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 3bg3_1_D DATA FIRST_RESID 494 DATA SEQUENCE QNRAQKLLHY LGHVMVNGPT TPIPVKASPS PTDPVVPAVP IGPPPAGFRD DATA SEQUENCE ILLREGPEGF ARAVRNHPGL LLMDTTFRDA HQSLLATRVR THDLKKIAPY DATA SEQUENCE VAHNFSKLFS MENWGGATFD VAMRFLYECP WRRLQELREL IPNIPFQMLL DATA SEQUENCE RGANAVGYTN YPDNVVFKFC EVAKENGMDV FRVFDSLNYL PNMLLGMEAA DATA SEQUENCE GSAGGVVEAA ISYTGDVADP SRTKYSLQYY MGLAEELVRA GTHILCIXDM DATA SEQUENCE AGLLKPTACT MLVSSLRDRF PDLPLHIHTH DTSGAGVAAM LACAQAGADV DATA SEQUENCE VDVAADSMSG MTSQPSMGAL VACTRGTPLD TEVPMERVFD YSEYWEGARG DATA SEQUENCE LYAAFDCTAT MKSGNSDVYE NEIPGGQYTN LHFQAHSMGL GSKFKEVKKA DATA SEQUENCE YVEANQMLGD LIKVTPSSKI VGDLAQFMVQ NGLSRAEAEA QAEELSFPRS DATA SEQUENCE VVEFLQGYIG VPHGGFPEPF RSKVLKDLPR VEGRPGASLP PLDLQALEKE DATA SEQUENCE LVDRHGEEVT PEDVLSAAMY PDVFAHFKDF TATFGPLDSL NTRLFLQGPK DATA SEQUENCE IAEEFEVELE RGKTLHIKAL AVSDLNRAGQ RQVFFELNGQ LRSILVKDTQ DATA SEQUENCE AMKEXXXXXK ALKDVKGQIG APMPGKVIDI KVVAGAKVAK GQPLCVLSAM DATA SEQUENCE KMETVVTSPM EGTVRKVHVT KDMTLEGDDL ILEIE 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 494 Q HA 0.000 nan 4.340 nan 0.000 0.214 494 Q C 0.000 175.995 176.000 -0.008 0.000 1.003 494 Q CA 0.000 55.799 55.803 -0.007 0.000 1.022 494 Q CB 0.000 28.732 28.738 -0.009 0.000 1.108 495 N N 0.401 119.096 118.700 -0.009 0.000 2.348 495 N HA -0.240 4.500 4.740 -0.000 0.000 0.185 495 N C 1.345 176.848 175.510 -0.012 0.000 1.019 495 N CA 1.595 54.637 53.050 -0.012 0.000 0.880 495 N CB -0.005 38.469 38.487 -0.022 0.000 0.965 495 N HN 0.448 nan 8.380 nan 0.000 0.437 496 R N 0.079 120.572 120.500 -0.010 0.000 2.081 496 R HA 0.031 4.371 4.340 -0.000 0.000 0.235 496 R C 2.195 178.496 176.300 0.002 0.000 1.131 496 R CA 1.488 57.586 56.100 -0.004 0.000 0.960 496 R CB -0.415 29.884 30.300 -0.001 0.000 0.856 496 R HN 0.342 nan 8.270 nan 0.000 0.436 497 A N 0.709 123.524 122.820 -0.009 0.000 1.858 497 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 497 A C 2.035 179.607 177.584 -0.020 0.000 1.190 497 A CA 1.345 53.368 52.037 -0.023 0.000 0.617 497 A CB -0.551 18.427 19.000 -0.036 0.000 0.827 497 A HN 0.371 nan 8.150 nan 0.000 0.443 498 Q N -0.124 119.674 119.800 -0.004 0.000 2.112 498 Q HA -0.240 4.100 4.340 -0.000 0.000 0.206 498 Q C 2.019 178.060 176.000 0.067 0.000 0.987 498 Q CA 2.061 57.877 55.803 0.023 0.000 0.858 498 Q CB -0.360 28.393 28.738 0.025 0.000 0.905 498 Q HN 0.726 nan 8.270 nan 0.000 0.420 499 K N 0.290 120.721 120.400 0.052 0.000 2.057 499 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 499 K C 2.132 178.836 176.600 0.173 0.000 1.050 499 K CA 0.687 57.027 56.287 0.088 0.000 0.935 499 K CB -0.244 32.266 32.500 0.017 0.000 0.715 499 K HN 0.027 nan 8.250 nan 0.000 0.439 500 L N 1.378 122.660 121.223 0.098 0.000 1.989 500 L HA -0.187 4.152 4.340 -0.000 0.000 0.211 500 L C 1.796 178.724 176.870 0.096 0.000 1.071 500 L CA 1.692 56.592 54.840 0.099 0.000 0.749 500 L CB -0.396 41.690 42.059 0.044 0.000 0.890 500 L HN 0.176 nan 8.230 nan 0.000 0.431 501 L N -1.237 119.973 121.223 -0.021 0.000 2.131 501 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 501 L C 2.559 179.459 176.870 0.049 0.000 1.092 501 L CA 1.642 56.370 54.840 -0.186 0.000 0.759 501 L CB -0.756 41.106 42.059 -0.327 0.000 0.903 501 L HN 0.504 nan 8.230 nan 0.000 0.435 502 H N -1.194 117.934 119.070 0.098 0.000 2.326 502 H HA -0.258 4.298 4.556 -0.000 0.000 0.301 502 H C 2.192 177.631 175.328 0.184 0.000 1.081 502 H CA 2.077 58.238 56.048 0.189 0.000 1.334 502 H CB -0.054 29.846 29.762 0.230 0.000 1.385 502 H HN 0.257 nan 8.280 nan 0.000 0.504 503 Y N 0.761 121.133 120.300 0.121 0.000 2.070 503 Y HA -0.272 4.277 4.550 -0.000 0.000 0.280 503 Y C 2.178 177.980 175.900 -0.163 0.000 1.148 503 Y CA 1.993 59.848 58.100 -0.408 0.000 1.125 503 Y CB -0.560 37.599 38.460 -0.503 0.000 0.975 503 Y HN 0.181 nan 8.280 nan 0.000 0.492 504 L N -0.309 120.911 121.223 -0.006 0.000 2.012 504 L HA -0.221 4.118 4.340 -0.000 0.000 0.210 504 L C 2.755 179.637 176.870 0.021 0.000 1.073 504 L CA 1.431 56.260 54.840 -0.018 0.000 0.748 504 L CB -1.367 40.778 42.059 0.143 0.000 0.891 504 L HN 0.463 nan 8.230 nan 0.000 0.431 505 G N -1.541 107.348 108.800 0.147 0.000 2.442 505 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.219 505 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.219 505 G C 1.515 176.378 174.900 -0.061 0.000 1.141 505 G CA 0.776 45.937 45.100 0.102 0.000 0.763 505 G HN 0.429 nan 8.290 nan 0.000 0.554 506 H N 0.160 119.106 119.070 -0.208 0.000 2.293 506 H HA -0.037 4.519 4.556 -0.000 0.000 0.300 506 H C 2.723 177.890 175.328 -0.268 0.000 1.082 506 H CA 1.684 57.601 56.048 -0.219 0.000 1.308 506 H CB -0.110 29.527 29.762 -0.208 0.000 1.375 506 H HN 0.163 nan 8.280 nan 0.000 0.495 507 V N 1.399 121.094 119.914 -0.366 0.000 2.332 507 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 507 V C 2.920 178.863 176.094 -0.251 0.000 1.055 507 V CA 1.959 64.032 62.300 -0.377 0.000 1.038 507 V CB -0.564 30.933 31.823 -0.543 0.000 0.651 507 V HN 0.413 nan 8.190 nan 0.000 0.450 508 M N -0.933 118.554 119.600 -0.188 0.000 2.082 508 M HA -0.202 4.278 4.480 -0.000 0.000 0.258 508 M C 2.119 178.334 176.300 -0.142 0.000 1.069 508 M CA 1.879 57.102 55.300 -0.128 0.000 1.102 508 M CB -0.461 32.094 32.600 -0.075 0.000 1.336 508 M HN 0.241 nan 8.290 nan 0.000 0.404 509 V N 0.104 119.914 119.914 -0.173 0.000 2.591 509 V HA -0.159 3.961 4.120 -0.000 0.000 0.249 509 V C 1.501 177.484 176.094 -0.184 0.000 1.053 509 V CA 1.387 63.588 62.300 -0.166 0.000 1.068 509 V CB -0.496 31.224 31.823 -0.172 0.000 0.689 509 V HN 0.474 nan 8.190 nan 0.000 0.462 510 N N -0.596 117.949 118.700 -0.258 0.000 2.197 510 N HA 0.280 5.020 4.740 -0.000 0.000 0.201 510 N C 0.860 176.271 175.510 -0.166 0.000 1.148 510 N CA 0.964 53.869 53.050 -0.241 0.000 0.883 510 N CB 1.407 39.654 38.487 -0.400 0.000 1.012 510 N HN 0.490 nan 8.380 nan 0.000 0.507 511 G N 1.721 110.426 108.800 -0.158 0.000 2.796 511 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.571 511 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.571 511 G C -2.763 172.068 174.900 -0.114 0.000 1.370 511 G CA -1.076 43.954 45.100 -0.117 0.000 0.856 511 G HN 0.012 nan 8.290 nan 0.000 0.538 512 P HA 0.127 nan 4.420 nan 0.000 0.269 512 P C 0.957 178.256 177.300 -0.000 0.000 1.200 512 P CA 1.022 64.091 63.100 -0.052 0.000 0.779 512 P CB 0.375 32.062 31.700 -0.021 0.000 0.841 513 T N -0.747 113.828 114.554 0.035 0.000 3.107 513 T HA 0.121 4.471 4.350 -0.000 0.000 0.249 513 T C 0.287 175.132 174.700 0.241 0.000 1.096 513 T CA 0.602 62.795 62.100 0.155 0.000 1.012 513 T CB -0.434 68.562 68.868 0.213 0.000 0.977 513 T HN 0.607 nan 8.240 nan 0.000 0.527 514 T N 0.735 115.421 114.554 0.220 0.000 2.887 514 T HA 0.577 4.927 4.350 -0.000 0.000 0.292 514 T C -3.003 171.805 174.700 0.179 0.000 1.087 514 T CA -1.699 60.562 62.100 0.268 0.000 1.009 514 T CB 1.464 70.550 68.868 0.363 0.000 1.203 514 T HN -0.198 nan 8.240 nan 0.000 0.518 515 P HA 0.262 nan 4.420 nan 0.000 0.249 515 P C -0.026 177.274 177.300 0.000 0.000 1.737 515 P CA -0.458 62.690 63.100 0.079 0.000 1.128 515 P CB -1.181 30.581 31.700 0.103 0.000 1.942 516 I N 0.842 121.394 120.570 -0.029 0.000 2.671 516 I HA 0.126 4.296 4.170 -0.000 0.000 0.285 516 I C -1.343 174.630 176.117 -0.240 0.000 1.148 516 I CA -1.394 59.798 61.300 -0.180 0.000 1.386 516 I CB -0.673 37.175 38.000 -0.253 0.000 1.406 516 I HN 0.009 nan 8.210 nan 0.000 0.540 517 P HA -0.204 nan 4.420 nan 0.000 0.206 517 P C 0.501 177.710 177.300 -0.151 0.000 1.142 517 P CA 0.932 63.794 63.100 -0.398 0.000 0.946 517 P CB -0.019 31.200 31.700 -0.802 0.000 0.777 518 V N -0.381 119.534 119.914 0.002 0.000 2.481 518 V HA 0.202 4.322 4.120 -0.000 0.000 0.286 518 V C -0.298 175.763 176.094 -0.055 0.000 1.042 518 V CA -0.822 61.534 62.300 0.094 0.000 0.928 518 V CB 1.046 33.004 31.823 0.225 0.000 0.986 518 V HN -0.017 nan 8.190 nan 0.000 0.462 519 K N 5.924 126.300 120.400 -0.040 0.000 2.167 519 K HA 0.648 4.967 4.320 -0.000 0.000 0.275 519 K C -0.240 176.321 176.600 -0.065 0.000 1.103 519 K CA 0.576 56.823 56.287 -0.065 0.000 0.963 519 K CB 0.576 33.049 32.500 -0.044 0.000 1.243 519 K HN 0.837 nan 8.250 nan 0.000 0.407 520 A N 1.189 123.954 122.820 -0.092 0.000 2.589 520 A HA 0.585 4.905 4.320 -0.000 0.000 0.296 520 A C -0.734 176.799 177.584 -0.086 0.000 1.062 520 A CA -0.886 51.106 52.037 -0.075 0.000 0.686 520 A CB 1.262 20.227 19.000 -0.058 0.000 1.282 520 A HN 0.382 nan 8.150 nan 0.000 0.404 521 S N 1.769 117.430 115.700 -0.065 0.000 2.601 521 S HA 0.589 5.059 4.470 -0.000 0.000 0.271 521 S C -2.520 172.045 174.600 -0.058 0.000 1.305 521 S CA -0.752 57.410 58.200 -0.064 0.000 1.022 521 S CB 0.460 63.627 63.200 -0.054 0.000 0.940 521 S HN 0.564 nan 8.310 nan 0.000 0.525 522 P HA 0.131 nan 4.420 nan 0.000 0.271 522 P C -0.256 177.009 177.300 -0.058 0.000 1.226 522 P CA -0.164 62.893 63.100 -0.072 0.000 0.765 522 P CB 0.371 32.010 31.700 -0.102 0.000 0.835 523 S N 5.234 120.906 115.700 -0.046 0.000 2.599 523 S HA -0.029 4.440 4.470 -0.000 0.000 0.303 523 S C -0.781 173.795 174.600 -0.041 0.000 1.267 523 S CA -0.681 57.496 58.200 -0.038 0.000 1.055 523 S CB -0.239 62.941 63.200 -0.033 0.000 0.790 523 S HN 0.352 nan 8.310 nan 0.000 0.500 524 P HA -0.027 nan 4.420 nan 0.000 0.218 524 P C 0.515 177.800 177.300 -0.025 0.000 1.148 524 P CA 0.987 64.070 63.100 -0.029 0.000 0.822 524 P CB -0.683 31.005 31.700 -0.021 0.000 0.784 525 T N -1.008 113.531 114.554 -0.025 0.000 2.909 525 T HA 0.266 4.616 4.350 -0.000 0.000 0.289 525 T C 0.056 174.738 174.700 -0.029 0.000 1.005 525 T CA -0.856 61.232 62.100 -0.020 0.000 1.084 525 T CB 0.752 69.609 68.868 -0.018 0.000 0.975 525 T HN -0.157 nan 8.240 nan 0.000 0.509 526 D N 2.798 123.188 120.400 -0.016 0.000 2.382 526 D HA 0.270 4.910 4.640 -0.000 0.000 0.240 526 D C -2.044 174.232 176.300 -0.040 0.000 1.146 526 D CA -1.128 52.863 54.000 -0.015 0.000 0.897 526 D CB 0.283 41.093 40.800 0.018 0.000 1.197 526 D HN 0.378 nan 8.370 nan 0.000 0.432 527 P HA 0.080 nan 4.420 nan 0.000 0.275 527 P C -0.607 176.691 177.300 -0.003 0.000 1.227 527 P CA -0.591 62.421 63.100 -0.147 0.000 0.781 527 P CB 0.632 32.074 31.700 -0.430 0.000 0.906 528 V N 1.592 121.518 119.914 0.020 0.000 2.432 528 V HA 0.304 4.424 4.120 -0.000 0.000 0.271 528 V C -0.211 175.965 176.094 0.137 0.000 1.046 528 V CA -0.475 61.864 62.300 0.066 0.000 0.945 528 V CB 0.814 32.657 31.823 0.035 0.000 0.992 528 V HN 0.177 nan 8.190 nan 0.000 0.471 529 V N 7.386 127.357 119.914 0.096 0.000 2.383 529 V HA 0.390 4.510 4.120 -0.000 0.000 0.275 529 V C -1.604 174.483 176.094 -0.012 0.000 1.036 529 V CA -1.158 61.152 62.300 0.017 0.000 0.889 529 V CB 0.757 32.576 31.823 -0.007 0.000 0.985 529 V HN 0.933 nan 8.190 nan 0.000 0.459 530 P HA 0.314 nan 4.420 nan 0.000 0.270 530 P C -0.114 177.225 177.300 0.064 0.000 1.223 530 P CA -0.190 62.900 63.100 -0.018 0.000 0.785 530 P CB 0.483 32.100 31.700 -0.138 0.000 0.923 531 A N 1.196 124.059 122.820 0.072 0.000 2.466 531 A HA 0.416 4.735 4.320 -0.000 0.000 0.238 531 A C -0.214 177.407 177.584 0.060 0.000 1.074 531 A CA -0.027 52.040 52.037 0.051 0.000 0.774 531 A CB 0.035 19.055 19.000 0.033 0.000 1.015 531 A HN 0.470 nan 8.150 nan 0.000 0.498 532 V N 3.809 123.706 119.914 -0.029 0.000 2.655 532 V HA 0.538 4.657 4.120 -0.000 0.000 0.301 532 V C -2.525 173.424 176.094 -0.242 0.000 1.082 532 V CA -1.642 60.560 62.300 -0.163 0.000 0.899 532 V CB 1.798 33.500 31.823 -0.203 0.000 1.014 532 V HN 0.976 nan 8.190 nan 0.000 0.429 533 P HA 0.238 nan 4.420 nan 0.000 0.265 533 P C -0.105 177.074 177.300 -0.201 0.000 1.187 533 P CA 0.211 63.199 63.100 -0.187 0.000 0.766 533 P CB 0.383 32.013 31.700 -0.117 0.000 0.820 534 I N 0.681 121.206 120.570 -0.075 0.000 2.696 534 I HA 0.474 4.644 4.170 -0.000 0.000 0.284 534 I C 1.333 177.476 176.117 0.043 0.000 1.129 534 I CA 0.347 61.634 61.300 -0.021 0.000 1.410 534 I CB -0.109 37.885 38.000 -0.009 0.000 1.399 534 I HN 0.744 nan 8.210 nan 0.000 0.579 535 G N 5.047 113.892 108.800 0.075 0.000 2.549 535 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.404 535 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.404 535 G C -2.981 171.995 174.900 0.127 0.000 1.292 535 G CA -0.998 44.151 45.100 0.081 0.000 0.935 535 G HN 0.595 nan 8.290 nan 0.000 0.512 536 P HA 0.409 nan 4.420 nan 0.000 0.278 536 P C -2.363 174.807 177.300 -0.217 0.000 1.238 536 P CA -1.018 62.039 63.100 -0.071 0.000 0.794 536 P CB 0.586 32.242 31.700 -0.073 0.000 0.955 537 P HA 0.261 nan 4.420 nan 0.000 0.272 537 P C -2.435 174.680 177.300 -0.308 0.000 1.240 537 P CA -1.378 61.282 63.100 -0.734 0.000 0.791 537 P CB -1.124 30.127 31.700 -0.749 0.000 0.978 538 P HA 0.068 nan 4.420 nan 0.000 0.268 538 P C -0.309 176.905 177.300 -0.144 0.000 1.208 538 P CA 0.153 63.166 63.100 -0.146 0.000 0.777 538 P CB 0.040 31.667 31.700 -0.123 0.000 0.875 539 A N 1.831 124.578 122.820 -0.122 0.000 2.462 539 A HA 0.535 4.855 4.320 -0.000 0.000 0.243 539 A C 0.804 178.307 177.584 -0.135 0.000 1.076 539 A CA 0.745 52.708 52.037 -0.122 0.000 0.773 539 A CB -0.383 18.550 19.000 -0.111 0.000 1.010 539 A HN 0.634 nan 8.150 nan 0.000 0.493 540 G N -0.319 108.403 108.800 -0.130 0.000 3.262 540 G HA2 0.497 4.457 3.960 -0.000 0.000 0.229 540 G HA3 0.497 4.457 3.960 -0.000 0.000 0.229 540 G C 0.177 174.981 174.900 -0.159 0.000 1.280 540 G CA -0.429 44.590 45.100 -0.135 0.000 0.951 540 G HN 0.458 nan 8.290 nan 0.000 0.589 541 F N -0.207 119.726 119.950 -0.028 0.000 2.186 541 F HA 0.023 4.550 4.527 -0.000 0.000 0.299 541 F C 2.874 178.621 175.800 -0.088 0.000 1.090 541 F CA 1.502 59.513 58.000 0.018 0.000 1.307 541 F CB 0.115 39.193 39.000 0.129 0.000 1.019 541 F HN 0.322 nan 8.300 nan 0.000 0.489 542 R N 0.936 121.426 120.500 -0.015 0.000 2.117 542 R HA -0.201 4.139 4.340 -0.000 0.000 0.243 542 R C 1.485 177.720 176.300 -0.109 0.000 1.143 542 R CA 2.234 58.248 56.100 -0.144 0.000 0.968 542 R CB -0.647 29.545 30.300 -0.179 0.000 0.863 542 R HN 0.216 nan 8.270 nan 0.000 0.444 543 D N -0.388 119.960 120.400 -0.086 0.000 2.097 543 D HA -0.136 4.503 4.640 -0.000 0.000 0.195 543 D C 1.668 177.938 176.300 -0.050 0.000 0.989 543 D CA 1.711 55.664 54.000 -0.079 0.000 0.827 543 D CB -0.069 40.677 40.800 -0.090 0.000 0.966 543 D HN 0.248 nan 8.370 nan 0.000 0.456 544 I N 0.183 120.739 120.570 -0.023 0.000 2.361 544 I HA -0.160 4.010 4.170 -0.000 0.000 0.251 544 I C 2.013 178.171 176.117 0.069 0.000 1.133 544 I CA 0.494 61.812 61.300 0.030 0.000 1.413 544 I CB -0.146 37.893 38.000 0.065 0.000 1.073 544 I HN 0.050 nan 8.210 nan 0.000 0.424 545 L N 0.186 121.435 121.223 0.044 0.000 2.093 545 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 545 L C 2.199 179.041 176.870 -0.048 0.000 1.085 545 L CA 1.789 56.615 54.840 -0.022 0.000 0.755 545 L CB -0.491 41.429 42.059 -0.231 0.000 0.904 545 L HN 0.151 nan 8.230 nan 0.000 0.435 546 L N -0.259 120.926 121.223 -0.063 0.000 2.046 546 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 546 L C 2.837 179.684 176.870 -0.039 0.000 1.077 546 L CA 1.793 56.595 54.840 -0.063 0.000 0.747 546 L CB -0.680 41.335 42.059 -0.074 0.000 0.896 546 L HN 0.425 nan 8.230 nan 0.000 0.432 547 R N -0.380 120.104 120.500 -0.027 0.000 2.057 547 R HA -0.022 4.318 4.340 -0.000 0.000 0.224 547 R C 1.911 178.208 176.300 -0.005 0.000 1.136 547 R CA 0.613 56.703 56.100 -0.017 0.000 0.968 547 R CB -0.402 29.888 30.300 -0.017 0.000 0.863 547 R HN 0.224 nan 8.270 nan 0.000 0.433 548 E N 1.095 121.301 120.200 0.009 0.000 2.051 548 E HA 0.107 4.456 4.350 -0.000 0.000 0.189 548 E C 1.030 177.639 176.600 0.015 0.000 0.979 548 E CA 1.202 57.614 56.400 0.021 0.000 0.803 548 E CB -0.140 29.586 29.700 0.044 0.000 0.761 548 E HN 0.553 nan 8.360 nan 0.000 0.451 549 G N 0.366 109.174 108.800 0.014 0.000 2.497 549 G HA2 -0.119 3.840 3.960 -0.000 0.000 0.686 549 G HA3 -0.119 3.840 3.960 -0.000 0.000 0.686 549 G C -2.414 172.479 174.900 -0.013 0.000 1.288 549 G CA -0.429 44.665 45.100 -0.011 0.000 0.899 549 G HN -0.143 nan 8.290 nan 0.000 0.608 550 P HA -0.082 nan 4.420 nan 0.000 0.216 550 P C 1.591 178.723 177.300 -0.280 0.000 1.154 550 P CA 2.112 65.099 63.100 -0.188 0.000 0.865 550 P CB 0.057 31.536 31.700 -0.367 0.000 0.789 551 E N -0.735 119.280 120.200 -0.310 0.000 2.051 551 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 551 E C 2.351 178.945 176.600 -0.010 0.000 0.991 551 E CA 1.548 57.866 56.400 -0.136 0.000 0.799 551 E CB -1.483 28.204 29.700 -0.021 0.000 0.748 551 E HN 0.223 nan 8.360 nan 0.000 0.449 552 G N 0.675 109.487 108.800 0.020 0.000 2.459 552 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.217 552 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.217 552 G C 1.491 176.456 174.900 0.109 0.000 1.183 552 G CA 0.816 45.952 45.100 0.061 0.000 0.776 552 G HN 0.320 nan 8.290 nan 0.000 0.552 553 F N 2.400 122.350 119.950 -0.000 0.000 2.091 553 F HA -0.105 4.422 4.527 -0.000 0.000 0.299 553 F C 2.845 178.685 175.800 0.066 0.000 1.103 553 F CA 1.943 59.968 58.000 0.042 0.000 1.228 553 F CB -0.202 38.789 39.000 -0.016 0.000 0.984 553 F HN 0.241 nan 8.300 nan 0.000 0.477 554 A N 0.623 123.333 122.820 -0.183 0.000 1.940 554 A HA -0.222 4.097 4.320 -0.000 0.000 0.219 554 A C 2.259 179.768 177.584 -0.126 0.000 1.176 554 A CA 1.879 53.792 52.037 -0.208 0.000 0.631 554 A CB -0.783 18.224 19.000 0.011 0.000 0.814 554 A HN 0.540 nan 8.150 nan 0.000 0.446 555 R N -0.782 119.692 120.500 -0.043 0.000 2.075 555 R HA -0.037 4.303 4.340 -0.000 0.000 0.232 555 R C 2.511 178.819 176.300 0.013 0.000 1.126 555 R CA 1.164 57.264 56.100 -0.001 0.000 0.963 555 R CB -0.438 29.877 30.300 0.025 0.000 0.858 555 R HN 0.507 nan 8.270 nan 0.000 0.435 556 A N 0.638 123.480 122.820 0.036 0.000 1.972 556 A HA -0.106 4.213 4.320 -0.000 0.000 0.219 556 A C 2.306 179.985 177.584 0.158 0.000 1.169 556 A CA 1.303 53.418 52.037 0.129 0.000 0.635 556 A CB -0.413 18.722 19.000 0.225 0.000 0.810 556 A HN 0.113 nan 8.150 nan 0.000 0.446 557 V N -0.001 119.883 119.914 -0.051 0.000 2.270 557 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 557 V C 2.633 178.718 176.094 -0.015 0.000 1.043 557 V CA 2.291 64.519 62.300 -0.120 0.000 1.014 557 V CB -0.824 30.788 31.823 -0.351 0.000 0.645 557 V HN 0.626 nan 8.190 nan 0.000 0.447 558 R N 1.411 121.892 120.500 -0.033 0.000 2.105 558 R HA -0.118 4.222 4.340 -0.000 0.000 0.239 558 R C 1.817 178.137 176.300 0.033 0.000 1.135 558 R CA 1.786 57.885 56.100 -0.003 0.000 0.967 558 R CB -0.628 29.672 30.300 -0.000 0.000 0.861 558 R HN 0.583 nan 8.270 nan 0.000 0.442 559 N N -0.203 118.529 118.700 0.053 0.000 2.463 559 N HA -0.119 4.620 4.740 -0.000 0.000 0.181 559 N C -0.219 175.337 175.510 0.076 0.000 1.078 559 N CA 0.286 53.368 53.050 0.054 0.000 0.902 559 N CB -0.231 38.283 38.487 0.045 0.000 0.970 559 N HN 0.316 nan 8.380 nan 0.000 0.451 560 H N 3.725 122.823 119.070 0.047 0.000 3.017 560 H HA 0.050 4.605 4.556 -0.000 0.000 0.276 560 H C -1.224 174.126 175.328 0.037 0.000 1.062 560 H CA -1.222 54.870 56.048 0.072 0.000 1.486 560 H CB 1.289 31.145 29.762 0.156 0.000 1.507 560 H HN 0.044 nan 8.280 nan 0.000 0.508 561 P HA -0.127 nan 4.420 nan 0.000 0.210 561 P C 0.915 178.213 177.300 -0.004 0.000 1.185 561 P CA 0.876 63.916 63.100 -0.099 0.000 0.924 561 P CB -0.142 31.468 31.700 -0.150 0.000 0.786 562 G N -0.143 108.659 108.800 0.003 0.000 2.611 562 G HA2 0.312 4.272 3.960 -0.000 0.000 0.273 562 G HA3 0.312 4.272 3.960 -0.000 0.000 0.273 562 G C -0.630 174.380 174.900 0.184 0.000 1.305 562 G CA -0.457 44.703 45.100 0.099 0.000 1.010 562 G HN 0.247 nan 8.290 nan 0.000 0.509 563 L N -0.411 120.874 121.223 0.105 0.000 2.380 563 L HA 0.432 4.772 4.340 -0.000 0.000 0.273 563 L C -0.008 176.879 176.870 0.028 0.000 1.138 563 L CA -0.044 54.821 54.840 0.043 0.000 0.832 563 L CB 0.506 42.568 42.059 0.005 0.000 1.124 563 L HN 0.279 nan 8.230 nan 0.000 0.454 564 L N 5.816 127.003 121.223 -0.060 0.000 2.344 564 L HA 0.520 4.860 4.340 -0.000 0.000 0.272 564 L C -0.604 176.185 176.870 -0.135 0.000 1.035 564 L CA -0.760 54.011 54.840 -0.114 0.000 0.807 564 L CB 1.597 43.533 42.059 -0.204 0.000 1.237 564 L HN 0.558 nan 8.230 nan 0.000 0.442 565 L N 2.355 123.538 121.223 -0.067 0.000 2.354 565 L HA 0.585 4.925 4.340 -0.000 0.000 0.269 565 L C -0.444 176.428 176.870 0.003 0.000 1.005 565 L CA -0.412 54.393 54.840 -0.057 0.000 0.819 565 L CB 2.301 44.349 42.059 -0.017 0.000 1.311 565 L HN 0.586 nan 8.230 nan 0.000 0.423 566 M N 1.804 121.413 119.600 0.016 0.000 2.404 566 M HA 0.355 4.834 4.480 -0.000 0.000 0.338 566 M C -1.211 175.114 176.300 0.041 0.000 1.150 566 M CA -0.455 54.916 55.300 0.118 0.000 1.016 566 M CB 1.815 34.578 32.600 0.271 0.000 1.672 566 M HN 0.517 nan 8.290 nan 0.000 0.448 567 D N 1.645 122.047 120.400 0.004 0.000 2.232 567 D HA 0.258 4.897 4.640 -0.000 0.000 0.242 567 D C 0.464 176.762 176.300 -0.004 0.000 1.093 567 D CA -0.167 53.816 54.000 -0.029 0.000 0.845 567 D CB 1.346 42.086 40.800 -0.100 0.000 1.124 567 D HN 0.688 nan 8.370 nan 0.000 0.467 568 T N -0.592 113.959 114.554 -0.004 0.000 3.054 568 T HA 0.039 4.389 4.350 -0.000 0.000 0.255 568 T C 1.572 176.254 174.700 -0.030 0.000 1.035 568 T CA -0.051 62.039 62.100 -0.016 0.000 0.941 568 T CB -0.073 68.775 68.868 -0.032 0.000 1.026 568 T HN 0.308 nan 8.240 nan 0.000 0.533 569 T N 2.201 116.746 114.554 -0.015 0.000 2.653 569 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 569 T C 1.077 175.755 174.700 -0.038 0.000 1.035 569 T CA 1.445 63.447 62.100 -0.163 0.000 1.154 569 T CB -0.622 68.111 68.868 -0.226 0.000 0.862 569 T HN 0.373 nan 8.240 nan 0.000 0.441 570 F N 0.846 120.762 119.950 -0.056 0.000 2.583 570 F HA 0.098 4.625 4.527 -0.000 0.000 0.297 570 F C 2.325 178.201 175.800 0.127 0.000 1.131 570 F CA 0.460 58.514 58.000 0.091 0.000 1.467 570 F CB -0.164 38.881 39.000 0.075 0.000 1.097 570 F HN -0.012 nan 8.300 nan 0.000 0.586 571 R N -0.588 119.943 120.500 0.052 0.000 4.650 571 R HA 0.053 4.392 4.340 -0.000 0.000 0.128 571 R C 1.631 177.655 176.300 -0.459 0.000 1.329 571 R CA 0.565 56.545 56.100 -0.200 0.000 0.975 571 R CB -0.856 29.410 30.300 -0.056 0.000 1.371 571 R HN -0.042 nan 8.270 nan 0.000 0.424 572 D N 1.201 121.462 120.400 -0.231 0.000 2.149 572 D HA 0.045 4.685 4.640 -0.000 0.000 0.201 572 D C 1.556 177.742 176.300 -0.189 0.000 0.972 572 D CA 1.327 55.225 54.000 -0.169 0.000 0.835 572 D CB 0.124 40.898 40.800 -0.043 0.000 0.966 572 D HN 0.361 nan 8.370 nan 0.000 0.476 573 A N 1.013 123.708 122.820 -0.208 0.000 1.873 573 A HA -0.231 4.088 4.320 -0.000 0.000 0.218 573 A C 2.121 179.592 177.584 -0.189 0.000 1.193 573 A CA 2.112 54.033 52.037 -0.194 0.000 0.629 573 A CB -1.252 17.602 19.000 -0.243 0.000 0.826 573 A HN 0.606 nan 8.150 nan 0.000 0.447 574 H N -1.312 117.622 119.070 -0.227 0.000 2.470 574 H HA -0.040 4.516 4.556 -0.000 0.000 0.289 574 H C 1.986 177.221 175.328 -0.156 0.000 1.033 574 H CA 1.233 57.145 56.048 -0.228 0.000 1.331 574 H CB -0.541 29.028 29.762 -0.321 0.000 1.414 574 H HN 0.660 nan 8.280 nan 0.000 0.545 575 Q N 1.384 120.904 119.800 -0.467 0.000 2.112 575 Q HA -0.136 4.204 4.340 -0.000 0.000 0.206 575 Q C 2.045 177.991 176.000 -0.090 0.000 0.987 575 Q CA 2.344 58.003 55.803 -0.240 0.000 0.858 575 Q CB 0.216 28.815 28.738 -0.232 0.000 0.905 575 Q HN 0.455 nan 8.270 nan 0.000 0.420 576 S N 0.181 115.841 115.700 -0.066 0.000 2.371 576 S HA 0.017 4.487 4.470 -0.000 0.000 0.221 576 S C 1.828 176.425 174.600 -0.006 0.000 1.036 576 S CA 0.647 58.839 58.200 -0.013 0.000 0.965 576 S CB -0.074 63.143 63.200 0.028 0.000 0.845 576 S HN 0.349 nan 8.310 nan 0.000 0.475 577 L N 0.476 121.685 121.223 -0.023 0.000 2.313 577 L HA 0.207 4.547 4.340 -0.000 0.000 0.214 577 L C 0.760 177.655 176.870 0.041 0.000 1.119 577 L CA 0.938 55.775 54.840 -0.006 0.000 0.809 577 L CB -0.086 41.952 42.059 -0.035 0.000 0.933 577 L HN 0.249 nan 8.230 nan 0.000 0.449 578 L N -0.863 120.382 121.223 0.036 0.000 3.431 578 L HA 0.343 4.682 4.340 -0.000 0.000 0.316 578 L C 0.840 177.714 176.870 0.007 0.000 1.305 578 L CA -0.193 54.683 54.840 0.060 0.000 0.995 578 L CB 0.581 42.612 42.059 -0.047 0.000 1.411 578 L HN 0.090 nan 8.230 nan 0.000 0.610 579 A N -0.241 122.592 122.820 0.021 0.000 2.798 579 A HA -0.294 4.026 4.320 -0.000 0.000 0.282 579 A C 1.140 178.648 177.584 -0.127 0.000 1.464 579 A CA 1.177 53.184 52.037 -0.051 0.000 0.844 579 A CB -2.096 16.867 19.000 -0.061 0.000 1.006 579 A HN 0.687 nan 8.150 nan 0.000 0.577 580 T N -2.710 111.812 114.554 -0.054 0.000 5.334 580 T HA -0.240 4.110 4.350 -0.000 0.000 0.288 580 T C 0.705 175.401 174.700 -0.006 0.000 1.733 580 T CA 1.492 63.622 62.100 0.049 0.000 2.925 580 T CB -1.146 67.701 68.868 -0.036 0.000 1.649 580 T HN 0.907 nan 8.240 nan 0.000 1.007 581 R N 0.320 120.659 120.500 -0.267 0.000 2.313 581 R HA 0.243 4.583 4.340 -0.000 0.000 0.199 581 R C 0.767 176.754 176.300 -0.522 0.000 0.958 581 R CA 0.010 55.844 56.100 -0.443 0.000 1.047 581 R CB -0.117 29.737 30.300 -0.743 0.000 0.955 581 R HN 0.456 nan 8.270 nan 0.000 0.481 582 V N 3.237 122.632 119.914 -0.866 0.000 2.450 582 V HA -0.014 4.106 4.120 -0.000 0.000 0.281 582 V C 1.022 176.874 176.094 -0.402 0.000 1.019 582 V CA 0.305 62.053 62.300 -0.919 0.000 1.062 582 V CB 0.082 31.204 31.823 -1.168 0.000 0.979 582 V HN 0.113 nan 8.190 nan 0.000 0.477 583 R N 3.204 123.659 120.500 -0.075 0.000 2.582 583 R HA 0.199 4.538 4.340 -0.000 0.000 0.271 583 R C 1.522 177.803 176.300 -0.031 0.000 1.078 583 R CA -0.174 55.885 56.100 -0.069 0.000 1.127 583 R CB 0.457 30.714 30.300 -0.071 0.000 1.038 583 R HN 0.749 nan 8.270 nan 0.000 0.500 584 T N 1.050 115.591 114.554 -0.022 0.000 2.653 584 T HA -0.271 4.078 4.350 -0.000 0.000 0.268 584 T C 1.647 176.382 174.700 0.057 0.000 1.035 584 T CA 1.628 63.745 62.100 0.027 0.000 1.154 584 T CB -0.444 68.452 68.868 0.047 0.000 0.862 584 T HN 0.588 nan 8.240 nan 0.000 0.441 585 H N 1.532 120.593 119.070 -0.014 0.000 2.289 585 H HA -0.154 4.402 4.556 -0.000 0.000 0.294 585 H C 1.748 177.084 175.328 0.013 0.000 1.095 585 H CA 2.124 58.176 56.048 0.007 0.000 1.256 585 H CB -0.294 29.467 29.762 -0.001 0.000 1.359 585 H HN 0.290 nan 8.280 nan 0.000 0.487 586 D N 0.270 120.774 120.400 0.173 0.000 2.219 586 D HA -0.069 4.570 4.640 -0.000 0.000 0.205 586 D C 2.597 178.876 176.300 -0.035 0.000 0.970 586 D CA 0.508 54.578 54.000 0.115 0.000 0.851 586 D CB -0.045 40.842 40.800 0.144 0.000 0.943 586 D HN 0.417 nan 8.370 nan 0.000 0.488 587 L N 0.388 121.559 121.223 -0.086 0.000 2.131 587 L HA -0.033 4.307 4.340 -0.000 0.000 0.206 587 L C 2.341 179.203 176.870 -0.014 0.000 1.087 587 L CA 0.746 55.449 54.840 -0.229 0.000 0.767 587 L CB -0.168 41.753 42.059 -0.230 0.000 0.917 587 L HN -0.123 nan 8.230 nan 0.000 0.441 588 K N 0.150 120.553 120.400 0.006 0.000 2.147 588 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 588 K C 2.091 178.677 176.600 -0.023 0.000 1.049 588 K CA 0.866 57.170 56.287 0.028 0.000 0.936 588 K CB 0.010 32.497 32.500 -0.022 0.000 0.722 588 K HN 0.151 nan 8.250 nan 0.000 0.446 589 K N 0.584 120.917 120.400 -0.112 0.000 2.148 589 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 589 K C 1.809 178.268 176.600 -0.235 0.000 1.050 589 K CA 0.875 57.072 56.287 -0.151 0.000 0.942 589 K CB 0.007 32.446 32.500 -0.101 0.000 0.724 589 K HN 0.103 nan 8.250 nan 0.000 0.446 590 I N -0.100 120.280 120.570 -0.318 0.000 4.057 590 I HA 0.085 4.254 4.170 -0.000 0.000 0.334 590 I C 1.614 177.838 176.117 0.178 0.000 1.308 590 I CA 0.079 61.199 61.300 -0.301 0.000 1.125 590 I CB 0.173 37.677 38.000 -0.827 0.000 1.034 590 I HN -0.044 nan 8.210 nan 0.000 0.401 591 A N 1.826 124.794 122.820 0.246 0.000 1.892 591 A HA -0.104 4.215 4.320 -0.000 0.000 0.218 591 A C -0.120 177.594 177.584 0.218 0.000 1.188 591 A CA 2.083 54.306 52.037 0.309 0.000 0.631 591 A CB -2.061 17.109 19.000 0.284 0.000 0.822 591 A HN 0.347 nan 8.150 nan 0.000 0.447 592 P HA -0.162 nan 4.420 nan 0.000 0.216 592 P C 1.479 178.911 177.300 0.220 0.000 1.153 592 P CA 1.218 64.430 63.100 0.187 0.000 0.848 592 P CB -0.199 31.576 31.700 0.124 0.000 0.787 593 Y N 0.426 120.773 120.300 0.080 0.000 2.128 593 Y HA -0.227 4.323 4.550 -0.000 0.000 0.284 593 Y C 2.096 178.060 175.900 0.107 0.000 1.154 593 Y CA 1.415 59.556 58.100 0.069 0.000 1.149 593 Y CB -0.959 37.538 38.460 0.061 0.000 0.976 593 Y HN -0.291 nan 8.280 nan 0.000 0.505 594 V N 0.355 120.445 119.914 0.293 0.000 2.295 594 V HA -0.360 3.759 4.120 -0.000 0.000 0.246 594 V C 2.686 178.834 176.094 0.090 0.000 1.049 594 V CA 1.816 64.272 62.300 0.261 0.000 1.024 594 V CB -1.647 30.274 31.823 0.164 0.000 0.648 594 V HN 0.580 nan 8.190 nan 0.000 0.447 595 A N -1.025 121.838 122.820 0.071 0.000 1.892 595 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 595 A C 2.137 179.642 177.584 -0.131 0.000 1.188 595 A CA 2.206 54.235 52.037 -0.012 0.000 0.631 595 A CB -0.826 18.175 19.000 0.001 0.000 0.822 595 A HN 0.705 nan 8.150 nan 0.000 0.447 596 H N -1.180 117.781 119.070 -0.181 0.000 2.482 596 H HA 0.062 4.618 4.556 -0.000 0.000 0.286 596 H C 0.950 176.048 175.328 -0.383 0.000 1.017 596 H CA 1.196 57.096 56.048 -0.246 0.000 1.322 596 H CB 0.209 29.828 29.762 -0.238 0.000 1.426 596 H HN 0.536 nan 8.280 nan 0.000 0.546 597 N N -0.456 117.944 118.700 -0.499 0.000 2.197 597 N HA 0.024 4.764 4.740 -0.000 0.000 0.201 597 N C -0.297 174.602 175.510 -1.019 0.000 1.148 597 N CA 0.161 52.693 53.050 -0.863 0.000 0.883 597 N CB 0.757 38.398 38.487 -1.410 0.000 1.012 597 N HN 0.157 nan 8.380 nan 0.000 0.507 598 F N 0.585 120.429 119.950 -0.176 0.000 2.841 598 F HA 0.168 4.695 4.527 -0.000 0.000 0.358 598 F C 1.792 177.549 175.800 -0.071 0.000 1.261 598 F CA -0.463 57.465 58.000 -0.120 0.000 1.233 598 F CB 0.420 39.325 39.000 -0.158 0.000 1.008 598 F HN -0.102 nan 8.300 nan 0.000 0.507 599 S N -0.128 115.575 115.700 0.005 0.000 2.400 599 S HA -0.233 4.237 4.470 -0.000 0.000 0.232 599 S C 1.859 176.503 174.600 0.073 0.000 1.025 599 S CA 1.117 59.319 58.200 0.003 0.000 0.993 599 S CB -0.252 62.903 63.200 -0.075 0.000 0.808 599 S HN 0.442 nan 8.310 nan 0.000 0.478 600 K N 0.630 121.080 120.400 0.083 0.000 2.442 600 K HA 0.123 4.443 4.320 -0.000 0.000 0.198 600 K C 0.334 177.079 176.600 0.241 0.000 1.044 600 K CA 0.234 56.605 56.287 0.139 0.000 0.948 600 K CB -0.502 32.062 32.500 0.106 0.000 0.762 600 K HN 0.470 nan 8.250 nan 0.000 0.472 601 L N 0.833 122.188 121.223 0.220 0.000 2.483 601 L HA -0.063 4.277 4.340 -0.000 0.000 0.276 601 L C 1.393 178.372 176.870 0.182 0.000 1.213 601 L CA -0.216 54.730 54.840 0.176 0.000 0.843 601 L CB 0.145 42.273 42.059 0.116 0.000 1.107 601 L HN 0.038 nan 8.230 nan 0.000 0.487 602 F N 1.751 121.628 119.950 -0.121 0.000 2.102 602 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 602 F C 1.259 177.033 175.800 -0.044 0.000 1.105 602 F CA 1.221 59.044 58.000 -0.294 0.000 1.239 602 F CB 0.254 39.059 39.000 -0.326 0.000 0.991 602 F HN 0.619 nan 8.300 nan 0.000 0.474 603 S N -1.013 114.746 115.700 0.098 0.000 2.636 603 S HA 0.446 4.916 4.470 -0.000 0.000 0.266 603 S C -1.088 173.554 174.600 0.070 0.000 1.147 603 S CA -1.102 57.103 58.200 0.010 0.000 0.815 603 S CB 0.971 64.154 63.200 -0.028 0.000 1.119 603 S HN 0.117 nan 8.310 nan 0.000 0.470 604 M N 1.744 121.344 119.600 -0.001 0.000 2.227 604 M HA 0.436 4.915 4.480 -0.000 0.000 0.335 604 M C -0.487 175.746 176.300 -0.112 0.000 1.053 604 M CA -0.254 54.972 55.300 -0.123 0.000 0.973 604 M CB 1.855 34.245 32.600 -0.350 0.000 1.623 604 M HN 0.830 nan 8.290 nan 0.000 0.434 605 E N 3.151 123.316 120.200 -0.058 0.000 2.194 605 E HA 0.141 4.491 4.350 -0.000 0.000 0.284 605 E C -0.481 176.100 176.600 -0.030 0.000 1.035 605 E CA 0.006 56.385 56.400 -0.034 0.000 0.836 605 E CB 0.563 30.255 29.700 -0.015 0.000 1.070 605 E HN 0.755 nan 8.360 nan 0.000 0.401 606 N N 3.735 122.427 118.700 -0.012 0.000 2.162 606 N HA 0.101 4.841 4.740 -0.000 0.000 0.232 606 N C -1.329 174.335 175.510 0.256 0.000 1.361 606 N CA -0.488 52.614 53.050 0.086 0.000 0.786 606 N CB -0.192 38.230 38.487 -0.108 0.000 1.290 606 N HN 0.365 nan 8.380 nan 0.000 0.505 607 W N 0.219 121.484 121.300 -0.059 0.000 2.959 607 W HA 0.675 5.335 4.660 -0.000 0.000 0.358 607 W C 0.223 176.730 176.519 -0.019 0.000 1.228 607 W CA 0.790 58.113 57.345 -0.036 0.000 1.183 607 W CB 0.956 30.382 29.460 -0.057 0.000 1.467 607 W HN 0.473 nan 8.180 nan 0.000 0.578 608 G N 1.135 109.822 108.800 -0.187 0.000 2.796 608 G HA2 0.411 4.371 3.960 -0.000 0.000 0.226 608 G HA3 0.411 4.371 3.960 -0.000 0.000 0.226 608 G C 0.554 175.383 174.900 -0.118 0.000 1.381 608 G CA 0.853 45.869 45.100 -0.140 0.000 0.867 608 G HN 2.314 nan 8.290 nan 0.000 0.552 609 G N -1.080 107.676 108.800 -0.073 0.000 2.527 609 G HA2 0.194 4.154 3.960 -0.000 0.000 0.268 609 G HA3 0.194 4.154 3.960 -0.000 0.000 0.268 609 G C 1.549 176.410 174.900 -0.066 0.000 1.175 609 G CA 2.372 47.443 45.100 -0.048 0.000 0.962 609 G HN 2.563 nan 8.290 nan 0.000 0.560 610 A N -0.685 122.106 122.820 -0.048 0.000 2.169 610 A HA 0.347 4.667 4.320 -0.000 0.000 0.212 610 A C 2.550 180.091 177.584 -0.072 0.000 1.153 610 A CA 2.587 54.610 52.037 -0.023 0.000 0.756 610 A CB -0.852 18.161 19.000 0.022 0.000 0.813 610 A HN 2.138 nan 8.150 nan 0.000 0.471 611 T N -3.232 111.252 114.554 -0.115 0.000 2.833 611 T HA -0.177 4.173 4.350 -0.000 0.000 0.269 611 T C 1.662 176.214 174.700 -0.246 0.000 1.054 611 T CA 1.447 63.461 62.100 -0.142 0.000 1.135 611 T CB -0.579 68.220 68.868 -0.115 0.000 0.869 611 T HN 0.322 nan 8.240 nan 0.000 0.466 612 F N 2.352 122.040 119.950 -0.437 0.000 2.186 612 F HA -0.022 4.505 4.527 -0.000 0.000 0.299 612 F C 2.225 177.745 175.800 -0.466 0.000 1.090 612 F CA 1.612 59.293 58.000 -0.531 0.000 1.307 612 F CB -0.159 38.502 39.000 -0.565 0.000 1.019 612 F HN 0.130 nan 8.300 nan 0.000 0.489 613 D N 0.012 120.273 120.400 -0.231 0.000 2.084 613 D HA -0.161 4.479 4.640 -0.000 0.000 0.199 613 D C 2.335 178.427 176.300 -0.347 0.000 0.981 613 D CA 2.092 55.812 54.000 -0.467 0.000 0.841 613 D CB -0.562 40.070 40.800 -0.281 0.000 0.997 613 D HN 0.230 nan 8.370 nan 0.000 0.454 614 V N -0.172 119.635 119.914 -0.178 0.000 2.809 614 V HA 0.098 4.218 4.120 -0.000 0.000 0.256 614 V C 2.325 178.306 176.094 -0.188 0.000 1.080 614 V CA 1.566 63.829 62.300 -0.062 0.000 1.102 614 V CB -0.774 31.123 31.823 0.124 0.000 0.705 614 V HN 0.236 nan 8.190 nan 0.000 0.475 615 A N 1.027 123.680 122.820 -0.279 0.000 1.869 615 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 615 A C 2.293 179.589 177.584 -0.481 0.000 1.203 615 A CA 2.930 54.754 52.037 -0.354 0.000 0.638 615 A CB -0.616 18.142 19.000 -0.404 0.000 0.831 615 A HN 0.599 nan 8.150 nan 0.000 0.450 616 M N -2.232 117.033 119.600 -0.558 0.000 2.287 616 M HA 0.009 4.489 4.480 -0.000 0.000 0.266 616 M C 2.384 178.399 176.300 -0.475 0.000 1.079 616 M CA 1.242 56.150 55.300 -0.652 0.000 1.146 616 M CB -0.147 32.146 32.600 -0.511 0.000 1.374 616 M HN 0.441 nan 8.290 nan 0.000 0.435 617 R N -0.309 119.907 120.500 -0.473 0.000 2.148 617 R HA -0.036 4.304 4.340 -0.000 0.000 0.223 617 R C 0.917 176.680 176.300 -0.895 0.000 1.088 617 R CA 1.327 57.065 56.100 -0.604 0.000 0.985 617 R CB 0.345 30.243 30.300 -0.669 0.000 0.880 617 R HN 0.328 nan 8.270 nan 0.000 0.451 618 F N -2.318 117.294 119.950 -0.563 0.000 2.835 618 F HA 0.171 4.698 4.527 -0.000 0.000 0.341 618 F C 1.316 176.734 175.800 -0.637 0.000 0.940 618 F CA -0.387 57.292 58.000 -0.536 0.000 1.125 618 F CB 0.671 39.504 39.000 -0.277 0.000 0.974 618 F HN -0.149 nan 8.300 nan 0.000 0.601 619 L N -1.374 119.584 121.223 -0.442 0.000 2.609 619 L HA 0.170 4.510 4.340 -0.000 0.000 0.230 619 L C -0.012 176.763 176.870 -0.159 0.000 1.087 619 L CA 0.052 54.728 54.840 -0.273 0.000 0.874 619 L CB -0.235 41.656 42.059 -0.280 0.000 1.114 619 L HN 0.144 nan 8.230 nan 0.000 0.488 620 Y N 0.314 120.587 120.300 -0.045 0.000 3.721 620 Y HA -0.275 4.275 4.550 -0.000 0.000 0.218 620 Y C 0.265 176.210 175.900 0.075 0.000 1.188 620 Y CA 0.032 58.174 58.100 0.070 0.000 1.607 620 Y CB -2.544 36.102 38.460 0.310 0.000 1.496 620 Y HN 0.375 nan 8.280 nan 0.000 0.626 621 E N -0.389 119.737 120.200 -0.123 0.000 2.191 621 E HA 0.430 4.779 4.350 -0.000 0.000 0.274 621 E C -0.384 176.042 176.600 -0.289 0.000 0.948 621 E CA -0.978 55.380 56.400 -0.070 0.000 0.802 621 E CB 1.731 31.377 29.700 -0.090 0.000 1.137 621 E HN 0.329 nan 8.360 nan 0.000 0.397 622 C N 5.108 124.401 119.300 -0.012 0.000 2.629 622 C HA 0.165 4.625 4.460 -0.000 0.000 0.410 622 C C -0.973 174.013 174.990 -0.006 0.000 1.339 622 C CA -1.672 57.365 59.018 0.031 0.000 1.810 622 C CB -0.119 27.843 27.740 0.370 0.000 2.549 622 C HN 0.663 nan 8.230 nan 0.000 0.589 623 P HA -0.075 nan 4.420 nan 0.000 0.218 623 P C 1.061 178.504 177.300 0.238 0.000 1.149 623 P CA 1.657 64.638 63.100 -0.197 0.000 0.817 623 P CB -0.006 31.098 31.700 -0.994 0.000 0.785 624 W N 0.483 121.945 121.300 0.271 0.000 2.436 624 W HA 0.077 4.737 4.660 -0.000 0.000 0.284 624 W C 2.745 179.341 176.519 0.129 0.000 1.225 624 W CA 0.381 57.892 57.345 0.277 0.000 1.271 624 W CB -0.646 28.954 29.460 0.233 0.000 1.114 624 W HN -0.147 nan 8.180 nan 0.000 0.559 625 R N 0.329 121.036 120.500 0.346 0.000 2.115 625 R HA -0.062 4.278 4.340 -0.000 0.000 0.226 625 R C 2.148 178.547 176.300 0.166 0.000 1.100 625 R CA 1.017 57.251 56.100 0.223 0.000 0.980 625 R CB -0.507 29.915 30.300 0.205 0.000 0.875 625 R HN 0.248 nan 8.270 nan 0.000 0.445 626 R N 1.013 121.617 120.500 0.173 0.000 2.083 626 R HA -0.171 4.168 4.340 -0.000 0.000 0.237 626 R C 2.243 178.617 176.300 0.123 0.000 1.137 626 R CA 1.448 57.642 56.100 0.157 0.000 0.951 626 R CB -0.328 30.087 30.300 0.192 0.000 0.851 626 R HN 0.104 nan 8.270 nan 0.000 0.434 627 L N 1.288 122.526 121.223 0.025 0.000 2.017 627 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 627 L C 2.090 178.956 176.870 -0.007 0.000 1.073 627 L CA 1.764 56.497 54.840 -0.179 0.000 0.745 627 L CB -0.568 41.026 42.059 -0.776 0.000 0.894 627 L HN 0.249 nan 8.230 nan 0.000 0.432 628 Q N -0.361 119.455 119.800 0.026 0.000 1.993 628 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 628 Q C 2.141 178.180 176.000 0.065 0.000 0.984 628 Q CA 2.232 58.060 55.803 0.041 0.000 0.837 628 Q CB -0.316 28.462 28.738 0.067 0.000 0.902 628 Q HN 0.596 nan 8.270 nan 0.000 0.423 629 E N 0.452 120.705 120.200 0.089 0.000 2.118 629 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 629 E C 2.014 178.688 176.600 0.123 0.000 0.992 629 E CA 0.856 57.312 56.400 0.093 0.000 0.804 629 E CB -0.121 29.635 29.700 0.093 0.000 0.741 629 E HN 0.341 nan 8.360 nan 0.000 0.458 630 L N 0.308 121.637 121.223 0.176 0.000 2.156 630 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 630 L C 2.603 179.693 176.870 0.367 0.000 1.095 630 L CA 0.577 55.587 54.840 0.283 0.000 0.770 630 L CB -0.159 42.078 42.059 0.298 0.000 0.914 630 L HN 0.024 nan 8.230 nan 0.000 0.439 631 R N 1.228 121.857 120.500 0.214 0.000 2.070 631 R HA -0.220 4.120 4.340 -0.000 0.000 0.232 631 R C 2.183 178.432 176.300 -0.086 0.000 1.138 631 R CA 2.070 58.113 56.100 -0.095 0.000 0.936 631 R CB -0.367 29.828 30.300 -0.176 0.000 0.839 631 R HN 0.549 nan 8.270 nan 0.000 0.429 632 E N 0.256 120.442 120.200 -0.022 0.000 2.204 632 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 632 E C 1.872 178.476 176.600 0.008 0.000 0.990 632 E CA 1.201 57.588 56.400 -0.021 0.000 0.821 632 E CB -0.337 29.360 29.700 -0.003 0.000 0.750 632 E HN 0.394 nan 8.360 nan 0.000 0.477 633 L N 0.480 121.738 121.223 0.059 0.000 2.240 633 L HA 0.132 4.472 4.340 -0.000 0.000 0.211 633 L C 1.106 178.028 176.870 0.086 0.000 1.106 633 L CA 0.660 55.551 54.840 0.085 0.000 0.793 633 L CB 0.013 42.147 42.059 0.124 0.000 0.927 633 L HN 0.180 nan 8.230 nan 0.000 0.446 634 I N 0.932 121.558 120.570 0.093 0.000 2.537 634 I HA 0.165 4.335 4.170 -0.000 0.000 0.276 634 I C -1.831 174.220 176.117 -0.109 0.000 1.063 634 I CA -1.149 60.193 61.300 0.071 0.000 1.144 634 I CB 1.829 40.008 38.000 0.297 0.000 1.252 634 I HN -0.186 nan 8.210 nan 