438 A CB -0.602 18.428 19.000 0.050 0.000 0.819 438 A HN 0.203 nan 8.150 nan 0.000 0.442 439 I N -0.234 120.366 120.570 0.049 0.000 2.226 439 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 439 I C 2.968 179.110 176.117 0.041 0.000 1.100 439 I CA 1.012 62.372 61.300 0.099 0.000 1.374 439 I CB -0.325 37.699 38.000 0.039 0.000 1.057 439 I HN 0.369 nan 8.210 nan 0.000 0.413 440 A N -0.072 122.732 122.820 -0.027 0.000 1.902 440 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 440 A C 2.483 180.045 177.584 -0.036 0.000 1.181 440 A CA 2.245 54.260 52.037 -0.037 0.000 0.623 440 A CB -0.701 18.261 19.000 -0.063 0.000 0.818 440 A HN 0.370 nan 8.150 nan 0.000 0.443 441 S N -1.572 114.083 115.700 -0.074 0.000 2.387 441 S HA -0.069 4.401 4.470 -0.000 0.000 0.226 441 S C 1.819 176.374 174.600 -0.075 0.000 1.026 441 S CA 1.096 59.253 58.200 -0.070 0.000 0.972 441 S CB -0.480 62.661 63.200 -0.098 0.000 0.814 441 S HN 0.624 nan 8.310 nan 0.000 0.477 442 Y N 2.056 122.339 120.300 -0.028 0.000 2.181 442 Y HA -0.006 4.544 4.550 -0.000 0.000 0.288 442 Y C 2.456 178.320 175.900 -0.060 0.000 1.146 442 Y CA 0.730 58.788 58.100 -0.069 0.000 1.164 442 Y CB -0.407 37.998 38.460 -0.092 0.000 0.982 442 Y HN 0.145 nan 8.280 nan 0.000 0.515 443 R N -0.990 119.573 120.500 0.106 0.000 2.081 443 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 443 R C 2.168 178.476 176.300 0.013 0.000 1.131 443 R CA 1.849 57.978 56.100 0.048 0.000 0.960 443 R CB -0.776 29.538 30.300 0.023 0.000 0.856 443 R HN 0.239 nan 8.270 nan 0.000 0.436 444 T N 0.906 115.441 114.554 -0.032 0.000 2.746 444 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 444 T C 1.898 176.532 174.700 -0.109 0.000 1.039 444 T CA 1.494 63.520 62.100 -0.124 0.000 1.142 444 T CB -0.203 68.506 68.868 -0.265 0.000 0.866 444 T HN 0.389 nan 8.240 nan 0.000 0.444 445 A N 0.760 123.572 122.820 -0.012 0.000 1.969 445 A HA 0.090 4.410 4.320 -0.000 0.000 0.218 445 A C 2.219 179.909 177.584 0.175 0.000 1.169 445 A CA 1.038 53.141 52.037 0.110 0.000 0.635 445 A CB -0.628 18.471 19.000 0.166 0.000 0.810 445 A HN 0.486 nan 8.150 nan 0.000 0.445 446 L N -1.252 120.046 121.223 0.126 0.000 2.270 446 L HA -0.026 4.314 4.340 -0.000 0.000 0.210 446 L C 2.468 179.398 176.870 0.100 0.000 1.104 446 L CA 1.190 56.118 54.840 0.146 0.000 0.804 446 L CB -0.213 41.922 42.059 0.125 0.000 0.937 446 L HN 0.412 nan 8.230 nan 0.000 0.450 447 K N 0.649 121.082 120.400 0.054 0.000 2.155 447 K HA -0.102 4.218 4.320 -0.000 0.000 0.203 447 K C 1.943 178.561 176.600 0.029 0.000 1.052 447 K CA 1.001 57.306 56.287 0.030 0.000 0.948 447 K CB 0.134 32.634 32.500 0.000 0.000 0.728 447 K HN 0.260 nan 8.250 nan 0.000 0.448 448 L N -0.131 121.111 121.223 0.032 0.000 2.418 448 L HA 0.064 4.404 4.340 -0.000 0.000 0.218 448 L C 0.756 177.652 176.870 0.044 0.000 1.125 448 L CA 0.494 55.354 54.840 0.033 0.000 0.835 448 L CB 0.271 42.346 42.059 0.028 0.000 0.953 448 L HN 0.010 nan 8.230 nan 0.000 0.454 449 K N -0.477 119.969 120.400 0.077 0.000 2.956 449 K HA 0.177 4.497 4.320 -0.000 0.000 0.239 449 K C -2.310 174.363 176.600 0.122 0.000 1.253 449 K CA -0.925 55.396 56.287 0.056 0.000 0.963 449 K CB 1.269 33.747 32.500 -0.036 0.000 1.297 449 K HN -0.279 nan 8.250 nan 0.000 0.566 450 P HA -0.175 nan 4.420 nan 0.000 0.216 450 P C -0.100 177.247 177.300 0.078 0.000 1.150 450 P CA 0.998 64.147 63.100 0.080 0.000 0.843 450 P CB 0.170 31.894 31.700 0.039 0.000 0.787 451 D N -0.480 119.952 120.400 0.054 0.000 2.494 451 D HA 0.086 4.726 4.640 -0.000 0.000 0.217 451 D C -1.130 175.240 176.300 0.117 0.000 1.153 451 D CA -0.350 53.675 54.000 0.041 0.000 0.954 451 D CB -0.696 40.102 40.800 -0.005 0.000 1.034 451 D HN -0.123 nan 8.370 nan 0.000 0.518 452 F N 5.232 125.174 119.950 -0.012 0.000 3.050 452 F HA 0.334 4.861 4.527 -0.000 0.000 0.382 452 F C -2.162 173.660 175.800 0.037 0.000 1.246 452 F CA -2.496 55.511 58.000 0.013 0.000 1.217 452 F CB 1.385 40.402 39.000 0.028 0.000 1.795 452 F HN 0.088 nan 8.300 nan 0.000 0.622 453 P HA -0.153 nan 4.420 nan 0.000 0.215 453 P C 1.290 178.656 177.300 0.110 0.000 1.157 453 P CA 1.561 64.755 63.100 0.156 0.000 0.874 453 P CB 0.499 32.266 31.700 0.112 0.000 0.790 454 D N -0.958 119.524 120.400 0.137 0.000 2.116 454 D HA -0.158 4.482 4.640 -0.000 0.000 0.193 454 D C 2.015 178.168 176.300 -0.245 0.000 0.998 454 D CA 1.795 55.795 54.000 -0.001 0.000 0.836 454 D CB -0.839 40.031 40.800 0.117 0.000 0.951 454 D HN 0.040 nan 8.370 nan 0.000 0.449 455 A N -0.721 121.723 122.820 -0.627 0.000 1.929 455 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 455 A C 2.174 179.471 177.584 -0.479 0.000 1.176 455 A CA 1.072 52.711 52.037 -0.663 0.000 0.628 455 A CB -0.961 17.465 19.000 -0.956 0.000 0.816 455 A HN 0.377 nan 8.150 nan 0.000 0.444 456 Y N 0.001 120.099 120.300 -0.336 0.000 2.200 456 Y HA -0.266 4.284 4.550 -0.000 0.000 0.290 456 Y C 2.536 178.294 175.900 -0.237 0.000 1.137 456 Y CA 1.831 59.794 58.100 -0.228 0.000 1.163 456 Y CB -0.478 37.911 38.460 -0.118 0.000 0.988 456 Y HN 0.381 nan 8.280 nan 0.000 0.518 457 C N 0.510 119.775 119.300 -0.057 0.000 2.457 457 C HA -0.124 4.336 4.460 -0.000 0.000 0.278 457 C C 2.456 177.364 174.990 -0.137 0.000 1.309 457 C CA 1.049 60.028 59.018 -0.065 0.000 1.735 457 C CB -1.211 26.564 27.740 0.058 0.000 1.992 457 C HN 0.603 nan 8.230 nan 0.000 0.493 458 N N 1.135 119.671 118.700 -0.275 0.000 2.142 458 N HA -0.082 4.658 4.740 -0.000 0.000 0.186 458 N C 1.545 176.736 175.510 -0.531 0.000 1.023 458 N CA 0.899 53.739 53.050 -0.350 0.000 0.852 458 N CB -0.649 37.546 38.487 -0.488 0.000 0.998 458 N HN 0.395 nan 8.380 nan 0.000 0.424 459 L N 1.199 121.915 121.223 -0.844 0.000 2.042 459 L HA -0.056 4.284 4.340 -0.000 0.000 0.210 459 L C 2.052 178.722 176.870 -0.334 0.000 1.076 459 L CA 1.615 56.111 54.840 -0.572 0.000 0.749 459 L CB -0.907 40.847 42.059 -0.508 0.000 0.893 459 L HN 0.127 nan 8.230 nan 0.000 0.432 460 A N -1.395 121.192 122.820 -0.388 0.000 1.883 460 A HA -0.315 4.005 4.320 -0.000 0.000 0.217 460 A C 2.452 180.006 177.584 -0.050 0.000 1.186 460 A CA 1.928 53.797 52.037 -0.280 0.000 0.624 460 A CB -1.195 17.574 19.000 -0.384 0.000 0.822 460 A HN 0.749 nan 8.150 nan 0.000 0.444 461 H N -1.057 117.952 119.070 -0.102 0.000 2.423 461 H HA -0.132 4.424 4.556 -0.000 0.000 0.297 461 H C 2.109 177.370 175.328 -0.112 0.000 1.075 461 H CA 1.620 57.602 56.048 -0.110 0.000 1.342 461 H CB -0.011 29.569 29.762 -0.304 0.000 1.395 461 H HN 0.525 nan 8.280 nan 0.000 0.530 462 C N 0.741 119.961 119.300 -0.133 0.000 2.432 462 C HA -0.138 4.322 4.460 -0.000 0.000 0.277 462 C C 3.039 177.971 174.990 -0.097 0.000 1.249 462 C CA 0.664 59.613 59.018 -0.114 0.000 1.725 462 C CB -1.050 26.693 27.740 0.005 0.000 2.028 462 C HN 0.509 nan 8.230 nan 0.000 0.477 463 L N 0.275 121.462 121.223 -0.061 0.000 2.046 463 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 463 L C 2.700 179.597 176.870 0.046 0.000 1.077 463 L CA 1.625 56.461 54.840 -0.007 0.000 0.747 463 L CB -0.900 41.165 42.059 0.010 0.000 0.896 463 L HN 0.359 nan 8.230 nan 0.000 0.432 464 Q N 0.774 120.614 119.800 0.068 0.000 2.061 464 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 464 Q C 2.123 178.167 176.000 0.073 0.000 0.984 464 Q CA 1.853 57.750 55.803 0.156 0.000 0.846 464 Q CB -0.224 28.607 28.738 0.156 0.000 0.902 464 Q HN 0.467 nan 8.270 nan 0.000 0.421 465 I N -0.217 120.288 120.570 -0.110 0.000 2.264 465 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 465 I C 1.797 177.914 176.117 0.000 0.000 1.111 465 I CA 1.335 62.584 61.300 -0.086 0.000 1.382 465 I CB -0.246 37.620 38.000 -0.224 0.000 1.060 465 I HN 0.256 nan 8.210 nan 0.000 0.418 466 V N -3.198 116.702 119.914 -0.024 0.000 3.542 466 V HA 0.202 4.322 4.120 -0.000 0.000 0.296 466 V C 0.900 176.943 176.094 -0.084 0.000 1.364 466 V CA -0.782 61.497 62.300 -0.035 0.000 1.118 466 V CB -0.935 30.860 31.823 -0.046 0.000 0.972 466 V HN 0.531 nan 8.190 nan 0.000 0.430 467 C N 1.667 120.921 119.300 -0.076 0.000 4.209 467 C HA -0.151 4.309 4.460 -0.000 0.000 0.305 467 C C 0.427 175.081 174.990 -0.560 0.000 1.339 467 C CA 1.091 59.912 59.018 -0.327 0.000 2.062 467 C CB -2.670 24.836 27.740 -0.390 0.000 1.307 467 C HN 0.933 nan 8.230 nan 0.000 0.706 468 D N -0.016 120.252 120.400 -0.219 0.000 2.428 468 D HA 0.288 4.928 4.640 -0.000 0.000 0.221 468 D C 0.387 176.758 176.300 0.118 0.000 1.123 468 D CA -0.295 53.670 54.000 -0.057 0.000 0.869 468 D CB 0.355 41.162 40.800 0.012 0.000 1.032 468 D HN 0.572 nan 8.370 nan 0.000 0.506 469 W N 2.980 124.337 121.300 0.095 0.000 3.194 469 W HA 0.128 4.788 4.660 -0.000 0.000 0.408 469 W C 0.324 176.886 176.519 0.071 0.000 1.072 469 W CA -0.697 56.620 57.345 -0.048 0.000 1.953 469 W CB -1.061 28.087 29.460 -0.520 0.000 1.091 469 W HN 0.200 nan 8.180 nan 0.000 0.699 470 T N 2.893 117.634 114.554 0.312 0.000 2.792 470 T HA -0.041 4.309 4.350 -0.000 0.000 0.286 470 T C 0.414 175.223 174.700 0.182 0.000 0.970 470 T CA 0.721 62.957 62.100 0.228 0.000 1.187 470 T CB 0.038 69.001 68.868 0.158 0.000 0.915 470 T HN 0.114 nan 8.240 nan 0.000 0.529 471 D N 1.329 121.827 120.400 0.163 0.000 2.772 471 D HA -0.212 4.428 4.640 -0.000 0.000 0.233 471 D C 0.454 176.827 176.300 0.123 0.000 1.143 471 D CA 0.543 54.614 54.000 0.119 0.000 0.700 471 D CB -1.372 39.480 40.800 0.086 0.000 1.076 471 D HN 0.797 nan 8.370 nan 0.000 0.430 472 Y N 1.051 121.372 120.300 0.035 0.000 2.128 472 Y HA -0.255 4.295 4.550 -0.000 0.000 0.284 472 Y C 1.964 177.844 175.900 -0.033 0.000 1.154 472 Y CA 2.355 60.453 58.100 -0.004 0.000 1.149 472 Y CB 0.113 38.532 38.460 -0.069 0.000 0.976 472 Y HN -0.029 nan 8.280 nan 0.000 0.505 473 D N -0.069 120.373 120.400 0.069 0.000 2.117 473 D HA -0.210 4.430 4.640 -0.000 0.000 0.197 473 D C 2.113 178.370 176.300 -0.072 0.000 0.987 473 D CA 1.700 55.689 54.000 -0.018 0.000 0.829 473 D CB -0.389 40.426 40.800 0.026 0.000 0.961 473 D HN 0.637 nan 8.370 nan 0.000 0.460 474 E N 0.563 120.745 120.200 -0.031 0.000 2.072 474 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 474 E C 2.170 178.745 176.600 -0.043 0.000 0.985 474 E CA 0.552 56.936 56.400 -0.026 0.000 0.801 474 E CB 0.145 29.851 29.700 0.009 0.000 0.750 474 E HN 0.053 nan 8.360 nan 0.000 0.452 475 R N -0.327 120.137 120.500 -0.059 0.000 2.080 475 R HA -0.158 4.182 4.340 -0.000 0.000 0.236 475 R C 2.485 178.691 176.300 -0.157 0.000 1.137 475 R CA 2.146 58.212 56.100 -0.057 0.000 0.943 475 R CB -0.114 30.101 30.300 -0.141 0.000 0.846 475 R HN 0.247 nan 8.270 nan 0.000 0.431 476 M N 0.610 120.016 119.600 -0.324 0.000 2.106 476 M HA -0.231 4.249 4.480 -0.000 0.000 0.259 476 M C 2.077 178.279 176.300 -0.164 0.000 1.068 476 M CA 1.748 56.858 55.300 -0.318 0.000 1.100 476 M CB -0.792 31.590 32.600 -0.363 0.000 1.351 476 M HN 0.138 nan 8.290 nan 0.000 0.404 477 K N -0.018 120.310 120.400 -0.119 0.000 2.057 477 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 477 K C 2.109 178.671 176.600 -0.064 0.000 1.050 477 K CA 1.167 57.410 56.287 -0.073 0.000 0.935 477 K CB -0.056 32.409 32.500 -0.059 0.000 0.715 477 K HN 0.206 nan 8.250 nan 0.000 0.439 478 K N 0.877 121.233 120.400 -0.074 0.000 2.211 478 K HA -0.097 4.223 4.320 -0.000 0.000 0.203 478 K C 1.943 178.484 176.600 -0.099 0.000 1.050 478 K CA 0.778 56.995 56.287 -0.118 0.000 0.945 478 K CB 0.082 32.457 32.500 -0.208 0.000 0.732 478 K HN 0.079 nan 8.250 nan 0.000 0.451 479 L N 0.181 121.374 121.223 -0.051 0.000 1.988 479 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 479 L C 2.337 179.201 176.870 -0.010 0.000 1.071 479 L CA 0.949 55.757 54.840 -0.053 0.000 0.744 479 L CB -0.559 41.361 42.059 -0.231 0.000 0.893 479 L HN -0.004 nan 8.230 nan 0.000 0.433 480 V N -0.234 119.686 119.914 0.009 0.000 2.324 480 V HA -0.342 3.778 4.120 -0.000 0.000 0.250 480 V C 2.817 178.974 176.094 0.105 0.000 1.060 480 V CA 2.127 64.487 62.300 0.099 0.000 1.042 480 V CB -0.691 31.174 31.823 0.069 0.000 0.650 480 V HN 0.598 nan 8.190 nan 0.000 0.450 481 S N -0.198 115.520 115.700 0.029 0.000 2.356 481 S HA -0.193 4.277 4.470 -0.000 0.000 0.223 481 S C 1.962 176.557 174.600 -0.009 0.000 1.032 481 S CA 1.928 60.135 58.200 0.011 0.000 1.005 481 S CB -0.419 62.760 63.200 -0.036 0.000 0.867 481 S HN 0.520 nan 8.310 nan 0.000 0.449 482 I N 1.104 121.652 120.570 -0.036 0.000 2.142 482 I HA -0.144 4.026 4.170 -0.000 0.000 0.240 482 I C 2.503 178.593 176.117 -0.046 0.000 1.078 482 I CA 1.325 62.598 61.300 -0.045 0.000 1.343 482 I CB -0.558 37.416 38.000 -0.044 0.000 1.046 482 I HN 0.218 nan 8.210 nan 0.000 0.405 483 V N 1.233 121.125 119.914 -0.038 0.000 2.252 483 V HA -0.382 3.738 4.120 -0.000 0.000 0.249 483 V C 2.744 178.674 176.094 -0.273 0.000 1.056 483 V CA 2.199 64.429 62.300 -0.117 0.000 1.022 483 V CB -1.225 30.559 31.823 -0.066 0.000 0.641 483 V HN 0.550 nan 8.190 nan 0.000 0.445 484 A N 0.067 122.765 122.820 -0.202 0.000 1.948 484 A HA -0.354 3.966 4.320 -0.000 0.000 0.220 484 A C 2.051 179.552 177.584 -0.139 0.000 1.177 484 A CA 2.500 54.414 52.037 -0.204 0.000 0.636 484 A CB -0.759 18.354 19.000 0.189 0.000 0.815 484 A HN 0.673 nan 8.150 nan 0.000 0.449 485 D N -1.086 119.265 120.400 -0.082 0.000 2.123 485 D HA -0.145 4.495 4.640 -0.000 0.000 0.200 485 D C 2.110 178.363 176.300 -0.078 0.000 0.976 485 D CA 1.583 55.547 54.000 -0.060 0.000 0.831 485 D CB -0.226 40.548 40.800 -0.042 0.000 0.974 485 D HN 0.585 nan 8.370 nan 0.000 0.469 486 Q N -0.495 119.248 119.800 -0.095 0.000 2.230 486 Q HA 0.001 4.341 4.340 -0.000 0.000 0.202 486 Q C 2.360 178.294 176.000 -0.110 0.000 0.963 486 Q CA 0.585 56.337 55.803 -0.084 0.000 0.866 486 Q CB 0.086 28.782 28.738 -0.069 0.000 0.931 486 Q HN 0.393 nan 8.270 nan 0.000 0.452 487 L N 0.130 121.247 121.223 -0.176 0.000 2.093 487 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 487 L C 2.204 179.006 176.870 -0.114 0.000 1.085 487 L CA 0.877 55.606 54.840 -0.184 0.000 0.755 487 L CB -0.183 41.676 42.059 -0.333 0.000 0.904 487 L HN 0.176 nan 8.230 nan 0.000 0.435 488 E N 0.816 120.959 120.200 -0.096 0.000 2.028 488 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 488 E C 1.631 178.207 176.600 -0.040 0.000 0.988 488 E CA 1.210 57.580 56.400 -0.050 0.000 0.799 488 E CB 0.096 29.776 29.700 -0.033 0.000 0.755 488 E HN 0.202 nan 8.360 nan 0.000 0.447 489 K N 0.614 120.989 120.400 -0.042 0.000 2.591 489 K HA 0.027 4.347 4.320 -0.000 0.000 0.197 489 K C -0.059 176.522 176.600 -0.032 0.000 1.026 489 K CA 0.168 56.436 56.287 -0.031 0.000 1.127 489 K CB -0.252 32.232 32.500 -0.027 0.000 0.871 489 K HN 0.080 nan 8.250 nan 0.000 0.507 490 N N 1.997 120.673 118.700 -0.041 0.000 2.714 490 N HA -0.209 4.531 4.740 -0.000 0.000 0.252 490 N C -1.261 174.225 175.510 -0.040 0.000 1.014 490 N CA 0.741 53.767 53.050 -0.040 0.000 0.735 490 N CB -0.477 37.993 38.487 -0.028 0.000 0.924 490 N HN 0.271 nan 8.380 nan 0.000 0.540 491 R N -0.355 120.116 120.500 -0.049 0.000 2.873 491 R HA 0.511 4.851 4.340 -0.000 0.000 0.264 491 R C -0.400 175.858 176.300 -0.069 0.000 1.026 491 R CA -1.293 54.779 56.100 -0.047 0.000 1.002 491 R CB 0.902 31.184 30.300 -0.030 0.000 1.174 491 R HN 0.123 nan 8.270 nan 0.000 0.488 492 L N 3.386 124.560 121.223 -0.082 0.000 2.500 492 L HA 0.201 4.541 4.340 -0.000 0.000 0.272 492 L C -2.268 174.551 176.870 -0.084 0.000 1.149 492 L CA -1.280 53.477 54.840 -0.138 0.000 0.897 492 L CB 0.132 42.080 42.059 -0.186 0.000 1.178 492 L HN 0.356 nan 8.230 nan 0.000 0.473 493 P HA 0.079 nan 4.420 nan 0.000 0.266 493 P C 0.180 177.516 177.300 0.061 0.000 1.195 493 P CA 0.172 63.271 63.100 -0.003 0.000 0.768 493 P CB 0.676 32.379 31.700 0.005 0.000 0.838 494 S N 0.453 116.191 115.700 0.063 0.000 2.522 494 S HA 0.012 4.482 4.470 -0.000 0.000 0.227 494 S C 0.788 175.461 174.600 0.122 0.000 0.986 494 S CA 0.244 58.498 58.200 0.090 0.000 0.929 494 S CB -0.059 63.188 63.200 0.078 0.000 0.769 494 S HN 0.268 nan 8.310 nan 0.000 0.529 495 V N 3.536 123.527 119.914 0.129 0.000 2.432 495 V HA 0.140 4.260 4.120 -0.000 0.000 0.271 495 V C 0.456 176.591 176.094 0.070 0.000 1.046 495 V CA -0.703 61.700 62.300 0.171 0.000 0.945 495 V CB 0.422 32.380 31.823 0.224 0.000 0.992 495 V HN 0.446 nan 8.190 nan 0.000 0.471 496 H N 8.099 127.084 119.070 -0.141 0.000 2.815 496 H HA 0.102 4.658 4.556 -0.000 0.000 0.350 496 H C -1.757 173.331 175.328 -0.400 0.000 1.080 496 H CA -1.349 54.418 56.048 -0.469 0.000 1.433 496 H CB 1.966 31.209 29.762 -0.865 0.000 1.432 496 H HN 0.366 nan 8.280 nan 0.000 0.592 497 P HA -0.134 nan 4.420 nan 0.000 0.220 497 P C 1.225 178.629 177.300 0.174 0.000 1.148 497 P CA 1.132 64.073 63.100 -0.265 0.000 0.803 497 P CB 0.100 31.488 31.700 -0.519 0.000 0.782 498 H N -0.979 118.260 119.070 0.281 0.000 2.428 498 H HA -0.037 4.519 4.556 -0.000 0.000 0.296 498 H C 1.674 177.083 175.328 0.134 0.000 1.062 498 H CA 1.487 57.715 56.048 0.301 0.000 1.350 498 H CB -0.558 29.385 29.762 0.301 0.000 1.403 498 H HN 0.346 nan 8.280 nan 0.000 0.533 499 H N -1.083 117.993 119.070 0.009 0.000 2.482 499 H HA -0.003 4.553 4.556 -0.000 0.000 0.286 499 H C 2.290 177.385 175.328 -0.390 0.000 1.017 499 H CA 0.657 56.520 56.048 -0.308 0.000 1.322 499 H CB 0.452 29.994 29.762 -0.366 0.000 1.426 499 H HN 0.349 nan 8.280 nan 0.000 0.546 500 S N 1.586 117.268 115.700 -0.031 0.000 2.465 500 S HA -0.220 4.250 4.470 -0.000 0.000 0.241 500 S C 2.074 176.644 174.600 -0.051 0.000 1.000 500 S CA 1.177 59.364 58.200 -0.022 0.000 0.964 500 S CB -0.529 62.716 63.200 0.075 0.000 0.763 500 S HN 0.550 nan 8.310 nan 0.000 0.512 501 M N -0.204 119.376 119.600 -0.034 0.000 2.476 501 M HA 0.251 4.731 4.480 -0.000 0.000 0.262 501 M C 1.598 177.872 176.300 -0.043 0.000 1.079 501 M CA 1.212 56.515 55.300 0.005 0.000 1.104 501 M CB -0.574 32.068 32.600 0.070 0.000 1.409 501 M HN 0.211 nan 8.290 nan 0.000 0.467 502 L N -0.631 120.471 121.223 -0.201 0.000 2.416 502 L HA 0.190 4.530 4.340 -0.000 0.000 0.216 502 L C 0.123 176.964 176.870 -0.049 0.000 1.098 502 L CA -0.130 54.602 54.840 -0.180 0.000 0.840 502 L CB -0.066 41.816 42.059 -0.296 0.000 0.981 502 L HN 0.190 nan 8.230 nan 0.000 0.462 503 Y N -0.070 120.267 120.300 0.061 0.000 2.419 503 Y HA 0.310 4.860 4.550 -0.000 0.000 0.328 503 Y C -1.775 174.121 175.900 -0.006 0.000 1.162 503 Y CA -3.896 54.213 58.100 0.015 0.000 1.174 503 Y CB -0.504 37.968 38.460 0.020 0.000 1.228 503 Y HN -0.160 nan 8.280 nan 0.000 0.473 504 P HA 0.122 nan 4.420 nan 0.000 0.228 504 P C -0.591 176.711 177.300 0.003 0.000 1.748 504 P CA 0.361 63.476 63.100 0.025 0.000 0.909 504 P CB -0.387 31.306 31.700 -0.012 0.000 1.882 505 L N 0.063 121.312 121.223 0.044 0.000 2.456 505 L HA 0.279 4.619 4.340 -0.000 0.000 0.257 505 L C 1.441 178.242 176.870 -0.116 0.000 1.162 505 L CA -0.672 54.193 54.840 0.041 0.000 0.808 505 L CB 0.387 42.557 42.059 0.185 0.000 1.136 505 L HN 0.097 nan 8.230 nan 0.000 0.466 506 S N -1.290 114.277 115.700 -0.221 0.000 2.614 506 S HA 0.107 4.577 4.470 -0.000 0.000 0.265 506 S C 1.055 175.550 174.600 -0.175 0.000 1.303 506 S CA -0.536 57.476 58.200 -0.313 0.000 1.000 506 S CB 0.594 63.518 63.200 -0.460 0.000 0.935 506 S HN 0.547 nan 8.310 nan 0.000 0.551 507 H N 1.733 120.770 119.070 -0.054 0.000 2.387 507 H HA -0.030 4.526 4.556 -0.000 0.000 0.299 507 H C 2.319 177.652 175.328 0.009 0.000 1.090 507 H CA 1.687 57.712 56.048 -0.038 0.000 1.332 507 H CB -0.991 28.727 29.762 -0.072 0.000 1.386 507 H HN 0.854 nan 8.280 nan 0.000 0.516 508 G N 0.327 109.207 108.800 0.133 0.000 2.422 508 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 508 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 508 G C 1.363 176.440 174.900 0.295 0.000 1.146 508 G CA 0.286 45.485 45.100 0.165 0.000 0.769 508 G HN 0.201 nan 8.290 nan 0.000 0.547 509 F N 1.156 121.115 119.950 0.014 0.000 2.186 509 F HA 0.127 4.654 4.527 -0.000 0.000 0.299 509 F C 2.816 178.629 175.800 0.022 0.000 1.090 509 F CA 0.575 58.583 58.000 0.013 0.000 1.307 509 F CB -0.500 38.504 39.000 0.006 0.000 1.019 509 F HN 0.066 nan 8.300 nan 0.000 0.489 510 R N 0.104 120.737 120.500 0.220 0.000 2.066 510 R HA -0.160 4.180 4.340 -0.000 0.000 0.232 510 R C 2.217 178.579 176.300 0.102 0.000 1.131 510 R CA 1.432 57.612 56.100 0.134 0.000 0.955 510 R CB -0.417 29.951 30.300 0.113 0.000 0.851 510 R HN 0.179 nan 8.270 nan 0.000 0.432 511 K N 0.707 121.169 120.400 0.104 0.000 2.057 511 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 511 K C 2.039 178.676 176.600 0.062 0.000 1.049 511 K CA 1.444 57.779 56.287 0.080 0.000 0.931 511 K CB -0.075 32.465 32.500 0.067 0.000 0.714 511 K HN 0.160 nan 8.250 nan 0.000 0.440 512 A N 1.068 123.926 122.820 0.064 0.000 1.930 512 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 512 A C 2.034 179.616 177.584 -0.003 0.000 1.175 512 A CA 1.305 53.355 52.037 0.021 0.000 0.627 512 A CB -0.525 18.476 19.000 0.002 0.000 0.815 512 A HN 0.341 nan 8.150 nan 0.000 0.443 513 I N -0.243 120.330 120.570 0.004 0.000 2.361 513 I HA -0.288 3.882 4.170 -0.000 0.000 0.251 513 I C 2.903 179.011 176.117 -0.014 0.000 1.133 513 I CA 0.977 62.279 61.300 0.004 0.000 1.413 513 I CB -0.327 37.671 38.000 -0.003 0.000 1.073 513 I HN 0.378 nan 8.210 nan 0.000 0.424 514 A N 0.313 123.111 122.820 -0.037 0.000 1.855 514 A HA -0.226 4.094 4.320 -0.000 0.000 0.215 514 A C 2.372 179.936 177.584 -0.034 0.000 1.191 514 A CA 1.510 53.496 52.037 -0.085 0.000 0.613 514 A CB -0.612 18.459 19.000 0.118 0.000 0.829 514 A HN 0.411 nan 8.150 nan 0.000 0.442 515 E N -0.159 120.046 120.200 0.008 0.000 2.130 515 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 515 E C 2.117 178.711 176.600 -0.010 0.000 0.998 515 E CA 1.023 57.422 56.400 -0.001 0.000 0.806 515 E CB -0.162 29.532 29.700 -0.009 0.000 0.738 515 E HN 0.360 nan 8.360 nan 0.000 0.459 516 R N -0.209 120.272 120.500 -0.031 0.000 2.075 516 R HA -0.084 4.256 4.340 -0.000 0.000 0.232 516 R C 2.237 178.450 176.300 -0.145 0.000 1.126 516 R CA 1.081 57.130 56.100 -0.084 0.000 0.963 516 R CB -0.802 29.431 30.300 -0.113 0.000 0.858 516 R HN 0.492 nan 8.270 nan 0.000 0.435 517 H N -1.162 117.776 119.070 -0.220 0.000 2.470 517 H HA 0.025 4.581 4.556 -0.000 0.000 0.289 517 H C 1.932 177.218 175.328 -0.069 0.000 1.033 517 H CA 1.157 57.036 56.048 -0.282 0.000 1.331 517 H CB 0.143 29.492 29.762 -0.689 0.000 1.414 517 H HN 0.320 nan 8.280 nan 0.000 0.545 518 G N 1.105 109.999 108.800 0.156 0.000 2.422 518 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 518 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 518 G C 1.574 176.654 174.900 0.300 0.000 1.140 518 G CA 0.307 45.626 45.100 0.365 0.000 0.775 518 G HN 0.317 nan 8.290 nan 0.000 0.545 519 N N 0.292 119.073 118.700 0.135 0.000 2.381 519 N HA 0.041 4.781 4.740 -0.000 0.000 0.182 519 N C 2.110 177.659 175.510 0.064 0.000 1.025 519 N CA 0.233 53.340 53.050 0.095 0.000 0.888 519 N CB -0.184 38.320 38.487 0.027 0.000 0.965 519 N HN 0.279 nan 8.380 nan 0.000 0.438 520 L N -0.402 120.844 121.223 0.038 0.000 2.191 520 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 520 L C 1.843 178.741 176.870 0.046 0.000 1.103 520 L CA 0.660 55.509 54.840 0.015 0.000 0.769 520 L CB -0.231 41.817 42.059 -0.018 0.000 0.908 520 L HN 0.259 nan 8.230 nan 0.000 0.438 521 C N -0.567 118.787 119.300 0.090 0.000 2.486 521 C HA -0.076 4.384 4.460 -0.000 0.000 0.279 521 C C 2.642 177.644 174.990 0.019 0.000 1.302 521 C CA 0.047 59.095 59.018 0.050 0.000 1.720 521 C CB -0.651 27.111 27.740 0.036 0.000 2.030 521 C HN 0.432 nan 8.230 nan 0.000 0.490 522 L N 1.134 122.393 121.223 0.061 0.000 2.042 522 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 522 L C 2.243 179.113 176.870 0.001 0.000 1.076 522 L CA 1.537 56.400 54.840 0.039 0.000 0.749 522 L CB -0.858 41.250 42.059 0.081 0.000 0.893 522 L HN 0.336 nan 8.230 nan 0.000 0.432 523 D N 0.298 120.700 120.400 0.004 0.000 2.149 523 D HA -0.174 4.466 4.640 -0.000 0.000 0.198 523 D C 2.127 178.409 176.300 -0.030 0.000 0.990 523 D CA 1.285 55.277 54.000 -0.013 0.000 0.839 523 D CB -0.089 40.707 40.800 -0.006 0.000 0.948 523 D HN 0.345 nan 8.370 nan 0.000 0.460 524 K N 0.079 120.465 120.400 -0.023 0.000 2.305 524 K HA 0.071 4.391 4.320 -0.000 0.000 0.199 524 K C 2.154 178.722 176.600 -0.053 0.000 1.047 524 K CA 0.325 56.594 56.287 -0.030 0.000 0.976 524 K CB 0.302 32.795 32.500 -0.012 0.000 0.765 524 K HN 0.318 nan 8.250 nan 0.000 0.474 525 I N -2.621 117.911 120.570 -0.063 0.000 3.265 525 I HA 0.037 4.207 4.170 -0.000 0.000 0.282 525 I C 1.133 177.175 176.117 -0.125 0.000 1.207 525 I CA 0.299 61.550 61.300 -0.082 0.000 1.449 525 I CB -0.059 37.897 38.000 -0.073 0.000 1.121 525 I HN -0.130 nan 8.210 nan 0.000 0.442 526 N N 1.774 120.395 118.700 -0.131 0.000 2.364 526 N HA -0.089 4.651 4.740 -0.000 0.000 0.183 526 N C 1.832 177.080 175.510 -0.436 0.000 1.022 526 N CA 0.973 53.898 53.050 -0.209 0.000 0.883 526 N CB -0.172 38.240 38.487 -0.125 0.000 0.965 526 N HN 0.290 nan 8.380 nan 0.000 0.438 527 V N 0.865 120.597 119.914 -0.304 0.000 3.141 527 V HA -0.009 4.111 4.120 -0.000 0.000 0.265 527 V C 1.818 177.735 176.094 -0.294 0.000 1.126 527 V CA 0.765 62.880 62.300 -0.308 0.000 1.141 527 V CB -0.170 31.578 31.823 -0.126 0.000 0.743 527 V HN 0.237 nan 8.190 nan 0.000 0.492 528 L N -1.498 119.574 121.223 -0.252 0.000 2.416 528 L HA 0.213 4.553 4.340 -0.000 0.000 0.216 528 L C 0.916 177.755 176.870 -0.052 0.000 1.098 528 L CA 0.260 55.032 54.840 -0.113 0.000 0.840 528 L CB -0.396 41.618 42.059 -0.076 0.000 0.981 528 L HN 0.388 nan 8.230 nan 0.000 0.462 529 H N 0.092 119.136 119.070 -0.044 0.000 2.692 529 H HA -0.156 4.400 4.556 -0.000 0.000 0.316 529 H C -0.039 175.240 175.328 -0.081 0.000 1.176 529 H CA 0.266 56.282 56.048 -0.054 0.000 1.142 529 H CB -1.442 28.293 29.762 -0.045 0.000 1.475 529 H HN 0.330 nan 8.280 nan 0.000 0.423 530 K N 1.711 122.088 120.400 -0.037 0.000 2.174 530 K HA 0.304 4.624 4.320 -0.000 0.000 0.275 530 K C -1.894 174.608 176.600 -0.164 0.000 1.015 530 K CA -1.635 54.576 56.287 -0.127 0.000 0.933 530 K CB 0.746 33.134 32.500 -0.187 0.000 1.025 530 K HN 0.078 nan 8.250 nan 0.000 0.463 531 P HA 0.272 nan 4.420 nan 0.000 0.281 531 P C -2.604 174.494 177.300 -0.337 0.000 1.249 531 P CA -1.543 61.427 63.100 -0.217 0.000 0.810 531 P CB -0.228 31.357 31.700 -0.192 0.000 1.008 532 P HA -0.004 nan 4.420 nan 0.000 0.265 532 P C -0.710 176.397 177.300 -0.322 0.000 1.187 532 P CA 0.476 63.455 63.100 -0.203 0.000 0.766 532 P CB 0.013 31.652 31.700 -0.101 0.000 0.820 533 Y N 0.396 120.546 120.300 -0.249 0.000 2.301 533 Y HA 0.148 4.698 4.550 -0.000 0.000 0.328 533 Y C 1.335 176.962 175.900 -0.455 0.000 1.242 533 Y CA 0.164 58.017 58.100 -0.411 0.000 1.323 533 Y CB 0.598 38.784 38.460 -0.457 0.000 1.266 533 Y HN 0.338 nan 8.280 nan 0.000 0.527 534 E N 2.041 122.203 120.200 -0.063 0.000 2.115 534 E HA 0.190 4.540 4.350 -0.000 0.000 0.282 534 E C -1.161 175.509 176.600 0.118 0.000 0.987 534 E CA -0.432 55.938 56.400 -0.051 0.000 0.797 534 E CB 0.429 30.154 29.700 0.042 0.000 1.086 534 E HN 0.624 nan 8.360 nan 0.000 0.397 535 H N 2.383 121.601 119.070 0.246 0.000 2.482 535 H HA 0.242 4.798 4.556 -0.000 0.000 0.344 535 H C -2.076 173.388 175.328 0.226 0.000 1.151 535 H CA -2.356 53.820 56.048 0.213 0.000 1.300 535 H CB 0.358 30.240 29.762 0.199 0.000 1.494 535 H HN 0.310 nan 8.280 nan 0.000 0.542 536 P HA -0.037 nan 4.420 nan 0.000 0.266 536 P C 0.059 177.708 177.300 0.580 0.000 1.195 536 P CA -0.134 63.177 63.100 0.351 0.000 0.768 536 P CB 0.796 32.667 31.700 0.285 0.000 0.838 537 K N 1.144 121.805 120.400 0.435 0.000 2.374 537 K HA 0.171 4.491 4.320 -0.000 0.000 0.202 537 K C 0.033 176.858 176.600 0.376 0.000 1.040 537 K CA 0.361 56.856 56.287 0.346 0.000 1.085 537 K CB 0.185 32.769 32.500 0.139 0.000 0.873 537 K HN 0.634 nan 8.250 nan 0.000 0.539 538 D N -1.792 118.907 120.400 0.498 0.000 2.759 538 D HA 0.203 4.843 4.640 -0.000 0.000 0.321 538 D C 0.042 176.526 176.300 0.306 0.000 1.267 538 D CA -0.774 53.490 54.000 0.440 0.000 0.933 538 D CB 0.437 41.364 40.800 0.211 0.000 1.431 538 D HN -0.161 nan 8.370 nan 0.000 0.504 539 L N -0.095 121.206 121.223 0.130 0.000 3.017 539 L HA 0.359 4.699 4.340 -0.000 0.000 0.255 539 L C 1.451 178.326 176.870 0.008 0.000 1.247 539 L CA -0.384 54.423 54.840 -0.055 0.000 1.038 539 L CB -0.072 41.861 42.059 -0.209 0.000 1.380 539 L HN 0.276 nan 8.230 nan 0.000 0.548 540 K N 0.456 120.889 120.400 0.055 0.000 2.062 540 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 540 K C 1.682 178.300 176.600 0.030 0.000 1.051 540 K CA 1.196 57.506 56.287 0.039 0.000 0.941 540 K CB 0.034 32.562 32.500 0.047 0.000 0.719 540 K HN 0.217 nan 8.250 nan 0.000 0.440 541 L N 0.574 121.820 121.223 0.038 0.000 2.313 541 L HA -0.042 4.298 4.340 -0.000 0.000 0.214 541 L C 1.741 178.624 176.870 0.021 0.000 1.119 541 L CA 0.976 55.829 54.840 0.023 0.000 0.809 541 L CB -0.136 41.930 42.059 0.012 0.000 0.933 541 L HN 0.005 nan 8.230 nan 0.000 0.449 542 S N -1.770 113.948 115.700 0.030 0.000 2.634 542 S HA 0.098 4.568 4.470 -0.000 0.000 0.221 542 S C 0.383 174.990 174.600 0.012 0.000 0.952 542 S CA 0.014 58.236 58.200 0.037 0.000 0.930 542 S CB -0.293 62.957 63.200 0.083 0.000 0.780 542 S HN 0.399 nan 8.310 nan 0.000 0.498 543 D N 0.853 121.255 120.400 0.004 0.000 2.800 543 D HA -0.124 4.516 4.640 -0.000 0.000 0.232 543 D C 1.038 177.321 176.300 -0.029 0.000 1.137 543 D CA 1.202 55.200 54.000 -0.004 0.000 0.718 543 D CB -1.527 39.277 40.800 0.006 0.000 1.084 543 D HN 0.720 nan 8.370 nan 0.000 0.432 544 G N -0.598 108.171 108.800 -0.051 0.000 2.179 544 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.260 544 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.260 544 G C 0.342 175.141 174.900 -0.167 0.000 0.977 544 G CA 0.394 45.440 45.100 -0.089 0.000 0.641 544 G HN 0.545 nan 8.290 nan 0.000 0.533 545 R N -0.228 120.183 120.500 -0.149 0.000 2.265 545 R HA 0.515 4.855 4.340 -0.000 0.000 0.319 545 R C -0.123 176.015 176.300 -0.271 0.000 1.006 545 R CA -0.871 55.112 56.100 -0.195 0.000 0.880 545 R CB 1.567 31.830 30.300 -0.062 0.000 1.077 545 R HN 0.185 nan 8.270 nan 0.000 0.454 546 L N 3.708 124.650 121.223 -0.468 0.000 2.410 546 L HA 0.118 4.458 4.340 -0.000 0.000 0.273 546 L C 0.014 176.838 176.870 -0.077 0.000 1.144 546 L CA 0.419 54.962 54.840 -0.494 0.000 0.863 546 L CB 0.312 42.017 42.059 -0.590 0.000 1.140 546 L HN 0.403 nan 8.230 nan 0.000 0.463 547 R N 4.088 124.701 120.500 0.189 0.000 2.196 547 R HA 0.484 4.824 4.340 -0.000 0.000 0.340 547 R C -1.130 175.130 176.300 -0.067 0.000 1.043 547 R CA -0.502 55.652 56.100 0.089 0.000 0.883 547 R CB 0.937 31.142 30.300 -0.157 0.000 1.078 547 R HN 0.458 nan 8.270 nan 0.000 0.462 548 V N 2.287 122.174 119.914 -0.046 0.000 2.459 548 V HA 0.537 4.657 4.120 -0.000 0.000 0.295 548 V C 0.523 176.511 176.094 -0.176 0.000 1.029 548 V CA -0.858 61.273 62.300 -0.283 0.000 0.874 548 V CB 1.900 33.420 31.823 -0.505 0.000 0.985 548 V HN 0.899 nan 8.190 nan 0.000 0.438 549 G N 3.187 111.850 108.800 -0.229 0.000 2.422 549 G HA2 0.580 4.540 3.960 -0.000 0.000 0.317 549 G HA3 0.580 4.540 3.960 -0.000 0.000 0.317 549 G C -1.369 173.530 174.900 -0.003 0.000 1.210 549 G CA -0.325 44.809 45.100 0.056 0.000 0.930 549 G HN 0.531 nan 8.290 nan 0.000 0.468 550 Y N 2.214 122.734 120.300 0.366 0.000 2.404 550 Y HA 0.365 4.915 4.550 -0.000 0.000 0.344 550 Y C 0.370 176.595 175.900 0.541 0.000 0.970 550 Y CA -0.584 57.791 58.100 0.459 0.000 1.180 550 Y CB 1.652 40.437 38.460 0.542 0.000 1.138 550 Y HN 0.281 nan 8.280 nan 0.000 0.510 551 V N 2.982 123.227 119.914 0.552 0.000 2.407 551 V HA 0.658 4.778 4.120 -0.000 0.000 0.278 551 V C -0.052 176.183 176.094 0.235 0.000 1.037 551 V CA -0.423 62.129 62.300 0.420 0.000 0.900 551 V CB 1.274 33.310 31.823 0.355 0.000 0.983 551 V HN 0.736 nan 8.190 nan 0.000 0.459 552 S N 2.444 118.158 115.700 0.024 0.000 2.543 552 S HA 0.365 4.835 4.470 -0.000 0.000 0.274 552 S C 0.372 174.781 174.600 -0.318 0.000 1.149 552 S CA 0.085 58.083 58.200 -0.337 0.000 0.866 552 S CB 2.033 64.697 63.200 -0.893 0.000 1.111 552 S HN 1.011 nan 8.310 nan 0.000 0.457 553 S N 1.361 116.910 115.700 -0.252 0.000 2.577 553 S HA 0.276 4.746 4.470 -0.000 0.000 0.219 553 S C -0.148 174.312 174.600 -0.233 0.000 0.962 553 S CA -0.173 57.935 58.200 -0.152 0.000 0.921 553 S CB -0.105 63.042 63.200 -0.087 0.000 0.789 553 S HN 0.635 nan 8.310 nan 0.000 0.497 554 D N 0.978 121.117 120.400 -0.435 0.000 2.462 554 D HA 0.225 4.865 4.640 -0.000 0.000 0.221 554 D C -0.900 175.266 176.300 -0.223 0.000 1.173 554 D CA -0.276 53.446 54.000 -0.465 0.000 0.831 554 D CB -0.098 40.230 40.800 -0.786 0.000 1.001 554 D HN 0.332 nan 8.370 nan 0.000 0.499 555 F N 1.976 121.959 119.950 0.055 0.000 2.651 555 F HA 0.461 4.988 4.527 -0.000 0.000 0.347 555 F C 1.478 177.374 175.800 0.159 0.000 1.284 555 F CA -0.275 57.813 58.000 0.147 0.000 1.175 555 F CB 0.225 39.395 39.000 0.284 0.000 1.542 555 F HN -0.056 nan 8.300 nan 0.000 0.661 556 G N 1.658 110.635 108.800 0.296 0.000 2.360 556 G HA2 0.011 3.971 3.960 -0.000 0.000 0.276 556 G HA3 0.011 3.971 3.960 -0.000 0.000 0.276 556 G C -1.175 173.853 174.900 0.214 0.000 1.256 556 G CA -1.132 44.144 45.100 0.293 0.000 0.890 556 G HN 0.150 nan 8.290 nan 0.000 0.486 557 N N 1.166 120.040 118.700 0.290 0.000 2.605 557 N HA 0.267 5.007 4.740 -0.000 0.000 0.282 557 N C -0.369 175.139 175.510 -0.003 0.000 1.206 557 N CA 0.159 53.318 53.050 0.180 0.000 1.074 557 N CB -0.659 38.066 38.487 0.397 0.000 1.434 557 N HN 0.679 nan 8.380 nan 0.000 0.506 558 H N 2.616 121.381 119.070 -0.508 0.000 3.038 558 H HA 0.242 4.798 4.556 -0.000 0.000 0.362 558 H C -2.233 172.550 175.328 -0.909 0.000 1.167 558 H CA -1.303 54.467 56.048 -0.464 0.000 1.197 558 H CB 2.217 31.848 29.762 -0.218 0.000 1.840 558 H HN 0.105 nan 8.280 nan 0.000 0.540 559 P HA -0.208 nan 4.420 nan 0.000 0.219 559 P C 1.324 178.475 177.300 -0.249 0.000 1.158 559 P CA 2.241 65.063 63.100 -0.463 0.000 0.895 559 P CB -0.084 31.443 31.700 -0.288 0.000 0.792 560 T N -0.666 113.916 114.554 0.047 0.000 2.720 560 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 560 T C 2.026 176.642 174.700 -0.139 0.000 1.037 560 T CA 1.916 63.984 62.100 -0.052 0.000 1.144 560 T CB -0.736 68.095 68.868 -0.062 0.000 0.864 560 T HN 0.171 nan 8.240 nan 0.000 0.444 561 S N 0.351 115.945 115.700 -0.176 0.000 2.387 561 S HA -0.069 4.401 4.470 -0.000 0.000 0.226 561 S C 1.651 176.185 174.600 -0.110 0.000 1.026 561 S CA 0.762 58.898 58.200 -0.106 0.000 0.972 561 S CB -0.354 62.789 63.200 -0.096 0.000 0.814 561 S HN 0.715 nan 8.310 nan 0.000 0.477 562 H N 0.564 119.485 119.070 -0.248 0.000 2.518 562 H HA 0.081 4.637 4.556 -0.000 0.000 0.289 562 H C 1.669 176.896 175.328 -0.169 0.000 1.051 562 H CA 0.644 56.547 56.048 -0.242 0.000 1.280 562 H CB -0.086 29.541 29.762 -0.224 0.000 1.380 562 H HN 0.282 nan 8.280 nan 0.000 0.566 563 L N -0.213 120.972 121.223 -0.063 0.000 2.189 563 L HA -0.002 4.338 4.340 -0.000 0.000 0.199 563 L C 1.394 178.167 176.870 -0.162 0.000 1.074 563 L CA 0.535 55.288 54.840 -0.145 0.000 0.783 563 L CB 0.028 41.901 42.059 -0.310 0.000 0.955 563 L HN 0.355 nan 8.230 nan 0.000 0.460 564 M N -1.470 118.058 119.600 -0.121 0.000 2.412 564 M HA 0.164 4.644 4.480 -0.000 0.000 0.315 564 M C 1.385 177.709 176.300 0.041 0.000 1.092 564 M CA 0.151 55.428 55.300 -0.038 0.000 0.974 564 M CB -0.456 32.156 32.600 0.020 0.000 1.437 564 M HN 0.111 nan 8.290 nan 0.000 0.524 565 Q N -0.054 119.776 119.800 0.049 0.000 2.368 565 Q HA -0.025 4.315 4.340 -0.000 0.000 0.210 565 Q C 0.941 176.969 176.000 0.046 0.000 0.982 565 Q CA 1.831 57.690 55.803 0.093 0.000 0.884 565 Q CB -0.440 28.394 28.738 0.161 0.000 0.933 565 Q HN 0.540 nan 8.270 nan 0.000 0.460 566 S N 0.019 115.727 115.700 0.013 0.000 2.524 566 S HA 0.210 4.680 4.470 -0.000 0.000 0.216 566 S C 1.626 176.219 174.600 -0.011 0.000 0.987 566 S CA -0.115 58.081 58.200 -0.006 0.000 0.909 566 S CB 0.060 63.247 63.200 -0.023 0.000 0.781 566 S HN 0.339 nan 8.310 nan 0.000 0.521 567 I N 2.225 122.793 120.570 -0.003 0.000 2.202 567 I HA -0.089 4.081 4.170 -0.000 0.000 0.242 567 I C -1.023 175.068 176.117 -0.043 0.000 1.091 567 I CA 1.062 62.342 61.300 -0.034 0.000 1.368 567 I CB -1.382 36.638 38.000 0.034 0.000 1.058 567 I HN 0.150 nan 8.210 nan 0.000 0.410 568 P HA -0.152 nan 4.420 nan 0.000 0.216 568 P C 1.444 178.829 177.300 0.143 0.000 1.150 568 P CA 1.646 64.838 63.100 0.153 0.000 0.843 568 P CB -0.224 31.500 31.700 0.040 0.000 0.787 569 G N -1.796 107.031 108.800 0.045 0.000 2.744 569 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.211 569 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.211 569 G C 1.181 176.092 174.900 0.019 0.000 1.143 569 G CA 0.190 45.304 45.100 0.025 0.000 0.788 569 G HN 0.243 nan 8.290 nan 0.000 0.534 570 M N 0.270 119.862 119.600 -0.013 0.000 2.371 570 M HA 0.222 4.702 4.480 -0.000 0.000 0.246 570 M C 0.172 176.427 176.300 -0.075 0.000 1.103 570 M CA -0.177 55.092 55.300 -0.051 0.000 1.010 570 M CB 0.332 32.884 32.600 -0.081 0.000 1.457 570 M HN 0.049 nan 8.290 nan 0.000 0.486 571 H N 1.386 120.459 119.070 0.004 0.000 2.790 571 H HA 0.039 4.595 4.556 -0.000 0.000 0.358 571 H C -0.043 175.321 175.328 0.059 0.000 1.103 571 H CA 0.526 56.570 56.048 -0.007 0.000 1.426 571 H CB 0.504 30.283 29.762 0.028 0.000 1.424 571 H HN 0.033 nan 8.280 nan 0.000 0.599 572 N N 3.931 122.787 118.700 0.261 0.000 2.405 572 N HA 0.026 4.766 4.740 -0.000 0.000 0.260 572 N C -1.892 173.780 175.510 0.270 0.000 1.152 572 N CA -1.659 51.542 53.050 0.252 0.000 0.948 572 N CB 0.796 39.456 38.487 0.288 0.000 1.111 572 N HN 0.260 nan 8.380 nan 0.000 0.485 573 P HA -0.084 nan 4.420 nan 0.000 0.221 573 P C 0.440 177.793 177.300 0.088 0.000 1.145 573 P CA 0.899 64.065 63.100 0.109 0.000 0.795 573 P CB 0.344 32.079 31.700 0.058 0.000 0.775 574 D N -0.951 119.503 120.400 0.090 0.000 2.249 574 D HA -0.088 4.552 4.640 -0.000 0.000 0.205 574 D C 1.576 177.880 176.300 0.007 0.000 0.962 574 D CA 1.084 55.111 54.000 0.046 0.000 0.860 574 D CB 0.055 40.882 40.800 0.045 0.000 0.955 574 D HN -0.108 nan 8.370 nan 0.000 0.505 575 K N -1.099 119.314 120.400 0.022 0.000 2.391 575 K HA 0.169 4.489 4.320 -0.000 0.000 0.197 575 K C -0.418 175.869 176.600 -0.521 0.000 1.087 575 K CA 0.057 56.209 56.287 -0.226 0.000 1.012 575 K CB 1.088 33.450 32.500 -0.231 0.000 0.925 575 K HN 0.115 nan 8.250 nan 0.000 0.547 576 F N 0.690 120.657 119.950 0.029 0.000 2.576 576 F HA 0.367 4.894 4.527 -0.000 0.000 0.313 576 F C -0.172 175.630 175.800 0.005 0.000 1.078 576 F CA -0.992 57.012 58.000 0.007 0.000 0.921 576 F CB 2.244 41.263 39.000 0.033 0.000 1.232 576 F HN -0.251 nan 8.300 nan 0.000 0.459 577 E N 1.996 122.312 120.200 0.193 0.000 2.185 577 E HA 0.550 4.900 4.350 -0.000 0.000 0.261 577 E C -1.791 174.926 176.600 0.195 0.000 0.879 577 E CA -0.566 55.931 56.400 0.162 0.000 0.756 577 E CB 1.745 31.589 29.700 0.240 0.000 1.152 577 E HN 0.439 nan 8.360 nan 0.000 0.416 578 V N 5.937 125.873 119.914 0.036 0.000 2.350 578 V HA 0.343 4.463 4.120 -0.000 0.000 0.276 578 V C -0.530 175.560 176.094 -0.005 0.000 1.028 578 V CA -0.376 61.969 62.300 0.076 0.000 0.860 578 V CB 0.193 32.060 31.823 0.074 0.000 0.990 578 V HN 0.559 nan 8.190 nan 0.000 0.453 579 F N 3.054 123.021 119.950 0.028 0.000 2.427 579 F HA 0.453 4.980 4.527 -0.000 0.000 0.346 579 F C 0.432 176.149 175.800 -0.138 0.000 1.120 579 F CA -0.516 57.423 58.000 -0.102 0.000 1.033 579 F CB 1.272 40.153 39.000 -0.199 0.000 1.126 579 F HN 0.347 nan 8.300 nan 0.000 0.462 580 C N 3.837 123.047 119.300 -0.150 0.000 2.264 580 C HA 0.402 4.862 4.460 -0.000 0.000 0.324 580 C C -0.592 174.076 174.990 -0.537 0.000 1.267 580 C CA -1.025 57.868 59.018 -0.208 0.000 1.618 580 C CB -0.759 26.759 27.740 -0.370 0.000 2.278 580 C HN 0.619 nan 8.230 nan 0.000 0.499 581 Y N 2.313 122.623 120.300 0.017 0.000 2.434 581 Y HA 0.490 5.040 4.550 -0.000 0.000 0.341 581 Y C 0.740 176.699 175.900 0.099 0.000 0.965 581 Y CA -0.184 57.889 58.100 -0.045 0.000 1.205 581 Y CB 0.556 39.017 38.460 0.001 0.000 1.121 581 Y HN 0.785 nan 8.280 nan 0.000 0.507 582 A N 4.154 126.978 122.820 0.008 0.000 2.366 582 A HA 