0.000 0.480 635 P HA 0.022 nan 4.420 nan 0.000 0.239 635 P C 0.609 177.801 177.300 -0.180 0.000 1.188 635 P CA 0.872 63.866 63.100 -0.178 0.000 0.794 635 P CB 0.221 31.842 31.700 -0.131 0.000 0.937 636 N N 0.243 118.859 118.700 -0.140 0.000 2.432 636 N HA 0.037 4.777 4.740 -0.000 0.000 0.174 636 N C 0.562 176.022 175.510 -0.084 0.000 1.037 636 N CA 0.205 53.184 53.050 -0.119 0.000 0.892 636 N CB -0.549 37.865 38.487 -0.123 0.000 1.049 636 N HN 0.147 nan 8.380 nan 0.000 0.442 637 I N 1.888 122.432 120.570 -0.045 0.000 2.385 637 I HA 0.325 4.495 4.170 -0.000 0.000 0.294 637 I C -2.373 173.738 176.117 -0.009 0.000 0.988 637 I CA -2.427 58.884 61.300 0.018 0.000 1.265 637 I CB 1.654 39.701 38.000 0.078 0.000 1.388 637 I HN -0.192 nan 8.210 nan 0.000 0.480 638 P HA 0.051 nan 4.420 nan 0.000 0.268 638 P C -0.945 176.421 177.300 0.110 0.000 1.204 638 P CA 0.116 63.123 63.100 -0.154 0.000 0.768 638 P CB 0.251 31.702 31.700 -0.414 0.000 0.842 639 F N 2.092 121.917 119.950 -0.208 0.000 2.408 639 F HA 0.418 4.945 4.527 -0.000 0.000 0.344 639 F C 0.874 176.575 175.800 -0.166 0.000 1.112 639 F CA -0.551 57.347 58.000 -0.170 0.000 1.096 639 F CB 1.017 39.910 39.000 -0.178 0.000 1.129 639 F HN 0.251 nan 8.300 nan 0.000 0.486 640 Q N 3.842 123.665 119.800 0.037 0.000 2.337 640 Q HA 0.552 4.892 4.340 -0.000 0.000 0.266 640 Q C -1.159 174.831 176.000 -0.016 0.000 1.023 640 Q CA -0.690 55.112 55.803 -0.001 0.000 0.829 640 Q CB 2.285 31.064 28.738 0.069 0.000 1.306 640 Q HN 0.770 nan 8.270 nan 0.000 0.449 641 M N 4.387 123.943 119.600 -0.072 0.000 2.456 641 M HA 0.412 4.892 4.480 -0.000 0.000 0.324 641 M C -1.814 174.489 176.300 0.006 0.000 1.124 641 M CA -1.095 54.199 55.300 -0.011 0.000 0.959 641 M CB 1.498 34.037 32.600 -0.102 0.000 1.692 641 M HN 0.747 nan 8.290 nan 0.000 0.444 642 L N 5.562 126.803 121.223 0.031 0.000 2.259 642 L HA 0.471 4.811 4.340 -0.000 0.000 0.288 642 L C -1.604 175.344 176.870 0.129 0.000 1.051 642 L CA -0.316 54.556 54.840 0.053 0.000 0.824 642 L CB 1.015 43.059 42.059 -0.025 0.000 1.206 642 L HN 0.724 nan 8.230 nan 0.000 0.429 643 L N 5.156 126.498 121.223 0.198 0.000 2.296 643 L HA 0.514 4.854 4.340 -0.000 0.000 0.286 643 L C 0.384 177.330 176.870 0.127 0.000 1.023 643 L CA -0.152 54.790 54.840 0.171 0.000 0.812 643 L CB 1.145 43.365 42.059 0.267 0.000 1.223 643 L HN 0.559 nan 8.230 nan 0.000 0.421 644 R N 4.612 125.096 120.500 -0.026 0.000 3.907 644 R HA 0.261 4.601 4.340 -0.000 0.000 0.241 644 R C 1.013 177.096 176.300 -0.363 0.000 1.784 644 R CA 0.473 56.364 56.100 -0.348 0.000 1.509 644 R CB -0.648 29.493 30.300 -0.265 0.000 1.275 644 R HN 1.080 nan 8.270 nan 0.000 0.642 645 G N 1.436 110.113 108.800 -0.205 0.000 2.677 645 G HA2 -0.490 3.470 3.960 -0.000 0.000 0.321 645 G HA3 -0.490 3.470 3.960 -0.000 0.000 0.321 645 G C 0.861 175.708 174.900 -0.088 0.000 1.181 645 G CA 0.466 45.483 45.100 -0.138 0.000 0.965 645 G HN 0.469 nan 8.290 nan 0.000 0.548 646 A N -0.029 122.753 122.820 -0.063 0.000 2.081 646 A HA 0.246 4.566 4.320 -0.000 0.000 0.214 646 A C 1.894 179.486 177.584 0.014 0.000 1.158 646 A CA 1.569 53.606 52.037 0.001 0.000 0.724 646 A CB -0.208 18.819 19.000 0.045 0.000 0.826 646 A HN 0.569 nan 8.150 nan 0.000 0.463 647 N N 0.489 119.158 118.700 -0.051 0.000 2.550 647 N HA 0.087 4.827 4.740 -0.000 0.000 0.186 647 N C 1.417 176.935 175.510 0.014 0.000 1.110 647 N CA 0.984 54.010 53.050 -0.040 0.000 0.912 647 N CB -0.147 38.270 38.487 -0.118 0.000 0.968 647 N HN 0.574 nan 8.380 nan 0.000 0.448 648 A N 0.476 123.244 122.820 -0.087 0.000 5.023 648 A HA -0.312 4.008 4.320 -0.000 0.000 0.346 648 A C 1.138 178.497 177.584 -0.375 0.000 1.724 648 A CA 2.254 54.120 52.037 -0.285 0.000 0.700 648 A CB -1.405 17.295 19.000 -0.501 0.000 1.464 648 A HN 0.262 nan 8.150 nan 0.000 0.404 649 V N -0.312 119.298 119.914 -0.508 0.000 3.329 649 V HA 0.560 4.679 4.120 -0.000 0.000 0.317 649 V C 0.967 176.871 176.094 -0.317 0.000 1.495 649 V CA 1.320 63.342 62.300 -0.463 0.000 1.105 649 V CB -0.062 31.294 31.823 -0.778 0.000 0.985 649 V HN 1.628 nan 8.190 nan 0.000 0.475 650 G N -0.583 108.049 108.800 -0.279 0.000 3.194 650 G HA2 0.301 4.261 3.960 -0.000 0.000 0.160 650 G HA3 0.301 4.261 3.960 -0.000 0.000 0.160 650 G C -0.072 174.463 174.900 -0.607 0.000 1.267 650 G CA 0.172 45.025 45.100 -0.411 0.000 0.962 650 G HN 0.202 nan 8.290 nan 0.000 0.612 651 Y N -0.060 120.204 120.300 -0.060 0.000 2.610 651 Y HA 0.320 4.869 4.550 -0.000 0.000 0.254 651 Y C 0.867 176.692 175.900 -0.125 0.000 1.110 651 Y CA 0.041 58.106 58.100 -0.057 0.000 1.238 651 Y CB 0.733 39.187 38.460 -0.011 0.000 1.322 651 Y HN 0.518 nan 8.280 nan 0.000 0.547 652 T N -2.825 111.623 114.554 -0.177 0.000 2.841 652 T HA 0.368 4.717 4.350 -0.000 0.000 0.296 652 T C -0.773 173.718 174.700 -0.348 0.000 1.166 652 T CA -1.198 60.768 62.100 -0.223 0.000 1.007 652 T CB 1.365 70.075 68.868 -0.263 0.000 1.253 652 T HN -0.190 nan 8.240 nan 0.000 0.511 653 N N 1.090 119.678 118.700 -0.186 0.000 2.440 653 N HA 0.248 4.988 4.740 -0.000 0.000 0.265 653 N C -0.869 174.520 175.510 -0.202 0.000 1.239 653 N CA 0.142 53.124 53.050 -0.112 0.000 0.909 653 N CB -0.362 38.127 38.487 0.003 0.000 1.066 653 N HN 0.509 nan 8.380 nan 0.000 0.474 654 Y N 1.999 122.259 120.300 -0.067 0.000 2.418 654 Y HA 0.355 4.904 4.550 -0.000 0.000 0.327 654 Y C -1.446 174.444 175.900 -0.018 0.000 1.309 654 Y CA -1.893 56.167 58.100 -0.066 0.000 1.423 654 Y CB 0.089 38.490 38.460 -0.099 0.000 1.423 654 Y HN 0.438 nan 8.280 nan 0.000 0.532 655 P HA -0.037 nan 4.420 nan 0.000 0.268 655 P C -0.187 177.199 177.300 0.145 0.000 1.208 655 P CA 0.276 63.452 63.100 0.126 0.000 0.777 655 P CB 0.709 32.471 31.700 0.102 0.000 0.875 656 D N 1.318 121.802 120.400 0.140 0.000 2.097 656 D HA -0.146 4.493 4.640 -0.000 0.000 0.197 656 D C 1.554 178.029 176.300 0.292 0.000 0.984 656 D CA 1.342 55.473 54.000 0.219 0.000 0.826 656 D CB -0.626 40.284 40.800 0.183 0.000 0.973 656 D HN 0.494 nan 8.370 nan 0.000 0.460 657 N N 1.389 120.177 118.700 0.147 0.000 2.205 657 N HA -0.140 4.600 4.740 -0.000 0.000 0.186 657 N C 1.872 177.491 175.510 0.183 0.000 1.015 657 N CA 0.742 53.865 53.050 0.122 0.000 0.862 657 N CB -0.855 37.649 38.487 0.028 0.000 0.986 657 N HN 0.139 nan 8.380 nan 0.000 0.429 658 V N 0.556 120.555 119.914 0.142 0.000 2.548 658 V HA -0.103 4.016 4.120 -0.000 0.000 0.249 658 V C 2.285 178.463 176.094 0.139 0.000 1.055 658 V CA 0.928 63.294 62.300 0.109 0.000 1.065 658 V CB -0.189 31.649 31.823 0.024 0.000 0.681 658 V HN 0.204 nan 8.190 nan 0.000 0.462 659 V N -0.682 119.317 119.914 0.141 0.000 2.453 659 V HA -0.174 3.946 4.120 -0.000 0.000 0.247 659 V C 2.201 178.366 176.094 0.118 0.000 1.048 659 V CA 2.110 64.469 62.300 0.098 0.000 1.049 659 V CB -0.901 30.946 31.823 0.041 0.000 0.672 659 V HN 0.508 nan 8.190 nan 0.000 0.457 660 F N 0.775 120.765 119.950 0.066 0.000 2.134 660 F HA -0.152 4.375 4.527 -0.000 0.000 0.299 660 F C 2.432 178.275 175.800 0.073 0.000 1.097 660 F CA 2.025 60.054 58.000 0.050 0.000 1.264 660 F CB -0.308 38.708 39.000 0.027 0.000 1.001 660 F HN 0.062 nan 8.300 nan 0.000 0.479 661 K N -0.111 120.453 120.400 0.273 0.000 2.103 661 K HA -0.140 4.180 4.320 -0.000 0.000 0.204 661 K C 1.918 178.652 176.600 0.222 0.000 1.052 661 K CA 1.067 57.472 56.287 0.196 0.000 0.945 661 K CB -0.791 31.799 32.500 0.151 0.000 0.722 661 K HN 0.180 nan 8.250 nan 0.000 0.443 662 F N 0.359 120.387 119.950 0.129 0.000 2.075 662 F HA -0.240 4.287 4.527 -0.000 0.000 0.297 662 F C 1.950 177.917 175.800 0.279 0.000 1.113 662 F CA 1.633 59.758 58.000 0.208 0.000 1.218 662 F CB -0.542 38.521 39.000 0.105 0.000 0.984 662 F HN 0.053 nan 8.300 nan 0.000 0.472 663 C N 0.213 119.693 119.300 0.300 0.000 2.422 663 C HA -0.169 4.291 4.460 -0.000 0.000 0.279 663 C C 2.722 177.772 174.990 0.101 0.000 1.305 663 C CA 1.237 60.353 59.018 0.164 0.000 1.757 663 C CB -1.248 26.383 27.740 -0.182 0.000 1.962 663 C HN 0.581 nan 8.230 nan 0.000 0.499 664 E N 0.677 120.928 120.200 0.084 0.000 2.038 664 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 664 E C 2.046 178.692 176.600 0.077 0.000 1.000 664 E CA 1.737 58.179 56.400 0.070 0.000 0.803 664 E CB 0.065 29.812 29.700 0.079 0.000 0.750 664 E HN 0.480 nan 8.360 nan 0.000 0.448 665 V N 0.930 120.890 119.914 0.077 0.000 2.407 665 V HA -0.151 3.969 4.120 -0.000 0.000 0.245 665 V C 2.411 178.611 176.094 0.177 0.000 1.041 665 V CA 1.413 63.742 62.300 0.047 0.000 1.040 665 V CB -0.693 31.066 31.823 -0.106 0.000 0.671 665 V HN 0.378 nan 8.190 nan 0.000 0.455 666 A N 1.061 124.029 122.820 0.247 0.000 1.917 666 A HA -0.327 3.992 4.320 -0.000 0.000 0.219 666 A C 2.234 179.889 177.584 0.118 0.000 1.182 666 A CA 2.677 54.813 52.037 0.166 0.000 0.633 666 A CB -0.514 18.549 19.000 0.105 0.000 0.819 666 A HN 0.554 nan 8.150 nan 0.000 0.448 667 K N 0.191 120.730 120.400 0.231 0.000 2.025 667 K HA -0.110 4.209 4.320 -0.000 0.000 0.207 667 K C 1.737 178.373 176.600 0.060 0.000 1.049 667 K CA 2.016 58.412 56.287 0.182 0.000 0.933 667 K CB -0.432 32.190 32.500 0.204 0.000 0.714 667 K HN 0.412 nan 8.250 nan 0.000 0.438 668 E N -0.298 119.932 120.200 0.051 0.000 2.333 668 E HA -0.105 4.244 4.350 -0.000 0.000 0.198 668 E C 0.801 177.397 176.600 -0.007 0.000 1.007 668 E CA 1.157 57.563 56.400 0.011 0.000 0.845 668 E CB -0.006 29.697 29.700 0.004 0.000 0.766 668 E HN 0.434 nan 8.360 nan 0.000 0.507 669 N N -2.094 116.609 118.700 0.006 0.000 2.322 669 N HA 0.170 4.910 4.740 -0.000 0.000 0.181 669 N C 0.562 176.017 175.510 -0.092 0.000 1.088 669 N CA 0.746 53.787 53.050 -0.015 0.000 0.885 669 N CB 1.617 40.150 38.487 0.077 0.000 1.013 669 N HN 0.175 nan 8.380 nan 0.000 0.472 670 G N -1.282 107.446 108.800 -0.120 0.000 2.870 670 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.216 670 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.216 670 G C -0.274 174.504 174.900 -0.203 0.000 0.973 670 G CA -0.574 44.409 45.100 -0.194 0.000 0.807 670 G HN -0.054 nan 8.290 nan 0.000 0.573 671 M N 2.126 121.627 119.600 -0.165 0.000 2.219 671 M HA 0.339 4.819 4.480 -0.000 0.000 0.353 671 M C 0.709 176.954 176.300 -0.091 0.000 1.304 671 M CA -0.023 55.163 55.300 -0.190 0.000 1.115 671 M CB 0.721 33.078 32.600 -0.405 0.000 1.664 671 M HN 0.205 nan 8.290 nan 0.000 0.459 672 D N 2.106 122.435 120.400 -0.118 0.000 2.566 672 D HA 0.097 4.737 4.640 -0.000 0.000 0.253 672 D C -0.005 176.309 176.300 0.023 0.000 0.992 672 D CA 0.792 54.743 54.000 -0.081 0.000 0.940 672 D CB 0.471 41.136 40.800 -0.224 0.000 1.095 672 D HN 0.338 nan 8.370 nan 0.000 0.480 673 V N 1.848 121.734 119.914 -0.047 0.000 2.398 673 V HA 0.293 4.412 4.120 -0.000 0.000 0.286 673 V C -0.835 175.280 176.094 0.035 0.000 1.026 673 V CA -0.603 61.751 62.300 0.090 0.000 0.868 673 V CB 1.207 33.086 31.823 0.093 0.000 0.982 673 V HN -0.064 nan 8.190 nan 0.000 0.443 674 F N 3.745 123.761 119.950 0.110 0.000 2.361 674 F HA 0.512 5.039 4.527 -0.000 0.000 0.364 674 F C 0.604 176.462 175.800 0.098 0.000 1.117 674 F CA -0.574 57.491 58.000 0.108 0.000 1.071 674 F CB 1.236 40.292 39.000 0.094 0.000 1.188 674 F HN 0.372 nan 8.300 nan 0.000 0.464 675 R N 3.599 124.209 120.500 0.185 0.000 2.242 675 R HA 0.528 4.868 4.340 -0.000 0.000 0.334 675 R C -1.436 174.980 176.300 0.192 0.000 1.071 675 R CA -0.226 55.949 56.100 0.126 0.000 0.922 675 R CB 0.432 30.729 30.300 -0.005 0.000 1.023 675 R HN 0.474 nan 8.270 nan 0.000 0.458 676 V N 7.149 127.173 119.914 0.183 0.000 2.394 676 V HA 0.452 4.572 4.120 -0.000 0.000 0.282 676 V C -0.283 175.946 176.094 0.224 0.000 1.031 676 V CA -0.563 61.844 62.300 0.177 0.000 0.881 676 V CB 0.665 32.545 31.823 0.094 0.000 0.982 676 V HN 0.692 nan 8.190 nan 0.000 0.451 677 F N 1.629 121.595 119.950 0.026 0.000 2.613 677 F HA 0.884 5.411 4.527 -0.000 0.000 0.314 677 F C -1.072 174.761 175.800 0.055 0.000 1.075 677 F CA -1.065 56.956 58.000 0.035 0.000 0.945 677 F CB 2.120 41.136 39.000 0.026 0.000 1.310 677 F HN 0.423 nan 8.300 nan 0.000 0.467 678 D N 1.162 121.531 120.400 -0.051 0.000 2.593 678 D HA 0.274 4.914 4.640 -0.000 0.000 0.251 678 D C 0.619 176.956 176.300 0.060 0.000 1.140 678 D CA -0.208 53.696 54.000 -0.160 0.000 0.855 678 D CB 2.319 43.124 40.800 0.008 0.000 1.267 678 D HN 0.704 nan 8.370 nan 0.000 0.532 679 S N 2.576 118.264 115.700 -0.020 0.000 2.502 679 S HA -0.263 4.206 4.470 -0.000 0.000 0.288 679 S C 1.544 176.259 174.600 0.192 0.000 1.186 679 S CA 1.855 60.151 58.200 0.160 0.000 1.182 679 S CB -0.218 63.040 63.200 0.096 0.000 1.135 679 S HN 0.629 nan 8.310 nan 0.000 0.442 680 L N -0.021 121.317 121.223 0.192 0.000 2.590 680 L HA 0.297 4.637 4.340 -0.000 0.000 0.227 680 L C 0.737 177.772 176.870 0.274 0.000 1.099 680 L CA 0.130 55.108 54.840 0.231 0.000 0.872 680 L CB -0.217 41.981 42.059 0.233 0.000 1.088 680 L HN 0.221 nan 8.230 nan 0.000 0.479 681 N N -1.119 117.733 118.700 0.253 0.000 2.878 681 N HA -0.296 4.444 4.740 -0.000 0.000 0.247 681 N C 0.087 175.724 175.510 0.212 0.000 1.021 681 N CA 0.719 53.910 53.050 0.234 0.000 0.873 681 N CB -1.844 36.813 38.487 0.284 0.000 1.128 681 N HN 0.468 nan 8.380 nan 0.000 0.571 682 Y N 1.986 122.349 120.300 0.105 0.000 2.854 682 Y HA -0.059 4.491 4.550 -0.000 0.000 0.372 682 Y C 1.796 177.726 175.900 0.049 0.000 1.330 682 Y CA 0.004 58.151 58.100 0.079 0.000 1.765 682 Y CB -0.190 38.314 38.460 0.074 0.000 1.277 682 Y HN 0.216 nan 8.280 nan 0.000 0.498 683 L N 8.582 129.652 121.223 -0.254 0.000 2.054 683 L HA -0.222 4.117 4.340 -0.000 0.000 0.220 683 L C -0.998 175.689 176.870 -0.305 0.000 1.081 683 L CA 2.222 56.919 54.840 -0.239 0.000 0.780 683 L CB -1.329 40.621 42.059 -0.182 0.000 0.893 683 L HN 0.513 nan 8.230 nan 0.000 0.438 684 P HA -0.130 nan 4.420 nan 0.000 0.215 684 P C 1.190 178.402 177.300 -0.146 0.000 1.157 684 P CA 1.658 64.556 63.100 -0.336 0.000 0.874 684 P CB -0.161 31.279 31.700 -0.434 0.000 0.790 685 N N -1.015 117.638 118.700 -0.079 0.000 2.069 685 N HA -0.133 4.607 4.740 -0.000 0.000 0.191 685 N C 1.727 177.233 175.510 -0.007 0.000 1.031 685 N CA 1.392 54.479 53.050 0.062 0.000 0.852 685 N CB -0.879 37.721 38.487 0.190 0.000 1.018 685 N HN 0.161 nan 8.380 nan 0.000 0.423 686 M N 0.279 119.863 119.600 -0.028 0.000 2.082 686 M HA -0.179 4.300 4.480 -0.000 0.000 0.258 686 M C 1.989 178.261 176.300 -0.047 0.000 1.069 686 M CA 1.426 56.707 55.300 -0.032 0.000 1.102 686 M CB -0.739 31.848 32.600 -0.022 0.000 1.336 686 M HN 0.118 nan 8.290 nan 0.000 0.404 687 L N -0.073 121.114 121.223 -0.059 0.000 2.083 687 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 687 L C 2.597 179.437 176.870 -0.049 0.000 1.083 687 L CA 0.948 55.755 54.840 -0.055 0.000 0.752 687 L CB -0.776 41.252 42.059 -0.052 0.000 0.899 687 L HN 0.307 nan 8.230 nan 0.000 0.433 688 L N 0.264 121.467 121.223 -0.032 0.000 1.976 688 L HA -0.108 4.231 4.340 -0.000 0.000 0.209 688 L C 2.492 179.281 176.870 -0.135 0.000 1.071 688 L CA 2.130 56.956 54.840 -0.024 0.000 0.746 688 L CB -0.870 41.208 42.059 0.032 0.000 0.890 688 L HN 0.153 nan 8.230 nan 0.000 0.432 689 G N -0.806 107.930 108.800 -0.106 0.000 2.440 689 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.218 689 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.218 689 G C 1.584 176.390 174.900 -0.156 0.000 1.154 689 G CA 1.222 46.245 45.100 -0.127 0.000 0.767 689 G HN 0.401 nan 8.290 nan 0.000 0.552 690 M N 0.844 120.376 119.600 -0.114 0.000 2.108 690 M HA -0.078 4.402 4.480 -0.000 0.000 0.261 690 M C 2.376 178.576 176.300 -0.166 0.000 1.066 690 M CA 1.823 57.054 55.300 -0.115 0.000 1.107 690 M CB -0.182 32.366 32.600 -0.086 0.000 1.356 690 M HN 0.518 nan 8.290 nan 0.000 0.406 691 E N -0.516 119.576 120.200 -0.179 0.000 2.437 691 E HA 0.186 4.536 4.350 -0.000 0.000 0.189 691 E C 1.251 177.573 176.600 -0.464 0.000 1.054 691 E CA 0.393 56.683 56.400 -0.183 0.000 0.874 691 E CB 0.146 29.833 29.700 -0.022 0.000 1.011 691 E HN 0.396 nan 8.360 nan 0.000 0.474 692 A N 1.646 124.081 122.820 -0.642 0.000 1.887 692 A HA 0.335 4.655 4.320 -0.000 0.000 0.210 692 A C 2.430 179.696 177.584 -0.530 0.000 1.221 692 A CA 0.867 52.385 52.037 -0.865 0.000 0.635 692 A CB -0.528 18.052 19.000 -0.700 0.000 0.881 692 A HN 0.329 nan 8.150 nan 0.000 0.456 693 A N -0.177 122.333 122.820 -0.518 0.000 1.933 693 A HA 0.116 4.436 4.320 -0.000 0.000 0.218 693 A C 2.305 179.628 177.584 -0.435 0.000 1.175 693 A CA 2.005 53.588 52.037 -0.756 0.000 0.628 693 A CB -1.278 17.358 19.000 -0.606 0.000 0.814 693 A HN 0.683 nan 8.150 nan 0.000 0.444 694 G N -0.858 107.789 108.800 -0.256 0.000 2.414 694 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.215 694 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.215 694 G C 1.939 176.793 174.900 -0.077 0.000 1.188 694 G CA 1.475 46.506 45.100 -0.116 0.000 0.783 694 G HN 0.591 nan 8.290 nan 0.000 0.537 695 S N 0.896 116.546 115.700 -0.084 0.000 2.365 695 S HA 0.084 4.554 4.470 -0.000 0.000 0.225 695 S C 1.671 176.267 174.600 -0.007 0.000 1.039 695 S CA 1.291 59.498 58.200 0.012 0.000 1.033 695 S CB -0.640 62.637 63.200 0.128 0.000 0.887 695 S HN 0.708 nan 8.310 nan 0.000 0.447 696 A N -0.077 122.696 122.820 -0.078 0.000 2.327 696 A HA 0.542 4.862 4.320 -0.000 0.000 0.255 696 A C 1.467 179.022 177.584 -0.049 0.000 1.099 696 A CA 0.122 52.120 52.037 -0.065 0.000 0.801 696 A CB -0.475 18.457 19.000 -0.113 0.000 1.062 696 A HN 0.607 nan 8.150 nan 0.000 0.496 697 G N -0.116 108.682 108.800 -0.003 0.000 2.653 697 G HA2 0.295 4.255 3.960 -0.000 0.000 0.212 697 G HA3 0.295 4.255 3.960 -0.000 0.000 0.212 697 G C 0.714 175.640 174.900 0.043 0.000 1.138 697 G CA 0.675 45.786 45.100 0.019 0.000 0.782 697 G HN 1.120 nan 8.290 nan 0.000 0.535 698 G N -0.507 108.319 108.800 0.044 0.000 2.444 698 G HA2 0.408 4.368 3.960 -0.000 0.000 0.268 698 G HA3 0.408 4.368 3.960 -0.000 0.000 0.268 698 G C -0.094 174.931 174.900 0.208 0.000 1.203 698 G CA -0.490 44.713 45.100 0.173 0.000 0.835 698 G HN 0.134 nan 8.290 nan 0.000 0.543 699 V N 1.263 121.328 119.914 0.251 0.000 2.585 699 V HA 0.089 4.209 4.120 -0.000 0.000 0.296 699 V C 0.407 176.746 176.094 0.408 0.000 1.035 699 V CA -0.237 62.261 62.300 0.332 0.000 1.084 699 V CB 1.173 33.144 31.823 0.247 0.000 0.953 699 V HN 0.405 nan 8.190 nan 0.000 0.483 700 V N 4.889 125.074 119.914 0.453 0.000 2.328 700 V HA 0.309 4.429 4.120 -0.000 0.000 0.278 700 V C 0.259 176.468 176.094 0.191 0.000 1.021 700 V CA -0.352 62.074 62.300 0.211 0.000 0.838 700 V CB 1.245 33.058 31.823 -0.017 0.000 0.999 700 V HN 0.996 nan 8.190 nan 0.000 0.447 701 E N 4.527 124.845 120.200 0.198 0.000 2.267 701 E HA 0.587 4.937 4.350 -0.000 0.000 0.241 701 E C 0.160 176.811 176.600 0.086 0.000 0.950 701 E CA -0.580 55.911 56.400 0.152 0.000 0.776 701 E CB 0.887 30.697 29.700 0.182 0.000 1.207 701 E HN 0.826 nan 8.360 nan 0.000 0.436 702 A N 3.090 125.937 122.820 0.045 0.000 2.520 702 A HA 0.467 4.787 4.320 -0.000 0.000 0.245 702 A C 0.053 177.658 177.584 0.035 0.000 1.072 702 A CA 0.363 52.418 52.037 0.031 0.000 0.761 702 A CB 0.431 19.424 19.000 -0.011 0.000 1.004 702 A HN 0.626 nan 8.150 nan 0.000 0.499 703 A N 3.607 126.471 122.820 0.072 0.000 2.311 703 A HA 0.612 4.931 4.320 -0.000 0.000 0.306 703 A C -0.240 177.419 177.584 0.125 0.000 1.189 703 A CA -0.519 51.562 52.037 0.072 0.000 0.791 703 A CB 0.277 19.312 19.000 0.059 0.000 1.172 703 A HN 0.755 nan 8.150 nan 0.000 0.481 704 I N 2.257 122.890 120.570 0.106 0.000 2.416 704 I HA 0.138 4.308 4.170 -0.000 0.000 0.288 704 I C 0.494 176.728 176.117 0.195 0.000 1.051 704 I CA 0.077 61.478 61.300 0.169 0.000 1.375 704 I CB 1.238 39.347 38.000 0.181 0.000 1.407 704 I HN 0.516 nan 8.210 nan 0.000 0.516 705 S N 5.718 121.573 115.700 0.259 0.000 2.523 705 S HA 0.222 4.692 4.470 -0.000 0.000 0.275 705 S C -0.590 174.184 174.600 0.289 0.000 1.281 705 S CA -0.310 58.032 58.200 0.238 0.000 1.050 705 S CB 0.416 63.769 63.200 0.255 0.000 0.937 705 S HN 0.425 nan 8.310 nan 0.000 0.492 706 Y N 2.326 122.662 120.300 0.061 0.000 2.361 706 Y HA 0.623 5.173 4.550 -0.000 0.000 0.332 706 Y C 0.279 176.198 175.900 0.032 0.000 1.101 706 Y CA -0.096 58.001 58.100 -0.006 0.000 1.137 706 Y CB 1.570 39.936 38.460 -0.156 0.000 1.207 706 Y HN 0.664 nan 8.280 nan 0.000 0.463 707 T N 2.935 117.098 114.554 -0.651 0.000 2.731 707 T HA 0.603 4.953 4.350 -0.000 0.000 0.300 707 T C -0.063 174.268 174.700 -0.615 0.000 1.283 707 T CA 0.258 62.012 62.100 -0.577 0.000 1.005 707 T CB 0.548 69.162 68.868 -0.423 0.000 1.420 707 T HN 1.592 nan 8.240 nan 0.000 0.503 708 G N 1.784 110.413 108.800 -0.285 0.000 2.547 708 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.271 708 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.271 708 G C -0.737 174.124 174.900 -0.065 0.000 1.209 708 G CA 0.793 45.842 45.100 -0.085 0.000 0.959 708 G HN 1.144 nan 8.290 nan 0.000 0.563 709 D N -1.709 118.726 120.400 0.058 0.000 2.354 709 D HA 0.437 5.077 4.640 -0.000 0.000 0.230 709 D C 0.879 177.304 176.300 0.208 0.000 1.361 709 D CA 0.196 54.292 54.000 0.161 0.000 0.992 709 D CB 1.179 42.042 40.800 0.105 0.000 1.409 709 D HN 0.547 nan 8.370 nan 0.000 0.573 710 V N 3.067 123.181 119.914 0.333 0.000 2.626 710 V HA -0.091 4.028 4.120 -0.000 0.000 0.252 710 V C 2.203 178.414 176.094 0.195 0.000 1.067 710 V CA 2.252 64.745 62.300 0.322 0.000 1.081 710 V CB -0.315 31.769 31.823 0.434 0.000 0.686 710 V HN 0.696 nan 8.190 nan 0.000 0.468 711 A N -1.010 121.901 122.820 0.153 0.000 2.235 711 A HA -0.031 4.289 4.320 -0.000 0.000 0.208 711 A C 1.105 178.731 177.584 0.070 0.000 1.172 711 A CA 0.592 52.684 52.037 0.093 0.000 0.786 711 A CB -0.191 18.849 19.000 0.066 0.000 0.804 711 A HN 0.496 nan 8.150 nan 0.000 0.479 712 D N -0.020 120.429 120.400 0.080 0.000 2.454 712 D HA 0.246 4.886 4.640 -0.000 0.000 0.225 712 D C -1.781 174.556 176.300 0.061 0.000 1.081 712 D CA -2.003 52.031 54.000 0.056 0.000 0.864 712 D CB 1.497 42.324 40.800 0.045 0.000 1.040 712 D HN 0.064 nan 8.370 nan 0.000 0.517 713 P HA -0.138 nan 4.420 nan 0.000 0.222 713 P C 1.367 178.688 177.300 0.035 0.000 1.147 713 P CA 0.549 63.677 63.100 0.046 0.000 0.790 713 P CB 0.341 32.063 31.700 0.036 0.000 0.780 714 S N -0.028 115.690 115.700 0.029 0.000 2.368 714 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 714 S C 1.234 175.846 174.600 0.020 0.000 1.030 714 S CA 0.404 58.616 58.200 0.020 0.000 0.999 714 S CB -0.781 62.429 63.200 0.016 0.000 0.844 714 S HN -0.001 nan 8.310 nan 0.000 0.459 715 R N 2.009 122.528 120.500 0.032 0.000 2.343 715 R HA 0.210 4.550 4.340 -0.000 0.000 0.326 715 R C 1.284 177.598 176.300 0.022 0.000 1.055 715 R CA 0.724 56.844 56.100 0.034 0.000 0.961 715 R CB 0.652 30.990 30.300 0.063 0.000 0.978 715 R HN 0.590 nan 8.270 nan 0.000 0.443 716 T N -1.055 113.489 114.554 -0.016 0.000 3.014 716 T HA 0.060 4.410 4.350 -0.000 0.000 0.250 716 T C 1.541 176.175 174.700 -0.110 0.000 1.060 716 T CA -0.246 61.833 62.100 -0.035 0.000 1.040 716 T CB 0.142 68.992 68.868 -0.030 0.000 0.971 716 T HN 0.393 nan 8.240 nan 0.000 0.497 717 K N 0.951 121.231 120.400 -0.201 0.000 1.985 717 K HA -0.059 4.260 4.320 -0.000 0.000 0.210 717 K C -0.242 175.928 176.600 -0.718 0.000 1.047 717 K CA 1.176 57.182 56.287 -0.469 0.000 0.932 717 K CB -0.105 32.007 32.500 -0.646 0.000 0.716 717 K HN 0.480 nan 8.250 nan 0.000 0.439 718 Y N 1.610 121.731 120.300 -0.298 0.000 2.921 718 Y HA 0.186 4.735 4.550 -0.000 0.000 0.346 718 Y C 0.079 175.877 175.900 -0.170 0.000 1.182 718 Y CA -1.051 56.728 58.100 -0.536 0.000 1.319 718 Y CB 0.542 38.728 38.460 -0.457 0.000 1.403 718 Y HN 0.054 nan 8.280 nan 0.000 0.554 719 S N 0.016 115.725 115.700 0.014 0.000 2.655 719 S HA 0.142 4.611 4.470 -0.000 0.000 0.265 719 S C 1.080 175.850 174.600 0.282 0.000 1.240 719 S CA -0.767 57.525 58.200 0.153 0.000 0.986 719 S CB 1.014 64.273 63.200 0.099 0.000 0.985 719 S HN 0.639 nan 8.310 nan 0.000 0.562 720 L N 0.286 121.682 121.223 0.288 0.000 2.127 720 L HA -0.082 4.258 4.340 -0.000 0.000 0.211 720 L C 2.676 179.689 176.870 0.237 0.000 1.089 720 L CA 1.722 56.751 54.840 0.315 0.000 0.757 720 L CB -0.632 41.550 42.059 0.207 0.000 0.899 720 L HN 0.791 nan 8.230 nan 0.000 0.434 721 Q N -1.389 118.508 119.800 0.162 0.000 2.123 721 Q HA -0.235 4.105 4.340 -0.000 0.000 0.199 721 Q C 2.141 178.192 176.000 0.085 0.000 0.966 721 Q CA 1.764 57.632 55.803 0.108 0.000 0.845 721 Q CB -0.404 28.383 28.738 0.081 0.000 0.907 721 Q HN 0.700 nan 8.270 nan 0.000 0.439 722 Y N 0.303 120.568 120.300 -0.058 0.000 2.081 722 Y HA -0.329 4.221 4.550 -0.000 0.000 0.280 722 Y C 1.813 177.612 175.900 -0.168 0.000 1.163 722 Y CA 2.089 60.071 58.100 -0.196 0.000 1.135 722 Y CB -0.764 37.469 38.460 -0.378 0.000 0.970 722 Y HN 0.115 nan 8.280 nan 0.000 0.498 723 Y N -1.231 119.081 120.300 0.019 0.000 2.181 723 Y HA -0.278 4.272 4.550 -0.000 0.000 0.288 723 Y C 2.603 178.474 175.900 -0.048 0.000 1.146 723 Y CA 1.406 59.477 58.100 -0.048 0.000 1.164 723 Y CB -0.503 38.059 38.460 0.171 0.000 0.982 723 Y HN 0.198 nan 8.280 nan 0.000 0.515 724 M N 0.156 119.854 119.600 0.163 0.000 2.213 724 M HA -0.087 4.393 4.480 -0.000 0.000 0.263 724 M C 2.231 178.577 176.300 0.077 0.000 1.062 724 M CA 1.619 57.000 55.300 0.135 0.000 1.105 724 M CB -0.773 31.894 32.600 0.111 0.000 1.385 724 M HN 0.267 nan 8.290 nan 0.000 0.417 725 G N -0.398 108.394 108.800 -0.013 0.000 2.404 725 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.215 725 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.215 725 G C 1.367 176.219 174.900 -0.080 0.000 1.174 725 G CA 0.619 45.690 45.100 -0.049 0.000 0.780 725 G HN 0.385 nan 8.290 nan 0.000 0.537 726 L N 1.520 122.632 121.223 -0.184 0.000 2.017 726 L HA 0.125 4.464 4.340 -0.000 0.000 0.208 726 L C 3.186 180.025 176.870 -0.051 0.000 1.073 726 L CA 1.868 56.610 54.840 -0.164 0.000 0.745 726 L CB -1.088 40.815 42.059 -0.261 0.000 0.894 726 L HN 0.279 nan 8.230 nan 0.000 0.432 727 A N -0.940 121.888 122.820 0.014 0.000 1.908 727 A HA -0.288 4.031 4.320 -0.000 0.000 0.218 727 A C 2.273 179.869 177.584 0.021 0.000 1.181 727 A CA 1.900 53.954 52.037 0.028 0.000 0.627 727 A CB -0.670 18.426 19.000 0.160 0.000 0.818 727 A HN 0.487 nan 8.150 nan 0.000 0.445 728 E N -0.024 120.281 120.200 0.175 0.000 2.085 728 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 728 E C 1.907 178.548 176.600 0.068 0.000 0.994 728 E CA 1.875 58.416 56.400 0.235 0.000 0.801 728 E CB -0.206 29.608 29.700 0.190 0.000 0.743 728 E HN 0.743 nan 8.360 nan 0.000 0.453 729 E N -0.566 119.640 120.200 0.010 0.000 2.152 729 E HA -0.073 4.276 4.350 -0.000 0.000 0.192 729 E C 2.076 178.648 176.600 -0.048 0.000 0.983 729 E CA 0.685 57.073 56.400 -0.020 0.000 0.818 729 E CB 0.023 29.701 29.700 -0.037 0.000 0.758 729 E HN 0.284 nan 8.360 nan 0.000 0.467 730 L N 0.190 121.371 121.223 -0.070 0.000 2.072 730 L HA -0.128 4.211 4.340 -0.000 0.000 0.205 730 L C 2.361 179.153 176.870 -0.130 0.000 1.079 730 L CA 0.528 55.312 54.840 -0.092 0.000 0.752 730 L CB -0.269 41.737 42.059 -0.089 0.000 0.906 730 L HN 0.052 nan 8.230 nan 0.000 0.436 731 V N -0.129 119.668 119.914 -0.194 0.000 2.261 731 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 731 V C 2.675 178.703 176.094 -0.110 0.000 1.047 731 V CA 1.786 63.936 62.300 -0.249 0.000 1.015 731 V CB -0.683 30.816 31.823 -0.540 0.000 0.642 731 V HN 0.448 nan 8.190 nan 0.000 0.446 732 R N 0.266 120.737 120.500 -0.047 0.000 2.119 732 R HA -0.226 4.114 4.340 -0.000 0.000 0.246 732 R C 2.081 178.362 176.300 -0.031 0.000 1.146 732 R CA 1.925 58.017 56.100 -0.013 0.000 0.962 732 R CB -0.424 29.880 30.300 0.007 0.000 0.863 732 R HN 0.520 nan 8.270 nan 0.000 0.442 733 A N -0.473 122.316 122.820 -0.051 0.000 2.209 733 A HA 0.139 4.459 4.320 -0.000 0.000 0.212 733 A C 1.085 178.624 177.584 -0.076 0.000 1.158 733 A CA 0.953 52.956 52.037 -0.055 0.000 0.742 733 A CB -0.105 18.860 19.000 -0.060 0.000 0.790 733 A HN 0.587 nan 8.150 nan 0.000 0.472 734 G N -0.566 108.178 108.800 -0.093 0.000 2.325 734 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.248 734 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.248 734 G C 0.223 174.992 174.900 -0.218 0.000 1.108 734 G CA 0.378 45.406 45.100 -0.120 0.000 0.881 734 G HN 0.988 nan 8.290 nan 0.000 0.494 735 T N -1.067 113.371 114.554 -0.193 0.000 2.898 735 T HA 0.448 4.798 4.350 -0.000 0.000 0.301 735 T C 1.701 176.284 174.700 -0.194 0.000 1.049 735 T CA 0.253 62.224 62.100 -0.215 0.000 1.095 735 T CB 0.455 69.252 68.868 -0.118 0.000 0.976 735 T HN 0.320 nan 8.240 nan 0.000 0.539 736 H N 2.938 122.032 119.070 0.040 0.000 2.344 736 H HA 0.284 4.840 4.556 -0.000 0.000 0.307 736 H C 0.730 176.093 175.328 0.059 0.000 1.057 736 H CA 0.721 56.807 56.048 0.064 0.000 1.373 736 H CB 0.210 30.047 29.762 0.125 0.000 1.421 736 H HN 0.426 nan 8.280 nan 0.000 0.532 737 I N 1.595 122.294 120.570 0.216 0.000 2.562 737 I HA 0.193 4.363 4.170 -0.000 0.000 0.301 737 I C -0.171 175.982 176.117 0.059 0.000 1.003 737 I CA -1.007 60.377 61.300 0.139 0.000 1.127 737 I CB 2.316 40.461 38.000 0.242 0.000 1.304 737 I HN -0.035 nan 8.210 nan 0.000 0.446 738 L N 6.007 127.233 121.223 0.003 0.000 2.329 738 L HA 0.620 4.959 4.340 -0.000 0.000 0.279 738 L C -0.777 176.089 176.870 -0.007 0.000 1.014 738 L CA 0.017 54.840 54.840 -0.028 0.000 0.814 738 L CB 1.553 43.553 42.059 -0.098 0.000 1.257 738 L HN 0.825 nan 8.230 nan 0.000 0.424 739 C N 6.464 125.759 119.300 -0.010 0.000 2.498 739 C HA 0.723 5.183 4.460 -0.000 0.000 0.316 739 C C -0.147 174.833 174.990 -0.017 0.000 1.209 739 C CA -0.775 58.230 59.018 -0.023 0.000 1.518 739 C CB 0.453 28.141 27.740 -0.086 0.000 2.147 739 C HN 0.786 nan 8.230 nan 0.000 0.483 743 M N -0.024 119.697 119.600 0.203 0.000 2.144 743 M HA -0.057 4.422 4.480 -0.000 0.000 0.260 743 M C 1.272 177.551 176.300 -0.034 0.000 1.067 743 M CA 2.221 57.610 55.300 0.148 0.000 1.095 743 M CB -1.380 31.228 32.600 0.013 0.000 1.365 743 M HN 0.253 nan 8.290 nan 0.000 0.406 744 A N -0.041 122.785 122.820 0.010 0.000 2.308 744 A HA 0.503 4.823 4.320 -0.000 0.000 0.217 744 A C 1.522 179.072 177.584 -0.056 0.000 1.216 744 A CA 0.589 52.594 52.037 -0.052 0.000 0.864 744 A CB -0.745 18.248 19.000 -0.011 0.000 0.902 744 A HN 1.001 nan 8.150 nan 0.000 0.499 745 G N -0.445 108.366 108.800 0.019 0.000 2.289 745 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.280 745 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.280 745 G C 0.402 175.306 174.900 0.008 0.000 1.089 745 G CA 0.420 45.515 45.100 -0.007 0.000 0.939 745 G HN 0.482 nan 8.290 nan 0.000 0.499 746 L N -1.037 120.272 121.223 0.143 0.000 2.616 746 L HA 0.351 4.691 4.340 -0.000 0.000 0.229 746 L C 1.479 178.615 176.870 0.444 0.000 1.110 746 L CA -0.124 54.891 54.840 0.291 0.000 0.884 746 L CB 0.195 42.396 42.059 0.237 0.000 1.115 746 L HN 0.264 nan 8.230 nan 0.000 0.481 747 L N 1.471 122.856 121.223 0.269 0.000 2.369 747 L HA 0.145 4.485 4.340 -0.000 0.000 0.279 747 L C 0.123 177.051 176.870 0.097 0.000 1.108 747 L CA 0.311 55.201 54.840 0.083 0.000 0.852 747 L CB 0.550 42.508 42.059 -0.169 0.000 1.169 747 L HN 0.073 nan 8.230 nan 0.000 0.452 748 K N 4.505 124.966 120.400 0.102 0.000 2.123 748 K HA 0.347 4.667 4.320 -0.000 0.000 0.248 748 K C -1.652 174.956 176.600 0.013 0.000 0.969 748 K CA -1.681 54.645 56.287 0.064 0.000 0.882 748 K CB 1.347 33.873 32.500 0.043 0.000 1.080 748 K HN 0.125 nan 8.250 nan 0.000 0.441 749 P HA -0.311 nan 4.420 nan 0.000 0.216 749 P C 1.275 178.568 177.300 -0.012 0.000 1.167 749 P CA 2.080 65.174 63.100 -0.010 0.000 0.933 749 P CB -0.104 31.593 31.700 -0.005 0.000 0.793 750 T N -3.387 111.166 114.554 -0.003 0.000 2.977 750 T HA -0.036 4.314 4.350 -0.000 0.000 0.271 750 T C 1.723 176.428 174.700 0.009 0.000 1.105 750 T CA 1.229 63.331 62.100 0.002 0.000 1.116 750 T CB -0.930 67.942 68.868 0.006 0.000 0.878 750 T HN 0.065 nan 8.240 nan 0.000 0.509 751 A N 0.096 122.923 122.820 0.011 0.000 1.975 751 A HA 0.184 4.504 4.320 -0.000 0.000 0.215 751 A C 2.666 180.222 177.584 -0.047 0.000 1.170 751 A CA 0.770 52.819 52.037 0.019 0.000 0.656 751 A CB -1.074 17.972 19.000 0.076 0.000 0.821 751 A HN 0.687 nan 8.150 nan 0.000 0.449 752 C N -1.152 118.103 119.300 -0.074 0.000 2.548 752 C HA -0.082 4.377 4.460 -0.000 0.000 0.284 752 C C 2.899 177.853 174.990 -0.060 0.000 1.252 752 C CA 1.501 60.458 59.018 -0.102 0.000 1.725 752 C CB -1.483 26.202 27.740 -0.092 0.000 2.098 752 C HN 0.600 nan 8.230 nan 0.000 0.471 753 T N 1.132 115.664 114.554 -0.036 0.000 2.668 753 T HA -0.386 3.963 4.350 -0.000 0.000 0.265 753 T C 1.748 176.442 174.700 -0.010 0.000 1.041 753 T CA 2.508 64.596 62.100 -0.020 0.000 1.160 753 T CB -0.485 68.376 68.868 -0.012 0.000 0.857 753 T HN 0.631 nan 8.240 nan 0.000 0.455 754 M N -0.202 119.397 119.600 -0.001 0.000 2.132 754 M HA 0.038 4.518 4.480 -0.000 0.000 0.263 754 M C 2.183 178.495 176.300 0.020 0.000 1.065 754 M CA 1.472 56.782 55.300 0.016 0.000 1.122 754 M CB -0.130 32.491 32.600 0.035 0.000 1.365 754 M HN 0.243 nan 8.290 nan 0.000 0.411 755 L N -0.215 121.008 121.223 -0.000 0.000 2.068 755 L HA -0.118 4.221 4.340 -0.000 0.000 0.204 755 L C 2.205 179.072 176.870 -0.006 0.000 1.076 755 L CA 0.855 55.693 54.840 -0.003 0.000 0.753 755 L CB -0.232 41.777 42.059 -0.082 0.000 0.910 755 L HN 0.189 nan 8.230 nan 0.000 0.439 756 V N -0.786 119.111 119.914 -0.029 0.000 2.261 756 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 756 V C 2.628 178.724 176.094 0.003 0.000 1.047 756 V CA 1.981 64.271 62.300 -0.018 0.000 1.015 756 V CB -0.615 31.187 31.823 -0.035 0.000 0.642 756 V HN 0.384 nan 8.190 nan 0.000 0.446 757 S N 0.215 115.914 115.700 -0.001 0.000 2.359 757 S HA -0.239 4.231 4.470 -0.000 0.000 0.223 757 S C 2.233 176.836 174.600 0.004 0.000 1.039 757 S CA 2.049 60.250 58.200 0.001 0.000 1.042 757 S CB -0.396 62.804 63.200 -0.000 0.000 0.915 757 S HN 0.628 nan 8.310 nan 0.000 0.439 758 S N 1.204 116.912 115.700 0.013 0.000 2.399 758 S HA 0.053 4.523 4.470 -0.000 0.000 0.231 758 S C 1.755 176.362 174.600 0.011 0.000 1.022 758 S CA 0.802 59.008 58.200 0.010 0.000 0.983 758 S CB -0.299 62.921 63.200 0.033 0.000 0.803 758 S HN 0.337 nan 8.310 nan 0.000 0.480 759 L N 0.584 121.841 121.223 0.057 0.000 2.095 759 L HA 0.031 4.371 4.340 -0.000 0.000 0.204 759 L C 2.636 179.583 176.870 0.128 0.000 1.080 759 L CA 0.919 55.843 54.840 0.140 0.000 0.759 759 L CB -0.284 41.869 42.059 0.157 0.000 0.914 759 L HN 0.145 nan 8.230 nan 0.000 0.439 760 R N 0.424 120.962 120.500 0.065 0.000 2.115 760 R HA -0.145 4.194 4.340 -0.000 0.000 0.230 760 R C 1.833 178.136 176.300 0.004 0.000 1.111 760 R CA 1.448 57.575 56.100 0.046 0.000 0.976 760 R CB -0.580 29.734 30.300 0.023 0.000 0.870 760 R HN 0.285 nan 8.270 nan 0.000 0.445 761 D N -0.408 119.976 120.400 -0.027 0.000 2.117 761 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 761 D C 1.710 177.928 176.300 -0.135 0.000 0.987 761 D CA 1.165 55.128 54.000 -0.062 0.000 0.829 761 D CB 0.061 40.827 40.800 -0.057 0.000 0.961 761 D HN 0.061 nan 8.370 nan 0.000 0.460 762 R N -0.429 119.924 120.500 -0.245 0.000 2.112 762 R HA 0.033 4.372 4.340 -0.000 0.000 0.216 762 R C -0.038 175.809 176.300 -0.756 0.000 1.080 762 R CA 0.616 56.370 56.100 -0.578 0.000 0.996 762 R CB 0.049 29.841 30.300 -0.846 0.000 0.902 762 R HN -0.013 nan 8.270 nan 0.000 0.449 763 F N -0.025 119.928 119.950 0.005 0.000 2.676 763 F HA 0.409 4.936 4.527 -0.000 0.000 0.371 763 F C -1.878 173.924 175.800 0.002 0.000 1.141 763 F CA -2.339 55.664 58.000 0.005 0.000 1.133 763 F CB 2.216 41.220 39.000 0.006 0.000 1.376 763 F HN -0.072 nan 8.300 nan 0.000 0.491 764 P HA -0.026 nan 4.420 nan 0.000 0.224 764 P C 0.573 177.918 177.300 0.076 0.000 1.157 764 P CA 1.041 64.185 63.100 0.073 0.000 0.799 764 P CB 0.407 32.130 31.700 0.037 0.000 0.809 765 D N -1.265 119.192 120.400 0.096 0.000 2.349 765 D HA 0.084 4.723 4.640 -0.000 0.000 0.214 765 D C 0.274 176.611 176.300 0.062 0.000 1.063 765 D CA 0.068 54.109 54.000 0.069 0.000 0.847 765 D CB -0.032 40.808 40.800 0.066 0.000 0.933 765 D HN 0.118 nan 8.370 nan 0.000 0.513 766 L N 2.056 123.329 121.223 0.082 0.000 2.276 766 L HA 0.350 4.689 4.340 -0.000 0.000 0.286 766 L C -2.505 174.374 176.870 0.015 0.000 1.061 766 L CA -1.957 52.906 54.840 0.039 0.000 0.807 766 L CB 1.045 43.110 42.059 0.010 0.000 1.177 766 L HN -0.291 nan 8.230 nan 0.000 0.429 767 P HA 0.198 nan 4.420 nan 0.000 0.276 767 P C -1.071 176.197 177.300 -0.055 0.000 1.253 767 P CA 0.042 63.113 63.100 -0.049 0.000 0.766 767 P CB 0.403 32.062 31.700 -0.069 0.000 0.845 768 L N 4.016 125.199 121.223 -0.068 0.000 2.275 768 L HA 0.372 4.712 4.340 -0.000 0.000 0.288 768 L C 0.579 177.386 176.870 -0.105 0.000 1.046 768 L CA -0.369 54.437 54.840 -0.057 0.000 0.805 768 L CB 0.443 42.481 42.059 -0.035 0.000 1.193 768 L HN 0.481 nan 8.230 nan 0.000 0.426 769 H N 4.274 123.233 119.070 -0.185 0.000 2.587 769 H HA 0.496 5.052 4.556 -0.000 0.000 0.325 769 H C -0.801 174.432 175.328 -0.158 0.000 1.012 769 H CA -0.894 55.003 56.048 -0.251 0.000 1.213 769 H CB 1.002 30.576 29.762 -0.313 0.000 1.431 769 H HN 0.350 nan 8.280 nan 0.000 0.492 770 I N 4.302 124.941 120.570 0.115 0.000 2.441 770 I HA 0.175 4.344 4.170 -0.000 0.000 0.295 770 I C -0.232 175.943 176.117 0.097 0.000 0.994 770 I CA -0.466 60.859 61.300 0.041 0.000 1.144 770 I CB 1.239 39.208 38.000 -0.052 0.000 1.314 770 I HN 0.751 nan 8.210 nan 0.000 0.445 771 H N 3.139 122.166 119.070 -0.072 0.000 2.589 771 H HA 0.677 5.233 4.556 -0.000 0.000 0.351 771 H C -1.092 174.169 175.328 -0.111 0.000 1.074 771 H CA -0.117 55.867 56.048 -0.107 0.000 1.203 771 H CB 1.804 31.478 29.762 -0.148 0.000 1.558 771 H HN 0.683 nan 8.280 nan 0.000 0.522 772 T N 3.612 117.746 114.554 -0.699 0.000 2.843 772 T HA 0.319 4.669 4.350 -0.000 0.000 0.302 772 T C -1.419 172.887 174.700 -0.657 0.000 1.232 772 T CA -0.676 61.128 62.100 -0.493 0.000 1.009 772 T CB 0.856 69.588 68.868 -0.226 0.000 1.254 772 T HN 0.694 nan 8.240 nan 0.000 0.504 773 H N 1.168 120.057 119.070 -0.302 0.000 2.595 773 H HA 0.354 4.910 4.556 -0.000 0.000 0.346 773 H C -0.291 174.928 175.328 -0.180 0.000 1.181 773 H CA -0.546 55.365 56.048 -0.228 0.000 1.242 773 H CB 1.992 31.648 29.762 -0.177 0.000 1.652 773 H HN 0.570 nan 8.280 nan 0.000 0.548 774 D N 0.150 120.520 120.400 -0.050 0.000 2.402 774 D HA 0.030 4.670 4.640 -0.000 0.000 0.216 774 D C 0.977 177.204 176.300 -0.120 0.000 1.128 774 D CA 0.045 53.993 54.000 -0.088 0.000 0.833 774 D CB 0.220 40.965 40.800 -0.092 0.000 0.971 774 D HN 0.497 nan 8.370 nan 0.000 0.503 775 T N -1.315 113.147 114.554 -0.154 0.000 2.869 775 T HA -0.182 4.168 4.350 -0.000 0.000 0.270 775 T C 1.836 176.365 174.700 -0.285 0.000 1.082 775 T CA 1.617 63.553 62.100 -0.273 0.000 1.123 775 T CB -0.129 68.517 68.868 -0.370 0.000 0.856 775 T HN 0.234 nan 8.240 nan 0.000 0.499 776 S N -0.180 115.374 115.700 -0.244 0.000 2.517 776 S HA 0.456 4.925 4.470 -0.000 0.000 0.214 776 S C 1.834 176.385 174.600 -0.081 0.000 0.991 776 S CA 0.432 58.487 58.200 -0.242 0.000 0.906 776 S CB 0.203 63.176 63.200 -0.379 0.000 0.789 776 S HN 0.724 nan 8.310 nan 0.000 0.513 777 G N 0.619 109.377 108.800 -0.072 0.000 2.176 777 G HA2 -0.121 3.838 3.960 -0.000 0.000 0.232 777 G HA3 -0.121 3.838 3.960 -0.000 0.000 0.232 777 G C 0.673 175.570 174.900 -0.004 0.000 0.986 777 G CA -0.101 44.980 45.100 -0.033 0.000 0.643 777 G HN 1.269 nan 8.290 nan 0.000 0.522 778 A N 0.111 122.936 122.820 0.009 0.000 2.390 778 A HA 0.654 4.973 4.320 -0.000 0.000 0.232 778 A C 2.337 179.920 177.584 -0.000 0.000 1.233 778 A CA 1.400 53.456 52.037 0.031 0.000 0.907 778 A CB -0.283 18.776 19.000 0.098 0.000 0.967 778 A HN 1.439 nan 8.150 nan 0.000 0.512 779 G N 0.307 109.090 108.800 -0.029 0.000 2.459 779 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.217 779 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.217 779 G C 1.489 176.357 174.900 -0.054 0.000 1.183 779 G CA 1.493 46.560 45.100 -0.055 0.000 0.776 779 G HN 0.245 nan 8.290 nan 0.000 0.552 780 V N 1.647 121.536 119.914 -0.042 0.000 2.287 780 V HA -0.194 3.925 4.120 -0.000 0.000 0.248 780 V C 3.373 179.451 176.094 -0.026 0.000 