0.442 4.762 4.320 -0.000 0.000 0.272 582 A C 0.407 178.093 177.584 0.169 0.000 1.135 582 A CA -0.432 51.753 52.037 0.247 0.000 0.804 582 A CB 0.346 19.502 19.000 0.260 0.000 1.064 582 A HN 1.010 nan 8.150 nan 0.000 0.499 583 L N 2.060 123.368 121.223 0.142 0.000 2.667 583 L HA 0.145 4.485 4.340 -0.000 0.000 0.232 583 L C 0.690 177.613 176.870 0.088 0.000 1.138 583 L CA 0.309 55.203 54.840 0.090 0.000 0.921 583 L CB -0.306 41.784 42.059 0.053 0.000 1.180 583 L HN 0.770 nan 8.230 nan 0.000 0.487 584 S N -0.981 114.794 115.700 0.125 0.000 2.548 584 S HA 0.672 5.142 4.470 -0.000 0.000 0.286 584 S C -2.812 171.886 174.600 0.163 0.000 1.098 584 S CA -1.470 56.803 58.200 0.122 0.000 0.930 584 S CB 2.220 65.480 63.200 0.101 0.000 1.070 584 S HN -0.191 nan 8.310 nan 0.000 0.480 585 P HA 0.157 nan 4.420 nan 0.000 0.272 585 P C -0.738 176.652 177.300 0.149 0.000 1.240 585 P CA -0.163 63.019 63.100 0.137 0.000 0.791 585 P CB 0.277 32.037 31.700 0.100 0.000 0.978 586 D N 1.293 121.774 120.400 0.136 0.000 2.389 586 D HA -0.062 4.578 4.640 -0.000 0.000 0.263 586 D C 0.792 177.150 176.300 0.097 0.000 1.255 586 D CA 0.138 54.206 54.000 0.113 0.000 0.914 586 D CB 0.100 40.940 40.800 0.067 0.000 1.116 586 D HN 0.292 nan 8.370 nan 0.000 0.502 587 D N 2.761 123.230 120.400 0.114 0.000 2.349 587 D HA 0.044 4.684 4.640 -0.000 0.000 0.224 587 D C 1.355 177.709 176.300 0.090 0.000 1.029 587 D CA 0.561 54.626 54.000 0.109 0.000 0.879 587 D CB -0.158 40.724 40.800 0.137 0.000 0.906 587 D HN 0.598 nan 8.370 nan 0.000 0.528 588 G N 0.255 109.095 108.800 0.068 0.000 2.179 588 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 588 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 588 G C 0.478 175.394 174.900 0.026 0.000 0.977 588 G CA 0.673 45.795 45.100 0.037 0.000 0.641 588 G HN 0.802 nan 8.290 nan 0.000 0.533 589 T N -2.111 112.479 114.554 0.060 0.000 2.902 589 T HA 0.558 4.908 4.350 -0.000 0.000 0.280 589 T C 1.298 175.959 174.700 -0.065 0.000 0.992 589 T CA 0.132 62.251 62.100 0.032 0.000 1.015 589 T CB 1.262 70.252 68.868 0.203 0.000 1.044 589 T HN -0.060 nan 8.240 nan 0.000 0.520 590 N N 0.159 118.706 118.700 -0.255 0.000 2.309 590 N HA 0.019 4.759 4.740 -0.000 0.000 0.182 590 N C 1.290 176.651 175.510 -0.247 0.000 1.018 590 N CA 0.689 53.561 53.050 -0.297 0.000 0.876 590 N CB -0.750 37.501 38.487 -0.392 0.000 0.972 590 N HN 0.636 nan 8.380 nan 0.000 0.434 591 F N 1.110 121.079 119.950 0.031 0.000 2.095 591 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 591 F C 2.516 178.339 175.800 0.039 0.000 1.104 591 F CA 0.916 58.950 58.000 0.056 0.000 1.232 591 F CB -0.637 38.438 39.000 0.125 0.000 0.987 591 F HN -0.012 nan 8.300 nan 0.000 0.475 592 R N 1.021 121.647 120.500 0.209 0.000 2.073 592 R HA -0.106 4.234 4.340 -0.000 0.000 0.234 592 R C 2.073 178.308 176.300 -0.109 0.000 1.134 592 R CA 1.584 57.732 56.100 0.079 0.000 0.952 592 R CB -1.125 29.224 30.300 0.082 0.000 0.850 592 R HN 0.155 nan 8.270 nan 0.000 0.433 593 V N 1.542 121.393 119.914 -0.104 0.000 2.282 593 V HA -0.315 3.805 4.120 -0.000 0.000 0.249 593 V C 2.477 178.478 176.094 -0.155 0.000 1.057 593 V CA 2.384 64.593 62.300 -0.153 0.000 1.032 593 V CB -0.620 31.129 31.823 -0.123 0.000 0.645 593 V HN 0.460 nan 8.190 nan 0.000 0.447 594 K N -0.236 120.104 120.400 -0.101 0.000 2.032 594 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 594 K C 2.053 178.600 176.600 -0.089 0.000 1.048 594 K CA 1.886 58.125 56.287 -0.079 0.000 0.927 594 K CB -0.203 32.276 32.500 -0.035 0.000 0.712 594 K HN 0.353 nan 8.250 nan 0.000 0.441 595 V N 1.485 121.346 119.914 -0.087 0.000 2.295 595 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 595 V C 2.407 178.387 176.094 -0.191 0.000 1.049 595 V CA 1.959 64.193 62.300 -0.110 0.000 1.024 595 V CB -0.391 31.366 31.823 -0.110 0.000 0.648 595 V HN 0.397 nan 8.190 nan 0.000 0.447 596 M N -0.138 119.193 119.600 -0.449 0.000 2.202 596 M HA -0.160 4.320 4.480 -0.000 0.000 0.262 596 M C 2.218 178.359 176.300 -0.266 0.000 1.063 596 M CA 2.025 56.955 55.300 -0.617 0.000 1.097 596 M CB -0.471 31.609 32.600 -0.868 0.000 1.382 596 M HN 0.425 nan 8.290 nan 0.000 0.413 597 A N -0.256 122.443 122.820 -0.201 0.000 1.975 597 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 597 A C 1.881 179.403 177.584 -0.104 0.000 1.170 597 A CA 1.169 53.124 52.037 -0.135 0.000 0.656 597 A CB -0.242 18.688 19.000 -0.116 0.000 0.821 597 A HN 0.492 nan 8.150 nan 0.000 0.449 598 E N -0.368 119.778 120.200 -0.089 0.000 2.340 598 E HA 0.292 4.642 4.350 -0.000 0.000 0.198 598 E C 0.822 177.389 176.600 -0.055 0.000 0.961 598 E CA 0.172 56.535 56.400 -0.062 0.000 0.905 598 E CB 0.097 29.773 29.700 -0.041 0.000 0.884 598 E HN 0.526 nan 8.360 nan 0.000 0.491 599 A N 1.402 124.189 122.820 -0.054 0.000 2.445 599 A HA 0.019 4.339 4.320 -0.000 0.000 0.242 599 A C 0.456 177.943 177.584 -0.161 0.000 1.075 599 A CA -0.024 51.980 52.037 -0.055 0.000 0.777 599 A CB 0.042 19.040 19.000 -0.004 0.000 1.013 599 A HN 0.182 nan 8.150 nan 0.000 0.493 600 N N 0.106 118.650 118.700 -0.260 0.000 2.223 600 N HA -0.058 4.682 4.740 -0.000 0.000 0.185 600 N C -0.171 174.787 175.510 -0.921 0.000 1.016 600 N CA 1.192 53.917 53.050 -0.542 0.000 0.863 600 N CB -0.000 38.149 38.487 -0.563 0.000 0.983 600 N HN 0.727 nan 8.380 nan 0.000 0.429 601 H N -1.329 117.509 119.070 -0.386 0.000 2.856 601 H HA 0.209 4.765 4.556 -0.000 0.000 0.355 601 H C -1.676 173.532 175.328 -0.200 0.000 1.079 601 H CA -0.687 55.142 56.048 -0.365 0.000 1.240 601 H CB 1.104 30.436 29.762 -0.718 0.000 1.701 601 H HN -0.043 nan 8.280 nan 0.000 0.527 602 F N 3.834 123.707 119.950 -0.127 0.000 2.445 602 F HA 0.425 4.952 4.527 -0.000 0.000 0.348 602 F C -1.131 174.611 175.800 -0.097 0.000 1.125 602 F CA -0.791 57.121 58.000 -0.147 0.000 0.983 602 F CB 0.482 39.398 39.000 -0.139 0.000 1.198 602 F HN 0.300 nan 8.300 nan 0.000 0.436 603 I N 5.004 125.319 120.570 -0.427 0.000 2.354 603 I HA 0.229 4.399 4.170 -0.000 0.000 0.292 603 I C -0.421 175.579 176.117 -0.196 0.000 0.989 603 I CA -0.505 60.677 61.300 -0.198 0.000 1.188 603 I CB 1.217 39.128 38.000 -0.148 0.000 1.342 603 I HN 0.384 nan 8.210 nan 0.000 0.457 604 D N 6.580 126.996 120.400 0.026 0.000 2.468 604 D HA 0.196 4.836 4.640 -0.000 0.000 0.218 604 D C 0.752 177.107 176.300 0.090 0.000 1.155 604 D CA 0.033 54.090 54.000 0.097 0.000 0.924 604 D CB 0.707 41.624 40.800 0.195 0.000 1.029 604 D HN 0.499 nan 8.370 nan 0.000 0.515 605 L N 2.350 123.626 121.223 0.088 0.000 2.552 605 L HA -0.087 4.253 4.340 -0.000 0.000 0.227 605 L C 2.270 179.183 176.870 0.072 0.000 1.146 605 L CA 0.422 55.312 54.840 0.084 0.000 0.858 605 L CB -0.259 41.850 42.059 0.085 0.000 0.969 605 L HN 0.344 nan 8.230 nan 0.000 0.451 606 S N -0.780 114.972 115.700 0.086 0.000 2.469 606 S HA -0.206 4.264 4.470 -0.000 0.000 0.238 606 S C 1.571 176.211 174.600 0.067 0.000 0.998 606 S CA 0.758 59.005 58.200 0.078 0.000 0.957 606 S CB -0.166 63.090 63.200 0.094 0.000 0.764 606 S HN 0.560 nan 8.310 nan 0.000 0.514 607 Q N 0.133 119.974 119.800 0.068 0.000 2.280 607 Q HA 0.411 4.751 4.340 -0.000 0.000 0.201 607 Q C -0.221 175.807 176.000 0.047 0.000 0.890 607 Q CA 0.149 55.987 55.803 0.058 0.000 0.947 607 Q CB 0.274 29.049 28.738 0.063 0.000 1.081 607 Q HN 0.617 nan 8.270 nan 0.000 0.502 608 I N 2.006 122.602 120.570 0.044 0.000 2.833 608 I HA 0.154 4.324 4.170 -0.000 0.000 0.286 608 I C -1.762 174.369 176.117 0.024 0.000 1.287 608 I CA -1.651 59.669 61.300 0.032 0.000 1.046 608 I CB 1.040 39.058 38.000 0.030 0.000 1.612 608 I HN -0.091 nan 8.210 nan 0.000 0.585 609 P HA -0.165 nan 4.420 nan 0.000 0.218 609 P C 0.913 178.221 177.300 0.012 0.000 1.148 609 P CA 0.814 63.927 63.100 0.022 0.000 0.822 609 P CB 0.049 31.763 31.700 0.024 0.000 0.784 610 C N 1.927 121.233 119.300 0.009 0.000 2.648 610 C HA 0.149 4.609 4.460 -0.000 0.000 0.415 610 C C 2.048 177.032 174.990 -0.010 0.000 1.366 610 C CA -0.457 58.561 59.018 0.001 0.000 1.756 610 C CB -1.326 26.416 27.740 0.004 0.000 2.549 610 C HN 0.173 nan 8.230 nan 0.000 0.597 611 N N 3.301 121.990 118.700 -0.018 0.000 2.270 611 N HA -0.024 4.716 4.740 -0.000 0.000 0.181 611 N C 1.910 177.398 175.510 -0.035 0.000 1.016 611 N CA 1.484 54.512 53.050 -0.037 0.000 0.870 611 N CB -0.287 38.174 38.487 -0.044 0.000 0.979 611 N HN 0.959 nan 8.380 nan 0.000 0.431 612 G N 1.564 110.354 108.800 -0.018 0.000 2.421 612 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 612 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 612 G C 1.609 176.519 174.900 0.016 0.000 1.171 612 G CA 0.576 45.677 45.100 0.002 0.000 0.775 612 G HN 0.293 nan 8.290 nan 0.000 0.543 613 K N 0.560 120.963 120.400 0.005 0.000 2.097 613 K HA 0.124 4.444 4.320 -0.000 0.000 0.205 613 K C 2.916 179.513 176.600 -0.005 0.000 1.050 613 K CA 0.822 57.115 56.287 0.010 0.000 0.938 613 K CB -0.131 32.376 32.500 0.011 0.000 0.718 613 K HN 0.269 nan 8.250 nan 0.000 0.442 614 A N 1.774 124.577 122.820 -0.028 0.000 1.873 614 A HA -0.077 4.243 4.320 -0.000 0.000 0.215 614 A C 2.427 179.930 177.584 -0.135 0.000 1.186 614 A CA 1.706 53.705 52.037 -0.064 0.000 0.616 614 A CB -0.704 18.255 19.000 -0.069 0.000 0.823 614 A HN 0.296 nan 8.150 nan 0.000 0.442 615 A N 0.259 122.996 122.820 -0.138 0.000 1.892 615 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 615 A C 1.785 179.241 177.584 -0.213 0.000 1.188 615 A CA 2.090 53.997 52.037 -0.216 0.000 0.631 615 A CB -0.796 18.145 19.000 -0.098 0.000 0.822 615 A HN 0.473 nan 8.150 nan 0.000 0.447 616 D N -0.743 119.649 120.400 -0.015 0.000 2.116 616 D HA -0.204 4.436 4.640 -0.000 0.000 0.193 616 D C 2.069 178.360 176.300 -0.016 0.000 0.998 616 D CA 1.804 55.841 54.000 0.061 0.000 0.836 616 D CB -0.333 40.527 40.800 0.100 0.000 0.951 616 D HN 0.402 nan 8.370 nan 0.000 0.449 617 R N 0.936 121.411 120.500 -0.042 0.000 2.083 617 R HA -0.080 4.260 4.340 -0.000 0.000 0.237 617 R C 2.326 178.576 176.300 -0.084 0.000 1.137 617 R CA 1.073 57.157 56.100 -0.028 0.000 0.951 617 R CB -0.934 29.373 30.300 0.012 0.000 0.851 617 R HN 0.225 nan 8.270 nan 0.000 0.434 618 I N -0.046 120.382 120.570 -0.236 0.000 2.163 618 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 618 I C 2.607 178.513 176.117 -0.352 0.000 1.085 618 I CA 1.888 62.936 61.300 -0.420 0.000 1.347 618 I CB -0.588 36.988 38.000 -0.708 0.000 1.044 618 I HN 0.402 nan 8.210 nan 0.000 0.408 619 H N 1.178 119.982 119.070 -0.443 0.000 2.387 619 H HA -0.165 4.391 4.556 -0.000 0.000 0.299 619 H C 2.134 177.317 175.328 -0.242 0.000 1.090 619 H CA 1.667 57.467 56.048 -0.413 0.000 1.332 619 H CB 0.164 29.576 29.762 -0.582 0.000 1.386 619 H HN 0.460 nan 8.280 nan 0.000 0.516 620 Q N 0.047 119.749 119.800 -0.164 0.000 2.124 620 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 620 Q C 1.717 177.584 176.000 -0.222 0.000 0.977 620 Q CA 1.382 57.094 55.803 -0.151 0.000 0.850 620 Q CB 0.123 28.836 28.738 -0.043 0.000 0.901 620 Q HN 0.486 nan 8.270 nan 0.000 0.429 621 D N -0.717 119.532 120.400 -0.252 0.000 2.310 621 D HA -0.026 4.614 4.640 -0.000 0.000 0.212 621 D C 0.899 176.895 176.300 -0.507 0.000 0.965 621 D CA 1.187 54.986 54.000 -0.334 0.000 0.879 621 D CB 0.091 40.662 40.800 -0.381 0.000 0.921 621 D HN 0.441 nan 8.370 nan 0.000 0.510 622 G N 0.709 109.196 108.800 -0.521 0.000 2.171 622 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.238 622 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.238 622 G C 0.204 174.656 174.900 -0.746 0.000 1.039 622 G CA -0.405 44.356 45.100 -0.564 0.000 0.759 622 G HN 0.190 nan 8.290 nan 0.000 0.501 623 I N 0.598 120.749 120.570 -0.698 0.000 2.683 623 I HA 0.127 4.297 4.170 -0.000 0.000 0.286 623 I C 1.567 177.320 176.117 -0.608 0.000 1.175 623 I CA 0.597 61.504 61.300 -0.656 0.000 1.429 623 I CB 0.241 37.936 38.000 -0.508 0.000 1.371 623 I HN 0.304 nan 8.210 nan 0.000 0.569 624 H N 5.675 124.528 119.070 -0.362 0.000 2.361 624 H HA 0.347 4.903 4.556 -0.000 0.000 0.308 624 H C 0.180 175.348 175.328 -0.267 0.000 1.053 624 H CA 0.501 56.351 56.048 -0.331 0.000 1.377 624 H CB 0.342 29.766 29.762 -0.563 0.000 1.434 624 H HN 0.405 nan 8.280 nan 0.000 0.548 625 I N 1.876 122.340 120.570 -0.176 0.000 2.355 625 I HA 0.158 4.328 4.170 -0.000 0.000 0.288 625 I C -1.275 174.692 176.117 -0.250 0.000 0.999 625 I CA -0.823 60.346 61.300 -0.217 0.000 1.163 625 I CB 2.185 39.976 38.000 -0.348 0.000 1.316 625 I HN 0.047 nan 8.210 nan 0.000 0.454 626 L N 8.552 129.689 121.223 -0.143 0.000 2.276 626 L HA 0.467 4.807 4.340 -0.000 0.000 0.286 626 L C -0.520 176.457 176.870 0.177 0.000 1.024 626 L CA -0.346 54.452 54.840 -0.071 0.000 0.826 626 L CB 1.420 43.373 42.059 -0.178 0.000 1.211 626 L HN 0.279 nan 8.230 nan 0.000 0.422 627 V N 4.998 124.993 119.914 0.134 0.000 2.383 627 V HA 0.359 4.479 4.120 -0.000 0.000 0.275 627 V C 0.137 176.463 176.094 0.386 0.000 1.036 627 V CA -0.717 61.724 62.300 0.234 0.000 0.889 627 V CB 1.251 33.168 31.823 0.157 0.000 0.985 627 V HN 0.752 nan 8.190 nan 0.000 0.459 628 N N 5.216 123.998 118.700 0.137 0.000 2.420 628 N HA 0.337 5.077 4.740 -0.000 0.000 0.249 628 N C 0.155 175.688 175.510 0.038 0.000 1.033 628 N CA -0.199 52.752 53.050 -0.165 0.000 0.944 628 N CB 1.246 39.181 38.487 -0.920 0.000 1.113 628 N HN 0.657 nan 8.380 nan 0.000 0.502 629 M N 2.465 122.127 119.600 0.103 0.000 2.419 629 M HA 0.196 4.676 4.480 -0.000 0.000 0.252 629 M C 0.351 176.624 176.300 -0.046 0.000 1.143 629 M CA 0.046 55.384 55.300 0.064 0.000 0.985 629 M CB 0.188 32.838 32.600 0.083 0.000 1.489 629 M HN 0.409 nan 8.290 nan 0.000 0.484 630 N N -0.352 118.294 118.700 -0.090 0.000 2.557 630 N HA 0.250 4.990 4.740 -0.000 0.000 0.217 630 N C 1.122 176.504 175.510 -0.213 0.000 1.062 630 N CA 0.840 53.820 53.050 -0.117 0.000 0.863 630 N CB 0.578 38.998 38.487 -0.112 0.000 1.390 630 N HN 0.317 nan 8.380 nan 0.000 0.445 631 G N 0.874 109.433 108.800 -0.402 0.000 2.634 631 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.309 631 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.309 631 G C -0.648 173.654 174.900 -0.996 0.000 1.265 631 G CA 0.628 45.184 45.100 -0.907 0.000 0.998 631 G HN 0.325 nan 8.290 nan 0.000 0.551 632 Y N 3.014 122.677 120.300 -1.062 0.000 2.827 632 Y HA 0.530 5.080 4.550 -0.000 0.000 0.373 632 Y C 1.329 177.177 175.900 -0.086 0.000 1.198 632 Y CA 0.111 57.947 58.100 -0.439 0.000 1.589 632 Y CB 0.036 38.252 38.460 -0.406 0.000 1.682 632 Y HN 0.762 nan 8.280 nan 0.000 0.506 633 T N -3.049 111.528 114.554 0.038 0.000 2.940 633 T HA 0.373 4.723 4.350 -0.000 0.000 0.288 633 T C -0.341 174.430 174.700 0.118 0.000 1.045 633 T CA -1.385 60.802 62.100 0.145 0.000 1.018 633 T CB 1.857 70.808 68.868 0.139 0.000 1.151 633 T HN 0.226 nan 8.240 nan 0.000 0.529 634 K N -0.011 120.466 120.400 0.129 0.000 2.511 634 K HA 0.299 4.619 4.320 -0.000 0.000 0.280 634 K C 1.335 177.969 176.600 0.057 0.000 1.008 634 K CA 1.343 57.689 56.287 0.098 0.000 1.050 634 K CB -0.584 31.981 32.500 0.108 0.000 0.889 634 K HN 1.131 nan 8.250 nan 0.000 0.484 635 G N 2.031 110.862 108.800 0.051 0.000 2.232 635 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.226 635 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.226 635 G C 0.156 175.067 174.900 0.019 0.000 0.996 635 G CA 0.007 45.122 45.100 0.025 0.000 0.626 635 G HN 0.960 nan 8.290 nan 0.000 0.509 636 A N 0.179 123.011 122.820 0.020 0.000 2.520 636 A HA 0.634 4.954 4.320 -0.000 0.000 0.235 636 A C 0.815 178.421 177.584 0.037 0.000 1.065 636 A CA 0.830 52.873 52.037 0.010 0.000 0.764 636 A CB 0.132 19.118 19.000 -0.023 0.000 1.002 636 A HN 0.557 nan 8.150 nan 0.000 0.502 637 R N 2.057 122.585 120.500 0.047 0.000 2.681 637 R HA 0.159 4.498 4.340 -0.000 0.000 0.277 637 R C -0.200 176.140 176.300 0.068 0.000 1.563 637 R CA -0.492 55.636 56.100 0.047 0.000 1.673 637 R CB 0.442 30.760 30.300 0.030 0.000 1.258 637 R HN 0.762 nan 8.270 nan 0.000 0.650 638 N N 1.146 119.877 118.700 0.052 0.000 2.520 638 N HA -0.140 4.600 4.740 -0.000 0.000 0.185 638 N C 0.716 176.155 175.510 -0.119 0.000 1.068 638 N CA 0.984 54.054 53.050 0.033 0.000 0.911 638 N CB 0.414 38.914 38.487 0.021 0.000 0.961 638 N HN 0.427 nan 8.380 nan 0.000 0.446 639 E N 0.937 121.084 120.200 -0.089 0.000 2.171 639 E HA -0.105 4.245 4.350 -0.000 0.000 0.197 639 E C 1.968 178.461 176.600 -0.179 0.000 0.997 639 E CA 0.573 56.888 56.400 -0.141 0.000 0.810 639 E CB -0.246 29.411 29.700 -0.072 0.000 0.738 639 E HN 0.363 nan 8.360 nan 0.000 0.467 640 L N -0.734 120.399 121.223 -0.150 0.000 2.012 640 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 640 L C 2.015 178.659 176.870 -0.376 0.000 1.073 640 L CA 1.188 55.868 54.840 -0.267 0.000 0.748 640 L CB -0.388 41.464 42.059 -0.345 0.000 0.891 640 L HN 0.149 nan 8.230 nan 0.000 0.431 641 F N -0.320 119.440 119.950 -0.317 0.000 2.259 641 F HA -0.063 4.464 4.527 -0.000 0.000 0.298 641 F C 2.580 178.105 175.800 -0.459 0.000 1.088 641 F CA 0.832 58.647 58.000 -0.309 0.000 1.358 641 F CB -0.575 38.310 39.000 -0.191 0.000 1.040 641 F HN -0.021 nan 8.300 nan 0.000 0.505 642 A N 0.164 122.563 122.820 -0.702 0.000 1.972 642 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 642 A C 2.067 179.554 177.584 -0.161 0.000 1.169 642 A CA 1.253 52.881 52.037 -0.683 0.000 0.635 642 A CB -1.054 17.543 19.000 -0.672 0.000 0.810 642 A HN 0.420 nan 8.150 nan 0.000 0.446 643 L N -1.258 119.890 121.223 -0.126 0.000 2.551 643 L HA -0.002 4.338 4.340 -0.000 0.000 0.228 643 L C 0.372 177.318 176.870 0.127 0.000 1.153 643 L CA 0.024 54.876 54.840 0.020 0.000 0.851 643 L CB -0.289 41.798 42.059 0.046 0.000 0.959 643 L HN 0.355 nan 8.230 nan 0.000 0.451 644 R N -0.788 119.739 120.500 0.045 0.000 3.127 644 R HA -0.159 4.181 4.340 -0.000 0.000 0.247 644 R C -1.877 174.500 176.300 0.129 0.000 0.896 644 R CA 0.285 56.445 56.100 0.100 0.000 0.624 644 R CB -1.277 29.146 30.300 0.206 0.000 1.154 644 R HN 0.284 nan 8.270 nan 0.000 0.474 645 P HA 0.018 nan 4.420 nan 0.000 0.241 645 P C 0.005 177.163 177.300 -0.237 0.000 1.191 645 P CA 1.023 63.838 63.100 -0.474 0.000 0.771 645 P CB 0.567 31.865 31.700 -0.669 0.000 0.929 646 A N 0.754 123.381 122.820 -0.322 0.000 2.413 646 A HA 0.614 4.934 4.320 -0.000 0.000 0.307 646 A C -2.062 175.019 177.584 -0.839 0.000 1.087 646 A CA -1.705 50.049 52.037 -0.472 0.000 0.750 646 A CB 1.126 19.917 19.000 -0.349 0.000 1.296 646 A HN -0.207 nan 8.150 nan 0.000 0.423 647 P HA 0.086 nan 4.420 nan 0.000 0.222 647 P C -0.012 177.015 177.300 -0.455 0.000 1.153 647 P CA 1.077 63.710 63.100 -0.778 0.000 0.798 647 P CB 0.223 31.519 31.700 -0.674 0.000 0.796 648 I N 0.103 120.506 120.570 -0.278 0.000 2.478 648 I HA 0.277 4.447 4.170 -0.000 0.000 0.287 648 I C -0.341 175.779 176.117 0.005 0.000 1.042 648 I CA -0.574 60.688 61.300 -0.064 0.000 1.067 648 I CB 2.201 40.219 38.000 0.030 0.000 1.233 648 I HN -0.241 nan 8.210 nan 0.000 0.431 649 Q N 5.424 125.282 119.800 0.096 0.000 2.310 649 Q HA 0.789 5.129 4.340 -0.000 0.000 0.270 649 Q C -0.977 175.134 176.000 0.184 0.000 1.025 649 Q CA -0.756 55.149 55.803 0.170 0.000 0.772 649 Q CB 3.051 31.950 28.738 0.268 0.000 1.253 649 Q HN 0.750 nan 8.270 nan 0.000 0.450 650 A N 3.485 126.410 122.820 0.176 0.000 2.365 650 A HA 0.726 5.046 4.320 -0.000 0.000 0.318 650 A C -0.515 177.150 177.584 0.135 0.000 1.091 650 A CA -0.765 51.382 52.037 0.183 0.000 0.763 650 A CB 1.080 20.206 19.000 0.209 0.000 1.248 650 A HN 0.634 nan 8.150 nan 0.000 0.442 651 M N 1.273 120.942 119.600 0.114 0.000 2.235 651 M HA 0.286 4.766 4.480 -0.000 0.000 0.351 651 M C -0.978 175.502 176.300 0.300 0.000 1.178 651 M CA 0.208 55.574 55.300 0.110 0.000 1.143 651 M CB 0.616 33.247 32.600 0.052 0.000 1.530 651 M HN 0.790 nan 8.290 nan 0.000 0.461 652 W N 4.796 126.152 121.300 0.093 0.000 3.405 652 W HA 0.382 5.042 4.660 -0.000 0.000 0.329 652 W C -0.198 176.435 176.519 0.190 0.000 1.142 652 W CA -0.630 56.820 57.345 0.175 0.000 1.235 652 W CB 0.799 30.413 29.460 0.258 0.000 1.341 652 W HN 0.634 nan 8.180 nan 0.000 0.481 653 L N 4.332 125.388 121.223 -0.278 0.000 4.749 653 L HA -0.302 4.038 4.340 -0.000 