1.053 780 V CA 2.284 64.564 62.300 -0.032 0.000 1.027 780 V CB -0.976 30.835 31.823 -0.019 0.000 0.646 780 V HN 0.507 nan 8.190 nan 0.000 0.447 781 A N -0.232 122.578 122.820 -0.017 0.000 1.908 781 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 781 A C 2.424 179.996 177.584 -0.019 0.000 1.181 781 A CA 2.243 54.273 52.037 -0.012 0.000 0.627 781 A CB -0.842 18.157 19.000 -0.001 0.000 0.818 781 A HN 0.608 nan 8.150 nan 0.000 0.445 782 A N -0.901 121.904 122.820 -0.024 0.000 1.902 782 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 782 A C 2.151 179.702 177.584 -0.054 0.000 1.181 782 A CA 2.038 54.053 52.037 -0.038 0.000 0.623 782 A CB -0.459 18.515 19.000 -0.044 0.000 0.818 782 A HN 0.439 nan 8.150 nan 0.000 0.443 783 M N -0.658 118.908 119.600 -0.057 0.000 2.254 783 M HA 0.054 4.533 4.480 -0.000 0.000 0.265 783 M C 2.073 178.345 176.300 -0.048 0.000 1.066 783 M CA 0.993 56.255 55.300 -0.062 0.000 1.123 783 M CB -1.280 31.280 32.600 -0.068 0.000 1.388 783 M HN 0.378 nan 8.290 nan 0.000 0.425 784 L N -0.242 120.960 121.223 -0.035 0.000 2.056 784 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 784 L C 2.744 179.598 176.870 -0.026 0.000 1.078 784 L CA 1.043 55.868 54.840 -0.025 0.000 0.749 784 L CB -0.823 41.227 42.059 -0.015 0.000 0.901 784 L HN 0.246 nan 8.230 nan 0.000 0.433 785 A N -0.892 121.912 122.820 -0.028 0.000 1.902 785 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 785 A C 2.428 179.990 177.584 -0.036 0.000 1.181 785 A CA 1.809 53.829 52.037 -0.027 0.000 0.623 785 A CB -1.210 17.774 19.000 -0.027 0.000 0.818 785 A HN 0.520 nan 8.150 nan 0.000 0.443 786 C N -1.134 118.136 119.300 -0.049 0.000 2.413 786 C HA -0.038 4.421 4.460 -0.000 0.000 0.276 786 C C 3.352 178.313 174.990 -0.048 0.000 1.236 786 C CA 1.057 60.040 59.018 -0.058 0.000 1.735 786 C CB -1.322 26.373 27.740 -0.075 0.000 2.031 786 C HN 0.705 nan 8.230 nan 0.000 0.474 787 A N -0.709 122.085 122.820 -0.044 0.000 1.877 787 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 787 A C 1.988 179.558 177.584 -0.025 0.000 1.186 787 A CA 1.921 53.937 52.037 -0.036 0.000 0.620 787 A CB -0.738 18.243 19.000 -0.031 0.000 0.822 787 A HN 0.654 nan 8.150 nan 0.000 0.443 788 Q N -0.941 118.847 119.800 -0.021 0.000 2.364 788 Q HA 0.077 4.417 4.340 -0.000 0.000 0.209 788 Q C 1.686 177.677 176.000 -0.014 0.000 0.977 788 Q CA 1.168 56.962 55.803 -0.014 0.000 0.885 788 Q CB -0.268 28.463 28.738 -0.012 0.000 0.941 788 Q HN 0.657 nan 8.270 nan 0.000 0.464 789 A N -1.706 121.102 122.820 -0.019 0.000 2.308 789 A HA 0.475 4.795 4.320 -0.000 0.000 0.217 789 A C 1.253 178.828 177.584 -0.015 0.000 1.216 789 A CA 0.567 52.594 52.037 -0.017 0.000 0.864 789 A CB 0.170 19.157 19.000 -0.020 0.000 0.902 789 A HN 0.385 nan 8.150 nan 0.000 0.499 790 G N -1.845 106.945 108.800 -0.018 0.000 2.175 790 G HA2 0.203 4.163 3.960 -0.000 0.000 0.182 790 G HA3 0.203 4.163 3.960 -0.000 0.000 0.182 790 G C 0.378 175.263 174.900 -0.025 0.000 1.003 790 G CA -0.023 45.068 45.100 -0.015 0.000 0.666 790 G HN 1.445 nan 8.290 nan 0.000 0.506 791 A N 0.210 123.006 122.820 -0.040 0.000 2.531 791 A HA 0.499 4.819 4.320 -0.000 0.000 0.236 791 A C 1.154 178.689 177.584 -0.083 0.000 1.062 791 A CA 1.065 53.063 52.037 -0.065 0.000 0.760 791 A CB 0.273 19.228 19.000 -0.076 0.000 0.995 791 A HN 0.266 nan 8.150 nan 0.000 0.501 792 D N 0.390 120.716 120.400 -0.124 0.000 2.201 792 D HA 0.104 4.744 4.640 -0.000 0.000 0.209 792 D C -0.088 176.054 176.300 -0.262 0.000 0.961 792 D CA 1.381 55.287 54.000 -0.158 0.000 0.861 792 D CB 0.361 41.057 40.800 -0.173 0.000 0.997 792 D HN 0.294 nan 8.370 nan 0.000 0.486 793 V N 1.907 121.580 119.914 -0.401 0.000 2.638 793 V HA 0.316 4.436 4.120 -0.000 0.000 0.306 793 V C -0.096 175.756 176.094 -0.404 0.000 1.052 793 V CA -0.918 61.028 62.300 -0.591 0.000 0.885 793 V CB 2.288 33.276 31.823 -1.392 0.000 0.999 793 V HN -0.021 nan 8.190 nan 0.000 0.424 794 V N 0.013 119.776 119.914 -0.252 0.000 2.769 794 V HA 0.772 4.892 4.120 -0.000 0.000 0.312 794 V C -0.899 175.151 176.094 -0.073 0.000 1.061 794 V CA -0.679 61.549 62.300 -0.120 0.000 0.931 794 V CB 2.198 33.965 31.823 -0.093 0.000 1.010 794 V HN 0.723 nan 8.190 nan 0.000 0.433 795 D N 3.003 123.398 120.400 -0.008 0.000 2.225 795 D HA 0.637 5.277 4.640 -0.000 0.000 0.248 795 D C 0.170 176.435 176.300 -0.059 0.000 1.096 795 D CA 0.134 54.147 54.000 0.021 0.000 0.863 795 D CB 1.800 42.671 40.800 0.118 0.000 1.156 795 D HN 0.994 nan 8.370 nan 0.000 0.450 796 V N -1.583 118.304 119.914 -0.045 0.000 3.141 796 V HA 0.993 5.113 4.120 -0.000 0.000 0.312 796 V C -0.912 175.148 176.094 -0.057 0.000 1.157 796 V CA -1.086 61.176 62.300 -0.062 0.000 1.041 796 V CB 1.712 33.512 31.823 -0.039 0.000 1.071 796 V HN 0.606 nan 8.190 nan 0.000 0.441 797 A N 0.738 123.519 122.820 -0.065 0.000 2.469 797 A HA 0.999 5.319 4.320 -0.000 0.000 0.299 797 A C 0.198 177.756 177.584 -0.044 0.000 1.098 797 A CA -0.510 51.483 52.037 -0.074 0.000 0.737 797 A CB 1.338 20.256 19.000 -0.135 0.000 1.312 797 A HN 2.542 nan 8.150 nan 0.000 0.414 798 A N 0.754 123.542 122.820 -0.053 0.000 2.587 798 A HA 0.252 4.572 4.320 -0.000 0.000 0.233 798 A C 0.686 178.258 177.584 -0.020 0.000 1.049 798 A CA 0.673 52.701 52.037 -0.014 0.000 0.754 798 A CB -0.200 18.671 19.000 -0.215 0.000 0.977 798 A HN 0.793 nan 8.150 nan 0.000 0.509 799 D N 1.411 121.848 120.400 0.060 0.000 2.133 799 D HA -0.189 4.451 4.640 -0.000 0.000 0.192 799 D C 2.265 178.577 176.300 0.019 0.000 1.001 799 D CA 2.317 56.349 54.000 0.053 0.000 0.844 799 D CB -0.397 40.468 40.800 0.109 0.000 0.944 799 D HN 0.726 nan 8.370 nan 0.000 0.447 800 S N -0.913 114.806 115.700 0.032 0.000 2.515 800 S HA -0.021 4.449 4.470 -0.000 0.000 0.231 800 S C 1.378 175.969 174.600 -0.015 0.000 0.987 800 S CA 0.427 58.642 58.200 0.026 0.000 0.936 800 S CB 0.039 63.281 63.200 0.070 0.000 0.766 800 S HN 0.068 nan 8.310 nan 0.000 0.528 801 M N 2.434 121.986 119.600 -0.080 0.000 2.685 801 M HA 0.349 4.829 4.480 -0.000 0.000 0.355 801 M C 0.219 176.439 176.300 -0.132 0.000 1.197 801 M CA -0.057 55.153 55.300 -0.149 0.000 0.947 801 M CB -0.084 32.311 32.600 -0.341 0.000 1.346 801 M HN 0.508 nan 8.290 nan 0.000 0.516 802 S N -1.192 114.457 115.700 -0.085 0.000 2.751 802 S HA 0.943 5.413 4.470 -0.000 0.000 0.310 802 S C 0.431 174.990 174.600 -0.068 0.000 1.128 802 S CA 0.018 58.170 58.200 -0.080 0.000 0.931 802 S CB 2.109 65.273 63.200 -0.059 0.000 1.177 802 S HN 0.600 nan 8.310 nan 0.000 0.530 803 G N 0.043 108.800 108.800 -0.072 0.000 2.855 803 G HA2 0.017 3.976 3.960 -0.000 0.000 0.352 803 G HA3 0.017 3.976 3.960 -0.000 0.000 0.352 803 G C 0.219 175.068 174.900 -0.084 0.000 1.415 803 G CA -0.078 44.978 45.100 -0.072 0.000 0.871 803 G HN 1.687 nan 8.290 nan 0.000 0.543 804 M N -2.868 116.673 119.600 -0.099 0.000 7.319 804 M HA -0.326 4.154 4.480 -0.000 0.000 0.299 804 M C 1.967 178.185 176.300 -0.137 0.000 0.480 804 M CA 3.251 58.472 55.300 -0.132 0.000 1.311 804 M CB -2.129 30.394 32.600 -0.128 0.000 0.421 804 M HN 1.932 nan 8.290 nan 0.000 0.612 805 T N -1.642 112.835 114.554 -0.128 0.000 3.144 805 T HA 0.314 4.664 4.350 -0.000 0.000 0.249 805 T C 0.574 175.323 174.700 0.081 0.000 1.089 805 T CA 0.588 62.633 62.100 -0.091 0.000 0.989 805 T CB 0.225 69.012 68.868 -0.135 0.000 0.992 805 T HN 0.511 nan 8.240 nan 0.000 0.540 806 S N 0.241 115.948 115.700 0.011 0.000 2.623 806 S HA 0.474 4.944 4.470 -0.000 0.000 0.278 806 S C 0.010 174.530 174.600 -0.133 0.000 1.148 806 S CA -0.643 57.546 58.200 -0.019 0.000 1.028 806 S CB 0.754 63.906 63.200 -0.081 0.000 1.145 806 S HN 0.375 nan 8.310 nan 0.000 0.523 807 Q N 1.331 120.995 119.800 -0.227 0.000 2.382 807 Q HA 0.434 4.774 4.340 -0.000 0.000 0.229 807 Q C -2.359 173.539 176.000 -0.171 0.000 1.006 807 Q CA -1.338 54.297 55.803 -0.279 0.000 0.916 807 Q CB -0.017 28.568 28.738 -0.254 0.000 1.235 807 Q HN 0.373 nan 8.270 nan 0.000 0.512 808 P HA -0.050 nan 4.420 nan 0.000 0.268 808 P C -0.749 176.510 177.300 -0.068 0.000 1.208 808 P CA -0.030 63.011 63.100 -0.099 0.000 0.777 808 P CB 0.541 32.185 31.700 -0.093 0.000 0.875 809 S N 2.563 118.239 115.700 -0.039 0.000 2.626 809 S HA -0.074 4.396 4.470 -0.000 0.000 0.303 809 S C 1.439 176.042 174.600 0.005 0.000 1.256 809 S CA -0.227 57.968 58.200 -0.008 0.000 1.069 809 S CB -0.477 62.731 63.200 0.013 0.000 0.807 809 S HN 0.533 nan 8.310 nan 0.000 0.500 810 M N 5.902 125.516 119.600 0.024 0.000 2.086 810 M HA 0.011 4.491 4.480 -0.000 0.000 0.261 810 M C 1.993 178.333 176.300 0.066 0.000 1.067 810 M CA 2.335 57.660 55.300 0.042 0.000 1.116 810 M CB -1.134 31.507 32.600 0.069 0.000 1.348 810 M HN 0.825 nan 8.290 nan 0.000 0.407 811 G N -0.283 108.577 108.800 0.100 0.000 2.469 811 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 811 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 811 G C 1.502 176.458 174.900 0.092 0.000 1.150 811 G CA 1.102 46.278 45.100 0.126 0.000 0.763 811 G HN 0.663 nan 8.290 nan 0.000 0.561 812 A N 0.308 123.167 122.820 0.066 0.000 1.898 812 A HA 0.138 4.457 4.320 -0.000 0.000 0.216 812 A C 2.384 179.987 177.584 0.032 0.000 1.181 812 A CA 1.140 53.204 52.037 0.045 0.000 0.620 812 A CB -0.303 18.713 19.000 0.026 0.000 0.819 812 A HN 0.296 nan 8.150 nan 0.000 0.442 813 L N -0.366 120.870 121.223 0.023 0.000 1.988 813 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 813 L C 2.704 179.588 176.870 0.023 0.000 1.071 813 L CA 1.532 56.379 54.840 0.013 0.000 0.744 813 L CB -1.382 40.677 42.059 -0.001 0.000 0.893 813 L HN 0.249 nan 8.230 nan 0.000 0.433 814 V N 0.511 120.445 119.914 0.034 0.000 2.252 814 V HA -0.338 3.782 4.120 -0.000 0.000 0.249 814 V C 2.833 178.947 176.094 0.033 0.000 1.056 814 V CA 1.961 64.283 62.300 0.036 0.000 1.022 814 V CB -0.978 30.869 31.823 0.041 0.000 0.641 814 V HN 0.522 nan 8.190 nan 0.000 0.445 815 A N -1.665 121.180 122.820 0.042 0.000 1.930 815 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 815 A C 2.226 179.833 177.584 0.038 0.000 1.175 815 A CA 2.118 54.184 52.037 0.048 0.000 0.627 815 A CB -0.938 18.106 19.000 0.073 0.000 0.815 815 A HN 0.616 nan 8.150 nan 0.000 0.443 816 C N -0.563 118.756 119.300 0.032 0.000 2.495 816 C HA 0.025 4.485 4.460 -0.000 0.000 0.275 816 C C 2.888 177.889 174.990 0.018 0.000 1.392 816 C CA 1.327 60.359 59.018 0.023 0.000 1.766 816 C CB -1.121 26.629 27.740 0.017 0.000 1.933 816 C HN 0.798 nan 8.230 nan 0.000 0.519 817 T N -1.970 112.595 114.554 0.019 0.000 3.057 817 T HA 0.081 4.431 4.350 -0.000 0.000 0.254 817 T C 0.811 175.523 174.700 0.020 0.000 1.094 817 T CA 0.021 62.131 62.100 0.017 0.000 1.088 817 T CB -0.136 68.743 68.868 0.018 0.000 0.934 817 T HN 0.433 nan 8.240 nan 0.000 0.497 818 R N 1.217 121.730 120.500 0.022 0.000 2.522 818 R HA 0.391 4.731 4.340 -0.000 0.000 0.284 818 R C 1.421 177.732 176.300 0.019 0.000 1.032 818 R CA 1.045 57.158 56.100 0.022 0.000 1.049 818 R CB -0.036 30.278 30.300 0.024 0.000 0.956 818 R HN 0.549 nan 8.270 nan 0.000 0.422 819 G N 1.994 110.803 108.800 0.016 0.000 2.157 819 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.248 819 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.248 819 G C -0.046 174.859 174.900 0.010 0.000 0.979 819 G CA 0.313 45.420 45.100 0.013 0.000 0.650 819 G HN 0.624 nan 8.290 nan 0.000 0.529 820 T N -0.745 113.815 114.554 0.010 0.000 2.916 820 T HA 0.663 5.013 4.350 -0.000 0.000 0.292 820 T C -1.274 173.429 174.700 0.006 0.000 1.055 820 T CA -0.836 61.268 62.100 0.007 0.000 1.009 820 T CB 2.751 71.624 68.868 0.008 0.000 1.118 820 T HN -0.105 nan 8.240 nan 0.000 0.497 821 P HA -0.089 nan 4.420 nan 0.000 0.217 821 P C 1.341 178.645 177.300 0.007 0.000 1.148 821 P CA 1.068 64.168 63.100 -0.000 0.000 0.834 821 P CB 0.001 31.698 31.700 -0.004 0.000 0.783 822 L N -0.781 120.448 121.223 0.010 0.000 2.465 822 L HA -0.003 4.336 4.340 -0.000 0.000 0.224 822 L C 1.165 178.053 176.870 0.031 0.000 1.145 822 L CA 0.132 54.983 54.840 0.017 0.000 0.834 822 L CB -1.132 40.931 42.059 0.007 0.000 0.944 822 L HN 0.001 nan 8.230 nan 0.000 0.451 823 D N 1.127 121.545 120.400 0.030 0.000 2.923 823 D HA -0.137 4.503 4.640 -0.000 0.000 0.220 823 D C 1.374 177.713 176.300 0.065 0.000 1.099 823 D CA 0.781 54.804 54.000 0.038 0.000 0.807 823 D CB 1.096 41.914 40.800 0.030 0.000 1.155 823 D HN 0.242 nan 8.370 nan 0.000 0.524 824 T N 0.759 115.350 114.554 0.062 0.000 2.985 824 T HA -0.063 4.287 4.350 -0.000 0.000 0.266 824 T C 0.960 175.717 174.700 0.094 0.000 1.076 824 T CA 0.745 62.894 62.100 0.081 0.000 1.135 824 T CB -0.020 68.885 68.868 0.062 0.000 0.890 824 T HN 0.724 nan 8.240 nan 0.000 0.480 825 E N -0.337 119.904 120.200 0.068 0.000 3.673 825 E HA -0.139 4.211 4.350 -0.000 0.000 0.309 825 E C -0.698 175.927 176.600 0.042 0.000 0.819 825 E CA 0.333 56.765 56.400 0.053 0.000 1.111 825 E CB -2.029 27.710 29.700 0.065 0.000 1.561 825 E HN 0.484 nan 8.360 nan 0.000 0.450 826 V N 2.286 122.233 119.914 0.054 0.000 2.470 826 V HA 0.176 4.296 4.120 -0.000 0.000 0.276 826 V C -1.420 174.681 176.094 0.012 0.000 1.040 826 V CA -0.991 61.342 62.300 0.055 0.000 1.008 826 V CB 0.263 32.164 31.823 0.130 0.000 0.990 826 V HN -0.002 nan 8.190 nan 0.000 0.477 827 P HA 0.136 nan 4.420 nan 0.000 0.271 827 P C 0.932 178.156 177.300 -0.127 0.000 1.226 827 P CA -0.291 62.773 63.100 -0.061 0.000 0.765 827 P CB 0.817 32.480 31.700 -0.062 0.000 0.835 828 M N 1.944 121.415 119.600 -0.215 0.000 2.088 828 M HA -0.202 4.277 4.480 -0.000 0.000 0.256 828 M C 1.847 177.597 176.300 -0.916 0.000 1.071 828 M CA 1.910 56.875 55.300 -0.558 0.000 1.097 828 M CB -1.571 30.712 32.600 -0.527 0.000 1.315 828 M HN 0.537 nan 8.290 nan 0.000 0.406 829 E N 0.035 119.936 120.200 -0.499 0.000 2.284 829 E HA -0.233 4.117 4.350 -0.000 0.000 0.200 829 E C 2.055 178.649 176.600 -0.009 0.000 1.008 829 E CA 1.220 57.529 56.400 -0.151 0.000 0.829 829 E CB 0.109 29.842 29.700 0.054 0.000 0.744 829 E HN 0.501 nan 8.360 nan 0.000 0.491 830 R N -0.375 120.103 120.500 -0.036 0.000 2.064 830 R HA -0.041 4.299 4.340 -0.000 0.000 0.221 830 R C 2.599 179.116 176.300 0.363 0.000 1.136 830 R CA 0.952 57.145 56.100 0.155 0.000 0.980 830 R CB -0.529 29.750 30.300 -0.036 0.000 0.876 830 R HN 0.112 nan 8.270 nan 0.000 0.437 831 V N 1.282 121.370 119.914 0.291 0.000 2.282 831 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 831 V C 1.840 178.192 176.094 0.430 0.000 1.057 831 V CA 1.812 64.364 62.300 0.421 0.000 1.032 831 V CB -0.597 31.377 31.823 0.252 0.000 0.645 831 V HN 0.296 nan 8.190 nan 0.000 0.447 832 F N 0.747 120.852 119.950 0.258 0.000 2.039 832 F HA -0.328 4.199 4.527 -0.000 0.000 0.296 832 F C 2.409 178.322 175.800 0.190 0.000 1.119 832 F CA 2.064 60.176 58.000 0.186 0.000 1.211 832 F CB -0.826 38.256 39.000 0.136 0.000 0.956 832 F HN 0.239 nan 8.300 nan 0.000 0.496 833 D N -1.062 119.572 120.400 0.389 0.000 2.182 833 D HA -0.213 4.427 4.640 -0.000 0.000 0.201 833 D C 1.697 178.096 176.300 0.164 0.000 0.986 833 D CA 1.167 55.286 54.000 0.198 0.000 0.847 833 D CB -0.454 40.404 40.800 0.097 0.000 0.942 833 D HN 0.301 nan 8.370 nan 0.000 0.467 834 Y N 0.959 121.379 120.300 0.201 0.000 2.153 834 Y HA -0.128 4.422 4.550 -0.000 0.000 0.289 834 Y C 2.503 178.646 175.900 0.404 0.000 1.127 834 Y CA 1.464 59.743 58.100 0.299 0.000 1.131 834 Y CB -0.816 37.985 38.460 0.568 0.000 0.995 834 Y HN -0.059 nan 8.280 nan 0.000 0.505 835 S N -0.107 115.786 115.700 0.323 0.000 2.374 835 S HA -0.279 4.191 4.470 -0.000 0.000 0.227 835 S C 2.136 176.844 174.600 0.181 0.000 1.037 835 S CA 1.850 60.180 58.200 0.217 0.000 1.024 835 S CB -0.642 62.696 63.200 0.231 0.000 0.861 835 S HN 0.677 nan 8.310 nan 0.000 0.456 836 E N -0.810 119.495 120.200 0.175 0.000 2.077 836 E HA -0.187 4.162 4.350 -0.000 0.000 0.193 836 E C 1.878 178.513 176.600 0.057 0.000 0.989 836 E CA 1.430 57.892 56.400 0.104 0.000 0.800 836 E CB -0.365 29.395 29.700 0.100 0.000 0.746 836 E HN 0.831 nan 8.360 nan 0.000 0.452 837 Y N -0.487 119.765 120.300 -0.081 0.000 2.165 837 Y HA -0.238 4.311 4.550 -0.000 0.000 0.286 837 Y C 1.768 177.512 175.900 -0.260 0.000 1.155 837 Y CA 1.987 59.956 58.100 -0.218 0.000 1.164 837 Y CB -0.711 37.538 38.460 -0.352 0.000 0.978 837 Y HN 0.077 nan 8.280 nan 0.000 0.513 838 W N 1.039 122.249 121.300 -0.149 0.000 2.425 838 W HA -0.075 4.585 4.660 -0.000 0.000 0.277 838 W C 2.512 178.907 176.519 -0.208 0.000 1.231 838 W CA 1.298 58.496 57.345 -0.246 0.000 1.248 838 W CB -0.191 29.155 29.460 -0.190 0.000 1.117 838 W HN 0.196 nan 8.180 nan 0.000 0.568 839 E N 0.053 120.284 120.200 0.052 0.000 2.051 839 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 839 E C 2.458 179.032 176.600 -0.043 0.000 0.991 839 E CA 1.660 58.072 56.400 0.020 0.000 0.799 839 E CB -0.575 29.134 29.700 0.015 0.000 0.748 839 E HN 0.235 nan 8.360 nan 0.000 0.449 840 G N 0.493 109.209 108.800 -0.140 0.000 2.404 840 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.215 840 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.215 840 G C 1.662 176.435 174.900 -0.211 0.000 1.174 840 G CA 0.867 45.861 45.100 -0.175 0.000 0.780 840 G HN 0.413 nan 8.290 nan 0.000 0.537 841 A N 0.677 123.250 122.820 -0.411 0.000 1.902 841 A HA -0.049 4.270 4.320 -0.000 0.000 0.217 841 A C 2.315 179.953 177.584 0.089 0.000 1.181 841 A CA 1.895 53.743 52.037 -0.315 0.000 0.623 841 A CB -0.478 18.062 19.000 -0.767 0.000 0.818 841 A HN 0.364 nan 8.150 nan 0.000 0.443 842 R N -0.467 120.119 120.500 0.143 0.000 2.120 842 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 842 R C 2.112 178.520 176.300 0.179 0.000 1.123 842 R CA 1.382 57.608 56.100 0.210 0.000 0.975 842 R CB -0.654 29.730 30.300 0.140 0.000 0.866 842 R HN 0.464 nan 8.270 nan 0.000 0.446 843 G N 0.619 109.465 108.800 0.077 0.000 2.498 843 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.219 843 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.219 843 G C 1.296 176.212 174.900 0.025 0.000 1.119 843 G CA 0.338 45.461 45.100 0.039 0.000 0.766 843 G HN 0.269 nan 8.290 nan 0.000 0.552 844 L N -1.402 119.835 121.223 0.023 0.000 2.418 844 L HA 0.174 4.514 4.340 -0.000 0.000 0.218 844 L C 1.125 177.860 176.870 -0.225 0.000 1.125 844 L CA 0.351 55.110 54.840 -0.135 0.000 0.835 844 L CB 0.087 42.003 42.059 -0.238 0.000 0.953 844 L HN 0.185 nan 8.230 nan 0.000 0.454 845 Y N -0.977 119.387 120.300 0.106 0.000 2.751 845 Y HA 0.326 4.875 4.550 -0.000 0.000 0.289 845 Y C 1.887 177.903 175.900 0.194 0.000 1.110 845 Y CA -0.180 58.059 58.100 0.231 0.000 1.251 845 Y CB -0.098 38.495 38.460 0.221 0.000 1.178 845 Y HN 0.017 nan 8.280 nan 0.000 0.540 846 A N 0.523 123.435 122.820 0.154 0.000 2.032 846 A HA -0.216 4.103 4.320 -0.000 0.000 0.221 846 A C 2.367 179.957 177.584 0.011 0.000 1.165 846 A CA 1.883 53.964 52.037 0.073 0.000 0.645 846 A CB -0.650 18.357 19.000 0.012 0.000 0.807 846 A HN 0.477 nan 8.150 nan 0.000 0.453 847 A N -2.167 120.575 122.820 -0.129 0.000 2.172 847 A HA 0.235 4.554 4.320 -0.000 0.000 0.216 847 A C 1.287 178.539 177.584 -0.553 0.000 1.154 847 A CA 1.064 52.834 52.037 -0.445 0.000 0.701 847 A CB -0.506 18.021 19.000 -0.788 0.000 0.789 847 A HN 0.555 nan 8.150 nan 0.000 0.465 848 F N -1.318 118.730 119.950 0.164 0.000 2.798 848 F HA 0.228 4.755 4.527 -0.000 0.000 0.328 848 F C 0.227 176.169 175.800 0.236 0.000 1.098 848 F CA -1.083 57.030 58.000 0.188 0.000 1.172 848 F CB 0.528 39.601 39.000 0.123 0.000 1.072 848 F HN -0.023 nan 8.300 nan 0.000 0.555 849 D N 1.384 121.962 120.400 0.297 0.000 2.371 849 D HA 0.002 4.642 4.640 -0.000 0.000 0.256 849 D C 1.495 177.847 176.300 0.087 0.000 1.193 849 D CA 0.134 54.239 54.000 0.174 0.000 0.881 849 D CB 1.366 42.224 40.800 0.096 0.000 1.143 849 D HN 0.430 nan 8.370 nan 0.000 0.473 850 C N 1.681 121.013 119.300 0.053 0.000 2.419 850 C HA -0.130 4.330 4.460 -0.000 0.000 0.281 850 C C 2.377 177.248 174.990 -0.198 0.000 1.336 850 C CA 0.989 59.947 59.018 -0.099 0.000 1.770 850 C CB -1.647 26.073 27.740 -0.033 0.000 1.929 850 C HN 0.741 nan 8.230 nan 0.000 0.509 851 T N -0.400 114.084 114.554 -0.117 0.000 3.025 851 T HA 0.041 4.390 4.350 -0.000 0.000 0.270 851 T C 1.854 176.473 174.700 -0.136 0.000 1.126 851 T CA 1.433 63.464 62.100 -0.116 0.000 1.105 851 T CB -0.600 68.227 68.868 -0.069 0.000 0.884 851 T HN 0.829 nan 8.240 nan 0.000 0.522 852 A N 1.881 124.596 122.820 -0.175 0.000 1.978 852 A HA -0.051 4.268 4.320 -0.000 0.000 0.220 852 A C 2.584 180.026 177.584 -0.238 0.000 1.170 852 A CA 2.227 54.148 52.037 -0.193 0.000 0.636 852 A CB -0.909 17.962 19.000 -0.215 0.000 0.810 852 A HN 0.795 nan 8.150 nan 0.000 0.448 853 T N -5.582 108.785 114.554 -0.312 0.000 3.115 853 T HA 0.362 4.712 4.350 -0.000 0.000 0.256 853 T C 0.718 175.352 174.700 -0.110 0.000 0.970 853 T CA -0.126 61.820 62.100 -0.256 0.000 1.010 853 T CB -0.172 68.418 68.868 -0.462 0.000 1.151 853 T HN 0.140 nan 8.240 nan 0.000 0.479 854 M N 2.943 122.445 119.600 -0.164 0.000 2.341 854 M HA 0.296 4.775 4.480 -0.000 0.000 0.336 854 M C 0.420 176.619 176.300 -0.169 0.000 1.489 854 M CA -0.274 54.862 55.300 -0.273 0.000 1.278 854 M CB 0.728 33.097 32.600 -0.385 0.000 1.657 854 M HN 0.065 nan 8.290 nan 0.000 0.455 855 K N 0.934 121.261 120.400 -0.122 0.000 2.393 855 K HA 0.141 4.460 4.320 -0.000 0.000 0.193 855 K C 0.473 177.024 176.600 -0.083 0.000 1.026 855 K CA 0.179 56.415 56.287 -0.085 0.000 1.064 855 K CB 0.100 32.569 32.500 -0.053 0.000 0.833 855 K HN 0.711 nan 8.250 nan 0.000 0.521 856 S N -1.534 114.102 115.700 -0.107 0.000 2.703 856 S HA 0.592 5.062 4.470 -0.000 0.000 0.273 856 S C 0.157 174.671 174.600 -0.143 0.000 1.178 856 S CA -0.603 57.537 58.200 -0.100 0.000 0.838 856 S CB 1.017 64.178 63.200 -0.065 0.000 1.178 856 S HN 0.087 nan 8.310 nan 0.000 0.494 857 G N 0.131 108.850 108.800 -0.134 0.000 2.588 857 G HA2 0.521 4.481 3.960 -0.000 0.000 0.278 857 G HA3 0.521 4.481 3.960 -0.000 0.000 0.278 857 G C -0.759 174.046 174.900 -0.158 0.000 1.307 857 G CA -0.414 44.577 45.100 -0.181 0.000 1.016 857 G HN 0.790 nan 8.290 nan 0.000 0.503 858 N N -1.563 117.019 118.700 -0.197 0.000 2.616 858 N HA 0.080 4.819 4.740 -0.000 0.000 0.281 858 N C 0.785 176.210 175.510 -0.142 0.000 1.145 858 N CA 0.033 53.008 53.050 -0.125 0.000 0.919 858 N CB 1.653 40.093 38.487 -0.078 0.000 1.509 858 N HN 0.346 nan 8.380 nan 0.000 0.537 859 S N 1.000 116.664 115.700 -0.061 0.000 2.547 859 S HA -0.141 4.329 4.470 -0.000 0.000 0.235 859 S C 1.041 175.625 174.600 -0.028 0.000 0.980 859 S CA 0.982 59.154 58.200 -0.046 0.000 0.941 859 S CB -0.202 63.090 63.200 0.153 0.000 0.763 859 S HN 0.635 nan 8.310 nan 0.000 0.532 860 D N 1.947 122.348 120.400 0.002 0.000 2.392 860 D HA -0.062 4.578 4.640 -0.000 0.000 0.228 860 D C 1.542 177.860 176.300 0.030 0.000 1.003 860 D CA 0.372 54.399 54.000 0.046 0.000 0.917 860 D CB -0.738 40.092 40.800 0.050 0.000 0.890 860 D HN 0.395 nan 8.370 nan 0.000 0.532 861 V N -0.003 119.869 119.914 -0.070 0.000 2.469 861 V HA -0.303 3.816 4.120 -0.000 0.000 0.251 861 V C 2.042 178.083 176.094 -0.087 0.000 1.064 861 V CA 1.558 63.801 62.300 -0.096 0.000 1.066 861 V CB -1.240 30.415 31.823 -0.280 0.000 0.667 861 V HN 0.200 nan 8.190 nan 0.000 0.461 862 Y N 0.358 120.679 120.300 0.035 0.000 2.256 862 Y HA -0.231 4.318 4.550 -0.000 0.000 0.288 862 Y C 2.732 178.652 175.900 0.034 0.000 1.155 862 Y CA 1.876 59.996 58.100 0.033 0.000 1.203 862 Y CB -0.037 38.439 38.460 0.028 0.000 0.980 862 Y HN 0.299 nan 8.280 nan 0.000 0.530 863 E N 0.418 120.717 120.200 0.165 0.000 2.042 863 E HA -0.157 4.193 4.350 -0.000 0.000 0.189 863 E C 1.803 178.454 176.600 0.083 0.000 0.974 863 E CA 1.067 57.530 56.400 0.105 0.000 0.806 863 E CB -0.127 29.618 29.700 0.075 0.000 0.769 863 E HN 0.665 nan 8.360 nan 0.000 0.451 864 N N 0.039 118.776 118.700 0.062 0.000 2.376 864 N HA -0.123 4.617 4.740 -0.000 0.000 0.177 864 N C -0.139 175.444 175.510 0.122 0.000 1.024 864 N CA 0.666 53.755 53.050 0.065 0.000 0.893 864 N CB 0.047 38.499 38.487 -0.058 0.000 0.980 864 N HN 0.077 nan 8.380 nan 0.000 0.439 865 E N 0.335 120.588 120.200 0.088 0.000 2.637 865 E HA -0.144 4.206 4.350 -0.000 0.000 0.265 865 E C -0.789 175.889 176.600 0.130 0.000 1.073 865 E CA 0.208 56.667 56.400 0.098 0.000 0.778 865 E CB -1.547 28.218 29.700 0.108 0.000 1.362 865 E HN 0.556 nan 8.360 nan 0.000 0.413 866 I N 1.962 122.551 120.570 0.031 0.000 2.396 866 I HA 0.188 4.358 4.170 -0.000 0.000 0.289 866 I C -1.654 174.500 176.117 0.061 0.000 1.056 866 I CA -1.960 59.294 61.300 -0.076 0.000 1.365 866 I CB 0.240 37.993 38.000 -0.412 0.000 1.407 866 I HN -0.167 nan 8.210 nan 0.000 0.509 867 P HA 0.080 nan 4.420 nan 0.000 0.275 867 P C 0.887 178.114 177.300 -0.121 0.000 1.228 867 P CA -0.123 62.937 63.100 -0.067 0.000 0.786 867 P CB 0.980 32.651 31.700 -0.047 0.000 0.927 868 G N 3.171 111.758 108.800 -0.354 0.000 2.839 868 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.221 868 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.221 868 G C 1.655 176.480 174.900 -0.125 0.000 1.271 868 G CA 1.533 46.433 45.100 -0.334 0.000 0.789 868 G HN 0.634 nan 8.290 nan 0.000 0.659 869 G N 0.145 108.865 108.800 -0.135 0.000 2.766 869 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.222 869 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.222 869 G C 1.770 176.692 174.900 0.036 0.000 1.225 869 G CA 1.769 46.857 45.100 -0.021 0.000 0.784 869 G HN 0.628 nan 8.290 nan 0.000 0.631 870 Q N -1.198 118.630 119.800 0.046 0.000 2.061 870 Q HA -0.229 4.111 4.340 -0.000 0.000 0.204 870 Q C 2.321 178.373 176.000 0.087 0.000 0.984 870 Q CA 1.833 57.680 55.803 0.073 0.000 0.846 870 Q CB -0.359 28.431 28.738 0.087 0.000 0.902 870 Q HN 0.594 nan 8.270 nan 0.000 0.421 871 Y N 0.597 120.876 120.300 -0.036 0.000 2.102 871 Y HA -0.301 4.249 4.550 -0.000 0.000 0.280 871 Y C 2.574 178.472 175.900 -0.002 0.000 1.178 871 Y CA 2.162 60.263 58.100 0.002 0.000 1.146 871 Y CB -0.714 37.721 38.460 -0.043 0.000 0.968 871 Y HN 0.188 nan 8.280 nan 0.000 0.504 872 T N -0.428 114.263 114.554 0.229 0.000 2.951 872 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 872 T C 1.605 176.401 174.700 0.159 0.000 1.073 872 T CA 1.552 63.741 62.100 0.147 0.000 1.134 872 T CB -0.223 68.694 68.868 0.082 0.000 0.884 872 T HN 0.401 nan 8.240 nan 0.000 0.479 873 N N 1.321 120.093 118.700 0.120 0.000 2.148 873 N HA 0.103 4.843 4.740 -0.000 0.000 0.186 873 N C 1.984 177.519 175.510 0.043 0.000 1.031 873 N CA 0.921 54.035 53.050 0.106 0.000 0.848 873 N CB -0.769 37.756 38.487 0.062 0.000 1.005 873 N HN 0.344 nan 8.380 nan 0.000 0.427 874 L N 0.893 122.101 121.223 -0.026 0.000 1.990 874 L HA -0.247 4.093 4.340 -0.000 0.000 0.213 874 L C 2.554 179.154 176.870 -0.450 0.000 1.072 874 L CA 1.593 56.365 54.840 -0.114 0.000 0.755 874 L CB -0.778 41.286 42.059 0.009 0.000 0.889 874 L HN 0.416 nan 8.230 nan 0.000 0.432 875 H N -0.094 118.396 119.070 -0.965 0.000 2.319 875 H HA -0.277 4.279 4.556 -0.000 0.000 0.297 875 H C 2.312 177.401 175.328 -0.399 0.000 1.097 875 H CA 2.333 57.629 56.048 -1.254 0.000 1.285 875 H CB -0.314 28.981 29.762 -0.778 0.000 1.368 875 H HN 0.296 nan 8.280 nan 0.000 0.495 876 F N 1.348 121.163 119.950 -0.226 0.000 2.025 876 F HA -0.308 4.219 4.527 -0.000 0.000 0.297 876 F C 3.236 178.942 175.800 -0.156 0.000 1.132 876 F CA 1.883 59.799 58.000 -0.140 0.000 1.191 876 F CB -0.207 38.761 39.000 -0.053 0.000 0.963 876 F HN 0.238 nan 8.300 nan 0.000 0.481 877 Q N -0.218 119.673 119.800 0.152 0.000 2.112 877 Q HA -0.280 4.060 4.340 -0.000 0.000 0.206 877 Q C 2.194 178.204 176.000 0.016 0.000 0.987 877 Q CA 1.702 57.535 55.803 0.051 0.000 0.858 877 Q CB -0.327 28.414 28.738 0.004 0.000 0.905 877 Q HN 0.551 nan 8.270 nan 0.000 0.420 878 A N -0.423 122.365 122.820 -0.054 0.000 1.930 878 A HA -0.143 4.176 4.320 -0.000 0.000 0.215 878 A C 1.689 179.217 177.584 -0.094 0.000 1.176 878 A CA 0.918 52.920 52.037 -0.057 0.000 0.632 878 A CB -0.522 18.462 19.000 -0.026 0.000 0.819 878 A HN 0.410 nan 8.150 nan 0.000 0.445 879 H N 0.376 119.312 119.070 -0.223 0.000 2.260 879 H HA -0.103 4.453 4.556 -0.000 0.000 0.304 879 H C 2.857 178.132 175.328 -0.088 0.000 1.059 879 H CA 2.074 58.002 56.048 -0.200 0.000 1.305 879 H CB -0.321 29.217 29.762 -0.374 0.000 1.388 879 H HN 0.662 nan 8.280 nan 0.000 0.496 880 S N 0.934 116.707 115.700 0.121 0.000 2.383 880 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 880 S C 1.332 175.980 174.600 0.080 0.000 1.030 880 S CA 0.832 59.117 58.200 0.141 0.000 1.002 880 S CB -0.215 63.195 63.200 0.351 0.000 0.829 880 S HN 0.281 nan 8.310 nan 0.000 0.467 881 M N 1.438 121.072 119.600 0.055 0.000 2.149 881 M HA 0.536 5.016 4.480 -0.000 0.000 0.342 881 M C 0.698 176.998 176.300 -0.001 0.000 1.068 881 M CA 0.620 55.932 55.300 0.021 0.000 0.991 881 M CB 0.798 33.407 32.600 0.014 0.000 1.596 881 M HN 0.587 nan 8.290 nan 0.000 0.439 882 G N 4.434 113.230 108.800 -0.007 0.000 2.596 882 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.258 882 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.258 882 G C -1.041 173.839 174.900 -0.032 0.000 1.207 882 G CA -0.146 44.942 45.100 -0.020 0.000 0.954 882 G HN 0.769 nan 8.290 nan 0.000 0.551 883 L N 0.738 121.926 121.223 -0.057 0.000 2.354 883 L HA 0.640 4.979 4.340 -0.000 0.000 0.264 883 L C 1.921 178.685 176.870 -0.176 0.000 1.008 883 L CA -0.420 54.369 54.840 -0.084 0.000 0.819 883 L CB 1.782 43.801 42.059 -0.066 0.000 1.339 883 L HN 0.987 nan 8.230 nan 0.000 0.420 884 G N 0.429 109.068 108.800 -0.267 0.000 2.556 884 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.220 884 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.220 884 G C 1.166 175.658 174.900 -0.681 0.000 1.156 884 G CA 1.365 46.026 45.100 -0.732 0.000 0.766 884 G HN 0.689 nan 8.290 nan 0.000 0.583 885 S N 0.526 116.055 115.700 -0.286 0.000 2.701 885 S HA 0.181 4.651 4.470 -0.000 0.000 0.220 885 S C 1.708 176.276 174.600 -0.053 0.000 0.954 885 S CA 0.319 58.442 58.200 -0.129 0.000 0.936 885 S CB 0.269 63.428 63.200 -0.068 0.000 0.777 885 S HN 0.352 nan 8.310 nan 0.000 0.518 886 K N 1.000 121.367 120.400 -0.055 0.000 2.211 886 K HA 0.033 4.353 4.320 -0.000 0.000 0.203 886 K C 1.351 178.003 176.600 0.087 0.000 1.050 886 K CA 0.413 56.702 56.287 0.002 0.000 0.945 886 K CB -0.668 31.827 32.500 -0.008 0.000 0.732 886 K HN 0.432 nan 8.250 nan 0.000 0.451 887 F N 3.539 123.431 119.950 -0.097 0.000 2.091 887 F HA -0.236 4.291 4.527 -0.000 0.000 0.299 887 F C 2.327 178.101 175.800 -0.044 0.000 1.103 887 F CA 1.436 59.401 58.000 -0.058 0.000 1.228 887 F CB -0.420 38.566 39.000 -0.023 0.000 0.984 887 F HN 0.024 nan 8.300 nan 0.000 0.477 888 K N 0.438 120.798 120.400 -0.067 0.000 2.074 888 K HA -0.243 4.077 4.320 -0.000 0.000 0.209 888 K C 1.929 178.456 176.600 -0.121 0.000 1.048 888 K CA 2.106 58.292 56.287 -0.168 0.000 0.926 888 K CB -0.325 32.128 32.500 -0.079 0.000 0.713 888 K HN 0.430 nan 8.250 nan 0.000 0.444 889 E N 0.176 120.347 120.200 -0.049 0.000 2.077 889 E HA -0.153 4.196 4.350 -0.000 0.000 0.193 889 E C 2.075 178.670 176.600 -0.007 0.000 0.989 889 E CA 1.402 57.788 56.400 -0.023 0.000 0.800 889 E CB -0.021 29.676 29.700 -0.006 0.000 0.746 889 E HN 0.115 nan 8.360 nan 0.000 0.452 890 V N 1.717 121.645 119.914 0.022 0.000 2.332 890 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 890 V C 2.119 178.221 176.094 0.013 0.000 1.055 890 V CA 1.934 64.277 62.300 0.071 0.000 1.038 890 V CB -0.437 31.500 31.823 0.189 0.000 0.651 890 V HN 0.189 nan 8.190 nan 0.000 0.450 891 K N -0.010 120.278 120.400 -0.186 0.000 2.026 891 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 891 K C 2.259 178.818 176.600 -0.069 0.000 1.048 891 K CA 1.464 57.596 56.287 -0.259 0.000 0.929 891 K CB -0.246 31.940 32.500 -0.523 0.000 0.713 891 K HN 0.379 nan 8.250 nan 0.000 0.439 892 K N 0.306 120.668 120.400 -0.064 0.000 2.147 892 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 892 K C 2.160 178.775 176.600 0.025 0.000 1.049 892 K CA 1.176 57.454 56.287 -0.016 0.000 0.936 892 K CB -0.088 32.398 32.500 -0.023 0.000 0.722 892 K HN 0.154 nan 8.250 nan 0.000 0.446 893 A N 0.489 123.335 122.820 0.043 0.000 1.898 893 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 893 A C 1.990 179.629 177.584 0.092 0.000 1.181 893 A CA 1.067 53.143 52.037 0.065 0.000 0.620 893 A CB -0.759 18.287 19.000 0.076 0.000 0.819 893 A HN 0.368 nan 8.150 nan 0.000 0.442 894 Y N 0.596 120.887 120.300 -0.015 0.000 2.207 894 Y HA -0.229 4.320 4.550 -0.000 0.000 0.287 894 Y C 2.378 178.267 175.900 -0.019 0.000 1.156 894 Y CA 2.027 60.119 58.100 -0.014 0.000 1.182 894 Y CB -0.077 38.364 38.460 -0.032 0.000 0.979 894 Y HN 0.104 nan 8.280 nan 0.000 0.521 895 V N -0.042 119.969 119.914 0.160 0.000 2.358 895 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 895 V C 1.988 178.091 176.094 0.014 0.000 1.047 895 V CA 2.221 64.573 62.300 0.087 0.000 1.035 895 V CB -0.532 31.331 31.823 0.066 0.000 0.658 895 V HN 0.386 nan 8.190 nan 0.000 0.452 896 E N 0.360 120.563 120.200 0.005 0.000 2.072 896 E HA -0.118 4.231 4.350 -0.000 0.000 0.191 896 E C 2.343 178.907 176.600 -0.060 0.000 0.985 896 E CA 1.169 57.555 56.400 -0.022 0.000 0.801 896 E CB -0.348 29.346 29.700 -0.011 0.000 0.750 896 E HN 0.579 nan 8.360 nan 0.000 0.452 897 A N 1.593 124.371 122.820 -0.070 0.000 1.940 897 A HA -0.279 4.040 4.320 -0.000 0.000 0.219 897 A C 1.948 179.439 177.584 -0.154 0.000 1.176 897 A CA 1.907 53.875 52.037 -0.115 0.000 0.631 897 A CB -0.739 18.180 19.000 -0.134 0.000 0.814 897 A HN 0.219 nan 8.150 nan 0.000 0.446 898 N N -0.743 117.854 118.700 -0.171 0.000 2.069 898 N HA -0.209 4.531 4.740 -0.000 0.000 0.191 898 N C 1.894 177.367 175.510 -0.061 0.000 1.031 898 N CA 1.983 54.956 53.050 -0.129 0.000 0.852 898 N CB -0.229 38.206 38.487 -0.087 0.000 1.018 898 N HN 0.353 nan 8.380 nan 0.000 0.423 899 Q N 0.005 119.774 119.800 -0.052 0.000 2.084 899 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 899 Q C 2.145 178.102 176.000 -0.073 0.000 0.978 899 Q CA 1.149 56.927 55.803 -0.042 0.000 0.844 899 Q CB -0.460 28.255 28.738 -0.038 0.000 0.898 899 Q HN 0.546 nan 8.270 nan 0.000 0.426 900 M N -0.450 119.072 119.600 -0.130 0.000 2.159 900 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 900 M C 1.324 177.504 176.300 -0.200 0.000 1.063 900 M CA 1.167 56.312 55.300 -0.259 0.000 1.110 900 M CB 0.092 32.492 32.600 -0.334 0.000 1.374 900 M HN 0.104 nan 8.290 nan 0.000 0.411 901 L N -1.071 120.118 121.223 -0.058 0.000 2.611 901 L HA 0.210 4.549 4.340 -0.000 0.000 0.229 901 L C 0.944 177.928 176.870 0.190 0.000 1.137 901 L CA 0.273 55.192 54.840 0.131 0.000 0.901 901 L CB -0.003 42.117 42.059 0.102 0.000 1.098 901 L HN 0.606 nan 8.230 nan 0.000 0.456 902 G N -0.112 108.739 108.800 0.086 0.000 2.143 902 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.175 902 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.175 902 G C 0.075 175.012 174.900 0.061 0.000 1.004 902 G CA -0.175 44.972 45.100 0.079 0.000 0.671 902 G HN 0.403 nan 8.290 nan 0.000 0.512 903 D N -0.734 119.698 120.400 0.052 0.000 3.357 903 D HA -0.145 4.495 4.640 -0.000 0.000 0.238 903 D C 0.542 176.937 176.300 0.160 0.000 1.126 903 D CA 1.230 55.278 54.000 0.080 0.000 0.984 903 D CB -1.130 39.713 40.800 0.072 0.000 0.925 903 D HN 0.799 nan 8.370 nan 0.000 0.414 904 L N 2.021 123.305 121.223 0.103 0.000 2.375 904 L HA 0.531 4.871 4.340 -0.000 0.000 0.268 904 L C 1.197 178.081 176.870 0.024 0.000 1.058 904 L CA -1.349 53.559 54.840 0.113 0.000 0.803 904 L CB 0.872 42.953 42.059 0.037 0.000 1.212 904 L HN 0.155 nan 8.230 nan 0.000 0.451 905 I N 1.783 122.348 120.570 -0.009 0.000 2.517 905 I HA 0.019 4.189 4.170 -0.000 0.000 0.285 905 I C 0.170 176.292 176.117 0.009 0.000 1.106 905 I CA 0.421 61.667 61.300 -0.090 0.000 1.402 905 I CB 0.061 38.040 38.000 -0.035 0.000 1.399 905 I HN 0.418 nan 8.210 nan 0.000 0.535 906 K N 6.928 127.338 120.400 0.015 0.000 2.419 906 K HA 0.504 4.824 4.320 -0.000 0.000 0.244 906 K C -0.896 175.768 176.600 0.107 0.000 1.045 906 K CA -0.384 55.938 56.287 0.058 0.000 1.004 906 K CB 0.990 33.538 32.500 0.080 0.000 1.376 906 K HN 0.473 nan 8.250 nan 0.000 0.460 907 V N -1.410 118.594 119.914 0.149 0.000 3.119 907 V HA 0.455 4.574 4.120 -0.000 0.000 0.311 907 V C 0.172 176.424 176.094 0.264 0.000 1.259 907 V CA -1.217 61.212 62.300 0.215 0.000 1.067 907 V CB 1.586 33.604 31.823 0.325 0.000 1.123 907 V HN 0.375 nan 8.190 nan 0.000 0.463 908 T N 2.953 117.720 114.554 0.355 0.000 2.901 908 T HA 0.281 4.631 4.350 -0.000 0.000 0.301 908 T C -1.641 173.206 174.700 0.244 0.000 1.012 908 T CA -0.355 61.938 62.100 0.321 0.000 1.135 908 T CB 1.312 70.387 68.868 0.344 0.000 0.936 908 T HN 0.750 nan 8.240 nan 0.000 0.539 909 P HA -0.039 nan 4.420 nan 0.000 0.227 909 P C 1.726 179.089 177.300 0.106 0.000 1.161 909 P CA 0.471 63.697 63.100 0.209 0.000 0.788 909 P CB 0.022 31.846 31.700 0.208 0.000 0.822 910 S N 1.216 116.951 115.700 0.058 0.000 2.413 910 S HA -0.214 4.256 4.470 -0.000 0.000 0.237 910 S C 2.067 176.613 174.600 -0.089 0.000 1.044 910 S CA 2.194 60.349 58.200 -0.076 0.000 1.024 910 S CB -1.757 61.410 63.200 -0.054 0.000 0.829 910 S HN 0.358 nan 8.310 nan 0.000 0.475 911 S N 1.418 117.136 115.700 0.029 0.000 2.406 911 S HA 0.072 4.541 4.470 -0.000 0.000 0.228 911 S C 1.798 176.447 174.600 0.082 0.000 1.020 911 S CA 0.858 59.101 58.200 0.072 0.000 0.965 911 S CB -0.443 62.861 63.200 0.172 0.000 0.798 911 S HN 0.647 nan 8.310 nan 0.000 0.488 912 K N 1.080 121.524 120.400 0.074 0.000 2.155 912 K HA 0.137 4.457 4.320 -0.000 0.000 0.203 912 K C 1.888 178.484 176.600 -0.007 0.000 1.052 912 K CA 1.063 57.379 56.287 0.048 0.000 0.948 912 K CB -0.283 32.235 32.500 0.029 0.000 0.728 912 K HN 0.408 nan 8.250 nan 0.000 0.448 913 I N 0.056 120.590 120.570 -0.061 0.000 2.202 913 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 913 I C 2.060 178.090 176.117 -0.144 0.000 1.091 913 I CA 0.808 62.036 61.300 -0.119 0.000 1.368 913 I CB -0.120 37.727 38.000 -0.255 0.000 1.058 913 I HN -0.054 nan 8.210 nan 0.000 0.410 914 V N 0.976 120.757 119.914 -0.222 0.000 2.343 914 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 914 V C 2.560 178.519 176.094 -0.225 0.000 1.051 914 V CA 2.256 64.369 62.300 -0.311 0.000 1.036 914 V CB -1.417 30.081 31.823 -0.541 0.000 0.654 914 V HN 0.592 nan 8.190 nan 0.000 0.451 915 G N -0.673 108.087 108.800 -0.067 0.000 2.422 915 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 915 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 915 G C 1.226 176.194 174.900 0.114 0.000 1.146 915 G CA 1.017 46.209 45.100 0.153 0.000 0.769 915 G HN 0.493 nan 8.290 nan 0.000 0.547 916 D N -0.157 120.284 120.400 0.067 0.000 2.149 916 D HA -0.103 4.536 4.640 -0.000 0.000 0.198 916 D C 2.304 178.686 176.300 0.138 0.000 0.990 916 D CA 0.550 54.600 54.000 0.085 0.000 0.839 916 D CB -0.196 40.631 40.800 0.044 0.000 0.948 916 D HN 0.254 nan 8.370 nan 0.000 0.460 917 L N 0.163 121.451 121.223 0.109 0.000 2.109 917 L HA 0.093 4.433 4.340 -0.000 0.000 0.207 917 L C 1.972 178.984 176.870 0.236 0.000 1.086 917 L CA 1.464 56.417 54.840 0.189 0.000 0.760 917 L CB -0.727 41.402 42.059 0.117 0.000 0.910 917 L HN -0.025 nan 8.230 nan 0.000 0.437 918 A N -0.942 121.964 122.820 0.144 0.000 1.855 918 A HA -0.252 4.068 4.320 -0.000 0.000 0.215 918 A C 2.211 179.893 177.584 0.163 0.000 1.191 918 A CA 1.709 53.835 52.037 0.148 0.000 0.613 918 A CB -0.695 18.406 19.000 0.168 0.000 0.829 918 A HN 0.561 nan 8.150 nan 0.000 0.442 919 Q N -1.668 118.233 119.800 0.169 0.000 2.133 919 Q HA -0.229 4.111 4.340 -0.000 0.000 0.208 919 Q C 1.827 177.912 176.000 0.141 0.000 0.991 919 Q CA 2.036 57.924 55.803 0.141 0.000 0.867 919 Q CB -0.387 28.430 28.738 0.133 0.000 0.911 919 Q HN 0.752 nan 8.270 nan 0.000 0.417 920 F N 0.177 120.160 119.950 0.055 0.000 2.134 920 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 920 F C 1.894 177.706 175.800 0.020 0.000 1.097 920 F CA 1.445 59.466 58.000 0.036 0.000 1.264 920 F CB -0.010 39.025 39.000 0.057 0.000 1.001 920 F HN 0.030 nan 8.300 nan 0.000 0.479 921 M N -0.168 119.476 119.600 0.074 0.000 2.229 