0.000 0.383 653 L C 1.562 178.282 176.870 -0.249 0.000 0.807 653 L CA 3.199 57.724 54.840 -0.524 0.000 2.464 653 L CB -1.685 39.423 42.059 -1.585 0.000 0.940 653 L HN 0.861 nan 8.230 nan 0.000 0.659 654 G N -2.673 106.022 108.800 -0.175 0.000 2.464 654 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.217 654 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.217 654 G C 0.179 175.135 174.900 0.093 0.000 1.138 654 G CA 0.896 45.964 45.100 -0.053 0.000 0.793 654 G HN 0.506 nan 8.290 nan 0.000 0.539 655 Y N 1.650 121.924 120.300 -0.043 0.000 2.326 655 Y HA 0.498 5.048 4.550 -0.000 0.000 0.329 655 Y C -2.295 173.611 175.900 0.009 0.000 0.973 655 Y CA -2.967 55.100 58.100 -0.055 0.000 1.162 655 Y CB 2.627 41.009 38.460 -0.130 0.000 1.147 655 Y HN -0.104 nan 8.280 nan 0.000 0.456 656 P HA 0.384 nan 4.420 nan 0.000 0.225 656 P C -0.272 176.813 177.300 -0.359 0.000 1.813 656 P CA 0.427 63.376 63.100 -0.251 0.000 1.013 656 P CB 0.141 31.790 31.700 -0.084 0.000 1.961 657 G N -0.772 107.859 108.800 -0.282 0.000 2.322 657 G HA2 0.294 4.254 3.960 -0.000 0.000 0.295 657 G HA3 0.294 4.254 3.960 -0.000 0.000 0.295 657 G C -1.592 173.511 174.900 0.339 0.000 1.369 657 G CA -0.459 44.639 45.100 -0.003 0.000 0.821 657 G HN 0.175 nan 8.290 nan 0.000 0.536 658 T N -1.107 113.672 114.554 0.375 0.000 2.922 658 T HA 0.491 4.841 4.350 -0.000 0.000 0.285 658 T C 1.864 176.753 174.700 0.315 0.000 1.005 658 T CA 0.763 63.066 62.100 0.338 0.000 1.061 658 T CB 1.057 70.093 68.868 0.279 0.000 1.007 658 T HN 1.437 nan 8.240 nan 0.000 0.502 659 S N 2.181 117.962 115.700 0.135 0.000 2.446 659 S HA 0.212 4.682 4.470 -0.000 0.000 0.225 659 S C 1.942 176.631 174.600 0.148 0.000 1.016 659 S CA 0.839 59.078 58.200 0.065 0.000 0.943 659 S CB -0.653 62.421 63.200 -0.210 0.000 0.786 659 S HN 1.718 nan 8.310 nan 0.000 0.508 660 G N 1.147 109.979 108.800 0.054 0.000 2.175 660 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.265 660 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.265 660 G C 0.198 175.042 174.900 -0.094 0.000 0.979 660 G CA 0.295 45.403 45.100 0.013 0.000 0.663 660 G HN 1.339 nan 8.290 nan 0.000 0.533 661 A N -0.671 121.997 122.820 -0.254 0.000 2.312 661 A HA 0.824 5.144 4.320 -0.000 0.000 0.328 661 A C 1.317 178.588 177.584 -0.521 0.000 1.158 661 A CA -0.187 51.526 52.037 -0.540 0.000 0.821 661 A CB 0.817 19.055 19.000 -1.270 0.000 1.170 661 A HN 0.539 nan 8.150 nan 0.000 0.490 662 L N 0.900 121.895 121.223 -0.380 0.000 2.275 662 L HA -0.108 4.232 4.340 -0.000 0.000 0.215 662 L C 1.754 178.554 176.870 -0.116 0.000 1.119 662 L CA 1.197 55.931 54.840 -0.178 0.000 0.790 662 L CB -0.564 41.465 42.059 -0.050 0.000 0.919 662 L HN 0.941 nan 8.230 nan 0.000 0.443 663 F N -2.161 117.808 119.950 0.031 0.000 2.802 663 F HA 0.182 4.709 4.527 -0.000 0.000 0.300 663 F C 0.801 176.624 175.800 0.038 0.000 1.168 663 F CA -0.387 57.641 58.000 0.048 0.000 1.433 663 F CB -0.542 38.505 39.000 0.078 0.000 1.115 663 F HN -0.041 nan 8.300 nan 0.000 0.582 664 M N 1.924 121.494 119.600 -0.050 0.000 2.114 664 M HA 0.266 4.746 4.480 -0.000 0.000 0.332 664 M C 0.404 176.664 176.300 -0.067 0.000 1.014 664 M CA -0.627 54.668 55.300 -0.009 0.000 0.956 664 M CB 0.791 33.323 32.600 -0.113 0.000 1.551 664 M HN 0.025 nan 8.290 nan 0.000 0.427 665 D N 3.169 123.545 120.400 -0.041 0.000 2.146 665 D HA -0.010 4.630 4.640 -0.000 0.000 0.209 665 D C -0.326 175.753 176.300 -0.368 0.000 0.973 665 D CA 1.509 55.385 54.000 -0.207 0.000 0.860 665 D CB 0.154 40.848 40.800 -0.177 0.000 1.015 665 D HN 0.463 nan 8.370 nan 0.000 0.465 666 Y N -0.295 119.991 120.300 -0.022 0.000 2.549 666 Y HA 0.507 5.057 4.550 -0.000 0.000 0.339 666 Y C -0.060 175.822 175.900 -0.030 0.000 1.053 666 Y CA -0.976 57.100 58.100 -0.040 0.000 1.105 666 Y CB 2.312 40.764 38.460 -0.014 0.000 1.258 666 Y HN -0.217 nan 8.280 nan 0.000 0.478 667 I N 2.958 123.596 120.570 0.113 0.000 2.436 667 I HA 0.459 4.629 4.170 -0.000 0.000 0.289 667 I C -1.287 174.853 176.117 0.039 0.000 1.010 667 I CA -0.694 60.629 61.300 0.038 0.000 1.098 667 I CB 0.787 38.729 38.000 -0.097 0.000 1.266 667 I HN 0.534 nan 8.210 nan 0.000 0.434 668 I N 7.682 128.320 120.570 0.113 0.000 2.322 668 I HA 0.234 4.404 4.170 -0.000 0.000 0.292 668 I C 0.320 176.464 176.117 0.046 0.000 1.060 668 I CA 0.319 61.714 61.300 0.158 0.000 1.309 668 I CB 0.919 39.103 38.000 0.307 0.000 1.415 668 I HN 0.636 nan 8.210 nan 0.000 0.492 669 T N 3.999 118.560 114.554 0.012 0.000 2.598 669 T HA 0.480 4.830 4.350 -0.000 0.000 0.289 669 T C -1.661 173.105 174.700 0.110 0.000 1.056 669 T CA -0.491 61.507 62.100 -0.170 0.000 1.088 669 T CB 1.735 70.386 68.868 -0.362 0.000 1.519 669 T HN 0.714 nan 8.240 nan 0.000 0.488 670 D N -0.886 119.514 120.400 -0.000 0.000 2.636 670 D HA 0.357 4.997 4.640 -0.000 0.000 0.275 670 D C 0.735 176.590 176.300 -0.742 0.000 1.130 670 D CA -0.688 53.155 54.000 -0.261 0.000 1.031 670 D CB 0.917 41.713 40.800 -0.006 0.000 1.451 670 D HN 0.511 nan 8.370 nan 0.000 0.505 671 Q N -0.960 118.258 119.800 -0.970 0.000 2.230 671 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 671 Q C 1.052 176.900 176.000 -0.253 0.000 0.963 671 Q CA 1.028 56.346 55.803 -0.807 0.000 0.866 671 Q CB 0.186 28.617 28.738 -0.511 0.000 0.931 671 Q HN 0.448 nan 8.270 nan 0.000 0.452 672 E N -0.302 119.810 120.200 -0.146 0.000 2.107 672 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 672 E C 1.889 178.503 176.600 0.024 0.000 0.982 672 E CA 1.439 57.823 56.400 -0.025 0.000 0.809 672 E CB -0.149 29.558 29.700 0.012 0.000 0.756 672 E HN 0.312 nan 8.360 nan 0.000 0.459 673 T N 0.635 115.214 114.554 0.042 0.000 2.896 673 T HA 0.029 4.379 4.350 -0.000 0.000 0.263 673 T C 0.882 175.642 174.700 0.100 0.000 1.050 673 T CA 0.704 62.867 62.100 0.105 0.000 1.140 673 T CB 0.140 69.120 68.868 0.187 0.000 0.877 673 T HN -0.071 nan 8.240 nan 0.000 0.457 674 S N 2.341 118.080 115.700 0.066 0.000 2.158 674 S HA 0.325 4.795 4.470 -0.000 0.000 0.160 674 S C -2.730 171.991 174.600 0.201 0.000 1.693 674 S CA -1.108 57.198 58.200 0.177 0.000 1.251 674 S CB 1.331 64.595 63.200 0.107 0.000 1.153 674 S HN 0.249 nan 8.310 nan 0.000 0.439 675 P HA 0.175 nan 4.420 nan 0.000 0.271 675 P C 0.676 178.076 177.300 0.167 0.000 1.233 675 P CA -0.236 62.952 63.100 0.146 0.000 0.789 675 P CB 0.709 32.457 31.700 0.079 0.000 0.951 676 A N 1.598 124.501 122.820 0.138 0.000 2.067 676 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 676 A C 1.749 179.346 177.584 0.022 0.000 1.158 676 A CA 1.073 53.142 52.037 0.053 0.000 0.661 676 A CB -0.970 18.024 19.000 -0.010 0.000 0.801 676 A HN 0.675 nan 8.150 nan 0.000 0.452 677 E N 0.418 120.637 120.200 0.030 0.000 2.418 677 E HA -0.065 4.285 4.350 -0.000 0.000 0.197 677 E C 0.941 177.534 176.600 -0.011 0.000 1.026 677 E CA 1.465 57.870 56.400 0.009 0.000 0.862 677 E CB -0.497 29.212 29.700 0.015 0.000 0.799 677 E HN 0.669 nan 8.360 nan 0.000 0.518 678 V N -3.056 116.851 119.914 -0.011 0.000 3.070 678 V HA 0.573 4.693 4.120 -0.000 0.000 0.345 678 V C 1.701 177.753 176.094 -0.069 0.000 1.403 678 V CA 0.054 62.288 62.300 -0.110 0.000 1.155 678 V CB 0.328 32.049 31.823 -0.171 0.000 1.140 678 V HN 0.156 nan 8.190 nan 0.000 0.505 679 A N 1.453 124.302 122.820 0.047 0.000 2.172 679 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 679 A C 1.841 179.492 177.584 0.111 0.000 1.154 679 A CA 1.576 53.716 52.037 0.171 0.000 0.701 679 A CB -0.264 18.795 19.000 0.098 0.000 0.789 679 A HN 0.802 nan 8.150 nan 0.000 0.465 680 E N 0.488 120.679 120.200 -0.015 0.000 2.482 680 E HA -0.167 4.183 4.350 -0.000 0.000 0.196 680 E C 1.686 178.241 176.600 -0.075 0.000 1.047 680 E CA 0.928 57.317 56.400 -0.019 0.000 0.869 680 E CB -0.406 29.284 29.700 -0.016 0.000 0.836 680 E HN 0.924 nan 8.360 nan 0.000 0.520 681 Q N 0.029 119.679 119.800 -0.250 0.000 2.424 681 Q HA 0.008 4.348 4.340 -0.000 0.000 0.204 681 Q C -0.304 175.467 176.000 -0.382 0.000 0.933 681 Q CA 0.230 55.818 55.803 -0.357 0.000 0.929 681 Q CB -0.077 28.284 28.738 -0.628 0.000 1.037 681 Q HN 0.362 nan 8.270 nan 0.000 0.511 682 Y N 1.000 121.313 120.300 0.021 0.000 2.360 682 Y HA 0.231 4.781 4.550 -0.000 0.000 0.337 682 Y C 1.314 177.225 175.900 0.018 0.000 1.039 682 Y CA -0.430 57.688 58.100 0.029 0.000 1.109 682 Y CB 1.940 40.419 38.460 0.031 0.000 1.201 682 Y HN 0.104 nan 8.280 nan 0.000 0.458 683 S N -0.191 115.600 115.700 0.151 0.000 2.478 683 S HA 0.061 4.531 4.470 -0.000 0.000 0.222 683 S C 0.146 174.749 174.600 0.005 0.000 1.008 683 S CA 0.043 58.274 58.200 0.053 0.000 0.928 683 S CB -0.149 63.056 63.200 0.008 0.000 0.781 683 S HN 0.686 nan 8.310 nan 0.000 0.518 684 E N 1.624 121.834 120.200 0.018 0.000 2.322 684 E HA 0.440 4.790 4.350 -0.000 0.000 0.257 684 E C -0.335 176.186 176.600 -0.131 0.000 1.155 684 E CA -0.571 55.780 56.400 -0.081 0.000 0.936 684 E CB 0.408 30.071 29.700 -0.061 0.000 1.130 684 E HN 0.041 nan 8.360 nan 0.000 0.465 685 K N 1.057 121.281 120.400 -0.292 0.000 2.234 685 K HA 0.288 4.608 4.320 -0.000 0.000 0.282 685 K C -0.161 176.336 176.600 -0.171 0.000 1.039 685 K CA -0.296 55.712 56.287 -0.466 0.000 0.928 685 K CB 0.555 32.666 32.500 -0.648 0.000 1.039 685 K HN 0.441 nan 8.250 nan 0.000 0.470 686 L N 1.846 123.030 121.223 -0.065 0.000 2.499 686 L HA 0.057 4.397 4.340 -0.000 0.000 0.273 686 L C 0.473 177.340 176.870 -0.005 0.000 1.195 686 L CA -0.089 54.749 54.840 -0.004 0.000 0.882 686 L CB 0.334 42.387 42.059 -0.010 0.000 1.133 686 L HN 0.604 nan 8.230 nan 0.000 0.483 687 A N 4.412 127.255 122.820 0.039 0.000 2.409 687 A HA 0.506 4.826 4.320 -0.000 0.000 0.300 687 A C -0.910 176.755 177.584 0.134 0.000 1.273 687 A CA -0.529 51.520 52.037 0.020 0.000 0.774 687 A CB 0.251 19.236 19.000 -0.025 0.000 1.144 687 A HN 0.448 nan 8.150 nan 0.000 0.472 688 Y N 2.241 122.534 120.300 -0.013 0.000 2.359 688 Y HA 0.306 4.856 4.550 -0.000 0.000 0.330 688 Y C 0.869 176.754 175.900 -0.025 0.000 1.143 688 Y CA -0.913 57.182 58.100 -0.008 0.000 1.318 688 Y CB 0.631 39.088 38.460 -0.006 0.000 1.234 688 Y HN 0.497 nan 8.280 nan 0.000 0.522 689 M N 4.979 124.667 119.600 0.148 0.000 2.359 689 M HA 0.225 4.705 4.480 -0.000 0.000 0.322 689 M C -1.310 174.984 176.300 -0.009 0.000 1.166 689 M CA -2.071 53.251 55.300 0.037 0.000 1.067 689 M CB 0.798 33.436 32.600 0.064 0.000 1.523 689 M HN 0.270 nan 8.290 nan 0.000 0.467 690 P HA -0.080 nan 4.420 nan 0.000 0.217 690 P C 0.361 177.428 177.300 -0.389 0.000 1.150 690 P CA 1.778 64.732 63.100 -0.244 0.000 0.832 690 P CB 0.279 31.796 31.700 -0.305 0.000 0.787 691 H N -3.366 115.716 119.070 0.021 0.000 2.772 691 H HA 0.285 4.841 4.556 -0.000 0.000 0.222 691 H C 0.284 175.643 175.328 0.052 0.000 1.135 691 H CA 0.435 56.501 56.048 0.029 0.000 1.513 691 H CB -0.302 29.484 29.762 0.040 0.000 1.377 691 H HN -0.150 nan 8.280 nan 0.000 0.524 692 T N 0.128 114.837 114.554 0.258 0.000 2.893 692 T HA 0.207 4.557 4.350 -0.000 0.000 0.291 692 T C 0.229 175.129 174.700 0.333 0.000 1.028 692 T CA -0.781 61.457 62.100 0.230 0.000 0.995 692 T CB 0.674 69.619 68.868 0.127 0.000 1.051 692 T HN 0.341 nan 8.240 nan 0.000 0.470 693 F N 3.331 123.440 119.950 0.265 0.000 2.558 693 F HA 0.431 4.958 4.527 -0.000 0.000 0.298 693 F C 0.114 176.161 175.800 0.412 0.000 1.119 693 F CA -0.567 57.660 58.000 0.377 0.000 1.451 693 F CB -0.247 38.926 39.000 0.288 0.000 1.091 693 F HN 0.385 nan 8.300 nan 0.000 0.563 694 F N 1.684 121.208 119.950 -0.711 0.000 2.382 694 F HA 0.511 5.038 4.527 -0.000 0.000 0.331 694 F C -0.191 175.336 175.800 -0.454 0.000 1.121 694 F CA -0.683 56.866 58.000 -0.753 0.000 1.183 694 F CB 1.130 39.679 39.000 -0.753 0.000 1.207 694 F HN -0.052 nan 8.300 nan 0.000 0.555 695 I N 2.149 122.328 120.570 -0.651 0.000 2.908 695 I HA 0.663 4.833 4.170 -0.000 0.000 0.300 695 I C -1.037 174.857 176.117 -0.371 0.000 1.385 695 I CA -0.240 60.718 61.300 -0.571 0.000 1.004 695 I CB 2.158 39.540 38.000 -1.031 0.000 1.309 695 I HN 0.539 nan 8.210 nan 0.000 0.449 696 G N 2.809 111.512 108.800 -0.162 0.000 2.563 696 G HA2 0.414 4.374 3.960 -0.000 0.000 0.302 696 G HA3 0.414 4.374 3.960 -0.000 0.000 0.302 696 G C -1.078 173.898 174.900 0.127 0.000 1.301 696 G CA -0.377 44.811 45.100 0.146 0.000 0.965 696 G HN 0.583 nan 8.290 nan 0.000 0.480 697 D N -0.977 119.431 120.400 0.013 0.000 2.395 697 D HA 0.134 4.774 4.640 -0.000 0.000 0.226 697 D C 1.355 177.490 176.300 -0.275 0.000 1.146 697 D CA -0.095 53.835 54.000 -0.117 0.000 0.830 697 D CB 0.104 40.827 40.800 -0.130 0.000 0.958 697 D HN 0.446 nan 8.370 nan 0.000 0.501 698 H N -0.366 118.496 119.070 -0.346 0.000 2.387 698 H HA 0.006 4.562 4.556 -0.000 0.000 0.299 698 H C 2.137 176.817 175.328 -1.080 0.000 1.090 698 H CA 1.536 57.112 56.048 -0.787 0.000 1.332 698 H CB -0.155 28.872 29.762 -1.226 0.000 1.386 698 H HN 0.231 nan 8.280 nan 0.000 0.516 699 A N 0.737 123.063 122.820 -0.824 0.000 1.948 699 A HA -0.285 4.035 4.320 -0.000 0.000 0.220 699 A C 2.265 179.756 177.584 -0.155 0.000 1.177 699 A CA 2.162 53.950 52.037 -0.417 0.000 0.636 699 A CB -0.466 18.463 19.000 -0.119 0.000 0.815 699 A HN 0.482 nan 8.150 nan 0.000 0.449 700 N N -0.881 117.695 118.700 -0.208 0.000 2.278 700 N HA 0.021 4.761 4.740 -0.000 0.000 0.181 700 N C 1.721 177.094 175.510 -0.228 0.000 1.023 700 N CA 1.697 54.654 53.050 -0.154 0.000 0.862 700 N CB -0.337 38.072 38.487 -0.131 0.000 1.003 700 N HN 0.461 nan 8.380 nan 0.000 0.431 701 M N -0.950 118.376 119.600 -0.456 0.000 2.132 701 M HA 0.003 4.483 4.480 -0.000 0.000 0.263 701 M C -0.156 175.740 176.300 -0.673 0.000 1.065 701 M CA 1.167 56.019 55.300 -0.746 0.000 1.122 701 M CB 0.006 31.804 32.600 -1.337 0.000 1.365 701 M HN 0.025 nan 8.290 nan 0.000 0.411 702 F N -0.438 119.551 119.950 0.064 0.000 2.627 702 F HA 0.327 4.854 4.527 -0.000 0.000 0.329 702 F C -1.797 174.260 175.800 0.428 0.000 1.378 702 F CA -2.541 55.657 58.000 0.330 0.000 1.134 702 F CB -0.533 38.635 39.000 0.281 0.000 1.229 702 F HN -0.052 nan 8.300 nan 0.000 0.537 703 P HA -0.165 nan 4.420 nan 0.000 0.233 703 P C 1.217 178.718 177.300 0.335 0.000 1.167 703 P CA 1.379 64.692 63.100 0.354 0.000 0.770 703 P CB -0.189 31.631 31.700 0.200 0.000 0.837 704 H N -0.803 118.391 119.070 0.207 0.000 2.556 704 H HA 0.150 4.706 4.556 -0.000 0.000 0.268 704 H C 1.184 176.597 175.328 0.142 0.000 0.996 704 H CA 0.167 56.305 56.048 0.150 0.000 1.157 704 H CB -0.991 28.851 29.762 0.134 0.000 1.355 704 H HN 0.194 nan 8.280 nan 0.000 0.597 705 L N 0.126 121.264 121.223 -0.142 0.000 2.769 705 L HA 0.205 4.545 4.340 -0.000 0.000 0.240 705 L C 2.174 178.853 176.870 -0.318 0.000 1.163 705 L CA -0.063 54.650 54.840 -0.212 0.000 0.962 705 L CB 0.237 42.161 42.059 -0.224 0.000 1.258 705 L HN 0.067 nan 8.230 nan 0.000 0.513 706 K N 0.875 121.150 120.400 -0.208 0.000 2.155 706 K HA 0.003 4.323 4.320 -0.000 0.000 0.203 706 K C 0.321 176.744 176.600 -0.295 0.000 1.052 706 K CA 1.017 57.074 56.287 -0.385 0.000 0.948 706 K CB 0.434 32.856 32.500 -0.130 0.000 0.728 706 K HN 0.156 nan 8.250 nan 0.000 0.448 707 K N 0.124 120.517 120.400 -0.012 0.000 2.395 707 K HA 0.265 4.585 4.320 -0.000 0.000 0.247 707 K C -1.268 175.472 176.600 0.233 0.000 0.973 707 K CA -0.952 55.452 56.287 0.194 0.000 0.828 707 K CB 2.193 34.764 32.500 0.118 0.000 1.272 707 K HN -0.059 nan 8.250 nan 0.000 0.439 708 K N -0.612 119.928 120.400 0.233 0.000 2.522 708 K HA 0.840 5.160 4.320 -0.000 0.000 0.275 708 K C -1.687 174.924 176.600 0.018 0.000 1.006 708 K CA -1.088 55.255 56.287 0.093 0.000 0.890 708 K CB 2.106 34.627 32.500 0.035 0.000 1.475 708 K HN 0.561 nan 8.250 nan 0.000 0.441 709 A N 0.419 123.244 122.820 0.008 0.000 2.566 709 A HA 0.790 5.110 4.320 -0.000 0.000 0.292 709 A C -1.114 176.471 177.584 0.002 0.000 1.112 709 A CA -0.371 51.665 52.037 -0.001 0.000 0.707 709 A CB 1.749 20.768 19.000 0.031 0.000 1.302 709 A HN 1.097 nan 8.150 nan 0.000 0.409 710 V N -1.427 118.491 119.914 0.006 0.000 3.078 710 V HA 0.795 4.915 4.120 -0.000 0.000 0.311 710 V C -0.729 175.401 176.094 0.059 0.000 1.138 710 V CA -0.813 61.507 62.300 0.033 0.000 1.007 710 V CB 1.569 33.409 31.823 0.028 0.000 1.045 710 V HN 0.789 nan 8.190 nan 0.000 0.432 711 I N 2.010 122.638 120.570 0.097 0.000 2.437 711 I HA 0.469 4.638 4.170 -0.000 0.000 0.298 711 I C -0.741 175.515 176.117 0.231 0.000 0.984 711 I CA -0.121 61.251 61.300 0.120 0.000 1.214 711 I CB 1.699 39.751 38.000 0.088 0.000 1.365 711 I HN 0.785 nan 8.210 nan 0.000 0.469 712 D N 6.256 126.766 120.400 0.185 0.000 2.233 712 D HA 0.366 5.006 4.640 -0.000 0.000 0.240 712 D C -1.101 175.358 176.300 0.264 0.000 1.074 712 D CA -0.263 53.839 54.000 0.170 0.000 0.838 712 D CB 0.720 41.533 40.800 0.022 0.000 1.124 712 D HN 0.243 nan 8.370 nan 0.000 0.475 713 F N 1.339 121.296 119.950 0.013 0.000 2.564 713 F HA 0.522 5.049 4.527 -0.000 0.000 0.361 713 F C 0.233 176.041 175.800 0.013 0.000 1.161 713 F CA -1.276 56.734 58.000 0.016 0.000 1.198 713 F CB -0.123 38.894 39.000 0.028 0.000 1.424 713 F HN -0.071 nan 8.300 nan 0.000 0.517 720 Y N 4.136 124.355 120.300 -0.136 0.000 2.326 720 Y HA 0.179 4.729 4.550 -0.000 0.000 0.333 720 Y C 1.429 177.281 175.900 -0.079 0.000 1.240 720 Y CA -0.339 57.703 58.100 -0.097 0.000 1.365 720 Y CB 0.582 39.006 38.460 -0.061 0.000 1.289 720 Y HN 0.569 nan 8.280 nan 0.000 0.548 721 D N -0.568 119.872 120.400 0.067 0.000 2.363 721 D HA -0.007 4.633 4.640 -0.000 0.000 0.214 721 D C -0.129 176.139 176.300 -0.052 0.000 1.093 721 D CA 0.088 54.055 54.000 -0.055 0.000 0.837 721 D CB -0.315 40.386 40.800 -0.166 0.000 0.948 721 D HN 0.628 nan 8.370 nan 0.000 0.507 722 N N 0.046 118.756 118.700 0.016 0.000 2.423 722 N HA 0.059 4.799 4.740 -0.000 0.000 0.262 722 N C 0.558 176.062 175.510 -0.010 0.000 1.467 722 N CA -0.362 52.679 53.050 -0.016 0.000 0.847 722 N CB 0.218 38.675 38.487 -0.051 0.000 1.394 722 N HN -0.132 nan 8.380 nan 0.000 0.495 723 R N 0.296 120.831 120.500 0.059 0.000 2.140 723 R HA 0.464 4.804 4.340 -0.000 0.000 0.200 723 R C 0.173 176.482 176.300 0.015 0.000 1.069 723 R CA 0.519 56.651 56.100 0.053 0.000 1.088 723 R CB 0.844 31.309 30.300 0.275 0.000 1.012 723 R HN 0.233 nan 8.270 nan 0.000 0.500 724 I N 1.544 122.153 120.570 0.064 0.000 2.500 724 I HA 0.293 4.463 4.170 -0.000 0.000 0.286 724 I C -1.061 175.076 176.117 0.034 0.000 1.063 724 I CA -0.788 60.512 61.300 0.000 0.000 1.062 724 I CB 2.705 40.663 38.000 -0.069 0.000 1.223 724 I HN -0.329 nan 8.210 nan 0.000 0.435 725 V N 6.788 126.715 119.914 0.022 0.000 2.656 725 V HA 0.522 4.642 4.120 -0.000 0.000 0.307 725 V C -0.267 175.844 176.094 0.028 0.000 1.051 725 V CA -0.594 61.718 62.300 0.021 0.000 0.893 725 V CB 2.564 34.395 31.823 0.014 0.000 0.999 725 V HN 0.462 nan 8.190 nan 0.000 0.426 726 L N 4.024 125.267 121.223 0.034 0.000 2.346 726 L HA 0.635 4.975 4.340 -0.000 0.000 0.276 726 L C -0.612 176.289 176.870 0.052 0.000 1.006 726 L CA -0.479 54.387 54.840 0.044 0.000 0.817 726 L CB 2.078 44.176 42.059 0.065 0.000 1.272 726 L HN 0.705 nan 8.230 nan 0.000 0.421 727 N N 0.700 119.439 118.700 0.064 0.000 2.405 727 N HA 0.886 5.626 4.740 -0.000 0.000 0.285 727 N C -0.741 174.843 175.510 0.124 0.000 1.262 727 N CA -0.652 52.452 53.050 0.090 0.000 0.773 727 N CB 2.476 41.006 38.487 0.071 0.000 1.490 727 N HN 0.778 nan 8.380 nan 0.000 0.486 728 G N -0.171 108.726 108.800 0.161 0.000 2.351 728 G HA2 0.097 4.057 3.960 -0.000 0.000 0.296 728 G HA3 0.097 4.057 3.960 -0.000 0.000 0.296 728 G C -0.107 174.876 174.900 0.139 0.000 1.685 728 G CA -0.736 44.455 45.100 0.152 0.000 0.936 728 G HN 0.379 nan 8.290 nan 0.000 0.714 729 I N 0.392 121.041 120.570 0.133 0.000 2.423 729 I HA -0.046 4.124 4.170 -0.000 0.000 0.254 729 I C 1.248 177.423 176.117 0.096 0.000 1.151 729 I CA 1.365 62.732 61.300 0.111 0.000 1.421 729 I CB -0.262 37.789 38.000 0.084 0.000 1.079 729 I HN 0.519 nan 8.210 nan 0.000 0.431 730 D N 0.045 120.504 120.400 0.098 0.000 2.463 730 D HA 0.045 4.685 4.640 -0.000 0.000 0.224 730 D C 1.904 178.243 176.300 0.064 0.000 1.174 730 D CA -0.182 53.886 54.000 0.114 0.000 0.829 730 D CB 0.751 41.668 40.800 0.195 0.000 0.993 730 D