921 M HA -0.113 4.367 4.480 -0.000 0.000 0.264 921 M C 2.198 178.437 176.300 -0.100 0.000 1.063 921 M CA 1.632 56.914 55.300 -0.029 0.000 1.114 921 M CB -0.342 32.323 32.600 0.108 0.000 1.387 921 M HN 0.276 nan 8.290 nan 0.000 0.420 922 V N -2.164 117.719 119.914 -0.052 0.000 2.649 922 V HA -0.142 3.978 4.120 -0.000 0.000 0.248 922 V C 1.784 177.825 176.094 -0.088 0.000 1.054 922 V CA 1.138 63.410 62.300 -0.047 0.000 1.073 922 V CB -0.944 30.880 31.823 0.001 0.000 0.699 922 V HN 0.447 nan 8.190 nan 0.000 0.463 923 Q N 1.138 120.865 119.800 -0.122 0.000 2.197 923 Q HA -0.220 4.120 4.340 -0.000 0.000 0.207 923 Q C 1.585 177.469 176.000 -0.194 0.000 0.984 923 Q CA 2.377 58.093 55.803 -0.146 0.000 0.869 923 Q CB -0.275 28.361 28.738 -0.171 0.000 0.906 923 Q HN 0.832 nan 8.270 nan 0.000 0.426 924 N N -1.687 116.846 118.700 -0.278 0.000 2.184 924 N HA 0.160 4.899 4.740 -0.000 0.000 0.206 924 N C -0.090 175.321 175.510 -0.166 0.000 1.151 924 N CA 0.388 53.277 53.050 -0.267 0.000 0.878 924 N CB 1.521 39.739 38.487 -0.449 0.000 1.014 924 N HN 0.221 nan 8.380 nan 0.000 0.512 925 G N 1.429 110.153 108.800 -0.126 0.000 2.333 925 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.296 925 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.296 925 G C -0.540 174.322 174.900 -0.063 0.000 1.059 925 G CA 0.003 45.058 45.100 -0.075 0.000 1.050 925 G HN 0.220 nan 8.290 nan 0.000 0.508 926 L N 1.188 122.372 121.223 -0.064 0.000 2.298 926 L HA 0.435 4.775 4.340 -0.000 0.000 0.284 926 L C 0.847 177.722 176.870 0.008 0.000 1.013 926 L CA -0.792 54.033 54.840 -0.025 0.000 0.824 926 L CB 1.679 43.725 42.059 -0.022 0.000 1.221 926 L HN 0.270 nan 8.230 nan 0.000 0.418 927 S N 2.109 117.817 115.700 0.013 0.000 2.584 927 S HA 0.128 4.598 4.470 -0.000 0.000 0.270 927 S C 1.179 175.797 174.600 0.031 0.000 1.346 927 S CA -0.580 57.631 58.200 0.017 0.000 1.018 927 S CB 1.233 64.441 63.200 0.012 0.000 0.899 927 S HN 0.660 nan 8.310 nan 0.000 0.542 928 R N 1.068 121.579 120.500 0.019 0.000 2.119 928 R HA -0.226 4.114 4.340 -0.000 0.000 0.246 928 R C 2.090 178.395 176.300 0.009 0.000 1.146 928 R CA 1.788 57.891 56.100 0.004 0.000 0.962 928 R CB -0.731 29.558 30.300 -0.018 0.000 0.863 928 R HN 0.782 nan 8.270 nan 0.000 0.442 929 A N 0.370 123.199 122.820 0.014 0.000 2.014 929 A HA -0.093 4.226 4.320 -0.000 0.000 0.218 929 A C 1.832 179.442 177.584 0.044 0.000 1.163 929 A CA 1.094 53.144 52.037 0.022 0.000 0.652 929 A CB -0.192 18.818 19.000 0.016 0.000 0.808 929 A HN 0.485 nan 8.150 nan 0.000 0.449 930 E N -0.142 120.085 120.200 0.046 0.000 2.046 930 E HA -0.069 4.281 4.350 -0.000 0.000 0.190 930 E C 2.336 178.996 176.600 0.101 0.000 0.982 930 E CA 0.897 57.331 56.400 0.057 0.000 0.800 930 E CB -0.238 29.484 29.700 0.037 0.000 0.756 930 E HN 0.588 nan 8.360 nan 0.000 0.449 931 A N 1.342 124.240 122.820 0.129 0.000 1.930 931 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 931 A C 1.913 179.704 177.584 0.345 0.000 1.175 931 A CA 1.307 53.489 52.037 0.242 0.000 0.627 931 A CB -0.320 18.848 19.000 0.280 0.000 0.815 931 A HN 0.145 nan 8.150 nan 0.000 0.443 932 E N -0.393 119.935 120.200 0.214 0.000 2.072 932 E HA -0.059 4.291 4.350 -0.000 0.000 0.190 932 E C 2.236 178.985 176.600 0.248 0.000 0.982 932 E CA 0.787 57.337 56.400 0.249 0.000 0.803 932 E CB -0.232 29.511 29.700 0.072 0.000 0.755 932 E HN 0.597 nan 8.360 nan 0.000 0.453 933 A N 0.698 123.614 122.820 0.160 0.000 2.070 933 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 933 A C 1.833 179.497 177.584 0.133 0.000 1.159 933 A CA 1.221 53.332 52.037 0.122 0.000 0.656 933 A CB -0.128 18.922 19.000 0.082 0.000 0.800 933 A HN 0.158 nan 8.150 nan 0.000 0.453 934 Q N -1.648 118.258 119.800 0.177 0.000 2.247 934 Q HA 0.371 4.711 4.340 -0.000 0.000 0.211 934 Q C 1.962 178.095 176.000 0.222 0.000 0.861 934 Q CA 0.351 56.250 55.803 0.160 0.000 0.949 934 Q CB 0.131 28.944 28.738 0.125 0.000 1.115 934 Q HN 0.632 nan 8.270 nan 0.000 0.507 935 A N 1.230 124.251 122.820 0.335 0.000 1.940 935 A HA -0.322 3.998 4.320 -0.000 0.000 0.221 935 A C 1.818 179.548 177.584 0.244 0.000 1.190 935 A CA 2.017 54.314 52.037 0.433 0.000 0.647 935 A CB -0.368 18.790 19.000 0.263 0.000 0.821 935 A HN 0.432 nan 8.150 nan 0.000 0.457 936 E N -1.078 119.196 120.200 0.122 0.000 2.204 936 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 936 E C 1.918 178.554 176.600 0.060 0.000 0.989 936 E CA 1.323 57.757 56.400 0.057 0.000 0.824 936 E CB 0.006 29.725 29.700 0.032 0.000 0.756 936 E HN 0.823 nan 8.360 nan 0.000 0.477 937 E N -0.625 119.619 120.200 0.074 0.000 2.290 937 E HA 0.059 4.408 4.350 -0.000 0.000 0.197 937 E C -0.039 176.582 176.600 0.035 0.000 0.948 937 E CA -0.105 56.323 56.400 0.046 0.000 0.895 937 E CB 0.247 29.969 29.700 0.037 0.000 0.865 937 E HN 0.096 nan 8.360 nan 0.000 0.486 938 L N 2.754 123.996 121.223 0.033 0.000 2.410 938 L HA 0.168 4.508 4.340 -0.000 0.000 0.273 938 L C -0.127 176.670 176.870 -0.121 0.000 1.152 938 L CA -0.500 54.286 54.840 -0.090 0.000 0.855 938 L CB 1.042 42.920 42.059 -0.301 0.000 1.129 938 L HN 0.140 nan 8.230 nan 0.000 0.463 939 S N 2.678 118.318 115.700 -0.100 0.000 2.400 939 S HA 0.455 4.925 4.470 -0.000 0.000 0.295 939 S C -0.367 174.064 174.600 -0.282 0.000 1.113 939 S CA -0.775 57.380 58.200 -0.074 0.000 1.064 939 S CB -0.132 63.063 63.200 -0.008 0.000 0.990 939 S HN 0.246 nan 8.310 nan 0.000 0.502 940 F N 2.564 122.332 119.950 -0.303 0.000 2.406 940 F HA 0.409 4.935 4.527 -0.000 0.000 0.327 940 F C -1.720 173.859 175.800 -0.367 0.000 1.153 940 F CA -2.008 55.644 58.000 -0.580 0.000 1.218 940 F CB -0.291 38.483 39.000 -0.377 0.000 1.215 940 F HN 0.339 nan 8.300 nan 0.000 0.570 941 P HA 0.016 nan 4.420 nan 0.000 0.266 941 P C 0.544 177.849 177.300 0.009 0.000 1.193 941 P CA 0.074 63.146 63.100 -0.046 0.000 0.770 941 P CB 0.553 32.248 31.700 -0.008 0.000 0.836 942 R N 2.332 122.845 120.500 0.021 0.000 2.091 942 R HA -0.179 4.161 4.340 -0.000 0.000 0.238 942 R C 2.170 178.502 176.300 0.053 0.000 1.136 942 R CA 2.382 58.502 56.100 0.034 0.000 0.959 942 R CB -0.737 29.581 30.300 0.031 0.000 0.856 942 R HN 0.630 nan 8.270 nan 0.000 0.437 943 S N -0.621 115.106 115.700 0.046 0.000 2.383 943 S HA -0.136 4.334 4.470 -0.000 0.000 0.229 943 S C 1.966 176.630 174.600 0.106 0.000 1.030 943 S CA 1.496 59.735 58.200 0.065 0.000 1.002 943 S CB -0.633 62.584 63.200 0.027 0.000 0.829 943 S HN 0.157 nan 8.310 nan 0.000 0.467 944 V N 1.503 121.465 119.914 0.081 0.000 2.229 944 V HA -0.105 4.015 4.120 -0.000 0.000 0.243 944 V C 2.586 178.729 176.094 0.082 0.000 1.042 944 V CA 1.565 63.930 62.300 0.109 0.000 1.000 944 V CB -1.143 30.720 31.823 0.068 0.000 0.637 944 V HN 0.481 nan 8.190 nan 0.000 0.446 945 V N 0.009 119.928 119.914 0.008 0.000 2.370 945 V HA -0.327 3.793 4.120 -0.000 0.000 0.252 945 V C 2.507 178.555 176.094 -0.077 0.000 1.068 945 V CA 2.547 64.805 62.300 -0.070 0.000 1.061 945 V CB -0.416 31.378 31.823 -0.048 0.000 0.656 945 V HN 0.681 nan 8.190 nan 0.000 0.455 946 E N -0.919 119.309 120.200 0.047 0.000 2.106 946 E HA -0.203 4.146 4.350 -0.000 0.000 0.192 946 E C 2.001 178.636 176.600 0.057 0.000 0.984 946 E CA 1.526 58.014 56.400 0.147 0.000 0.806 946 E CB -0.265 29.660 29.700 0.376 0.000 0.750 946 E HN 0.790 nan 8.360 nan 0.000 0.458 947 F N 1.517 121.445 119.950 -0.037 0.000 2.171 947 F HA -0.148 4.379 4.527 -0.000 0.000 0.300 947 F C 1.818 177.473 175.800 -0.240 0.000 1.090 947 F CA 1.161 59.130 58.000 -0.053 0.000 1.293 947 F CB -0.177 38.826 39.000 0.004 0.000 1.013 947 F HN -0.107 nan 8.300 nan 0.000 0.486 948 L N 0.165 120.994 121.223 -0.656 0.000 2.093 948 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 948 L C 2.517 178.755 176.870 -1.052 0.000 1.085 948 L CA 1.259 55.471 54.840 -1.046 0.000 0.755 948 L CB -0.895 40.801 42.059 -0.604 0.000 0.904 948 L HN 0.174 nan 8.230 nan 0.000 0.435 949 Q N 0.250 119.637 119.800 -0.689 0.000 2.376 949 Q HA -0.138 4.202 4.340 -0.000 0.000 0.211 949 Q C 1.174 176.766 176.000 -0.680 0.000 0.986 949 Q CA 0.876 56.280 55.803 -0.665 0.000 0.886 949 Q CB -0.175 28.120 28.738 -0.738 0.000 0.927 949 Q HN 0.655 nan 8.270 nan 0.000 0.457 950 G N -0.441 107.960 108.800 -0.664 0.000 2.248 950 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.252 950 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.252 950 G C 0.020 174.813 174.900 -0.178 0.000 1.085 950 G CA 0.088 44.977 45.100 -0.352 0.000 0.845 950 G HN 0.487 nan 8.290 nan 0.000 0.494 951 Y N -0.523 119.718 120.300 -0.099 0.000 2.373 951 Y HA 0.104 4.654 4.550 -0.000 0.000 0.293 951 Y C 2.631 178.515 175.900 -0.028 0.000 1.129 951 Y CA 1.238 59.303 58.100 -0.058 0.000 1.226 951 Y CB 0.173 38.600 38.460 -0.054 0.000 1.000 951 Y HN 0.621 nan 8.280 nan 0.000 0.549 952 I N -2.582 118.094 120.570 0.176 0.000 3.914 952 I HA 0.623 4.793 4.170 -0.000 0.000 0.333 952 I C 0.668 176.816 176.117 0.051 0.000 1.449 952 I CA 0.151 61.528 61.300 0.128 0.000 1.135 952 I CB 0.138 38.241 38.000 0.172 0.000 1.073 952 I HN 0.035 nan 8.210 nan 0.000 0.401 953 G N 0.683 109.442 108.800 -0.069 0.000 2.498 953 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.651 953 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.651 953 G C -0.983 173.650 174.900 -0.445 0.000 1.284 953 G CA -0.510 44.301 45.100 -0.482 0.000 0.950 953 G HN 0.141 nan 8.290 nan 0.000 0.511 954 V N 2.251 121.595 119.914 -0.950 0.000 2.427 954 V HA 0.601 4.721 4.120 -0.000 0.000 0.286 954 V C -1.599 174.316 176.094 -0.299 0.000 1.034 954 V CA -1.004 60.966 62.300 -0.550 0.000 0.893 954 V CB 1.561 33.173 31.823 -0.351 0.000 0.982 954 V HN 0.733 nan 8.190 nan 0.000 0.452 955 P HA 0.191 nan 4.420 nan 0.000 0.276 955 P C -0.450 176.856 177.300 0.010 0.000 1.261 955 P CA -0.519 62.539 63.100 -0.070 0.000 0.800 955 P CB 0.423 32.075 31.700 -0.079 0.000 1.066 956 H N 0.498 119.593 119.070 0.042 0.000 2.848 956 H HA 0.317 4.872 4.556 -0.000 0.000 0.317 956 H C 0.700 175.975 175.328 -0.089 0.000 1.046 956 H CA 1.051 57.107 56.048 0.013 0.000 1.470 956 H CB -0.355 29.433 29.762 0.044 0.000 1.483 956 H HN 0.764 nan 8.280 nan 0.000 0.548 957 G N 2.736 111.243 108.800 -0.487 0.000 2.846 957 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.660 957 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.660 957 G C 0.368 175.113 174.900 -0.259 0.000 1.464 957 G CA -0.368 44.522 45.100 -0.350 0.000 0.891 957 G HN 0.953 nan 8.290 nan 0.000 0.552 958 G N -0.916 107.756 108.800 -0.213 0.000 2.570 958 G HA2 0.578 4.538 3.960 -0.000 0.000 0.276 958 G HA3 0.578 4.538 3.960 -0.000 0.000 0.276 958 G C 0.127 174.847 174.900 -0.300 0.000 1.346 958 G CA -0.455 44.499 45.100 -0.243 0.000 1.034 958 G HN 0.774 nan 8.290 nan 0.000 0.512 959 F N 0.949 120.854 119.950 -0.075 0.000 2.429 959 F HA 0.281 4.807 4.527 -0.000 0.000 0.348 959 F C -1.251 174.535 175.800 -0.024 0.000 1.109 959 F CA -1.623 56.336 58.000 -0.070 0.000 1.232 959 F CB 0.911 39.812 39.000 -0.165 0.000 1.157 959 F HN 0.127 nan 8.300 nan 0.000 0.564 960 P HA -0.062 nan 4.420 nan 0.000 0.257 960 P C -0.045 177.349 177.300 0.157 0.000 1.189 960 P CA 0.390 63.579 63.100 0.148 0.000 0.780 960 P CB 1.010 32.803 31.700 0.156 0.000 0.772 961 E N 5.001 125.259 120.200 0.096 0.000 2.340 961 E HA 0.031 4.381 4.350 -0.000 0.000 0.194 961 E C -0.914 175.714 176.600 0.046 0.000 0.996 961 E CA 0.494 56.931 56.400 0.063 0.000 0.869 961 E CB -1.352 28.370 29.700 0.037 0.000 0.835 961 E HN 0.345 nan 8.360 nan 0.000 0.493 962 P HA -0.054 nan 4.420 nan 0.000 0.219 962 P C 1.064 178.418 177.300 0.090 0.000 1.150 962 P CA 0.793 63.932 63.100 0.065 0.000 0.814 962 P CB -0.058 31.687 31.700 0.075 0.000 0.787 963 F N 0.254 120.181 119.950 -0.038 0.000 2.317 963 F HA 0.130 4.657 4.527 -0.000 0.000 0.293 963 F C 2.378 178.107 175.800 -0.118 0.000 1.085 963 F CA 0.551 58.512 58.000 -0.065 0.000 1.390 963 F CB -0.172 38.792 39.000 -0.061 0.000 1.077 963 F HN -0.354 nan 8.300 nan 0.000 0.517 964 R N -0.096 120.300 120.500 -0.173 0.000 2.075 964 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 964 R C 2.003 178.103 176.300 -0.333 0.000 1.126 964 R CA 1.745 57.648 56.100 -0.328 0.000 0.963 964 R CB -0.562 29.625 30.300 -0.189 0.000 0.858 964 R HN 0.250 nan 8.270 nan 0.000 0.435 965 S N 0.829 116.404 115.700 -0.209 0.000 2.453 965 S HA -0.088 4.382 4.470 -0.000 0.000 0.231 965 S C 1.499 175.993 174.600 -0.177 0.000 1.005 965 S CA 1.483 59.580 58.200 -0.171 0.000 0.949 965 S CB 0.076 63.215 63.200 -0.102 0.000 0.774 965 S HN 0.515 nan 8.310 nan 0.000 0.510 966 K N 0.312 120.587 120.400 -0.210 0.000 2.352 966 K HA 0.242 4.562 4.320 -0.000 0.000 0.194 966 K C 1.483 177.943 176.600 -0.233 0.000 1.038 966 K CA 0.331 56.514 56.287 -0.174 0.000 1.023 966 K CB -0.081 32.356 32.500 -0.104 0.000 0.840 966 K HN 0.101 nan 8.250 nan 0.000 0.519 967 V N 1.885 121.545 119.914 -0.423 0.000 2.407 967 V HA -0.115 4.005 4.120 -0.000 0.000 0.245 967 V C 2.155 178.085 176.094 -0.273 0.000 1.041 967 V CA 1.172 63.216 62.300 -0.428 0.000 1.040 967 V CB -0.309 31.022 31.823 -0.821 0.000 0.671 967 V HN 0.253 nan 8.190 nan 0.000 0.455 968 L N 0.201 121.251 121.223 -0.288 0.000 2.034 968 L HA -0.012 4.327 4.340 -0.000 0.000 0.203 968 L C 0.951 177.727 176.870 -0.157 0.000 1.074 968 L CA 0.648 55.352 54.840 -0.226 0.000 0.748 968 L CB -0.743 41.160 42.059 -0.261 0.000 0.905 968 L HN 0.417 nan 8.230 nan 0.000 0.439 969 K N 1.058 121.370 120.400 -0.146 0.000 5.163 969 K HA -0.273 4.047 4.320 -0.000 0.000 0.320 969 K C -0.246 176.304 176.600 -0.084 0.000 0.822 969 K CA 0.929 57.155 56.287 -0.101 0.000 0.981 969 K CB -1.740 30.711 32.500 -0.081 0.000 1.877 969 K HN 0.444 nan 8.250 nan 0.000 0.400 970 D N -1.565 118.784 120.400 -0.085 0.000 2.505 970 D HA -0.149 4.491 4.640 -0.000 0.000 0.175 970 D C -0.246 176.008 176.300 -0.076 0.000 0.932 970 D CA 1.421 55.379 54.000 -0.070 0.000 1.006 970 D CB -0.810 39.959 40.800 -0.052 0.000 1.060 970 D HN 0.519 nan 8.370 nan 0.000 0.471 971 L N 2.269 123.434 121.223 -0.097 0.000 2.426 971 L HA 0.327 4.667 4.340 -0.000 0.000 0.271 971 L C -1.436 175.357 176.870 -0.128 0.000 1.169 971 L CA -1.211 53.566 54.840 -0.105 0.000 0.836 971 L CB 0.216 42.202 42.059 -0.122 0.000 1.112 971 L HN -0.106 nan 8.230 nan 0.000 0.465 972 P HA 0.089 nan 4.420 nan 0.000 0.266 972 P C -1.014 176.169 177.300 -0.196 0.000 1.195 972 P CA -0.061 62.964 63.100 -0.126 0.000 0.768 972 P CB 0.605 32.250 31.700 -0.092 0.000 0.838 973 R N 0.974 121.366 120.500 -0.180 0.000 2.598 973 R HA 0.520 4.859 4.340 -0.000 0.000 0.279 973 R C -0.512 175.678 176.300 -0.182 0.000 0.984 973 R CA -1.076 54.889 56.100 -0.225 0.000 0.999 973 R CB 1.367 31.554 30.300 -0.188 0.000 1.114 973 R HN 0.223 nan 8.270 nan 0.000 0.493 974 V N 2.782 122.569 119.914 -0.213 0.000 2.406 974 V HA 0.053 4.173 4.120 -0.000 0.000 0.272 974 V C 0.868 176.923 176.094 -0.065 0.000 1.043 974 V CA 0.052 62.276 62.300 -0.127 0.000 0.915 974 V CB 1.181 32.922 31.823 -0.137 0.000 0.988 974 V HN 0.819 nan 8.190 nan 0.000 0.466 975 E N 3.251 123.435 120.200 -0.025 0.000 1.997 975 E HA 0.027 4.376 4.350 -0.000 0.000 0.196 975 E C 1.512 178.132 176.600 0.034 0.000 0.990 975 E CA 1.230 57.631 56.400 0.002 0.000 0.845 975 E CB -0.207 29.498 29.700 0.007 0.000 0.795 975 E HN 0.852 nan 8.360 nan 0.000 0.479 976 G N 0.142 108.977 108.800 0.058 0.000 2.783 976 G HA2 0.061 4.021 3.960 -0.000 0.000 0.182 976 G HA3 0.061 4.021 3.960 -0.000 0.000 0.182 976 G C -0.398 174.604 174.900 0.169 0.000 1.516 976 G CA -0.537 44.630 45.100 0.112 0.000 1.079 976 G HN 0.119 nan 8.290 nan 0.000 0.573 977 R N 1.012 121.657 120.500 0.240 0.000 2.446 977 R HA 0.076 4.415 4.340 -0.000 0.000 0.314 977 R C -1.488 174.915 176.300 0.172 0.000 1.003 977 R CA -1.000 55.284 56.100 0.307 0.000 1.018 977 R CB 0.643 31.084 30.300 0.235 0.000 0.945 977 R HN 0.068 nan 8.270 nan 0.000 0.419 978 P HA -0.147 nan 4.420 nan 0.000 0.217 978 P C 1.004 178.366 177.300 0.102 0.000 1.151 978 P CA 1.604 64.768 63.100 0.106 0.000 0.849 978 P CB 0.080 31.845 31.700 0.108 0.000 0.787 979 G N -0.014 108.853 108.800 0.111 0.000 2.450 979 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.220 979 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.220 979 G C 1.629 176.580 174.900 0.085 0.000 1.130 979 G CA 0.888 46.048 45.100 0.100 0.000 0.760 979 G HN 0.352 nan 8.290 nan 0.000 0.557 980 A N 1.018 123.888 122.820 0.084 0.000 1.933 980 A HA -0.006 4.314 4.320 -0.000 0.000 0.218 980 A C 2.688 180.302 177.584 0.051 0.000 1.175 980 A CA 2.495 54.571 52.037 0.064 0.000 0.628 980 A CB -0.426 18.613 19.000 0.066 0.000 0.814 980 A HN 0.555 nan 8.150 nan 0.000 0.444 981 S N -0.784 114.949 115.700 0.054 0.000 2.456 981 S HA 0.246 4.716 4.470 -0.000 0.000 0.224 981 S C 0.600 175.228 174.600 0.046 0.000 1.035 981 S CA -0.330 57.897 58.200 0.045 0.000 0.940 981 S CB -0.539 62.686 63.200 0.042 0.000 0.799 981 S HN 0.319 nan 8.310 nan 0.000 0.508 982 L N 4.648 125.904 121.223 0.056 0.000 2.654 982 L HA 0.165 4.505 4.340 -0.000 0.000 0.271 982 L C -2.093 174.803 176.870 0.043 0.000 1.169 982 L CA -1.254 53.616 54.840 0.050 0.000 0.947 982 L CB -0.110 41.981 42.059 0.053 0.000 1.232 982 L HN 0.151 nan 8.230 nan 0.000 0.486 983 P HA 0.161 nan 4.420 nan 0.000 0.271 983 P C -2.535 174.784 177.300 0.032 0.000 1.218 983 P CA -1.448 61.668 63.100 0.028 0.000 0.780 983 P CB -0.098 31.615 31.700 0.022 0.000 0.901 984 P HA 0.098 nan 4.420 nan 0.000 0.271 984 P C -0.233 177.085 177.300 0.030 0.000 1.220 984 P CA -0.247 62.870 63.100 0.028 0.000 0.768 984 P CB 0.393 32.099 31.700 0.010 0.000 0.848 985 L N 3.642 124.889 121.223 0.041 0.000 2.418 985 L HA 0.137 4.476 4.340 -0.000 0.000 0.274 985 L C 0.439 177.327 176.870 0.030 0.000 1.135 985 L CA 0.165 55.028 54.840 0.039 0.000 0.870 985 L CB -0.314 41.775 42.059 0.050 0.000 1.154 985 L HN 0.291 nan 8.230 nan 0.000 0.462 986 D N 4.478 124.893 120.400 0.025 0.000 2.342 986 D HA 0.013 4.653 4.640 -0.000 0.000 0.260 986 D C 0.912 177.225 176.300 0.022 0.000 1.278 986 D CA 0.078 54.090 54.000 0.020 0.000 0.910 986 D CB 0.752 41.562 40.800 0.017 0.000 1.079 986 D HN 0.571 nan 8.370 nan 0.000 0.496 987 L N 3.522 124.757 121.223 0.021 0.000 2.109 987 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 987 L C 2.539 179.419 176.870 0.016 0.000 1.086 987 L CA 1.113 55.965 54.840 0.020 0.000 0.760 987 L CB -0.399 41.672 42.059 0.019 0.000 0.910 987 L HN 0.398 nan 8.230 nan 0.000 0.437 988 Q N -0.555 119.253 119.800 0.013 0.000 2.167 988 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 988 Q C 2.417 178.427 176.000 0.015 0.000 0.970 988 Q CA 1.342 57.151 55.803 0.011 0.000 0.855 988 Q CB -0.238 28.505 28.738 0.008 0.000 0.911 988 Q HN 0.560 nan 8.270 nan 0.000 0.438 989 A N 0.512 123.342 122.820 0.017 0.000 1.902 989 A HA -0.182 4.137 4.320 -0.000 0.000 0.217 989 A C 1.964 179.564 177.584 0.026 0.000 1.181 989 A CA 1.213 53.262 52.037 0.019 0.000 0.623 989 A CB -0.588 18.423 19.000 0.018 0.000 0.818 989 A HN 0.389 nan 8.150 nan 0.000 0.443 990 L N 0.067 121.308 121.223 0.029 0.000 2.093 990 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 990 L C 2.227 179.123 176.870 0.043 0.000 1.085 990 L CA 2.595 57.459 54.840 0.040 0.000 0.755 990 L CB -0.641 41.441 42.059 0.039 0.000 0.904 990 L HN 0.611 nan 8.230 nan 0.000 0.435 991 E N -0.485 119.733 120.200 0.030 0.000 2.051 991 E HA -0.268 4.082 4.350 -0.000 0.000 0.192 991 E C 2.163 178.787 176.600 0.040 0.000 0.991 991 E CA 1.320 57.739 56.400 0.031 0.000 0.799 991 E CB -0.067 29.642 29.700 0.015 0.000 0.748 991 E HN 0.466 nan 8.360 nan 0.000 0.449 992 K N 0.244 120.662 120.400 0.029 0.000 2.103 992 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 992 K C 2.109 178.726 176.600 0.028 0.000 1.048 992 K CA 1.714 58.016 56.287 0.025 0.000 0.930 992 K CB -0.076 32.434 32.500 0.017 0.000 0.716 992 K HN 0.257 nan 8.250 nan 0.000 0.444 993 E N 0.529 120.750 120.200 0.034 0.000 2.110 993 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 993 E C 1.933 178.560 176.600 