HN 0.118 nan 8.370 nan 0.000 0.497 731 L N 1.632 122.891 121.223 0.060 0.000 2.042 731 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 731 L C 2.157 179.045 176.870 0.029 0.000 1.076 731 L CA 1.887 56.763 54.840 0.059 0.000 0.749 731 L CB -0.396 41.709 42.059 0.077 0.000 0.893 731 L HN -0.120 nan 8.230 nan 0.000 0.432 732 K N -0.950 119.464 120.400 0.024 0.000 2.063 732 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 732 K C 1.954 178.533 176.600 -0.035 0.000 1.048 732 K CA 1.392 57.679 56.287 0.001 0.000 0.928 732 K CB -0.182 32.332 32.500 0.023 0.000 0.713 732 K HN 0.455 nan 8.250 nan 0.000 0.442 733 A N 0.881 123.692 122.820 -0.015 0.000 1.877 733 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 733 A C 2.016 179.429 177.584 -0.285 0.000 1.186 733 A CA 1.402 53.443 52.037 0.008 0.000 0.620 733 A CB -0.870 18.275 19.000 0.242 0.000 0.822 733 A HN 0.536 nan 8.150 nan 0.000 0.443 734 F N 0.657 120.039 119.950 -0.947 0.000 2.069 734 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 734 F C 1.963 177.465 175.800 -0.496 0.000 1.113 734 F CA 1.958 59.158 58.000 -1.334 0.000 1.214 734 F CB -0.216 38.164 39.000 -1.034 0.000 0.978 734 F HN 0.158 nan 8.300 nan 0.000 0.474 735 L N 0.254 121.184 121.223 -0.489 0.000 2.042 735 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 735 L C 1.883 178.567 176.870 -0.310 0.000 1.076 735 L CA 1.533 56.114 54.840 -0.432 0.000 0.749 735 L CB -0.863 41.082 42.059 -0.189 0.000 0.893 735 L HN 0.143 nan 8.230 nan 0.000 0.432 736 D N -0.754 119.529 120.400 -0.195 0.000 2.351 736 D HA -0.118 4.522 4.640 -0.000 0.000 0.216 736 D C 2.180 178.428 176.300 -0.087 0.000 0.968 736 D CA 1.304 55.242 54.000 -0.103 0.000 0.899 736 D CB 0.030 40.808 40.800 -0.036 0.000 0.907 736 D HN 0.368 nan 8.370 nan 0.000 0.514 737 S N -0.784 114.833 115.700 -0.139 0.000 2.548 737 S HA 0.085 4.555 4.470 -0.000 0.000 0.215 737 S C 0.830 175.355 174.600 -0.124 0.000 0.976 737 S CA -0.375 57.796 58.200 -0.049 0.000 0.908 737 S CB 0.069 63.344 63.200 0.126 0.000 0.781 737 S HN 0.059 nan 8.310 nan 0.000 0.519 738 L N 2.265 123.347 121.223 -0.236 0.000 2.357 738 L HA 0.365 4.705 4.340 -0.000 0.000 0.273 738 L C -0.921 175.877 176.870 -0.120 0.000 1.080 738 L CA -1.995 52.720 54.840 -0.208 0.000 0.803 738 L CB 0.768 42.645 42.059 -0.303 0.000 1.174 738 L HN 0.055 nan 8.230 nan 0.000 0.443 739 P HA -0.068 nan 4.420 nan 0.000 0.213 739 P C -0.211 177.055 177.300 -0.055 0.000 1.170 739 P CA 1.072 64.139 63.100 -0.055 0.000 0.889 739 P CB 0.317 31.994 31.700 -0.039 0.000 0.782 740 D N 0.284 120.650 120.400 -0.058 0.000 2.458 740 D HA 0.307 4.947 4.640 -0.000 0.000 0.258 740 D C -0.767 175.498 176.300 -0.059 0.000 1.134 740 D CA -0.294 53.676 54.000 -0.050 0.000 0.915 740 D CB 1.466 42.244 40.800 -0.037 0.000 1.028 740 D HN -0.138 nan 8.370 nan 0.000 0.508 741 V N 2.276 122.150 119.914 -0.066 0.000 2.398 741 V HA 0.238 4.358 4.120 -0.000 0.000 0.286 741 V C 0.473 176.536 176.094 -0.053 0.000 1.026 741 V CA -0.829 61.430 62.300 -0.068 0.000 0.868 741 V CB 2.197 33.966 31.823 -0.090 0.000 0.982 741 V HN 0.183 nan 8.190 nan 0.000 0.443 742 K N 5.289 125.660 120.400 -0.048 0.000 2.201 742 K HA 0.462 4.782 4.320 -0.000 0.000 0.278 742 K C -0.911 175.662 176.600 -0.045 0.000 1.027 742 K CA -0.603 55.657 56.287 -0.045 0.000 0.909 742 K CB 0.851 33.324 32.500 -0.046 0.000 1.062 742 K HN 0.515 nan 8.250 nan 0.000 0.465 743 I N 5.545 126.090 120.570 -0.041 0.000 2.306 743 I HA 0.132 4.302 4.170 -0.000 0.000 0.288 743 I C -0.060 176.031 176.117 -0.043 0.000 1.036 743 I CA -0.731 60.545 61.300 -0.039 0.000 1.221 743 I CB 1.216 39.197 38.000 -0.031 0.000 1.385 743 I HN 0.335 nan 8.210 nan 0.000 0.472 744 V N 7.485 127.368 119.914 -0.052 0.000 2.530 744 V HA 0.179 4.299 4.120 -0.000 0.000 0.282 744 V C 0.639 176.701 176.094 -0.054 0.000 1.048 744 V CA -0.655 61.609 62.300 -0.060 0.000 0.997 744 V CB 1.191 32.967 31.823 -0.078 0.000 0.987 744 V HN 0.522 nan 8.190 nan 0.000 0.477 745 K N 5.851 126.223 120.400 -0.047 0.000 2.234 745 K HA 0.472 4.792 4.320 -0.000 0.000 0.282 745 K C -0.456 176.118 176.600 -0.043 0.000 1.039 745 K CA -0.060 56.206 56.287 -0.036 0.000 0.928 745 K CB 1.158 33.642 32.500 -0.027 0.000 1.039 745 K HN 0.582 nan 8.250 nan 0.000 0.470 746 M N 3.638 123.219 119.600 -0.032 0.000 2.061 746 M HA 0.199 4.679 4.480 -0.000 0.000 0.346 746 M C 0.239 176.534 176.300 -0.009 0.000 1.112 746 M CA -0.522 54.760 55.300 -0.031 0.000 1.021 746 M CB 0.741 33.327 32.600 -0.022 0.000 1.530 746 M HN 0.294 nan 8.290 nan 0.000 0.437 747 K N 2.537 122.928 120.400 -0.014 0.000 2.201 747 K HA 0.565 4.885 4.320 -0.000 0.000 0.278 747 K C -0.023 176.577 176.600 0.001 0.000 1.027 747 K CA -0.674 55.610 56.287 -0.005 0.000 0.909 747 K CB 1.558 34.052 32.500 -0.010 0.000 1.062 747 K HN 0.843 nan 8.250 nan 0.000 0.465 762 L N 2.323 123.573 121.223 0.044 0.000 2.365 762 L HA 0.612 4.952 4.340 -0.000 0.000 0.273 762 L C -0.794 176.108 176.870 0.052 0.000 1.000 762 L CA -0.703 54.182 54.840 0.077 0.000 0.819 762 L CB 1.971 44.107 42.059 0.128 0.000 1.284 762 L HN 0.610 nan 8.230 nan 0.000 0.418 763 N N 3.843 122.575 118.700 0.053 0.000 2.825 763 N HA 0.369 5.109 4.740 -0.000 0.000 0.253 763 N C -1.545 173.954 175.510 -0.017 0.000 1.426 763 N CA -0.837 52.215 53.050 0.004 0.000 0.851 763 N CB 2.571 41.056 38.487 -0.002 0.000 1.470 763 N HN 0.531 nan 8.380 nan 0.000 0.517 764 M N 0.900 120.462 119.600 -0.063 0.000 1.999 764 M HA 0.364 4.844 4.480 -0.000 0.000 0.299 764 M C -2.880 173.381 176.300 -0.065 0.000 0.900 764 M CA -1.551 53.694 55.300 -0.092 0.000 0.904 764 M CB 1.516 34.013 32.600 -0.171 0.000 1.477 764 M HN 0.280 nan 8.290 nan 0.000 0.403 765 P HA 0.081 nan 4.420 nan 0.000 0.265 765 P C -1.204 176.074 177.300 -0.037 0.000 1.193 765 P CA -0.165 62.913 63.100 -0.037 0.000 0.765 765 P CB 0.687 32.371 31.700 -0.027 0.000 0.823 766 V N 5.465 125.356 119.914 -0.038 0.000 2.407 766 V HA 0.311 4.431 4.120 -0.000 0.000 0.291 766 V C 0.344 176.423 176.094 -0.024 0.000 1.018 766 V CA -0.540 61.744 62.300 -0.027 0.000 0.842 766 V CB 1.212 33.012 31.823 -0.039 0.000 0.996 766 V HN 0.403 nan 8.190 nan 0.000 0.426 767 I N 8.343 128.909 120.570 -0.006 0.000 2.416 767 I HA 0.287 4.457 4.170 -0.000 0.000 0.288 767 I C -1.836 174.287 176.117 0.011 0.000 1.051 767 I CA -1.493 59.801 61.300 -0.009 0.000 1.375 767 I CB 1.521 39.526 38.000 0.008 0.000 1.407 767 I HN 0.408 nan 8.210 nan 0.000 0.516 768 P HA 0.085 nan 4.420 nan 0.000 0.276 768 P C -0.464 176.852 177.300 0.027 0.000 1.261 768 P CA -0.737 62.368 63.100 0.009 0.000 0.800 768 P CB 0.768 32.462 31.700 -0.010 0.000 1.066 769 M N 2.491 122.114 119.600 0.039 0.000 3.596 769 M HA 0.064 4.544 4.480 -0.000 0.000 0.212 769 M C 0.027 176.344 176.300 0.028 0.000 1.519 769 M CA -0.242 55.087 55.300 0.049 0.000 1.670 769 M CB -2.191 30.451 32.600 0.070 0.000 1.113 769 M HN 0.191 nan 8.290 nan 0.000 0.565 770 N N -0.441 118.271 118.700 0.020 0.000 2.443 770 N HA 0.280 5.020 4.740 -0.000 0.000 0.294 770 N C 0.586 176.107 175.510 0.018 0.000 1.289 770 N CA -0.300 52.758 53.050 0.013 0.000 0.966 770 N CB -0.602 37.886 38.487 0.003 0.000 1.122 770 N HN 0.287 nan 8.380 nan 0.000 0.569 771 T N -0.328 114.236 114.554 0.016 0.000 2.881 771 T HA 0.050 4.400 4.350 -0.000 0.000 0.270 771 T C 1.673 176.391 174.700 0.029 0.000 1.068 771 T CA 0.758 62.870 62.100 0.020 0.000 1.131 771 T CB -0.357 68.521 68.868 0.017 0.000 0.871 771 T HN 0.358 nan 8.240 nan 0.000 0.479 772 I N 0.979 121.570 120.570 0.034 0.000 2.277 772 I HA -0.072 4.098 4.170 -0.000 0.000 0.243 772 I C 2.898 179.054 176.117 0.065 0.000 1.094 772 I CA 0.794 62.129 61.300 0.058 0.000 1.393 772 I CB -0.405 37.633 38.000 0.064 0.000 1.078 772 I HN 0.177 nan 8.210 nan 0.000 0.417 773 A N 0.551 123.403 122.820 0.052 0.000 1.948 773 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 773 A C 2.123 179.725 177.584 0.029 0.000 1.177 773 A CA 1.900 53.966 52.037 0.049 0.000 0.636 773 A CB -0.659 18.369 19.000 0.047 0.000 0.815 773 A HN 0.475 nan 8.150 nan 0.000 0.449 774 E N -0.431 119.784 120.200 0.025 0.000 2.110 774 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 774 E C 2.262 178.867 176.600 0.008 0.000 0.988 774 E CA 0.906 57.314 56.400 0.012 0.000 0.804 774 E CB -0.271 29.438 29.700 0.014 0.000 0.745 774 E HN 0.654 nan 8.360 nan 0.000 0.458 775 A N 0.813 123.645 122.820 0.020 0.000 1.930 775 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 775 A C 2.446 180.037 177.584 0.012 0.000 1.175 775 A CA 0.836 52.884 52.037 0.019 0.000 0.627 775 A CB -0.385 18.636 19.000 0.034 0.000 0.815 775 A HN 0.105 nan 8.150 nan 0.000 0.443 776 V N 0.672 120.598 119.914 0.020 0.000 2.427 776 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 776 V C 2.383 178.464 176.094 -0.023 0.000 1.051 776 V CA 1.734 64.038 62.300 0.006 0.000 1.048 776 V CB -0.598 31.242 31.823 0.028 0.000 0.666 776 V HN 0.552 nan 8.190 nan 0.000 0.456 777 I N 0.106 120.657 120.570 -0.031 0.000 2.353 777 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 777 I C 2.590 178.675 176.117 -0.052 0.000 1.119 777 I CA 1.588 62.852 61.300 -0.061 0.000 1.417 777 I CB -0.617 37.338 38.000 -0.074 0.000 1.078 777 I HN 0.376 nan 8.210 nan 0.000 0.421 778 E N 1.737 121.917 120.200 -0.033 0.000 2.085 778 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 778 E C 2.285 178.866 176.600 -0.032 0.000 0.994 778 E CA 1.570 57.952 56.400 -0.029 0.000 0.801 778 E CB -0.337 29.354 29.700 -0.016 0.000 0.743 778 E HN 0.366 nan 8.360 nan 0.000 0.453 779 M N -0.175 119.408 119.600 -0.029 0.000 2.082 779 M HA -0.190 4.290 4.480 -0.000 0.000 0.258 779 M C 1.552 177.825 176.300 -0.045 0.000 1.069 779 M CA 1.645 56.926 55.300 -0.032 0.000 1.102 779 M CB -0.140 32.443 32.600 -0.028 0.000 1.336 779 M HN 0.183 nan 8.290 nan 0.000 0.404 780 I N 1.125 121.662 120.570 -0.055 0.000 2.226 780 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 780 I C 1.880 177.951 176.117 -0.077 0.000 1.100 780 I CA 1.430 62.686 61.300 -0.073 0.000 1.374 780 I CB -1.914 36.033 38.000 -0.088 0.000 1.057 780 I HN 0.418 nan 8.210 nan 0.000 0.413 781 N N 0.792 119.451 118.700 -0.068 0.000 2.300 781 N HA -0.068 4.672 4.740 -0.000 0.000 0.179 781 N C 1.703 177.182 175.510 -0.052 0.000 1.016 781 N CA 0.673 53.685 53.050 -0.064 0.000 0.876 781 N CB -0.141 38.311 38.487 -0.058 0.000 0.979 781 N HN 0.335 nan 8.380 nan 0.000 0.432 782 R N 0.274 120.748 120.500 -0.044 0.000 2.310 782 R HA 0.116 4.456 4.340 -0.000 0.000 0.202 782 R C 0.512 176.789 176.300 -0.038 0.000 0.933 782 R CA 0.339 56.418 56.100 -0.036 0.000 1.054 782 R CB -0.084 30.199 30.300 -0.028 0.000 0.985 782 R HN 0.194 nan 8.270 nan 0.000 0.489 783 G N 2.224 110.996 108.800 -0.048 0.000 2.249 783 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.273 783 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.273 783 G C -0.062 174.814 174.900 -0.040 0.000 1.036 783 G CA 0.233 45.303 45.100 -0.050 0.000 0.824 783 G HN 0.371 nan 8.290 nan 0.000 0.504 784 Q N -0.955 118.823 119.800 -0.036 0.000 2.354 784 Q HA 0.432 4.772 4.340 -0.000 0.000 0.244 784 Q C 1.582 177.564 176.000 -0.029 0.000 0.969 784 Q CA -0.916 54.870 55.803 -0.029 0.000 0.885 784 Q CB 0.670 29.393 28.738 -0.024 0.000 1.241 784 Q HN 0.160 nan 8.270 nan 0.000 0.461 785 I N 0.208 120.764 120.570 -0.023 0.000 2.202 785 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 785 I C 0.964 177.068 176.117 -0.022 0.000 1.091 785 I CA 1.696 62.983 61.300 -0.021 0.000 1.368 785 I CB -0.746 37.243 38.000 -0.017 0.000 1.058 785 I HN 0.721 nan 8.210 nan 0.000 0.410 786 Q N 0.813 120.600 119.800 -0.021 0.000 2.647 786 Q HA 0.558 4.898 4.340 -0.000 0.000 0.283 786 Q C -1.186 174.802 176.000 -0.020 0.000 0.943 786 Q CA -0.745 55.044 55.803 -0.023 0.000 0.813 786 Q CB 2.373 31.099 28.738 -0.021 0.000 1.477 786 Q HN 0.238 nan 8.270 nan 0.000 0.393 787 I N -2.125 118.432 120.570 -0.022 0.000 3.174 787 I HA 0.752 4.922 4.170 -0.000 0.000 0.313 787 I C -1.041 175.070 176.117 -0.009 0.000 1.155 787 I CA -0.974 60.319 61.300 -0.011 0.000 0.977 787 I CB 2.706 40.703 38.000 -0.005 0.000 1.248 787 I HN 0.598 nan 8.210 nan 0.000 0.453 788 T N 3.916 118.476 114.554 0.008 0.000 2.823 788 T HA 0.705 5.055 4.350 -0.000 0.000 0.279 788 T C -0.383 174.357 174.700 0.065 0.000 0.998 788 T CA -0.287 61.828 62.100 0.025 0.000 0.994 788 T CB 1.379 70.257 68.868 0.016 0.000 0.960 788 T HN 0.412 nan 8.240 nan 0.000 0.448 789 I N 3.104 123.749 120.570 0.125 0.000 2.548 789 I HA 0.280 4.450 4.170 -0.000 0.000 0.287 789 I C -0.381 175.952 176.117 0.360 0.000 1.103 789 I CA -0.936 60.503 61.300 0.231 0.000 1.049 789 I CB 1.761 39.950 38.000 0.314 0.000 1.232 789 I HN 0.558 nan 8.210 nan 0.000 0.429 790 N N 4.753 123.605 118.700 0.254 0.000 2.696 790 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 790 N C 0.973 176.552 175.510 0.116 0.000 1.090 790 N CA 1.506 54.698 53.050 0.237 0.000 0.716 790 N CB -0.951 37.763 38.487 0.379 0.000 1.020 790 N HN 1.195 nan 8.380 nan 0.000 0.548 791 G N -2.296 106.520 108.800 0.027 0.000 2.225 791 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.254 791 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.254 791 G C 0.107 174.880 174.900 -0.211 0.000 0.988 791 G CA 0.338 45.356 45.100 -0.137 0.000 0.625 791 G HN 0.370 nan 8.290 nan 0.000 0.527 792 F N 1.745 121.730 119.950 0.058 0.000 2.399 792 F HA 0.622 5.149 4.527 -0.000 0.000 0.342 792 F C 1.079 176.825 175.800 -0.091 0.000 1.106 792 F CA 0.082 58.077 58.000 -0.008 0.000 1.196 792 F CB 1.731 40.734 39.000 0.006 0.000 1.163 792 F HN 0.020 nan 8.300 nan 0.000 0.547 793 S N 4.145 119.890 115.700 0.075 0.000 2.439 793 S HA 0.497 4.967 4.470 -0.000 0.000 0.282 793 S C -0.553 174.006 174.600 -0.067 0.000 1.170 793 S CA -0.699 57.499 58.200 -0.005 0.000 1.054 793 S CB -0.340 62.857 63.200 -0.005 0.000 0.956 793 S HN 0.339 nan 8.310 nan 0.000 0.490 794 I N 4.524 125.037 120.570 -0.095 0.000 2.362 794 I HA 0.353 4.523 4.170 -0.000 0.000 0.289 794 I C 0.219 176.294 176.117 -0.071 0.000 0.994 794 I CA -0.393 60.827 61.300 -0.134 0.000 1.158 794 I CB 1.123 39.018 38.000 -0.175 0.000 1.315 794 I HN 0.465 nan 8.210 nan 0.000 0.451 795 S N 5.329 120.996 115.700 -0.055 0.000 2.509 795 S HA 0.332 4.802 4.470 -0.000 0.000 0.297 795 S C 0.121 174.707 174.600 -0.023 0.000 1.118 795 S CA -0.727 57.455 58.200 -0.030 0.000 1.074 795 S CB 1.610 64.802 63.200 -0.015 0.000 1.038 795 S HN 0.580 nan 8.310 nan 0.000 0.498 796 N N 1.671 120.357 118.700 -0.023 0.000 2.452 796 N HA 0.077 4.817 4.740 -0.000 0.000 0.266 796 N C 1.289 176.793 175.510 -0.010 0.000 1.175 796 N CA -0.005 53.030 53.050 -0.025 0.000 0.945 796 N CB 1.137 39.602 38.487 -0.036 0.000 1.063 796 N HN 0.805 nan 8.380 nan 0.000 0.472 797 G N 3.549 112.352 108.800 0.004 0.000 2.516 797 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.221 797 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.221 797 G C 1.326 176.247 174.900 0.035 0.000 1.107 797 G CA 0.433 45.556 45.100 0.038 0.000 0.747 797 G HN 0.659 nan 8.290 nan 0.000 0.567 798 L N -0.113 121.103 121.223 -0.012 0.000 2.591 798 L HA 0.290 4.630 4.340 -0.000 0.000 0.228 798 L C 2.176 179.040 176.870 -0.011 0.000 1.133 798 L CA 0.405 55.230 54.840 -0.025 0.000 0.880 798 L CB 0.299 42.300 42.059 -0.098 0.000 1.033 798 L HN 0.281 nan 8.230 nan 0.000 0.450 799 A N -1.125 121.692 122.820 -0.005 0.000 2.606 799 A HA 0.130 4.450 4.320 -0.000 0.000 0.290 799 A C 1.743 179.330 177.584 0.005 0.000 1.174 799 A CA 0.376 52.410 52.037 -0.004 0.000 0.958 799 A CB -0.424 18.569 19.000 -0.013 0.000 1.194 799 A HN 0.326 nan 8.150 nan 0.000 0.526 800 T N -3.448 111.116 114.554 0.017 0.000 2.849 800 T HA -0.162 4.188 4.350 -0.000 0.000 0.270 800 T C 1.682 176.392 174.700 0.017 0.000 1.066 800 T CA 2.335 64.448 62.100 0.021 0.000 1.130 800 T CB -0.608 68.283 68.868 0.039 0.000 0.864 800 T HN 0.198 nan 8.240 nan 0.000 0.481 801 T N 1.990 116.555 114.554 0.018 0.000 3.035 801 T HA -0.020 4.330 4.350 -0.000 0.000 0.268 801 T C 1.830 176.535 174.700 0.009 0.000 1.109 801 T CA 1.263 63.373 62.100 0.017 0.000 1.119 801 T CB -0.292 68.588 68.868 0.019 0.000 0.900 801 T HN 0.851 nan 8.240 nan 0.000 0.503 802 Q N -0.838 118.965 119.800 0.005 0.000 2.247 802 Q HA 0.309 4.649 4.340 -0.000 0.000 0.211 802 Q C 1.631 177.629 176.000 -0.003 0.000 0.861 802 Q CA 0.078 55.882 55.803 0.000 0.000 0.949 802 Q CB 0.138 28.875 28.738 -0.002 0.000 1.115 802 Q HN 0.443 nan 8.270 nan 0.000 0.507 803 I N 0.499 121.068 120.570 -0.003 0.000 2.685 803 I HA 0.070 4.240 4.170 -0.000 0.000 0.251 803 I C 0.422 176.534 176.117 -0.008 0.000 1.102 803 I CA 0.342 61.638 61.300 -0.006 0.000 1.442 803 I CB 0.486 38.481 38.000 -0.007 0.000 1.194 803 I HN 0.130 nan 8.210 nan 0.000 0.448 804 N N 1.196 119.892 118.700 -0.006 0.000 2.653 804 N HA 0.034 4.774 4.740 -0.000 0.000 0.261 804 N C 0.272 175.780 175.510 -0.003 0.000 1.216 804 N CA -0.258 52.786 53.050 -0.010 0.000 0.784 804 N CB 0.310 38.785 38.487 -0.020 0.000 1.327 804 N HN 0.135 nan 8.380 nan 0.000 0.539 805 N N 2.586 121.286 118.700 0.000 0.000 2.192 805 N HA -0.206 4.534 4.740 -0.000 0.000 0.188 805 N C 0.650 176.166 175.510 0.010 0.000 1.013 805 N CA 1.013 54.069 53.050 0.010 0.000 0.863 805 N CB 0.162 38.656 38.487 0.011 0.000 0.990 805 N HN 0.338 nan 8.380 nan 0.000 0.430 806 K N 0.920 121.314 120.400 -0.010 0.000 2.155 806 K HA 0.136 4.456 4.320 -0.000 0.000 0.203 806 K C 2.180 178.766 176.600 -0.024 0.000 1.052 806 K CA 1.013 57.283 56.287 -0.028 0.000 0.948 806 K CB -0.505 31.961 32.500 -0.058 0.000 0.728 806 K HN 0.344 nan 8.250 nan 0.000 0.448 807 A N 1.331 124.140 122.820 -0.019 0.000 1.969 807 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 807 A C 2.321 179.932 177.584 0.045 0.000 1.169 807 A CA 1.810 53.839 52.037 -0.012 0.000 0.635 807 A CB -0.387 18.593 19.000 -0.034 0.000 0.810 807 A HN 0.274 nan 8.150 nan 0.000 0.445 808 A N -0.399 122.450 122.820 0.048 0.000 1.968 808 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 808 A C 2.281 179.928 177.584 0.105 0.000 1.169 808 A CA 2.052 54.133 52.037 0.074 0.000 0.638 808 A CB -0.963 18.067 19.000 0.051 0.000 0.812 808 A HN 0.710 nan 8.150 nan 0.000 0.446 809 T N -4.755 109.862 114.554 0.105 0.000 3.081 809 T HA 0.387 4.737 4.350 -0.000 0.000 0.255 809 T C 1.416 176.249 174.700 0.222 0.000 1.113 809 T CA 1.144 63.337 62.100 0.155 0.000 1.082 809 T CB 0.153 69.118 68.868 0.163 0.000 0.939 809 T HN 1.619 nan 8.240 nan 0.000 0.506 810 G N 1.411 110.319 108.800 0.181 0.000 2.175 810 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.244 810 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.244 810 G C 0.613 175.495 174.900 -0.031 0.000 0.982 810 G CA 0.313 45.511 45.100 0.164 0.000 0.641 810 G HN 0.572 nan 8.290 nan 0.000 0.527 811 E N 0.125 120.223 120.200 -0.170 0.000 2.216 811 E HA 0.093 4.443 4.350 -0.000 0.000 0.192 811 E C 0.908 177.345 176.600 -0.272 0.000 0.988 811 E CA 0.783 56.906 56.400 -0.462 0.000 0.834 811 E CB 0.222 29.658 29.700 -0.440 0.000 0.772 811 E HN 0.707 nan 8.360 nan 0.000 0.479 812 E N 0.381 120.486 120.200 -0.158 0.000 2.312 812 E HA 0.349 4.699 4.350 -0.000 0.000 0.267 812 E C -1.178 175.358 176.600 -0.106 0.000 0.894 812 E CA -0.672 55.653 56.400 -0.124 0.000 0.773 812 E CB 2.992 32.633 29.700 -0.097 0.000 1.241 812 E HN -0.176 nan 8.360 nan 0.000 0.432 813 V N 3.219 123.066 119.914 -0.110 0.000 2.498 813 V HA 0.179 4.299 4.120 -0.000 0.000 0.279 813 V C -2.142 173.850 176.094 -0.170 0.000 1.048 813 V CA -1.638 60.579 62.300 -0.139 0.000 0.967 813 V CB 0.715 32.485 31.823 -0.088 0.000 0.988 813 V HN 0.560 nan 8.190 nan 0.000 0.473 814 P HA 0.169 nan 4.420 nan 0.000 0.265 814 P C 0.201 177.427 177.300 -0.123 0.000 1.193 814 P CA 0.148 63.122 63.100 -0.210 0.000 0.765 814 P CB 0.389 31.905 31.700 -0.307 0.000 0.823 815 R N 0.308 120.771 120.500 -0.063 0.000 2.397 815 R HA 0.131 4.471 4.340 -0.000 0.000 0.241 815 R C 0.604 176.903 176.300 -0.003 0.000 0.914 815 R CA 0.234 56.319 56.100 -0.026 0.000 1.071 815 R CB 0.190 30.476 30.300 -0.022 0.000 1.116 815 R HN 0.565 nan 8.270 nan 0.000 0.524 816 T N -2.030 112.518 114.554 -0.010 0.000 2.950 816 T HA 0.504 4.854 4.350 -0.000 0.000 0.288 816 T C 0.329 175.032 174.700 0.004 0.000 1.035 816 T CA -0.770 61.330 62.100 -0.000 0.000 1.028 816 T CB 1.807 70.668 68.868 -0.012 0.000 1.109 816 T HN -0.107 nan 8.240 nan 0.000 0.514 817 I N 1.647 122.204 120.570 -0.021 0.000 2.441 817 I HA 0.315 4.485 4.170 -0.000 0.000 0.287 817 I C -0.079 176.018 176.117 -0.034 0.000 1.049 817 I CA -0.570 60.705 61.300 -0.042 0.000 1.381 817 I CB 0.560 38.456 38.000 -0.172 0.000 1.409 817 I HN 0.468 nan 8.210 nan 0.000 0.523 818 I N 6.388 126.970 120.570 0.020 0.000 2.530 818 I HA 0.378 4.548 4.170 -0.000 0.000 0.297 818 I C -0.547 175.585 176.117 0.025 0.000 1.011 818 I CA -0.923 60.397 61.300 0.033 0.000 1.107 818 I CB 2.142 40.196 38.000 0.090 0.000 1.285 818 I HN 0.160 nan 8.210 nan 0.000 0.436 819 V N 4.341 124.261 119.914 0.010 0.000 2.370 819 V HA 0.401 4.521 4.120 -0.000 0.000 0.283 819 V C -0.054 176.055 176.094 0.024 0.000 1.023 819 V CA -0.326 61.979 62.300 0.008 0.000 0.857 819 V CB 1.560 33.373 31.823 -0.016 0.000 0.985 819 V HN 0.767 nan 8.190 nan 0.000 0.443 820 T N 3.447 118.026 114.554 0.042 0.000 2.807 820 T HA 0.704 5.054 4.350 -0.000 0.000 0.279 820 T C 0.023 174.759 174.700 0.059 0.000 0.993 820 T CA -0.532 61.618 62.100 0.082 0.000 0.970 820 T CB 1.694 70.633 68.868 0.119 0.000 0.950 820 T HN 0.905 nan 8.240 nan 0.000 0.441 821 T N -0.079 114.512 114.554 0.062 0.000 2.896 821 T HA 0.502 4.852 4.350 -0.000 0.000 0.297 821 T C 0.823 175.551 174.700 0.048 0.000 1.108 821 T CA -1.080 61.021 62.100 0.002 0.000 1.004 821 T CB 2.054 70.871 68.868 -0.085 0.000 1.159 821 T HN 0.404 nan 8.240 nan 0.000 0.499 822 R N 0.518 121.002 120.500 -0.026 0.000 2.115 822 R HA -0.015 4.325 4.340 -0.000 0.000 0.226 822 R C 2.607 178.863 176.300 -0.073 0.000 1.100 822 R CA 1.462 57.529 56.100 -0.055 0.000 0.980 822 R CB -0.292 29.927 30.300 -0.135 0.000 0.875 822 R HN 0.850 nan 8.270 nan 0.000 0.445 823 S N 0.475 116.110 115.700 -0.109 0.000 2.442 823 S HA -0.173 4.297 4.470 -0.000 0.000 0.236 823 S C 1.752 176.266 174.600 -0.144 0.000 1.007 823 S CA 0.778 58.905 58.200 -0.122 0.000 0.965 823 S CB -0.106 63.012 63.200 -0.137 0.000 0.773 823 S HN 0.334 nan 8.310 nan 0.000 0.504 824 Q N -0.472 119.209 119.800 -0.199 0.000 2.291 824 Q HA -0.002 4.338 4.340 -0.000 0.000 0.205 824 Q C 0.627 176.303 176.000 -0.541 0.000 0.970 824 Q CA 1.221 56.780 55.803 -0.406 0.000 0.876 824 Q CB -0.130 28.251 28.738 -0.594 0.000 0.935 824 Q HN 0.823 nan 8.270 nan 0.000 0.455 825 Y N -2.236 118.024 120.300 -0.068 0.000 2.500 825 Y HA 0.307 4.856 4.550 -0.000 0.000 0.246 825 Y C 1.152 176.983 175.900 -0.115 0.000 1.146 825 Y CA 0.133 58.201 58.100 -0.054 0.000 1.230 825 Y CB 1.284 39.710 38.460 -0.056 0.000 1.214 825 Y HN 0.038 nan 8.280 nan 0.000 0.526 826 G N 1.247 110.028 108.800 -0.032 0.000 2.160 826 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.244 826 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.244 826 G C -0.226 174.598 174.900 -0.126 0.000 1.022 826 G CA -0.073 44.990 45.100 -0.061 0.000 0.741 826 G HN 0.245 nan 8.290 nan 0.000 0.508 827 L N 1.395 122.500 121.223 -0.196 0.000 2.350 827 L HA 0.444 4.784 4.340 -0.000 0.000 0.275 827 L C -1.308 175.447 176.870 -0.193 0.000 1.099 827 L CA -2.216 52.453 54.840 -0.285 0.000 0.808 827 L CB 1.022 42.801 42.059 -0.467 0.000 1.149 827 L HN -0.020 nan 8.230 nan 0.000 0.442 828 P HA 0.034 nan 4.420 nan 0.000 0.271 828 P C -0.171 177.040 177.300 -0.149 0.000 1.220 828 P CA -0.160 62.863 63.100 -0.129 0.000 0.768 828 P CB 0.943 32.575 31.700 -0.113 0.000 0.848 829 E N 1.978 122.114 120.200 -0.107 0.000 2.150 829 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 829 E C 0.231 176.698 176.600 -0.223 0.000 0.985 829 E CA 1.361 57.699 56.400 -0.104 0.000 0.814 829 E CB -0.071 29.660 29.700 0.051 0.000 0.752 829 E HN 0.636 nan 8.360 nan 0.000 0.466 830 D N -0.519 119.793 120.400 -0.147 0.000 2.891 830 D HA 0.426 5.066 4.640 -0.000 0.000 0.312 830 D C -0.420 175.814 176.300 -0.110 0.000 1.354 830 D CA -0.478 53.443 54.000 -0.131 0.000 0.838 830 D CB 0.396 41.186 40.800 -0.017 0.000 1.117 830 D HN 0.016 nan 8.370 nan 0.000 0.473 831 A N 0.202 122.927 122.820 -0.159 0.000 2.587 831 A HA 0.577 4.897 4.320 -0.000 0.000 0.293 831 A C -0.819 176.662 177.584 -0.172 0.000 1.087 831 A CA -0.853 51.109 52.037 -0.125 0.000 0.692 831 A CB 1.238 20.180 19.000 -0.097 0.000 1.291 831 A HN 0.141 nan 8.150 nan 0.000 0.407 832 I N 1.604 122.073 120.570 -0.168 0.000 2.556 832 I HA 0.183 4.353 4.170 -0.000 0.000 0.284 832 I C -0.193 175.726 176.117 -0.329 0.000 1.114 832 I CA 0.226 61.358 61.300 -0.280 0.000 1.418 832 I CB 0.829 38.625 38.000 -0.342 0.000 1.394 832 I HN 0.269 nan 8.210 nan 0.000 0.552 833 V N 8.438 128.135 119.914 -0.360 0.000 2.334 833 V HA 0.248 4.368 4.120 -0.000 0.000 0.281 833 V C -0.573 175.333 176.094 -0.313 0.000 1.016 833 V CA -0.700 61.441 62.300 -0.266 0.000 0.832 833 V CB 0.801 32.510 31.823 -0.190 0.000 0.999 833 V HN 0.376 nan 8.190 nan 0.000 0.439 834 Y N 3.993 124.231 120.300 -0.103 0.000 2.341 834 Y HA 0.526 5.076 4.550 -0.000 0.000 0.340 834 Y C 0.799 176.578 175.900 -0.203 0.000 0.997 834 Y CA -0.572 57.424 58.100 -0.173 0.000 1.149 834 Y CB 1.222 39.543 38.460 -0.231 0.000 1.171 834 Y HN 0.818 nan 8.280 nan 0.000 0.494 835 C N 2.762 121.972 119.300 -0.151 0.000 2.470 835 C HA 0.737 5.197 4.460 -0.000 0.000 0.341 835 C C -0.407 174.244 174.990 -0.564 0.000 1.190 835 C CA -0.783 58.002 59.018 -0.388 0.000 1.904 835 C CB 1.582 28.908 27.740 -0.689 0.000 2.354 835 C HN 0.918 nan 8.230 nan 0.000 0.509 836 N N 1.168 119.483 118.700 -0.643 0.000 2.572 836 N HA 0.328 5.068 4.740 -0.000 0.000 0.287 836 N C -1.278 174.083 175.510 -0.248 0.000 1.136 836 N CA -0.250 52.525 53.050 -0.457 0.000 0.900 836 N CB 1.014 39.315 38.487 -0.310 0.000 1.484 836 N HN 0.693 nan 8.380 nan 0.000 0.526 837 F N 0.817 120.709 119.950 -0.097 0.000 2.645 837 F HA 0.334 4.861 4.527 -0.000 0.000 0.300 837 F C 1.161 176.984 175.800 0.037 0.000 1.115 837 F CA -0.704 57.262 58.000 -0.056 0.000 1.355 837 F CB -0.492 38.525 39.000 0.028 0.000 1.026 837 F HN 0.250 nan 8.300 nan 0.000 0.536 838 N N 0.837 119.618 118.700 0.135 0.000 2.424 838 N HA 0.087 4.827 4.740 -0.000 0.000 0.257 838 N C 0.214 175.659 175.510 -0.109 0.000 1.250 838 N CA -0.222 52.819 53.050 -0.015 0.000 0.946 838 N CB 0.662 39.082 38.487 -0.112 0.000 1.175 838 N HN 0.239 nan 8.380 nan 0.000 0.477 839 Q N 0.982 120.487 119.800 -0.492 0.000 2.361 839 Q HA 0.050 4.390 4.340 -0.000 0.000 0.276 839 Q C 1.365 177.138 176.000 -0.379 0.000 1.022 839 Q CA -0.005 55.372 55.803 -0.710 0.000 0.898 839 Q CB 0.835 29.069 28.738 -0.841 0.000 1.246 839 Q HN 0.483 nan 8.270 nan 0.000 0.410 840 L N 1.934 123.096 121.223 -0.101 0.000 2.187 840 L HA -0.247 4.093 4.340 -0.000 0.000 0.213 840 L C 2.144 179.015 176.870 0.001 0.000 1.100 840 L CA 1.147 56.008 54.840 0.035 0.000 0.765 840 L CB -0.808 41.340 42.059 0.147 0.000 0.904 840 L HN 0.797 nan 8.230 nan 0.000 0.437 841 Y N 0.487 120.771 120.300 -0.025 0.000 2.384 841 Y HA -0.177 4.373 4.550 -0.000 0.000 0.289 841 Y C 1.986 177.888 175.900 0.005 0.000 1.152 841 Y CA 0.761 58.849 58.100 -0.020 0.000 1.258 841 Y CB -0.919 37.469 38.460 -0.120 0.000 0.979 841 Y HN 0.020 nan 8.280 nan 0.000 0.549 842 K N 0.978 121.037 120.400 -0.569 0.000 2.525 842 K HA 0.173 4.493 4.320 -0.000 0.000 0.192 842 K C -0.087 176.421 176.600 -0.155 0.000 1.029 842 K CA 0.237 56.298 56.287 -0.376 0.000 1.029 842 K CB -0.006 32.194 32.500 -0.500 0.000 0.814 842 K HN 0.368 nan 8.250 nan 0.000 0.503 843 I N 2.575 123.113 120.570 -0.054 0.000 2.359 843 I HA 0.067 4.237 4.170 -0.000 0.000 0.294 843 I C -0.282 175.755 176.117 -0.133 0.000 0.987 843 I CA -0.918 60.343 61.300 -0.066 0.000 1.225 843 I CB 1.253 39.340 38.000 0.144 0.000 1.366 843 I HN 0.069 nan 8.210 nan 0.000 0.466 844 D N 6.140 126.225 120.400 -0.524 0.000 2.467 844 D HA 0.409 5.049 4.640 -0.000 0.000 0.245 844 D C -2.422 172.908 176.300 -1.616 0.000 1.038 844 D CA -2.306 51.037 54.000 -1.095 0.000 1.038 844 D CB 0.713 41.049 40.800 -0.774 0.000 1.278 844 D HN 0.059 nan 8.370 nan 0.000 0.564 845 P HA -0.105 nan 4.420 nan 0.000 0.216 845 P C 1.130 177.944 177.300 -0.810 0.000 1.150 845 P CA 1.484 63.650 63.100 -1.557 0.000 0.837 845 P CB 0.125 31.127 31.700 -1.164 0.000 0.786 846 S N -1.003 114.286 115.700 -0.686 0.000 2.356 846 S HA -0.141 4.329 4.470 -0.000 0.000 0.223 846 S C 1.944 176.235 174.600 -0.515 0.000 1.032 846 S CA 1.915 59.834 58.200 -0.468 0.000 1.005 846 S CB -1.563 61.413 63.200 -0.375 0.000 0.867 846 S HN 0.258 nan 8.310 nan 0.000 0.449 847 T N 2.672 116.832 114.554 -0.657 0.000 2.746 847 T HA -0.021 4.329 4.350 -0.000 0.000 0.267 847 T C 1.771 175.884 174.700 -0.978 0.000 1.039 847 T CA 1.046 62.623 62.100 -0.871 0.000 1.142 847 T CB -0.453 67.844 68.868 -0.952 0.000 0.866 847 T HN 0.161 nan 8.240 nan 0.000 0.444 848 L N 1.276 122.097 121.223 -0.670 0.000 2.083 848 L HA -0.066 4.274 4.340 -0.000 0.000 0.209 848 L C 2.503 179.299 176.870 -0.122 0.000 1.083 848 L CA 1.799 56.478 54.840 -0.268 0.000 0.752 848 L CB -0.826 41.284 42.059 0.085 0.000 0.899 848 L HN 0.130 nan 8.230 nan 0.000 0.433 849 Q N -0.660 119.025 119.800 -0.192 0.000 2.050 849 Q HA -0.257 4.083 4.340 -0.000 0.000 0.202 849 Q C 2.329 178.276 176.000 -0.087 0.000 0.980 849 Q CA 2.433 58.173 55.803 -0.105 0.000 0.840 849 Q CB -0.439 28.216 28.738 -0.139 0.000 0.898 849 Q HN 0.547 nan 8.270 nan 0.000 0.424 850 M N -1.250 118.231 119.600 -0.198 0.000 2.089 850 M HA -0.246 4.234 4.480 -0.000 0.000 0.257 850 M C 1.367 177.708 176.300 0.068 0.000 1.071 850 M CA 1.867 57.084 55.300 -0.138 0.000 1.096 850 M CB -0.339 32.055 32.600 -0.342 0.000 1.330 850 M HN 0.379 nan 8.290 nan 0.000 0.403 851 W N -0.219 121.047 121.300 -0.056 0.000 2.358 851 W HA -0.045 4.615 4.660 -0.000 0.000 0.303 851 W C 2.697 179.188 176.519 -0.047 0.000 1.208 851 W CA 1.203 58.519 57.345 -0.048 0.000 1.274 851 W CB -1.555 27.886 29.460 -0.031 0.000 1.138 851 W HN 0.340 nan 8.180 nan 0.000 0.515 852 A N 0.831 123.776 122.820 0.207 0.000 1.940 852 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 852 A C 1.934 179.567 177.584 0.081 0.000 1.176 852 A CA 1.962 54.076 52.037 0.128 0.000 0.631 852 A CB -0.874 18.190 19.000 0.107 0.000 0.814 852 A HN 0.247 nan 8.150 nan 0.000 0.446 853 N N 0.314 119.054 118.700 0.067 0.000 2.120 853 N HA -0.116 4.624 4.740 -0.000 0.000 0.188 853 N C 1.584 177.119 175.510 0.041 0.000 1.024 853 N CA 1.664 54.742 53.050 0.046 0.000 0.852 853 N CB -0.481 38.027 38.487 0.035 0.000 1.003 853 N HN 0.613 nan 8.380 nan 0.000 0.424 854 I N 0.551 121.143 120.570 0.037 0.000 2.353 854 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 854 I C 1.897 177.994 176.117 -0.035 0.000 1.119 854 I CA 0.686 61.966 61.300 -0.033 0.000 1.417 854 I CB -0.197 37.708 38.000 -0.159 0.000 1.078 854 I HN 0.027 nan 8.210 nan 0.000 0.421 855 L N 0.499 121.719 121.223 -0.005 0.000 2.093 855 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 855 L C 2.428 179.332 176.870 0.055 0.000 1.085 855 L CA 1.330 56.195 54.840 0.041 0.000 0.755 855 L CB -0.443 41.652 42.059 0.060 0.000 0.904 855 L HN 0.113 nan 8.230 nan 0.000 0.435 856 K N -0.141 120.287 120.400 0.048 0.000 2.148 856 K HA -0.089 4.231 4.320 -0.000 0.000 0.204 856 K C 2.133 178.757 176.600 0.041 0.000 1.050 856 K CA 1.078 57.391 56.287 0.044 0.000 0.942 856 K CB 0.027 32.551 32.500 0.040 0.000 0.724 856 K HN 0.220 nan 8.250 nan 0.000 0.446 857 R N -0.179 120.345 120.500 0.041 0.000 2.246 857 R HA 0.087 4.427 4.340 -0.000 0.000 0.199 857 R C -0.087 176.245 176.300 0.053 0.000 0.984 857 R CA 0.323 56.447 56.100 0.040 0.000 1.015 857 R CB 0.642 30.963 30.300 0.035 0.000 0.930 857 R HN -0.103 nan 8.270 nan 0.000 0.475 858 V N 3.726 123.684 119.914 0.073 0.000 2.220 858 V HA 0.118 4.238 4.120 -0.000 0.000 0.265 858 V C -1.548 174.596 176.094 0.083 0.000 1.078 858 V CA -1.435 60.925 62.300 0.099 0.000 0.872 858 V CB 1.043 32.979 31.823 0.188 0.000 1.121 858 V HN 0.043 nan 8.190 nan 0.000 0.460 859 P HA -0.208 nan 4.420 nan 0.000 0.216 859 P C 0.500 177.825 177.300 0.041 0.000 1.167 859 P CA 1.432 64.557 63.100 0.043 0.000 0.933 859 P CB 0.222 31.940 31.700 0.031 0.000 0.793 860 N N 0.274 118.993 118.700 0.032 0.000 2.521 860 N HA 0.282 5.022 4.740 -0.000 0.000 0.236 860 N C -0.718 174.801 175.510 0.014 0.000 1.067 860 N CA -0.013 53.047 53.050 0.017 0.000 0.939 860 N CB -0.120 38.368 38.487 0.002 0.000 1.201 860 N HN 0.193 nan 8.380 nan 0.000 0.511 861 S N 0.074 115.793 115.700 0.032 0.000 2.578 861 S HA 0.668 5.138 4.470 -0.000 0.000 0.272 861 S C -0.883 173.752 174.600 0.059 0.000 1.145 861 S CA -0.920 57.306 58.200 0.043 0.000 0.835 861 S CB 0.672 63.972 63.200 0.168 0.000 1.104 861 S HN 0.192 nan 8.310 nan 0.000 0.458 862 V N -0.627 119.313 119.914 0.042 0.000 3.040 862 V HA 0.924 5.044 4.120 -0.000 0.000 0.312 862 V C -1.074 175.066 176.094 0.076 0.000 1.115 862 V CA -1.046 61.273 62.300 0.033 0.000 0.998 862 V CB 1.544 33.340 31.823 -0.045 0.000 1.042 862 V HN 1.095 nan 8.190 nan 0.000 0.433 863 L N 3.097 124.341 121.223 0.036 0.000 2.296 863 L HA 0.660 5.000 4.340 -0.000 0.000 0.286 863 L C -1.189 175.683 176.870 0.003 0.000 1.023 863 L CA -0.233 54.596 54.840 -0.018 0.000 0.812 863 L CB 1.380 43.387 42.059 -0.088 0.000 1.223 863 L HN 0.938 nan 8.230 nan 0.000 0.421 864 W N 7.745 128.912 121.300 -0.221 0.000 2.278 864 W HA 0.581 5.241 4.660 -0.000 0.000 0.317 864 W C -1.583 174.821 176.519 -0.191 0.000 1.030 864 W CA -1.152 56.088 57.345 -0.176 0.000 1.334 864 W CB 0.632 30.042 29.460 -0.082 0.000 1.215 864 W HN 0.411 nan 8.180 nan 0.000 0.405 865 L N 5.359 126.517 121.223 -0.109 0.000 2.256 865 L HA 0.595 4.935 4.340 -0.000 0.000 0.261 865 L C -0.257 176.591 176.870 -0.037 0.000 1.022 865 L CA -1.480 53.230 54.840 -0.216 0.000 0.828 865 L CB 1.684 43.459 42.059 -0.472 0.000 1.374 865 L HN 0.052 nan 8.230 nan 0.000 0.436 866 L N 0.436 121.758 121.223 0.166 0.000 2.342 866 L HA 0.510 4.850 4.340 -0.000 0.000 0.271 866 L C -0.161 176.955 176.870 0.409 0.000 1.008 866 L CA -0.814 54.162 54.840 0.226 0.000 0.818 866 L CB 1.811 43.921 42.059 0.085 0.000 1.296 866 L HN 0.493 nan 8.230 nan 0.000 0.427 867 R N 2.747 123.425 120.500 0.297 0.000 2.853 867 R HA 0.163 4.503 4.340 -0.000 0.000 0.238 867 R C -0.772 175.637 176.300 0.182 0.000 1.538 867 R CA 0.370 56.591 56.100 0.202 0.000 1.166 867 R CB -0.302 30.052 30.300 0.091 0.000 1.201 867 R HN 0.467 nan 8.270 nan 0.000 0.606 868 F N 4.194 124.200 119.950 0.093 0.000 2.646 868 F HA 0.293 4.820 4.527 -0.000 0.000 0.336 868 F C -2.236 173.608 175.800 0.073 0.000 1.437 868 F CA -2.258 55.780 58.000 0.064 0.000 1.142 868 F CB 1.516 40.547 39.000 0.052 0.000 1.530 868 F HN 0.269 nan 8.300 nan 0.000 0.591 869 P HA 0.266 nan 4.420 nan 0.000 0.284 869 P C 0.201 177.565 177.300 0.107 0.000 1.292 869 P CA -0.091 63.130 63.100 0.201 0.000 0.800 869 P CB 1.507 33.282 31.700 0.127 0.000 1.188 870 A N 0.578 123.427 122.820 0.047 0.000 1.930 870 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 870 A C 1.943 179.483 177.584 -0.074 0.000 1.175 870 A CA 2.128 54.154 52.037 -0.018 0.000 0.627 870 A CB -1.862 17.126 19.000 -0.020 0.000 0.815 870 A HN 0.464 nan 8.150 nan 0.000 0.443 871 V N -2.056 117.830 119.914 -0.047 0.000 3.241 871 V HA 0.066 4.186 4.120 -0.000 0.000 0.269 871 V C 1.833 177.869 176.094 -0.097 0.000 1.151 871 V CA 1.757 64.014 62.300 -0.072 0.000 1.158 871 V CB -1.151 30.643 31.823 -0.048 0.000 0.764 871 V HN 0.360 nan 8.190 nan 0.000 0.508 872 G N -0.184 108.566 108.800 -0.084 0.000 2.551 872 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.216 872 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.216 872 G C 1.333 176.124 174.900 -0.180 0.000 1.137 872 G CA 0.592 45.636 45.100 -0.092 0.000 0.798 872 G HN 0.615 nan 8.290 nan 0.000 0.536 873 E N 1.106 121.104 120.200 -0.337 0.000 2.038 873 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 873 E C -0.126 176.204 176.600 -0.450 0.000 1.000 873 E CA 1.377 57.321 56.400 -0.761 0.000 0.803 873 E CB -0.288 28.832 29.700 -0.967 0.000 0.750 873 E HN 0.311 nan 8.360 nan 0.000 0.448 874 P HA -0.107 nan 4.420 nan 0.000 0.216 874 P C 0.785 177.957 177.300 -0.214 0.000 1.153 874 P CA 1.252 64.226 63.100 -0.210 0.000 0.848 874 P CB -0.074 31.524 31.700 -0.170 0.000 0.787 875 N N -0.309 118.254 118.700 -0.228 0.000 2.043 875 N HA -0.142 4.598 4.740 -0.000 0.000 0.193 875 N C 1.832 177.176 175.510 -0.276 0.000 1.037 875 N CA 1.216 54.088 53.050 -0.297 0.000 0.851 875 N CB -0.931 37.415 38.487 -0.236 0.000 1.027 875 N HN 0.180 nan 8.380 nan 0.000 0.422 876 I N 1.444 121.942 120.570 -0.119 0.000 2.179 876 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 876 I C 2.314 178.501 176.117 0.117 0.000 1.088 876 I CA 0.972 62.308 61.300 0.060 0.000 1.357 876 I CB -0.248 37.895 38.000 0.239 0.000 1.051 876 I HN 0.135 nan 8.210 nan 0.000 0.409 877 Q N 0.334 120.179 119.800 0.074 0.000 2.152 877 Q HA -0.267 4.073 4.340 -0.000 0.000 0.206 877 Q C 2.168 178.176 176.000 0.012 0.000 0.985 877 Q CA 1.471 57.327 55.803 0.088 0.000 0.863 877 Q CB -0.447 28.317 28.738 0.043 0.000 0.904 877 Q HN 0.530 nan 8.270 nan 0.000 0.422 878 Q N -0.037 119.694 119.800 -0.115 0.000 2.020 878 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 878 Q C 1.964 177.882 176.000 -0.137 0.000 0.982 878 Q CA 1.463 57.148 55.803 -0.196 0.000 0.838 878 Q CB -0.358 28.148 28.738 -0.387 0.000 0.899 878 Q HN 0.477 nan 8.270 nan 0.000 0.423 879 Y N -0.013 120.290 120.300 0.004 0.000 2.384 879 Y HA -0.140 4.410 4.550 -0.000 0.000 0.289 879 Y C 2.207 178.167 175.900 0.099 0.000 1.152 879 Y CA 1.005 59.146 58.100 0.067 0.000 1.258 879 Y CB -0.654 37.872 38.460 0.111 0.000 0.979 879 Y HN 0.173 nan 8.280 nan 0.000 0.549 880 A N -0.498 122.454 122.820 0.220 0.000 2.021 880 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 880 A C 2.068 179.726 177.584 0.124 0.000 1.163 880 A CA 0.805 52.952 52.037 0.184 0.000 0.676 880 A CB -0.188 18.925 19.000 0.190 0.000 0.818 880 A HN 0.268 nan 8.150 nan 0.000 0.453 881 Q N 0.580 120.432 119.800 0.087 0.000 2.123 881 Q HA -0.105 4.235 4.340 -0.000 0.000 0.199 881 Q C 1.432 177.470 176.000 0.063 0.000 0.966 881 Q CA 1.283 57.122 55.803 0.060 0.000 0.845 881 Q CB -0.715 28.041 28.738 0.030 0.000 0.907 881 Q HN 0.632 nan 8.270 nan 0.000 0.439 882 N N 0.726 119.471 118.700 0.076 0.000 2.192 882 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 882 N C 1.462 177.027 175.510 0.090 0.000 1.013 882 N CA 1.141 54.244 53.050 0.088 0.000 0.863 882 N CB -0.204 38.362 38.487 0.133 0.000 0.990 882 N HN 0.322 nan 8.380 nan 0.000 0.430 883 M N -1.115 118.547 119.600 0.103 0.000 2.561 883 M HA 0.171 4.651 4.480 -0.000 0.000 0.238 883 M C 0.915 177.257 176.300 0.070 0.000 1.131 883 M CA 0.291 55.643 55.300 0.087 0.000 1.046 883 M CB 0.370 33.032 32.600 0.103 0.000 1.532 883 M HN 0.238 nan 8.290 nan 0.000 0.497 884 G N 1.340 110.179 108.800 0.065 0.000 2.159 884 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.256 884 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.256 884 G C 0.024 174.957 174.900 0.055 0.000 0.977 884 G CA -0.349 44.782 45.100 0.052 0.000 0.652 884 G HN 0.393 nan 8.290 nan 0.000 0.531 885 L N 1.236 122.500 121.223 0.068 0.000 2.416 885 L HA 0.331 4.671 4.340 -0.000 0.000 0.272 885 L C -1.236 175.671 176.870 0.062 0.000 1.161 885 L CA -1.872 53.009 54.840 0.070 0.000 0.845 885 L CB 0.463 42.576 42.059 0.090 0.000 1.119 885 L HN -0.062 nan 8.230 nan 0.000 0.464 886 P HA -0.043 nan 4.420 nan 0.000 0.271 886 P C -0.082 177.252 177.300 0.056 0.000 1.238 886 P CA -0.212 62.917 63.100 0.047 0.000 0.794 886 P CB 0.397 32.121 31.700 0.040 0.000 0.959 887 Q N 0.810 120.640 119.800 0.050 0.000 2.187 887 Q HA -0.101 4.239 4.340 -0.000 0.000 0.199 887 Q C 1.109 177.152 176.000 0.070 0.000 0.957 887 Q CA 1.149 56.988 55.803 0.059 0.000 0.857 887 Q CB -0.727 28.038 28.738 0.045 0.000 0.929 887 Q HN 0.462 nan 8.270 nan 0.000 0.453 888 N N 0.207 118.939 118.700 0.054 0.000 2.461 888 N HA 0.005 4.745 4.740 -0.000 0.000 0.188 888 N C 1.044 176.583 175.510 0.048 0.000 1.134 888 N CA -0.024 53.055 53.050 0.049 0.000 0.878 888 N CB 0.111 38.615 38.487 0.029 0.000 0.972 888 N HN 0.100 nan 8.380 nan 0.000 0.456 889 R N 0.819 121.355 120.500 0.060 0.000 2.148 889 R HA 0.231 4.571 4.340 -0.000 0.000 0.223 889 R C 0.691 177.026 176.300 0.058 0.000 1.088 889 R CA 0.344 56.479 56.100 0.058 0.000 0.985 889 R CB 0.016 30.359 30.300 0.070 0.000 0.880 889 R HN 0.325 nan 8.270 nan 0.000 0.451 890 I N 1.712 122.330 120.570 0.081 0.000 2.362 890 I HA 0.311 4.481 4.170 -0.000 0.000 0.289 890 I C -0.325 175.831 176.117 0.065 0.000 0.994 890 I CA -0.542 60.790 61.300 0.053 0.000 1.158 890 I CB 1.686 39.749 38.000 0.104 0.000 1.315 890 I HN -0.215 nan 8.210 nan 0.000 0.451 891 I N 6.334 126.898 120.570 -0.009 0.000 2.362 891 I HA 0.344 4.514 4.170 -0.000 0.000 0.289 891 I C -0.733 175.443 176.117 0.099 0.000 0.994 891 I CA -0.414 60.928 61.300 0.069 0.000 1.158 891 I CB 1.210 39.199 38.000 -0.019 0.000 1.315 891 I HN 0.332 nan 8.210 nan 0.000 0.451 892 F N 3.859 123.945 119.950 0.226 0.000 2.421 892 F HA 0.445 4.972 4.527 -0.000 0.000 0.337 892 F C 0.623 176.590 175.800 0.279 0.000 1.105 892 F CA -0.070 58.079 58.000 0.249 0.000 1.049 892 F CB 1.758 40.850 39.000 0.153 0.000 1.139 892 F HN 0.312 nan 8.300 nan 0.000 0.479 893 S N 3.756 119.728 115.700 0.453 0.000 2.542 893 S HA 0.531 5.001 4.470 -0.000 0.000 0.293 893 S C -2.643 172.068 174.600 0.186 0.000 1.089 893 S CA -1.438 56.980 58.200 0.363 0.000 0.961 893 S CB 2.145 65.645 63.200 0.500 0.000 1.062 893 S HN 0.257 nan 8.310 nan 0.000 0.483 894 P HA 0.140 nan 4.420 nan 0.000 0.272 894 P C -0.482 176.764 177.300 -0.090 0.000 1.223 894 P CA -0.299 62.816 63.100 0.025 0.000 0.784 894 P CB 0.343 32.064 31.700 0.035 0.000 0.923 895 V N 1.474 121.261 119.914 -0.212 0.000 2.788 895 V HA 0.240 4.360 4.120 -0.000 0.000 0.307 895 V C 1.001 176.957 176.094 -0.230 0.000 1.069 895 V CA 0.772 62.847 62.300 -0.376 0.000 1.173 895 V CB -0.011 31.450 31.823 -0.604 0.000 0.925 895 V HN 0.822 nan 8.190 nan 0.000 0.492 896 A N 6.326 129.007 122.820 -0.232 0.000 2.387 896 A HA 0.912 5.232 4.320 -0.000 0.000 0.303 896 A C -2.686 174.854 177.584 -0.074 0.000 1.145 896 A CA -1.890 50.084 52.037 -0.105 0.000 0.801 896 A CB 1.012 19.977 19.000 -0.058 0.000 1.342 896 A HN 0.693 nan 8.150 nan 0.000 0.440 897 P HA 0.073 nan 4.420 nan 0.000 0.267 897 P C 0.714 178.044 177.300 0.050 0.000 1.200 897 P CA -0.253 62.862 63.100 0.025 0.000 0.772 897 P CB 0.549 32.275 31.700 0.045 0.000 0.855 898 K N 2.089 122.535 120.400 0.077 0.000 2.071 898 K HA -0.268 4.052 4.320 -0.000 0.000 0.217 898 K C 1.651 178.273 176.600 0.037 0.000 1.054 898 K CA 1.807 58.158 56.287 0.107 0.000 0.937 898 K CB -0.331 32.229 32.500 0.100 0.000 0.719 898 K HN 0.560 nan 8.250 nan 0.000 0.454 899 E N 0.881 121.129 120.200 0.079 0.000 2.051 899 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 899 E C 1.916 178.480 176.600 -0.061 0.000 0.991 899 E CA 1.288 57.695 56.400 0.011 0.000 0.799 899 E CB -0.012 29.813 29.700 0.208 0.000 0.748 899 E HN 0.399 nan 8.360 nan 0.000 0.449 900 E N -0.511 119.696 120.200 0.012 0.000 2.110 900 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 900 E C 2.176 178.738 176.600 -0.063 0.000 0.988 900 E CA 1.371 57.780 56.400 0.015 0.000 0.804 900 E CB -0.322 29.415 29.700 0.061 0.000 0.745 900 E HN 0.315 nan 8.360 nan 0.000 0.458 901 H N -0.040 118.920 119.070 -0.185 0.000 2.387 901 H HA -0.077 4.479 4.556 -0.000 0.000 0.299 901 H C 1.760 176.929 175.328 -0.265 0.000 1.090 901 H CA 1.955 57.818 56.048 -0.309 0.000 1.332 901 H CB -0.173 29.432 29.762 -0.261 0.000 1.386 901 H HN 0.059 nan 8.280 nan 0.000 0.516 902 V N 0.490 120.081 119.914 -0.537 0.000 2.649 902 V HA -0.071 4.049 4.120 -0.000 0.000 0.248 902 V C 2.651 178.565 176.094 -0.301 0.000 1.054 902 V CA 1.719 63.699 62.300 -0.533 0.000 1.073 902 V CB -0.511 30.897 31.823 -0.691 0.000 0.699 902 V HN 0.392 nan 8.190 nan 0.000 0.463 903 R N 1.213 121.573 120.500 -0.234 0.000 2.115 903 R HA -0.119 4.221 4.340 -0.000 0.000 0.226 903 R C 2.457 178.734 176.300 -0.038 0.000 1.100 903 R CA 1.335 57.369 56.100 -0.111 0.000 0.980 903 R CB -0.135 30.140 30.300 -0.042 0.000 0.875 903 R HN 0.624 nan 8.270 nan 0.000 0.445 904 R N -0.772 119.694 120.500 -0.056 0.000 2.276 904 R HA 0.075 4.415 4.340 -0.000 0.000 0.203 904 R C 1.851 178.215 176.300 0.107 0.000 1.017 904 R CA 1.083 57.194 56.100 0.019 0.000 1.010 904 R CB -0.406 29.823 30.300 -0.120 0.000 0.900 904 R HN 0.212 nan 8.270 nan 0.000 0.469 905 G N 1.319 110.155 108.800 0.060 0.000 2.501 905 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.220 905 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.220 905 G C 1.193 176.169 174.900 0.127 0.000 1.114 905 G CA 0.195 45.410 45.100 0.192 0.000 0.757 905 G HN 0.424 nan 8.290 nan 0.000 0.559 906 Q N -0.572 119.277 119.800 0.082 0.000 2.364 906 Q HA 0.132 4.472 4.340 -0.000 0.000 0.207 906 Q C 2.218 178.250 176.000 0.052 0.000 0.970 906 Q CA 0.356 56.189 55.803 0.049 0.000 0.888 906 Q CB -0.082 28.672 28.738 0.027 0.000 0.951 906 Q HN 0.496 nan 8.270 nan 0.000 0.469 907 L N -0.283 121.015 121.223 0.125 0.000 2.418 907 L HA 0.141 4.481 4.340 -0.000 0.000 0.218 907 L C 0.998 177.901 176.870 0.055 0.000 1.125 907 L CA -0.435 54.456 54.840 0.084 0.000 0.835 907 L CB -0.153 41.967 42.059 0.102 0.000 0.953 907 L HN 0.013 nan 8.230 nan 0.000 0.454 908 A N -0.127 122.776 122.820 0.139 0.000 2.304 908 A HA 0.149 4.469 4.320 -0.000 0.000 0.271 908 A C 0.503 178.053 177.584 -0.056 0.000 1.091 908 A CA -0.371 51.704 52.037 0.064 0.000 0.812 908 A CB 0.461 19.521 19.000 0.099 0.000 1.056 908 A HN 0.111 nan 8.150 nan 0.000 0.489 909 D N -0.468 119.847 120.400 -0.141 0.000 2.269 909 D HA 0.156 4.796 4.640 -0.000 0.000 0.220 909 D C -0.044 176.160 176.300 -0.161 0.000 0.962 909 D CA 1.420 55.316 54.000 -0.173 0.000 0.884 909 D CB 0.396 41.043 40.800 -0.254 0.000 1.023 909 D HN 0.241 nan 8.370 nan 0.000 0.484 910 V N 0.464 120.262 119.914 -0.192 0.000 2.971 910 V HA 0.224 4.344 4.120 -0.000 0.000 0.309 910 V C -0.646 175.407 176.094 -0.070 0.000 1.130 910 V CA -1.055 61.184 62.300 -0.101 0.000 0.964 910 V CB 2.844 34.649 31.823 -0.029 0.000 1.029 910 V HN 0.225 nan 8.190 nan 0.000 0.427 911 C N 5.695 124.948 119.300 -0.079 0.000 2.319 911 C HA 0.716 5.176 4.460 -0.000 0.000 0.335 911 C C -0.230 174.706 174.990 -0.089 0.000 1.274 911 C CA -0.520 58.416 59.018 -0.137 0.000 1.806 911 C CB -0.462 27.177 27.740 -0.168 0.000 2.329 911 C HN 0.817 nan 8.230 nan 0.000 0.524 912 L N 5.681 126.819 121.223 -0.142 0.000 2.272 912 L HA 0.326 4.666 4.340 -0.000 0.000 0.284 912 L C 0.037 177.010 176.870 0.173 0.000 1.045 912 L CA -0.145 54.682 54.840 -0.023 0.000 0.842 912 L CB 0.540 42.429 42.059 -0.284 0.000 1.224 912 L HN 0.715 nan 8.230 nan 0.000 0.430 913 D N 2.122 122.669 120.400 0.246 0.000 2.399 913 D HA 0.075 4.715 4.640 -0.000 0.000 0.241 913 D C 0.193 176.698 176.300 0.342 0.000 1.133 913 D CA -0.020 54.118 54.000 0.230 0.000 0.890 913 D CB 1.117 42.006 40.800 0.148 0.000 1.201 913 D HN 0.486 nan 8.370 nan 0.000 0.432 914 T N 2.072 116.750 114.554 0.207 0.000 2.737 914 T HA 0.292 4.642 4.350 -0.000 0.000 0.296 914 T C -1.931 172.755 174.700 -0.023 0.000 0.922 914 T CA -1.384 60.763 62.100 0.079 0.000 1.079 914 T CB 1.424 70.296 68.868 0.007 0.000 0.892 914 T HN 0.214 nan 8.240 nan 0.000 0.514 915 P HA -0.035 nan 4.420 nan 0.000 0.217 915 P C 1.668 178.917 177.300 -0.083 0.000 1.151 915 P CA 0.027 63.068 63.100 -0.099 0.000 0.828 915 P CB 0.033 31.610 31.700 -0.205 0.000 0.788 916 L N -0.707 120.444 121.223 -0.122 0.000 1.971 916 L HA -0.107 4.233 4.340 -0.000 0.000 0.215 916 L C 0.741 177.593 176.870 -0.030 0.000 1.072 916 L CA 1.885 56.678 54.840 -0.080 0.000 0.758 916 L CB -0.825 41.176 42.059 -0.098 0.000 0.889 916 L HN 0.069 nan 8.230 nan 0.000 0.433 917 C N 0.669 119.938 119.300 -0.051 0.000 2.505 917 C HA 0.409 4.869 4.460 -0.000 0.000 0.342 917 C C 0.031 174.945 174.990 -0.128 0.000 1.121 917 C CA -1.408 57.587 59.018 -0.039 0.000 1.306 917 C CB -0.617 27.117 27.740 -0.010 0.000 1.897 917 C HN 0.601 nan 8.230 nan 0.000 0.446 918 N N 2.403 121.043 118.700 -0.100 0.000 2.297 918 N HA 0.359 5.099 4.740 -0.000 0.000 0.232 918 N C 0.547 175.850 175.510 -0.346 0.000 1.311 918 N CA 0.170 53.142 53.050 -0.130 0.000 0.897 918 N CB 0.484 38.972 38.487 0.002 0.000 1.137 918 N HN 0.891 nan 8.380 nan 0.000 0.449 919 G N -0.786 107.892 108.800 -0.202 0.000 2.364 919 G HA2 0.092 4.052 3.960 -0.000 0.000 0.267 919 G HA3 0.092 4.052 3.960 -0.000 0.000 0.267 919 G C -0.372 174.408 174.900 -0.200 0.000 1.233 919 G CA -0.131 44.849 45.100 -0.200 0.000 0.885 919 G HN 0.693 nan 8.290 nan 0.000 0.490 920 H N 1.060 120.061 119.070 -0.115 0.000 2.320 920 H HA 0.031 4.587 4.556 -0.000 0.000 0.321 920 H C 2.642 177.856 175.328 -0.189 0.000 1.141 920 H CA 0.724 56.563 56.048 -0.348 0.000 1.670 920 H CB 0.240 29.930 29.762 -0.120 0.000 1.515 920 H HN 0.480 nan 8.280 nan 0.000 0.638 921 T N 0.350 115.113 114.554 0.349 0.000 2.720 921 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 921 T C 1.920 176.804 174.700 0.306 0.000 1.037 921 T CA 1.976 64.317 62.100 0.402 0.000 1.144 921 T CB -0.519 68.551 68.868 0.336 0.000 0.864 921 T HN 0.388 nan 8.240 nan 0.000 0.444 922 T N 1.113 115.799 114.554 0.221 0.000 2.833 922 T HA -0.032 4.318 4.350 -0.000 0.000 0.269 922 T C 2.246 177.044 174.700 0.163 0.000 1.054 922 T CA 1.181 63.423 62.100 0.238 0.000 1.135 922 T CB -0.775 68.195 68.868 0.169 0.000 0.869 922 T HN 0.531 nan 8.240 nan 0.000 0.466 923 G N 1.873 110.711 108.800 0.064 0.000 2.421 923 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 923 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 923 G C 1.534 176.467 174.900 0.056 0.000 1.171 923 G CA 0.657 45.766 45.100 0.014 0.000 0.775 923 G HN 0.299 nan 8.290 nan 0.000 0.543 924 M N 1.176 120.820 119.600 0.073 0.000 2.149 924 M HA -0.039 4.441 4.480 -0.000 0.000 0.261 924 M C 1.973 178.329 176.300 0.093 0.000 1.064 924 M CA 1.008 56.355 55.300 0.078 0.000 1.102 924 M CB -1.031 31.634 32.600 0.107 0.000 1.369 924 M HN 0.129 nan 8.290 nan 0.000 0.408 925 D N 0.615 121.150 120.400 0.224 0.000 2.092 925 D HA -0.123 4.517 4.640 -0.000 0.000 0.193 925 D C 2.161 178.541 176.300 0.132 0.000 0.994 925 D CA 1.801 55.948 54.000 0.246 0.000 0.828 925 D CB -0.542 40.393 40.800 0.224 0.000 0.963 925 D HN 0.392 nan 8.370 nan 0.000 0.450 926 V N -0.805 119.173 119.914 0.106 0.000 2.548 926 V HA -0.093 4.027 4.120 -0.000 0.000 0.249 926 V C 2.386 178.526 176.094 0.077 0.000 1.055 926 V CA 0.975 63.310 62.300 0.059 0.000 1.065 926 V CB -0.856 30.964 31.823 -0.005 0.000 0.681 926 V HN 0.111 nan 8.190 nan 0.000 0.462 927 L N -1.084 120.221 121.223 0.136 0.000 2.141 927 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 927 L C 2.568 179.536 176.870 0.164 0.000 1.094 927 L CA 2.188 57.139 54.840 0.185 0.000 0.763 927 L CB -0.536 41.694 42.059 0.285 0.000 0.908 927 L HN 0.588 nan 8.230 nan 0.000 0.437 928 W N 0.673 121.906 121.300 -0.112 0.000 2.465 928 W HA -0.121 4.539 4.660 -0.000 0.000 0.268 928 W C 1.964 178.349 176.519 -0.224 0.000 1.242 928 W CA 1.003 58.099 57.345 -0.415 0.000 1.248 928 W CB 0.220 29.393 29.460 -0.479 0.000 1.118 928 W HN 0.137 nan 8.180 nan 0.000 0.587 929 A N 0.107 122.882 122.820 -0.075 0.000 2.238 929 A HA 0.273 4.593 4.320 -0.000 0.000 0.208 929 A C 1.574 179.201 177.584 0.071 0.000 1.177 929 A CA 1.155 53.158 52.037 -0.055 0.000 0.804 929 A CB -0.952 18.053 19.000 0.008 0.000 0.823 929 A HN 0.578 nan 8.150 nan 0.000 0.482 930 G N -1.257 107.566 108.800 0.037 0.000 2.137 930 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.237 930 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.237 930 G C 0.218 175.183 174.900 0.109 0.000 1.002 930 G CA 0.400 45.623 45.100 0.205 0.000 0.702 930 G HN 0.578 nan 8.290 nan 0.000 0.515 931 T N 2.386 116.969 114.554 0.048 0.000 2.749 931 T HA 0.534 4.884 4.350 -0.000 0.000 0.287 931 T C -2.218 172.478 174.700 -0.007 0.000 0.970 931 T CA -0.925 61.178 62.100 0.005 0.000 0.980 931 T CB 2.083 70.944 68.868 -0.011 0.000 0.924 931 T HN 0.068 nan 8.240 nan 0.000 0.456 932 P HA 0.224 nan 4.420 nan 0.000 0.268 932 P C -0.675 176.603 177.300 -0.036 0.000 1.205 932 P CA -0.288 62.792 63.100 -0.032 0.000 0.771 932 P CB 0.447 32.111 31.700 -0.059 0.000 0.858 933 M N 3.439 123.023 119.600 -0.027 0.000 2.190 933 M HA 0.359 4.839 4.480 -0.000 0.000 0.312 933 M C -1.542 174.736 176.300 -0.036 0.000 0.990 933 M CA -0.851 54.431 55.300 -0.031 0.000 0.927 933 M CB 1.351 33.942 32.600 -0.015 0.000 1.571 933 M HN -0.081 nan 8.290 nan 0.000 0.427 934 V N 3.838 123.708 119.914 -0.074 0.000 2.432 934 V HA 0.555 4.675 4.120 -0.000 0.000 0.275 934 V C 0.104 176.161 176.094 -0.061 0.000 1.043 934 V CA -0.247 61.957 62.300 -0.159 0.000 0.925 934 V CB 1.236 32.821 31.823 -0.396 0.000 0.985 934 V HN 0.919 nan 8.190 nan 0.000 0.466 935 T N 5.481 120.056 114.554 0.035 0.000 2.903 935 T HA 0.638 4.988 4.350 -0.000 0.000 0.299 935 T C -0.919 173.943 174.700 0.271 0.000 1.093 935 T CA -0.651 61.579 62.100 0.217 0.000 1.002 935 T CB 1.536 70.478 68.868 0.124 0.000 1.127 935 T HN 0.696 nan 8.240 nan 0.000 0.488 936 M N 5.727 125.503 119.600 0.293 0.000 1.999 936 M HA 0.436 4.916 4.480 -0.000 0.000 0.299 936 M C -2.577 173.777 176.300 0.089 0.000 0.900 936 M CA -2.009 53.402 55.300 0.185 0.000 0.904 936 M CB 1.721 34.416 32.600 0.158 0.000 1.477 936 M HN 0.312 nan 8.290 nan 0.000 0.403 937 P HA 0.219 nan 4.420 nan 0.000 0.271 937 P C -0.150 177.181 177.300 0.052 0.000 1.220 937 P CA 0.201 63.341 63.100 0.067 0.000 0.768 937 P CB 1.136 32.877 31.700 0.069 0.000 0.848 938 G N 2.628 111.458 108.800 0.050 0.000 2.829 938 G HA2 0.120 4.080 3.960 -0.000 0.000 0.173 938 G HA3 0.120 4.080 3.960 -0.000 0.000 0.173 938 G C 0.498 175.440 174.900 0.070 0.000 1.476 938 G CA -0.182 44.944 45.100 0.045 0.000 1.072 938 G HN 0.485 nan 8.290 nan 0.000 0.577 939 E N -0.654 119.603 120.200 0.095 0.000 2.413 939 E HA 0.072 4.422 4.350 -0.000 0.000 0.203 939 E C 0.836 177.533 176.600 0.161 0.000 0.957 939 E CA 0.260 56.745 56.400 0.142 0.000 0.950 939 E CB 0.486 30.328 29.700 0.237 0.000 0.957 939 E HN 0.476 nan 8.360 nan 0.000 0.497 940 T N -1.157 113.491 114.554 0.157 0.000 2.904 940 T HA 0.195 4.545 4.350 -0.000 0.000 0.290 940 T C 1.215 175.991 174.700 0.127 0.000 1.018 940 T CA -0.546 61.635 62.100 0.136 0.000 1.075 940 T CB 1.828 70.767 68.868 0.119 0.000 0.986 940 T HN 0.030 nan 8.240 nan 0.000 0.523 941 L N 1.960 123.267 121.223 0.140 0.000 2.043 941 L HA -0.074 4.266 4.340 -0.000 0.000 0.212 941 L C 2.781 179.746 176.870 0.160 0.000 1.075 941 L CA 2.077 57.020 54.840 0.171 0.000 0.752 941 L CB -0.993 41.187 42.059 0.202 0.000 0.891 941 L HN 0.955 nan 8.230 nan 0.000 0.432 942 A N -0.891 122.030 122.820 0.169 0.000 2.070 942 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 942 A C 2.201 179.965 177.584 0.300 0.000 1.159 942 A CA 1.610 53.827 52.037 0.300 0.000 0.656 942 A CB -0.620 18.542 19.000 0.271 0.000 0.800 942 A HN 0.662 nan 8.150 nan 0.000 0.453 943 S N -1.932 113.871 115.700 0.172 0.000 2.572 943 S HA 0.254 4.724 4.470 -0.000 0.000 0.228 943 S C 1.122 175.788 174.600 0.111 0.000 0.963 943 S CA -0.186 58.083 58.200 0.115 0.000 0.939 943 S CB 0.026 63.270 63.200 0.074 0.000 0.804 943 S HN 0.581 nan 8.310 nan 0.000 0.480 944 R N -0.193 120.388 120.500 0.136 0.000 2.509 944 R HA 0.334 4.674 4.340 -0.000 0.000 0.297 944 R C 0.977 177.347 176.300 0.116 0.000 0.951 944 R CA 0.191 56.361 56.100 0.115 0.000 1.103 944 R CB 0.309 30.678 30.300 0.115 0.000 1.283 944 R HN 0.265 nan 8.270 nan 0.000 0.534 945 V N 1.014 121.008 119.914 0.133 0.000 2.427 945 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 945 V C 2.424 178.503 176.094 -0.024 0.000 1.051 945 V CA 2.238 64.576 62.300 0.062 0.000 1.048 945 V CB -0.342 31.472 31.823 -0.015 0.000 0.666 945 V HN 0.352 nan 8.190 nan 0.000 0.456 946 A N 0.205 123.032 122.820 0.011 0.000 1.877 946 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 946 A C 2.448 180.033 177.584 0.003 0.000 1.186 946 A CA 2.063 54.091 52.037 -0.015 0.000 0.620 946 A CB -0.836 18.174 19.000 0.016 0.000 0.822 946 A HN 0.552 nan 8.150 nan 0.000 0.443 947 A N -0.768 122.073 122.820 0.035 0.000 1.908 947 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 947 A C 2.492 180.095 177.584 0.032 0.000 1.181 947 A CA 2.283 54.344 52.037 0.040 0.000 0.627 947 A CB -1.008 18.025 19.000 0.055 0.000 0.818 947 A HN 0.591 nan 8.150 nan 0.000 0.445 948 S N -0.713 115.010 115.700 0.037 0.000 2.368 948 S HA -0.250 4.220 4.470 -0.000 0.000 0.225 948 S C 2.147 176.757 174.600 0.016 0.000 1.030 948 S CA 1.791 60.019 58.200 0.046 0.000 0.999 948 S CB -0.400 62.856 63.200 0.095 0.000 0.844 948 S HN 0.687 nan 8.310 nan 0.000 0.459 949 Q N 0.128 119.908 119.800 -0.033 0.000 2.124 949 Q HA -0.040 4.300 4.340 -0.000 0.000 0.202 949 Q C 2.245 178.225 176.000 -0.032 0.000 0.977 949 Q CA 1.556 57.318 55.803 -0.068 0.000 0.850 949 Q CB -0.264 28.397 28.738 -0.129 0.000 0.901 949 Q HN 0.519 nan 8.270 nan 0.000 0.429 950 L N 0.072 121.290 121.223 -0.009 0.000 2.109 950 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 950 L C 2.766 179.647 176.870 0.019 0.000 1.086 950 L CA 1.460 56.304 54.840 0.008 0.000 0.760 950 L CB -0.579 41.488 42.059 0.014 0.000 0.910 950 L HN 0.368 nan 8.230 nan 0.000 0.437 951 T N -3.315 111.256 114.554 0.027 0.000 2.904 951 T HA -0.220 4.130 4.350 -0.000 0.000 0.267 951 T C 2.069 176.797 174.700 0.046 0.000 1.059 951 T CA 1.107 63.230 62.100 0.039 0.000 1.137 951 T CB -0.718 68.177 68.868 0.044 0.000 0.879 951 T HN 0.440 nan 8.240 nan 0.000 0.467 952 C N 0.632 119.956 119.300 0.040 0.000 2.446 952 C HA 0.163 4.623 4.460 -0.000 0.000 0.277 952 C C 2.529 177.509 174.990 -0.017 0.000 1.275 952 C CA 0.614 59.647 59.018 0.025 0.000 1.727 952 C CB -1.717 26.035 27.740 0.021 0.000 2.010 952 C HN 0.626 nan 8.230 nan 0.000 0.486 953 L N 1.681 122.900 121.223 -0.007 0.000 2.042 953 L HA 0.180 4.520 4.340 -0.000 0.000 0.210 953 L C 1.686 178.565 176.870 0.016 0.000 1.076 953 L CA 2.672 57.519 54.840 0.011 0.000 0.749 953 L CB -0.748 41.329 42.059 0.030 0.000 0.893 953 L HN 0.667 nan 8.230 nan 0.000 0.432 954 G N -2.641 106.171 108.800 0.019 0.000 2.237 954 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.153 954 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.153 954 G C 0.013 174.928 174.900 0.024 0.000 1.039 954 G CA -0.190 44.924 45.100 0.023 0.000 0.719 954 G HN 0.328 nan 8.290 nan 0.000 0.491 955 C N 1.689 121.004 119.300 0.024 0.000 3.169 955 C HA 0.449 4.909 4.460 -0.000 0.000 0.232 955 C C 1.935 176.942 174.990 0.028 0.000 1.316 955 C CA -0.446 58.585 59.018 0.022 0.000 1.545 955 C CB -0.834 26.913 27.740 0.012 0.000 1.785 955 C HN 0.547 nan 8.230 nan 0.000 0.454 956 L N 1.348 122.592 121.223 0.035 0.000 2.376 956 L HA -0.076 4.264 4.340 -0.000 0.000 0.219 956 L C 2.660 179.557 176.870 0.044 0.000 1.133 956 L CA 1.178 56.041 54.840 0.038 0.000 0.816 956 L CB -0.193 41.889 42.059 0.039 0.000 0.933 956 L HN 0.692 nan 8.230 nan 0.000 0.449 957 E N 0.700 120.932 120.200 0.053 0.000 2.511 957 E HA -0.113 4.237 4.350 -0.000 0.000 0.196 957 E C 1.505 178.145 176.600 0.067 0.000 1.066 957 E CA 0.608 57.053 56.400 0.075 0.000 0.871 957 E CB 0.087 29.861 29.700 0.123 0.000 0.863 957 E HN 0.551 nan 8.360 nan 0.000 0.520 958 L N 0.834 122.080 121.223 0.039 0.000 2.693 958 L HA 0.363 4.703 4.340 -0.000 0.000 0.235 958 L C 0.609 177.486 176.870 0.012 0.000 1.127 958 L CA -0.164 54.685 54.840 0.015 0.000 0.914 958 L CB 0.377 42.436 42.059 0.000 0.000 1.193 958 L HN 0.009 nan 8.230 nan 0.000 0.502 959 I N 0.909 121.498 120.570 0.033 0.000 2.312 959 I HA 0.349 4.519 4.170 -0.000 0.000 0.290 959 I C 0.410 176.562 176.117 0.060 0.000 1.008 959 I CA -0.317 61.012 61.300 0.049 0.000 1.226 959 I CB 1.427 39.456 38.000 0.049 0.000 1.371 959 I HN -0.050 nan 8.210 nan 0.000 0.468 960 A N 6.318 129.192 122.820 0.090 0.000 2.309 960 A HA 0.410 4.730 4.320 -0.000 0.000 0.298 960 A C 0.779 178.420 177.584 0.096 0.000 1.165 960 A CA -0.547 51.555 52.037 0.107 0.000 0.821 960 A CB 0.599 19.713 19.000 0.189 0.000 1.102 960 A HN 0.817 nan 8.150 nan 0.000 0.500 961 K N 0.636 121.078 120.400 0.070 0.000 2.361 961 K HA 0.016 4.336 4.320 -0.000 0.000 0.196 961 K C -0.138 176.489 176.600 0.045 0.000 1.039 961 K CA 1.126 57.444 56.287 0.052 0.000 1.001 961 K CB -0.040 32.483 32.500 0.039 0.000 0.795 961 K HN 0.921 nan 8.250 nan 0.000 0.495 962 N N -2.061 116.672 118.700 0.055 0.000 3.106 962 N HA 0.179 4.919 4.740 -0.000 0.000 0.253 962 N C -0.069 175.470 175.510 0.050 0.000 1.506 962 N CA -0.940 52.130 53.050 0.034 0.000 0.876 962 N CB 0.644 39.142 38.487 0.018 0.000 1.452 962 N HN -0.349 nan 8.380 nan 0.000 0.542 963 R N -0.918 119.582 120.500 0.001 0.000 2.096 963 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 963 R C 1.353 177.686 176.300 0.056 0.000 1.127 963 R CA 1.558 57.648 56.100 -0.016 0.000 0.968 963 R CB -0.346 29.904 30.300 -0.083 0.000 0.861 963 R HN 0.620 nan 8.270 nan 0.000 0.440 964 Q N 1.213 121.037 119.800 0.040 0.000 2.079 964 Q HA -0.180 4.160 4.340 -0.000 0.000 0.200 964 Q C 1.803 177.846 176.000 0.073 0.000 0.974 964 Q CA 1.805 57.636 55.803 0.047 0.000 0.840 964 Q CB -0.062 28.690 28.738 0.024 0.000 0.898 964 Q HN 0.362 nan 8.270 nan 0.000 0.430 965 E N -1.457 118.789 120.200 0.077 0.000 2.072 965 E HA -0.227 4.123 4.350 -0.000 0.000 0.191 965 E C 1.779 178.445 176.600 0.109 0.000 0.985 965 E CA 0.953 57.398 56.400 0.075 0.000 0.801 965 E CB -0.322 29.417 29.700 0.065 0.000 0.750 965 E HN 0.545 nan 8.360 nan 0.000 0.452 966 Y N 1.599 121.909 120.300 0.017 0.000 2.030 966 Y HA -0.276 4.274 4.550 -0.000 0.000 0.274 966 Y C 2.053 177.970 175.900 0.029 0.000 1.153 966 Y CA 2.453 60.570 58.100 0.029 0.000 1.115 966 Y CB -0.084 38.390 38.460 0.024 0.000 0.969 966 Y HN 0.084 nan 8.280 nan 0.000 0.488 967 E N -0.226 120.160 120.200 0.309 0.000 2.097 967 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 967 E C 1.779 178.418 176.600 0.065 0.000 1.000 967 E CA 1.423 57.931 56.400 0.180 0.000 0.804 967 E CB -0.203 29.575 29.700 0.130 0.000 0.740 967 E HN 0.568 nan 8.360 nan 0.000 0.454 968 D N 0.549 120.981 120.400 0.053 0.000 2.117 968 D HA -0.113 4.527 4.640 -0.000 0.000 0.198 968 D C 2.026 178.333 176.300 0.010 0.000 0.982 968 D CA 0.814 54.828 54.000 0.024 0.000 0.828 968 D CB -0.179 40.631 40.800 0.018 0.000 0.967 968 D HN 0.187 nan 8.370 nan 0.000 0.464 969 I N 1.177 121.746 120.570 -0.002 0.000 2.163 969 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 969 I C 2.489 178.619 176.117 0.021 0.000 1.085 969 I CA 1.136 62.439 61.300 0.005 0.000 1.347 969 I CB -0.285 37.699 38.000 -0.026 0.000 1.044 969 I HN -0.077 nan 8.210 nan 0.000 0.408 970 A N 0.372 123.164 122.820 -0.048 0.000 1.933 970 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 970 A C 2.428 180.080 177.584 0.112 0.000 1.175 970 A CA 1.645 53.683 52.037 0.000 0.000 0.628 970 A CB -0.903 17.995 19.000 -0.170 0.000 0.814 970 A HN 0.255 nan 8.150 nan 0.000 0.444 971 V N 0.065 120.016 119.914 0.061 0.000 2.515 971 V HA -0.225 3.895 4.120 -0.000 0.000 0.250 971 V C 2.499 178.651 176.094 0.096 0.000 1.058 971 V CA 2.260 64.613 62.300 0.087 0.000 1.064 971 V CB -0.561 31.291 31.823 0.047 0.000 0.675 971 V HN 0.680 nan 8.190 nan 0.000 0.461 972 K N 0.058 120.503 120.400 0.074 0.000 2.025 972 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 972 K C 2.108 178.807 176.600 0.165 0.000 1.049 972 K CA 1.459 57.784 56.287 0.063 0.000 0.933 972 K CB -0.200 32.282 32.500 -0.031 0.000 0.714 972 K HN 0.380 nan 8.250 nan 0.000 0.438 973 L N -0.085 121.270 121.223 0.220 0.000 2.191 973 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 973 L C 2.362 179.294 176.870 0.103 0.000 1.103 973 L CA 1.260 56.216 54.840 0.193 0.000 0.769 973 L CB -0.358 41.781 42.059 0.132 0.000 0.908 973 L HN 0.419 nan 8.230 nan 0.000 0.438 974 G N -1.313 107.569 108.800 0.136 0.000 2.603 974 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.214 974 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.214 974 G C 1.629 176.566 174.900 0.062 0.000 1.140 974 G CA 0.944 46.096 45.100 0.088 0.000 0.800 974 G HN 0.425 nan 8.290 nan 0.000 0.533 975 T N -3.152 111.448 114.554 0.075 0.000 3.018 975 T HA 0.105 4.455 4.350 -0.000 0.000 0.246 975 T C 0.603 175.329 174.700 0.044 0.000 1.026 975 T CA 0.403 62.533 62.100 0.051 0.000 1.081 975 T CB 0.348 69.243 68.868 0.045 0.000 0.970 975 T HN 0.011 nan 8.240 nan 0.000 0.475 976 D N 1.368 121.808 120.400 0.065 0.000 2.479 976 D HA 0.285 4.925 4.640 -0.000 0.000 0.218 976 D C 1.170 177.526 176.300 0.093 0.000 1.131 976 D CA -0.486 53.558 54.000 0.073 0.000 0.916 976 D CB 0.386 41.231 40.800 0.076 0.000 1.022 976 D HN 0.280 nan 8.370 nan 0.000 0.515 977 L N 2.358 123.611 121.223 0.049 0.000 2.131 977 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 977 L C 1.883 178.768 176.870 0.024 0.000 1.092 977 L CA 0.969 55.826 54.840 0.027 0.000 0.759 977 L CB -0.107 41.957 42.059 0.009 0.000 0.903 977 L HN 0.321 nan 8.230 nan 0.000 0.435 978 E N -0.747 119.477 120.200 0.040 0.000 2.150 978 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 978 E C 1.921 178.562 176.600 0.067 0.000 0.985 978 E CA 1.113 57.533 56.400 0.034 0.000 0.814 978 E CB -0.177 29.544 29.700 0.035 0.000 0.752 978 E HN 0.411 nan 8.360 nan 0.000 0.466 979 Y N 0.783 121.072 120.300 -0.018 0.000 2.220 979 Y HA -0.137 4.413 4.550 -0.000 0.000 0.291 979 Y C 1.995 177.885 175.900 -0.017 0.000 1.129 979 Y CA 0.900 58.991 58.100 -0.014 0.000 1.161 979 Y CB -0.196 38.259 38.460 -0.009 0.000 0.997 979 Y HN 0.079 nan 8.280 nan 0.000 0.522 980 L N 1.317 122.508 121.223 -0.054 0.000 2.042 980 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 980 L C 2.410 179.186 176.870 -0.158 0.000 1.076 980 L CA 2.348 57.106 54.840 -0.137 0.000 0.749 980 L CB -1.011 41.016 42.059 -0.052 0.000 0.893 980 L HN 0.289 nan 8.230 nan 0.000 0.432 981 K N -0.299 120.038 120.400 -0.104 0.000 2.057 981 K HA -0.246 4.074 4.320 -0.000 0.000 0.206 981 K C 2.314 178.847 176.600 -0.113 0.000 1.050 981 K CA 1.690 57.917 56.287 -0.099 0.000 0.935 981 K CB -0.228 32.230 32.500 -0.071 0.000 0.715 981 K HN 0.414 nan 8.250 nan 0.000 0.439 982 K N 0.399 120.724 120.400 -0.125 0.000 2.097 982 K HA -0.083 4.237 4.320 -0.000 0.000 0.205 982 K C 1.714 178.216 176.600 -0.164 0.000 1.050 982 K CA 1.282 57.498 56.287 -0.118 0.000 0.938 982 K CB 0.144 32.595 32.500 -0.082 0.000 0.718 982 K HN 0.043 nan 8.250 nan 0.000 0.442 983 V N 1.331 121.074 119.914 -0.285 0.000 2.488 983 V HA -0.096 4.024 4.120 -0.000 0.000 0.246 983 V C 2.378 178.386 176.094 -0.143 0.000 1.046 983 V CA 1.385 63.522 62.300 -0.272 0.000 1.053 983 V CB -0.447 31.107 31.823 -0.449 0.000 0.679 983 V HN 0.319 nan 8.190 nan 0.000 0.458 984 R N 0.362 120.783 120.500 -0.131 0.000 2.081 984 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 984 R C 2.433 178.725 176.300 -0.014 0.000 1.131 984 R CA 1.521 57.577 56.100 -0.072 0.000 0.960 984 R CB -0.782 29.459 30.300 -0.098 0.000 0.856 984 R HN 0.581 nan 8.270 nan 0.000 0.436 985 G N 0.933 109.711 108.800 -0.036 0.000 2.432 985 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 985 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 985 G C 1.341 176.282 174.900 0.069 0.000 1.135 985 G CA 0.458 45.571 45.100 0.021 0.000 0.767 985 G HN 0.246 nan 8.290 nan 0.000 0.550 986 K N -0.044 120.365 120.400 0.015 0.000 2.025 986 K HA -0.010 4.310 4.320 -0.000 0.000 0.207 986 K C 2.582 179.204 176.600 0.037 0.000 1.049 986 K CA 1.080 57.376 56.287 0.016 0.000 0.933 986 K CB -0.173 32.316 32.500 -0.019 0.000 0.714 986 K HN 0.178 nan 8.250 nan 0.000 0.438 987 V N 0.771 120.710 119.914 0.041 0.000 2.343 987 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 987 V C 2.021 178.157 176.094 0.069 0.000 1.051 987 V CA 1.744 64.076 62.300 0.053 0.000 1.036 987 V CB -0.666 31.185 31.823 0.048 0.000 0.654 987 V HN 0.565 nan 8.190 nan 0.000 0.451 988 W N 1.688 122.927 121.300 -0.101 0.000 2.335 988 W HA -0.265 4.395 4.660 -0.000 0.000 0.311 988 W C 2.535 178.975 176.519 -0.131 0.000 1.213 988 W CA 2.517 59.776 57.345 -0.143 0.000 1.274 988 W CB -0.034 29.347 29.460 -0.132 0.000 1.148 988 W HN 0.293 nan 8.180 nan 0.000 0.498 989 K N 0.476 120.891 120.400 0.026 0.000 2.076 989 K HA -0.188 4.132 4.320 -0.000 0.000 0.204 989 K C 1.990 178.538 176.600 -0.086 0.000 1.051 989 K CA 1.574 57.825 56.287 -0.060 0.000 0.949 989 K CB -0.525 31.995 32.500 0.034 0.000 0.726 989 K HN 0.174 nan 8.250 nan 0.000 0.443 990 Q N 0.329 120.111 119.800 -0.030 0.000 2.432 990 Q HA -0.036 4.304 4.340 -0.000 0.000 0.205 990 Q C 1.802 177.825 176.000 0.039 0.000 0.945 990 Q CA 0.474 56.278 55.803 0.003 0.000 0.924 990 Q CB 0.196 28.947 28.738 0.021 0.000 1.016 990 Q HN 0.373 nan 8.270 nan 0.000 0.503 991 R N 0.148 120.650 120.500 0.004 0.000 2.237 991 R HA -0.062 4.278 4.340 -0.000 0.000 0.219 991 R C 1.236 177.634 176.300 0.163 0.000 1.080 991 R CA 0.910 57.094 56.100 0.141 0.000 0.995 991 R CB 0.073 30.313 30.300 -0.100 0.000 0.875 991 R HN 0.172 nan 8.270 nan 0.000 0.462 992 I N 1.272 121.834 120.570 -0.013 0.000 2.947 992 I HA -0.045 4.125 4.170 -0.000 0.000 0.263 992 I C 2.275 178.422 176.117 0.049 0.000 1.130 992 I CA 1.085 62.396 61.300 0.018 0.000 1.448 992 I CB -0.643 37.288 38.000 -0.115 0.000 1.222 992 I HN 0.253 nan 8.210 nan 0.000 0.453 993 S N 0.743 116.451 115.700 0.015 0.000 2.461 993 S HA 0.006 4.476 4.470 -0.000 0.000 0.228 993 S C 1.245 175.856 174.600 0.019 0.000 1.005 993 S CA 0.128 58.337 58.200 0.015 0.000 0.942 993 S CB -0.596 62.605 63.200 0.002 0.000 0.776 993 S HN 0.467 nan 8.310 nan 0.000 0.514 994 S N 1.988 117.706 115.700 0.030 0.000 2.645 994 S HA 0.449 4.919 4.470 -0.000 0.000 0.266 994 S C -2.166 172.430 174.600 -0.006 0.000 1.258 994 S CA -1.201 56.996 58.200 -0.005 0.000 0.990 994 S CB 0.570 63.769 63.200 -0.002 0.000 0.967 994 S HN 0.040 nan 8.310 nan 0.000 0.556 995 P HA 0.028 nan 4.420 nan 0.000 0.230 995 P C 1.461 178.741 177.300 -0.033 0.000 1.158 995 P CA 0.037 63.085 63.100 -0.087 0.000 0.769 995 P CB -0.067 31.468 31.700 -0.274 0.000 0.807 996 L N -0.650 120.535 121.223 -0.063 0.000 2.010 996 L HA -0.171 4.169 4.340 -0.000 0.000 0.219 996 L C 1.491 178.154 176.870 -0.344 0.000 1.077 996 L CA 2.111 56.822 54.840 -0.216 0.000 0.773 996 L CB -1.324 40.557 42.059 -0.296 0.000 0.892 996 L HN -0.068 nan 8.230 nan 0.000 0.436 997 F N -1.377 118.592 119.950 0.031 0.000 2.639 997 F HA 0.256 4.783 4.527 -0.000 0.000 0.300 997 F C 0.855 176.649 175.800 -0.009 0.000 1.109 997 F CA -0.411 57.587 58.000 -0.005 0.000 1.335 997 F CB -0.455 38.554 39.000 0.015 0.000 1.014 997 F HN 0.084 nan 8.300 nan 0.000 0.537 998 N N 1.109 119.887 118.700 0.130 0.000 2.602 998 N HA 0.004 4.744 4.740 -0.000 0.000 0.238 998 N C 1.230 176.794 175.510 0.089 0.000 1.084 998 N CA 0.274 53.385 53.050 0.102 0.000 0.952 998 N CB 0.726 39.264 38.487 0.085 0.000 1.244 998 N HN 0.229 nan 8.380 nan 0.000 0.512 999 T N 0.582 115.172 114.554 0.059 0.000 2.867 999 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 999 T C 1.724 176.467 174.700 0.070 0.000 1.057 999 T CA 0.934 63.064 62.100 0.050 0.000 1.136 999 T CB 0.133 69.000 68.868 -0.001 0.000 0.874 999 T HN 0.229 nan 8.240 nan 0.000 0.466 1000 K N 1.535 121.961 120.400 0.044 0.000 2.025 1000 K HA -0.035 4.285 4.320 -0.000 0.000 0.207 1000 K C 2.527 179.144 176.600 0.028 0.000 1.049 1000 K CA 1.548 57.848 56.287 0.022 0.000 0.933 1000 K CB -0.621 31.889 32.500 0.017 0.000 0.714 1000 K HN 0.552 nan 8.250 nan 0.000 0.438 1001 Q N -1.186 118.646 119.800 0.053 0.000 2.124 1001 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 1001 Q C 1.943 177.976 176.000 0.056 0.000 0.977 1001 Q CA 1.609 57.443 55.803 0.050 0.000 0.850 1001 Q CB -0.285 28.489 28.738 0.060 0.000 0.901 1001 Q HN 0.490 nan 8.270 nan 0.000 0.429 1002 Y N 0.932 121.219 120.300 -0.021 0.000 2.089 1002 Y HA -0.234 4.316 4.550 -0.000 0.000 0.282 1002 Y C 2.338 178.184 175.900 -0.090 0.000 1.139 1002 Y CA 2.334 60.419 58.100 -0.025 0.000 1.123 1002 Y CB -0.553 37.903 38.460 -0.008 0.000 0.980 1002 Y HN 0.087 nan 8.280 nan 0.000 0.493 1003 T N 1.053 115.645 114.554 0.063 0.000 2.737 1003 T HA -0.277 4.073 4.350 -0.000 0.000 0.269 1003 T C 1.855 176.384 174.700 -0.284 0.000 1.040 1003 T CA 2.100 64.098 62.100 -0.170 0.000 1.142 1003 T CB -0.344 68.389 68.868 -0.225 0.000 0.861 1003 T HN 0.390 nan 8.240 nan 0.000 0.456 1004 M N 0.470 119.967 119.600 -0.172 0.000 2.175 1004 M HA -0.040 4.440 4.480 -0.000 0.000 0.264 1004 M C 2.443 178.645 176.300 -0.165 0.000 1.063 1004 M CA 1.192 56.410 55.300 -0.136 0.000 1.119 1004 M CB -0.235 32.334 32.600 -0.052 0.000 1.377 1004 M HN 0.095 nan 8.290 nan 0.000 0.415 1005 E N 0.513 120.593 120.200 -0.200 0.000 2.077 1005 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 1005 E C 2.020 178.412 176.600 -0.347 0.000 0.989 1005 E CA 1.135 57.400 56.400 -0.226 0.000 0.800 1005 E CB -0.501 29.061 29.700 -0.229 0.000 0.746 1005 E HN 0.355 nan 8.360 nan 0.000 0.452 1006 L N 1.771 122.680 121.223 -0.523 0.000 2.083 1006 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 1006 L C 1.955 178.359 176.870 -0.777 0.000 1.083 1006 L CA 1.703 56.117 54.840 -0.710 0.000 0.752 1006 L CB -0.264 41.343 42.059 -0.754 0.000 0.899 1006 L HN 0.031 nan 8.230 nan 0.000 0.433 1007 E N -0.708 119.183 120.200 -0.515 0.000 2.051 1007 E HA -0.274 4.076 4.350 -0.000 0.000 0.192 1007 E C 2.288 178.899 176.600 0.019 0.000 0.991 1007 E CA 1.250 57.443 56.400 -0.344 0.000 0.799 1007 E CB -0.258 29.238 29.700 -0.340 0.000 0.748 1007 E HN 0.420 nan 8.360 nan 0.000 0.449 1008 R N 0.802 121.286 120.500 -0.027 0.000 2.105 1008 R HA -0.195 4.145 4.340 -0.000 0.000 0.239 1008 R C 2.341 178.650 176.300 0.015 0.000 1.135 1008 R CA 1.076 57.197 56.100 0.035 0.000 0.967 1008 R CB -0.211 30.085 30.300 -0.007 0.000 0.861 1008 R HN 0.133 nan 8.270 nan 0.000 0.442 1009 L N 0.040 121.203 121.223 -0.101 0.000 2.056 1009 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 1009 L C 1.778 178.655 176.870 0.012 0.000 1.078 1009 L CA 1.645 56.422 54.840 -0.105 0.000 0.749 1009 L CB -0.717 41.211 42.059 -0.218 0.000 0.901 1009 L HN 0.153 nan 8.230 nan 0.000 0.433 1010 Y N -0.139 120.163 120.300 0.003 0.000 2.114 1010 Y HA -0.256 4.294 4.550 -0.000 0.000 0.282 1010 Y C 2.555 178.541 175.900 0.144 0.000 1.165 1010 Y CA 1.401 59.541 58.100 0.066 0.000 1.148 1010 Y CB -1.006 37.561 38.460 0.180 0.000 0.972 1010 Y HN 0.148 nan 8.280 nan 0.000 0.504 1011 L N -0.609 120.836 121.223 0.370 0.000 2.083 1011 L HA -0.255 4.085 4.340 -0.000 0.000 0.209 1011 L C 2.492 179.497 176.870 0.225 0.000 1.083 1011 L CA 1.313 56.324 54.840 0.285 0.000 0.752 1011 L CB -0.651 41.542 42.059 0.225 0.000 0.899 1011 L HN 0.280 nan 8.230 nan 0.000 0.433 1012 Q N -0.223 119.664 119.800 0.145 0.000 2.061 1012 Q HA -0.245 4.095 4.340 -0.000 0.000 0.204 1012 Q C 2.387 178.444 176.000 0.096 0.000 0.984 1012 Q CA 1.805 57.660 55.803 0.086 0.000 0.846 1012 Q CB -0.039 28.707 28.738 0.014 0.000 0.902 1012 Q HN 0.493 nan 8.270 nan 0.000 0.421 1013 M N -0.869 118.767 119.600 0.061 0.000 2.065 1013 M HA -0.243 4.237 4.480 -0.000 0.000 0.259 1013 M C 2.044 178.490 176.300 0.242 0.000 1.069 1013 M CA 1.604 56.925 55.300 0.036 0.000 1.110 1013 M CB -0.638 31.901 32.600 -0.102 0.000 1.328 1013 M HN 0.498 nan 8.290 nan 0.000 0.405 1014 W N 1.681 123.034 121.300 0.088 0.000 2.354 1014 W HA -0.191 4.469 4.660 -0.000 0.000 0.315 1014 W C 1.795 178.400 176.519 0.144 0.000 1.206 1014 W CA 1.373 58.783 57.345 0.108 0.000 1.290 1014 W CB -0.199 29.265 29.460 0.006 0.000 1.152 1014 W HN 0.192 nan 8.180 nan 0.000 0.489 1015 E N -0.284 119.961 120.200 0.075 0.000 2.267 1015 E HA -0.263 4.087 4.350 -0.000 0.000 0.197 1015 E C 1.665 178.225 176.600 -0.067 0.000 0.998 1015 E CA 1.650 58.020 56.400 -0.051 0.000 0.830 1015 E CB -0.757 28.985 29.700 0.070 0.000 0.751 1015 E HN 0.543 nan 8.360 nan 0.000 0.491 1016 H N -1.009 118.027 119.070 -0.057 0.000 2.436 1016 H HA -0.089 4.467 4.556 -0.000 0.000 0.294 1016 H C 1.825 177.120 175.328 -0.054 0.000 1.048 1016 H CA 1.333 57.367 56.048 -0.025 0.000 1.353 1016 H CB -0.083 29.714 29.762 0.058 0.000 1.414 1016 H HN 0.203 nan 8.280 nan 0.000 0.536 1017 Y N 0.025 120.197 120.300 -0.213 0.000 2.269 1017 Y HA 0.127 4.677 4.550 -0.000 0.000 0.294 1017 Y C 2.419 178.028 175.900 -0.485 0.000 1.120 1017 Y CA 1.187 59.105 58.100 -0.303 0.000 1.159 1017 Y CB -0.586 37.752 38.460 -0.202 0.000 1.024 1017 Y HN 0.222 nan 8.280 nan 0.000 0.532 1018 A N 0.691 123.015 122.820 -0.827 0.000 2.070 1018 A HA -0.006 4.314 4.320 -0.000 0.000 0.220 1018 A C 2.134 179.405 177.584 -0.523 0.000 1.159 1018 A CA 1.380 52.910 52.037 -0.845 0.000 0.656 1018 A CB -1.246 17.211 19.000 -0.905 0.000 0.800 1018 A HN 0.591 nan 8.150 nan 0.000 0.453 1019 A N -1.593 120.970 122.820 -0.428 0.000 2.238 1019 A HA 0.424 4.744 4.320 -0.000 0.000 0.208 1019 A C 1.607 178.997 177.584 -0.323 0.000 1.177 1019 A CA 1.044 52.898 52.037 -0.305 0.000 0.804 1019 A CB -0.959 17.902 19.000 -0.232 0.000 0.823 1019 A HN 1.850 nan 8.150 nan 0.000 0.482 1020 G N -0.608 107.936 108.800 -0.427 0.000 2.142 1020 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.225 1020 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.225 1020 G C -0.302 174.418 174.900 -0.301 0.000 1.015 1020 G CA 0.155 45.034 45.100 -0.367 0.000 0.716 1020 G HN 0.610 nan 8.290 nan 0.000 0.508 1021 N N -0.148 118.329 118.700 -0.372 0.000 2.430 1021 N HA 0.592 5.332 4.740 -0.000 0.000 0.298 1021 N C 0.128 175.566 175.510 -0.119 0.000 1.130 1021 N CA -0.694 52.163 53.050 -0.321 0.000 0.894 1021 N CB 1.137 39.206 38.487 -0.697 0.000 1.209 1021 N HN 0.237 nan 8.380 nan 0.000 0.503 1022 K N 1.076 121.480 120.400 0.007 0.000 2.126 1022 K HA 0.338 4.658 4.320 -0.000 0.000 0.257 1022 K C -2.308 174.402 176.600 0.183 0.000 1.007 1022 K CA -1.520 54.823 56.287 0.094 0.000 0.928 1022 K CB 0.326 32.855 32.500 0.047 0.000 1.013 1022 K HN 0.341 nan 8.250 nan 0.000 0.473 1023 P HA -0.103 nan 4.420 nan 0.000 0.263 1023 P C -1.056 176.183 177.300 -0.102 0.000 1.168 1023 P CA 0.674 63.728 63.100 -0.076 0.000 0.759 1023 P CB 0.407 31.808 31.700 -0.498 0.000 0.782 1024 D N 0.068 120.411 120.400 -0.094 0.000 2.609 1024 D HA 0.209 4.849 4.640 -0.000 0.000 0.239 1024 D C -1.050 175.190 176.300 -0.101 0.000 1.229 1024 D CA -0.590 53.333 54.000 -0.128 0.000 0.808 1024 D CB 0.658 41.451 40.800 -0.012 0.000 1.448 1024 D HN 0.325 nan 8.370 nan 0.000 0.433 1025 H N 1.509 120.549 119.070 -0.050 0.000 3.192 1025 H HA 0.113 4.669 4.556 -0.000 0.000 0.295 1025 H C 0.193 175.449 175.328 -0.119 0.000 0.943 1025 H CA 0.632 56.630 56.048 -0.083 0.000 1.416 1025 H CB 0.320 30.001 29.762 -0.134 0.000 1.434 1025 H HN 0.087 nan 8.280 nan 0.000 0.565 1026 M N 5.243 124.824 119.600 -0.031 0.000 2.754 1026 M HA 0.112 4.592 4.480 -0.000 0.000 0.327 1026 M C -0.397 175.808 176.300 -0.158 0.000 1.288 1026 M CA -0.155 55.087 55.300 -0.098 0.000 1.324 1026 M CB 0.212 32.740 32.600 -0.120 0.000 1.169 1026 M HN 0.542 nan 8.290 nan 0.000 0.494 1027 I N 2.086 122.562 120.570 -0.157 0.000 3.257 1027 I HA 0.201 4.371 4.170 -0.000 0.000 0.325 1027 I C 0.838 176.960 176.117 0.007 0.000 1.287 1027 I CA 0.101 61.316 61.300 -0.141 0.000 1.263 1027 I CB -1.356 36.549 38.000 -0.159 0.000 1.550 1027 I HN 0.713 nan 8.210 nan 0.000 0.505 1028 K N 0.000 120.407 120.400 0.012 0.000 2.780 1028 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1028 K CA 0.000 56.298 56.287 0.018 0.000 0.838 1028 K CB 0.000 32.523 32.500 0.038 0.000 1.064 1028 K HN 0.000 nan 8.250 nan 0.000 0.543