0.045 0.000 0.988 993 E CA 0.965 57.384 56.400 0.032 0.000 0.804 993 E CB -0.043 29.683 29.700 0.043 0.000 0.745 993 E HN 0.237 nan 8.360 nan 0.000 0.458 994 L N 0.325 121.610 121.223 0.104 0.000 2.313 994 L HA -0.088 4.252 4.340 -0.000 0.000 0.214 994 L C 2.176 179.146 176.870 0.167 0.000 1.119 994 L CA 0.209 55.180 54.840 0.217 0.000 0.809 994 L CB 0.037 42.246 42.059 0.250 0.000 0.933 994 L HN 0.015 nan 8.230 nan 0.000 0.449 995 V N -0.780 119.186 119.914 0.086 0.000 2.667 995 V HA -0.217 3.902 4.120 -0.000 0.000 0.252 995 V C 1.981 178.089 176.094 0.023 0.000 1.065 995 V CA 1.628 63.962 62.300 0.056 0.000 1.083 995 V CB -0.315 31.529 31.823 0.035 0.000 0.692 995 V HN 0.380 nan 8.190 nan 0.000 0.468 996 D N -0.422 119.978 120.400 -0.000 0.000 2.183 996 D HA -0.044 4.596 4.640 -0.000 0.000 0.205 996 D C 2.371 178.615 176.300 -0.092 0.000 0.962 996 D CA 0.833 54.813 54.000 -0.034 0.000 0.849 996 D CB 0.220 41.003 40.800 -0.028 0.000 0.978 996 D HN 0.234 nan 8.370 nan 0.000 0.488 997 R N -1.013 119.376 120.500 -0.185 0.000 2.105 997 R HA 0.111 4.451 4.340 -0.000 0.000 0.214 997 R C 1.007 177.020 176.300 -0.478 0.000 1.091 997 R CA 0.714 56.561 56.100 -0.422 0.000 1.007 997 R CB 0.291 30.163 30.300 -0.713 0.000 0.912 997 R HN 0.204 nan 8.270 nan 0.000 0.450 998 H N -0.970 118.117 119.070 0.028 0.000 2.512 998 H HA 0.369 4.925 4.556 -0.000 0.000 0.276 998 H C 0.273 175.594 175.328 -0.010 0.000 1.126 998 H CA 0.437 56.482 56.048 -0.006 0.000 1.060 998 H CB 0.818 30.580 29.762 0.000 0.000 1.646 998 H HN 0.405 nan 8.280 nan 0.000 0.571 999 G N 2.069 110.899 108.800 0.051 0.000 2.663 999 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.686 999 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.686 999 G C 0.589 175.522 174.900 0.054 0.000 1.288 999 G CA -0.119 45.003 45.100 0.037 0.000 0.836 999 G HN 0.407 nan 8.290 nan 0.000 0.584 1000 E N -0.873 119.348 120.200 0.036 0.000 2.415 1000 E HA 0.159 4.509 4.350 -0.000 0.000 0.197 1000 E C 0.716 177.341 176.600 0.042 0.000 1.007 1000 E CA 0.393 56.815 56.400 0.036 0.000 0.890 1000 E CB 0.457 30.169 29.700 0.020 0.000 0.891 1000 E HN 0.537 nan 8.360 nan 0.000 0.496 1001 E N 1.994 122.220 120.200 0.042 0.000 1.814 1001 E HA 0.141 4.491 4.350 -0.000 0.000 0.264 1001 E C -0.964 175.676 176.600 0.067 0.000 1.179 1001 E CA -0.285 56.141 56.400 0.043 0.000 0.972 1001 E CB 1.141 30.860 29.700 0.032 0.000 1.077 1001 E HN 0.163 nan 8.360 nan 0.000 0.417 1002 V N 0.711 120.667 119.914 0.070 0.000 2.462 1002 V HA 0.288 4.408 4.120 -0.000 0.000 0.288 1002 V C 0.212 176.330 176.094 0.041 0.000 1.020 1002 V CA -1.103 61.253 62.300 0.093 0.000 0.857 1002 V CB 1.179 33.090 31.823 0.146 0.000 1.013 1002 V HN 0.409 nan 8.190 nan 0.000 0.431 1003 T N 5.105 119.672 114.554 0.021 0.000 2.855 1003 T HA 0.236 4.586 4.350 -0.000 0.000 0.322 1003 T C -0.613 174.032 174.700 -0.091 0.000 1.088 1003 T CA -0.028 62.047 62.100 -0.042 0.000 1.104 1003 T CB 1.068 69.897 68.868 -0.065 0.000 0.996 1003 T HN 0.687 nan 8.240 nan 0.000 0.549 1004 P HA -0.057 nan 4.420 nan 0.000 0.221 1004 P C 0.993 178.133 177.300 -0.267 0.000 1.145 1004 P CA 1.076 64.087 63.100 -0.148 0.000 0.795 1004 P CB 0.139 31.761 31.700 -0.131 0.000 0.775 1005 E N 0.156 120.091 120.200 -0.441 0.000 2.085 1005 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 1005 E C 1.775 178.099 176.600 -0.459 0.000 0.994 1005 E CA 1.462 57.326 56.400 -0.894 0.000 0.801 1005 E CB -0.603 28.442 29.700 -1.091 0.000 0.743 1005 E HN 0.261 nan 8.360 nan 0.000 0.453 1006 D N -0.373 119.894 120.400 -0.222 0.000 2.084 1006 D HA -0.126 4.514 4.640 -0.000 0.000 0.194 1006 D C 2.038 178.104 176.300 -0.391 0.000 0.990 1006 D CA 0.968 54.837 54.000 -0.218 0.000 0.826 1006 D CB -0.478 40.324 40.800 0.003 0.000 0.971 1006 D HN 0.029 nan 8.370 nan 0.000 0.453 1007 V N 1.242 121.031 119.914 -0.208 0.000 2.317 1007 V HA -0.255 3.865 4.120 -0.000 0.000 0.251 1007 V C 2.621 178.669 176.094 -0.076 0.000 1.065 1007 V CA 1.353 63.572 62.300 -0.135 0.000 1.049 1007 V CB -0.571 31.215 31.823 -0.062 0.000 0.651 1007 V HN 0.226 nan 8.190 nan 0.000 0.450 1008 L N -0.391 120.834 121.223 0.003 0.000 2.141 1008 L HA -0.105 4.234 4.340 -0.000 0.000 0.209 1008 L C 2.571 179.632 176.870 0.319 0.000 1.094 1008 L CA 1.360 56.317 54.840 0.196 0.000 0.763 1008 L CB -0.525 41.745 42.059 0.352 0.000 0.908 1008 L HN 0.321 nan 8.230 nan 0.000 0.437 1009 S N 0.139 116.044 115.700 0.342 0.000 2.368 1009 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 1009 S C 2.238 176.934 174.600 0.161 0.000 1.029 1009 S CA 1.108 59.582 58.200 0.456 0.000 0.988 1009 S CB -0.227 63.238 63.200 0.442 0.000 0.838 1009 S HN 0.483 nan 8.310 nan 0.000 0.462 1010 A N 1.818 124.498 122.820 -0.233 0.000 1.877 1010 A HA 0.082 4.401 4.320 -0.000 0.000 0.216 1010 A C 2.373 179.987 177.584 0.050 0.000 1.186 1010 A CA 1.743 53.722 52.037 -0.096 0.000 0.620 1010 A CB -1.170 17.716 19.000 -0.191 0.000 0.822 1010 A HN 0.519 nan 8.150 nan 0.000 0.443 1011 A N -1.198 121.628 122.820 0.011 0.000 1.972 1011 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 1011 A C 2.190 179.717 177.584 -0.095 0.000 1.169 1011 A CA 1.913 53.943 52.037 -0.011 0.000 0.635 1011 A CB -0.416 18.569 19.000 -0.024 0.000 0.810 1011 A HN 0.462 nan 8.150 nan 0.000 0.446 1012 M N -2.282 117.254 119.600 -0.107 0.000 2.191 1012 M HA 0.079 4.559 4.480 -0.000 0.000 0.262 1012 M C -0.101 176.073 176.300 -0.209 0.000 1.083 1012 M CA 1.282 56.400 55.300 -0.303 0.000 1.154 1012 M CB -0.698 31.780 32.600 -0.203 0.000 1.344 1012 M HN 0.403 nan 8.290 nan 0.000 0.431 1013 Y N -0.186 120.203 120.300 0.148 0.000 2.662 1013 Y HA 0.262 4.812 4.550 -0.000 0.000 0.358 1013 Y C -1.705 174.337 175.900 0.237 0.000 1.041 1013 Y CA -2.069 56.156 58.100 0.209 0.000 1.184 1013 Y CB 0.100 38.703 38.460 0.238 0.000 1.114 1013 Y HN 0.099 nan 8.280 nan 0.000 0.650 1014 P HA -0.207 nan 4.420 nan 0.000 0.213 1014 P C 0.772 178.237 177.300 0.275 0.000 1.170 1014 P CA 1.858 65.111 63.100 0.256 0.000 0.902 1014 P CB 0.622 32.426 31.700 0.174 0.000 0.789 1015 D N -0.438 120.106 120.400 0.240 0.000 2.097 1015 D HA -0.089 4.551 4.640 -0.000 0.000 0.195 1015 D C 2.186 178.628 176.300 0.236 0.000 0.989 1015 D CA 0.956 55.066 54.000 0.184 0.000 0.827 1015 D CB -0.795 40.156 40.800 0.250 0.000 0.966 1015 D HN -0.010 nan 8.370 nan 0.000 0.456 1016 V N 1.041 121.168 119.914 0.355 0.000 2.343 1016 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 1016 V C 2.190 178.489 176.094 0.343 0.000 1.051 1016 V CA 1.231 63.732 62.300 0.335 0.000 1.036 1016 V CB -0.565 31.397 31.823 0.232 0.000 0.654 1016 V HN 0.078 nan 8.190 nan 0.000 0.451 1017 F N 0.999 121.096 119.950 0.245 0.000 2.293 1017 F HA -0.004 4.523 4.527 -0.000 0.000 0.300 1017 F C 2.146 177.988 175.800 0.071 0.000 1.086 1017 F CA 0.917 59.062 58.000 0.242 0.000 1.375 1017 F CB -0.289 38.844 39.000 0.222 0.000 1.045 1017 F HN 0.074 nan 8.300 nan 0.000 0.516 1018 A N -0.113 122.744 122.820 0.062 0.000 1.855 1018 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 1018 A C 2.125 179.642 177.584 -0.112 0.000 1.191 1018 A CA 1.730 53.729 52.037 -0.063 0.000 0.613 1018 A CB -1.184 17.797 19.000 -0.032 0.000 0.829 1018 A HN 0.519 nan 8.150 nan 0.000 0.442 1019 H N -1.769 117.376 119.070 0.125 0.000 2.387 1019 H HA -0.116 4.440 4.556 -0.000 0.000 0.299 1019 H C 1.977 177.430 175.328 0.208 0.000 1.090 1019 H CA 1.693 57.834 56.048 0.155 0.000 1.332 1019 H CB -0.624 29.237 29.762 0.165 0.000 1.386 1019 H HN 0.590 nan 8.280 nan 0.000 0.516 1020 F N 2.649 122.680 119.950 0.136 0.000 2.075 1020 F HA -0.162 4.364 4.527 -0.000 0.000 0.297 1020 F C 2.122 177.916 175.800 -0.010 0.000 1.113 1020 F CA 1.340 59.413 58.000 0.120 0.000 1.218 1020 F CB -0.167 38.839 39.000 0.011 0.000 0.984 1020 F HN -0.172 nan 8.300 nan 0.000 0.472 1021 K N 0.427 120.453 120.400 -0.622 0.000 2.097 1021 K HA -0.183 4.136 4.320 -0.000 0.000 0.206 1021 K C 1.798 178.224 176.600 -0.290 0.000 1.049 1021 K CA 1.690 57.550 56.287 -0.711 0.000 0.933 1021 K CB -0.839 31.121 32.500 -0.900 0.000 0.717 1021 K HN 0.331 nan 8.250 nan 0.000 0.442 1022 D N -0.330 120.003 120.400 -0.110 0.000 2.218 1022 D HA -0.130 4.510 4.640 -0.000 0.000 0.204 1022 D C 1.469 177.747 176.300 -0.037 0.000 0.976 1022 D CA 0.727 54.712 54.000 -0.025 0.000 0.853 1022 D CB -0.019 40.821 40.800 0.067 0.000 0.939 1022 D HN 0.109 nan 8.370 nan 0.000 0.481 1023 F N -0.357 119.501 119.950 -0.154 0.000 2.374 1023 F HA 0.033 4.559 4.527 -0.000 0.000 0.291 1023 F C 2.320 178.020 175.800 -0.168 0.000 1.084 1023 F CA 0.761 58.658 58.000 -0.171 0.000 1.413 1023 F CB -0.118 38.745 39.000 -0.228 0.000 1.099 1023 F HN -0.197 nan 8.300 nan 0.000 0.534 1024 T N 0.154 114.685 114.554 -0.038 0.000 2.737 1024 T HA -0.123 4.227 4.350 -0.000 0.000 0.265 1024 T C 2.133 176.727 174.700 -0.176 0.000 1.038 1024 T CA 1.340 63.373 62.100 -0.111 0.000 1.144 1024 T CB -0.570 68.110 68.868 -0.312 0.000 0.866 1024 T HN 0.294 nan 8.240 nan 0.000 0.434 1025 A N 0.096 122.789 122.820 -0.212 0.000 2.070 1025 A HA -0.063 4.257 4.320 -0.000 0.000 0.220 1025 A C 2.357 179.780 177.584 -0.269 0.000 1.159 1025 A CA 2.075 53.993 52.037 -0.198 0.000 0.656 1025 A CB -0.635 18.267 19.000 -0.164 0.000 0.800 1025 A HN 0.494 nan 8.150 nan 0.000 0.453 1026 T N -3.502 110.803 114.554 -0.416 0.000 2.990 1026 T HA 0.280 4.630 4.350 -0.000 0.000 0.249 1026 T C 1.045 175.277 174.700 -0.780 0.000 1.039 1026 T CA 0.485 62.190 62.100 -0.658 0.000 1.036 1026 T CB -0.142 68.204 68.868 -0.869 0.000 0.994 1026 T HN 0.392 nan 8.240 nan 0.000 0.489 1027 F N 0.630 120.338 119.950 -0.404 0.000 2.711 1027 F HA 0.509 5.036 4.527 -0.000 0.000 0.296 1027 F C 1.494 177.173 175.800 -0.201 0.000 1.096 1027 F CA 0.155 57.944 58.000 -0.351 0.000 1.280 1027 F CB 1.153 39.793 39.000 -0.600 0.000 1.060 1027 F HN 0.407 nan 8.300 nan 0.000 0.608 1028 G N 0.608 109.407 108.800 -0.000 0.000 2.434 1028 G HA2 -0.056 3.903 3.960 -0.000 0.000 0.671 1028 G HA3 -0.056 3.903 3.960 -0.000 0.000 0.671 1028 G C -3.103 171.831 174.900 0.056 0.000 1.280 1028 G CA -1.310 43.799 45.100 0.015 0.000 0.975 1028 G HN -0.193 nan 8.290 nan 0.000 0.510 1029 P HA 0.437 nan 4.420 nan 0.000 0.266 1029 P C 1.030 178.397 177.300 0.112 0.000 1.586 1029 P CA -0.354 62.809 63.100 0.105 0.000 1.088 1029 P CB 0.133 31.885 31.700 0.087 0.000 1.584 1030 L N 1.806 123.119 121.223 0.149 0.000 2.313 1030 L HA -0.073 4.266 4.340 -0.000 0.000 0.214 1030 L C 2.097 179.046 176.870 0.131 0.000 1.119 1030 L CA 0.948 55.873 54.840 0.141 0.000 0.809 1030 L CB -0.655 41.542 42.059 0.230 0.000 0.933 1030 L HN 0.298 nan 8.230 nan 0.000 0.449 1031 D N -0.592 119.879 120.400 0.119 0.000 2.354 1031 D HA -0.164 4.476 4.640 -0.000 0.000 0.216 1031 D C 1.705 178.077 176.300 0.119 0.000 0.970 1031 D CA 1.134 55.180 54.000 0.077 0.000 0.905 1031 D CB -0.023 40.832 40.800 0.092 0.000 0.903 1031 D HN 0.246 nan 8.370 nan 0.000 0.508 1032 S N 0.125 115.903 115.700 0.130 0.000 2.383 1032 S HA 0.013 4.483 4.470 -0.000 0.000 0.227 1032 S C 1.231 175.942 174.600 0.186 0.000 1.026 1032 S CA -0.011 58.285 58.200 0.161 0.000 0.981 1032 S CB -0.090 63.183 63.200 0.122 0.000 0.818 1032 S HN 0.260 nan 8.310 nan 0.000 0.472 1033 L N 2.282 123.567 121.223 0.104 0.000 2.482 1033 L HA 0.090 4.430 4.340 -0.000 0.000 0.273 1033 L C 0.738 177.459 176.870 -0.250 0.000 1.228 1033 L CA -0.511 54.349 54.840 0.033 0.000 0.827 1033 L CB 0.075 42.205 42.059 0.117 0.000 1.099 1033 L HN 0.114 nan 8.230 nan 0.000 0.494 1034 N N 0.311 118.838 118.700 -0.289 0.000 2.273 1034 N HA -0.057 4.683 4.740 -0.000 0.000 0.227 1034 N C 0.975 176.318 175.510 -0.278 0.000 1.292 1034 N CA 0.301 53.085 53.050 -0.444 0.000 0.875 1034 N CB 0.585 38.957 38.487 -0.191 0.000 1.105 1034 N HN 0.576 nan 8.380 nan 0.000 0.434 1035 T N 0.797 115.191 114.554 -0.267 0.000 2.770 1035 T HA -0.101 4.248 4.350 -0.000 0.000 0.263 1035 T C 1.858 176.518 174.700 -0.067 0.000 1.039 1035 T CA 0.995 63.002 62.100 -0.156 0.000 1.142 1035 T CB -0.073 68.629 68.868 -0.277 0.000 0.868 1035 T HN 0.487 nan 8.240 nan 0.000 0.435 1036 R N 0.718 121.152 120.500 -0.110 0.000 2.083 1036 R HA -0.040 4.299 4.340 -0.000 0.000 0.237 1036 R C 2.360 178.624 176.300 -0.061 0.000 1.137 1036 R CA 1.310 57.357 56.100 -0.089 0.000 0.951 1036 R CB -0.510 29.729 30.300 -0.101 0.000 0.851 1036 R HN 0.341 nan 8.270 nan 0.000 0.434 1037 L N -0.201 120.976 121.223 -0.077 0.000 2.017 1037 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 1037 L C 2.430 179.351 176.870 0.084 0.000 1.073 1037 L CA 1.523 56.320 54.840 -0.072 0.000 0.745 1037 L CB -0.608 41.379 42.059 -0.120 0.000 0.894 1037 L HN 0.247 nan 8.230 nan 0.000 0.432 1038 F N 0.750 120.713 119.950 0.021 0.000 2.069 1038 F HA -0.264 4.262 4.527 -0.000 0.000 0.298 1038 F C 2.181 178.102 175.800 0.202 0.000 1.113 1038 F CA 1.766 59.862 58.000 0.161 0.000 1.214 1038 F CB -0.101 38.944 39.000 0.075 0.000 0.978 1038 F HN -0.118 nan 8.300 nan 0.000 0.474 1039 L N -0.434 120.910 121.223 0.203 0.000 2.209 1039 L HA -0.080 4.259 4.340 -0.000 0.000 0.207 1039 L C 2.077 178.933 176.870 -0.025 0.000 1.094 1039 L CA 1.382 56.283 54.840 0.103 0.000 0.790 1039 L CB -0.504 41.666 42.059 0.185 0.000 0.932 1039 L HN 0.372 nan 8.230 nan 0.000 0.447 1040 Q N -0.798 118.974 119.800 -0.046 0.000 2.179 1040 Q HA 0.369 4.709 4.340 -0.000 0.000 0.244 1040 Q C 0.699 176.636 176.000 -0.105 0.000 0.808 1040 Q CA 0.354 56.108 55.803 -0.081 0.000 0.955 1040 Q CB 1.195 29.891 28.738 -0.071 0.000 1.141 1040 Q HN 0.141 nan 8.270 nan 0.000 0.485 1041 G N 1.701 110.438 108.800 -0.106 0.000 2.760 1041 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.246 1041 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.246 1041 G C -2.963 171.858 174.900 -0.132 0.000 1.359 1041 G CA -0.430 44.605 45.100 -0.109 0.000 0.861 1041 G HN 0.265 nan 8.290 nan 0.000 0.541 1042 P HA 0.637 nan 4.420 nan 0.000 0.285 1042 P C -0.822 176.453 177.300 -0.041 0.000 1.280 1042 P CA -0.770 62.238 63.100 -0.153 0.000 0.862 1042 P CB 1.108 32.702 31.700 -0.177 0.000 1.153 1043 K N 0.779 121.166 120.400 -0.021 0.000 2.205 1043 K HA 0.378 4.697 4.320 -0.000 0.000 0.279 1043 K C -0.012 176.613 176.600 0.042 0.000 1.027 1043 K CA -0.576 55.713 56.287 0.003 0.000 0.932 1043 K CB -0.470 32.030 32.500 0.001 0.000 1.032 1043 K HN 0.326 nan 8.250 nan 0.000 0.466 1044 I N 2.767 123.350 120.570 0.021 0.000 2.989 1044 I HA -0.228 3.942 4.170 -0.000 0.000 0.311 1044 I C 1.110 177.253 176.117 0.043 0.000 1.221 1044 I CA 1.525 62.839 61.300 0.025 0.000 1.449 1044 I CB 0.077 38.075 38.000 -0.004 0.000 1.325 1044 I HN 0.865 nan 8.210 nan 0.000 0.557 1045 A N 3.777 126.634 122.820 0.062 0.000 3.661 1045 A HA -0.256 4.063 4.320 -0.000 0.000 0.269 1045 A C 0.705 178.341 177.584 0.088 0.000 1.056 1045 A CA 1.117 53.191 52.037 0.062 0.000 1.159 1045 A CB -2.392 16.627 19.000 0.032 0.000 1.105 1045 A HN 0.862 nan 8.150 nan 0.000 0.907 1046 E N 1.159 121.431 120.200 0.120 0.000 2.166 1046 E HA 0.458 4.808 4.350 -0.000 0.000 0.279 1046 E C 0.107 176.858 176.600 0.251 0.000 1.095 1046 E CA -0.423 56.069 56.400 0.152 0.000 0.888 1046 E CB 0.660 30.437 29.700 0.129 0.000 1.041 1046 E HN 0.364 nan 8.360 nan 0.000 0.414 1047 E N 3.866 124.174 120.200 0.179 0.000 2.414 1047 E HA 0.104 4.454 4.350 -0.000 0.000 0.263 1047 E C -0.802 175.960 176.600 0.270 0.000 1.000 1047 E CA 0.125 56.620 56.400 0.159 0.000 0.914 1047 E CB 0.325 30.070 29.700 0.075 0.000 0.948 1047 E HN 0.564 nan 8.360 nan 0.000 0.444 1048 F N 0.741 120.751 119.950 0.099 0.000 2.869 1048 F HA 0.630 5.157 4.527 -0.000 0.000 0.325 1048 F C -1.005 174.870 175.800 0.125 0.000 1.184 1048 F CA -1.075 56.984 58.000 0.098 0.000 0.951 1048 F CB 1.227 40.275 39.000 0.080 0.000 1.421 1048 F HN 0.204 nan 8.300 nan 0.000 0.501 1049 E N 0.730 121.103 120.200 0.288 0.000 2.292 1049 E HA 0.598 4.948 4.350 -0.000 0.000 0.272 1049 E C -1.807 174.925 176.600 0.221 0.000 0.881 1049 E CA -1.094 55.383 56.400 0.128 0.000 0.754 1049 E CB 3.021 32.813 29.700 0.153 0.000 1.201 1049 E HN 0.528 nan 8.360 nan 0.000 0.425 1050 V N 2.669 122.640 119.914 0.095 0.000 2.370 1050 V HA 0.182 4.302 4.120 -0.000 0.000 0.283 1050 V C -0.150 175.984 176.094 0.066 0.000 1.023 1050 V CA -0.659 61.722 62.300 0.135 0.000 0.857 1050 V CB 1.434 33.340 31.823 0.138 0.000 0.985 1050 V HN 0.629 nan 8.190 nan 0.000 0.443 1051 E N 4.143 124.403 120.200 0.101 0.000 1.979 1051 E HA 0.258 4.607 4.350 -0.000 0.000 0.285 1051 E C -0.525 176.121 176.600 0.076 0.000 1.188 1051 E CA -0.261 56.187 56.400 0.079 0.000 1.214 1051 E CB -0.060 29.702 29.700 0.102 0.000 1.210 1051 E HN 0.510 nan 8.360 nan 0.000 0.477 1052 L N 2.383 123.635 121.223 0.048 0.000 2.426 1052 L HA 0.139 4.479 4.340 -0.000 0.000 0.271 1052 L C 0.581 177.474 176.870 0.037 0.000 1.169 1052 L CA 0.369 55.235 54.840 0.044 0.000 0.836 1052 L CB 0.663 42.736 42.059 0.023 0.000 1.112 1052 L HN 0.423 nan 8.230 nan 0.000 0.465 1053 E N 4.346 124.573 120.200 0.044 0.000 2.408 1053 E HA 0.149 4.499 4.350 -0.000 0.000 0.259 1053 E C 0.258 176.874 176.600 0.027 0.000 1.110 1053 E CA -0.293 56.131 56.400 0.040 0.000 0.929 1053 E CB 0.411 30.140 29.700 0.047 0.000 0.971 1053 E HN 0.381 nan 8.360 nan 0.000 0.438 1054 R N -0.424 120.090 120.500 0.025 0.000 3.906 1054 R HA -0.187 4.152 4.340 -0.000 0.000 0.449 1054 R C 0.653 176.960 176.300 0.011 0.000 0.241 1054 R CA 1.127 57.237 56.100 0.018 0.000 1.420 1054 R CB -1.343 28.967 30.300 0.017 0.000 1.053 1054 R HN 0.900 nan 8.270 nan 0.000 0.539 1055 G N 1.704 110.509 108.800 0.008 0.000 3.266 1055 G HA2 0.166 4.126 3.960 -0.000 0.000 0.238 1055 G HA3 0.166 4.126 3.960 -0.000 0.000 0.238 1055 G C 0.000 174.897 174.900 -0.005 0.000 1.076 1055 G CA 0.554 45.656 45.100 0.004 0.000 1.804 1055 G HN 0.267 nan 8.290 nan 0.000 0.600 1056 K N 0.838 121.232 120.400 -0.010 0.000 2.695 1056 K HA 0.335 4.655 4.320 -0.000 0.000 0.255 1056 K C -0.309 176.264 176.600 -0.044 0.000 1.016 1056 K CA -0.498 55.773 56.287 -0.028 0.000 0.928 1056 K CB 0.846 33.332 32.500 -0.023 0.000 1.235 1056 K HN 0.086 nan 8.250 nan 0.000 0.467 1057 T N 1.503 116.008 114.554 -0.082 0.000 2.859 1057 T HA 0.690 5.039 4.350 -0.000 0.000 0.281 1057 T C -0.144 174.391 174.700 -0.275 0.000 1.005 1057 T CA -0.897 61.120 62.100 -0.138 0.000 1.025 1057 T CB 0.828 69.621 68.868 -0.126 0.000 0.977 1057 T HN 0.304 nan 8.240 nan 0.000 0.458 1058 L N 3.475 124.529 121.223 -0.282 0.000 2.325 1058 L HA 0.418 4.757 4.340 -0.000 0.000 0.281 1058 L C -0.079 176.547 176.870 -0.406 0.000 1.004 1058 L CA -1.143 53.506 54.840 -0.318 0.000 0.823 1058 L CB 1.243 43.197 42.059 -0.175 0.000 1.236 1058 L HN 0.683 nan 8.230 nan 0.000 0.415 1059 H N 5.082 124.077 119.070 -0.124 0.000 2.761 1059 H HA 0.457 5.013 4.556 -0.000 0.000 0.284 1059 H C -0.325 174.847 175.328 -0.261 0.000 1.105 1059 H CA -0.206 55.734 56.048 -0.181 0.000 1.352 1059 H CB 1.012 30.715 29.762 -0.098 0.000 1.423 1059 H HN 0.433 nan 8.280 nan 0.000 0.464 1060 I N 2.392 122.694 120.570 -0.446 0.000 2.648 1060 I HA 0.322 4.491 4.170 -0.000 0.000 0.304 1060 I C 0.123 175.998 176.117 -0.403 0.000 1.009 1060 I CA -0.716 60.287 61.300 -0.495 0.000 1.114 1060 I CB 1.845 39.398 38.000 -0.745 0.000 1.293 1060 I HN 0.261 nan 8.210 nan 0.000 0.449 1061 K N 3.732 124.141 120.400 0.015 0.000 2.615 1061 K HA 0.643 4.962 4.320 -0.000 0.000 0.249 1061 K C -1.148 175.652 176.600 0.333 0.000 0.977 1061 K CA -0.449 55.946 56.287 0.180 0.000 0.833 1061 K CB 1.680 34.243 32.500 0.105 0.000 1.208 1061 K HN 0.705 nan 8.250 nan 0.000 0.443 1062 A N 5.109 128.160 122.820 0.384 0.000 2.454 1062 A HA 0.295 4.615 4.320 -0.000 0.000 0.260 1062 A C 0.387 177.996 177.584 0.041 0.000 1.106 1062 A CA -0.158 51.982 52.037 0.171 0.000 0.780 1062 A CB -0.012 19.099 19.000 0.186 0.000 1.044 1062 A HN 0.883 nan 8.150 nan 0.000 0.498 1063 L N 1.561 122.749 121.223 -0.057 0.000 2.435 1063 L HA 0.516 4.855 4.340 -0.000 0.000 0.195 1063 L C 0.963 177.810 176.870 -0.039 0.000 1.072 1063 L CA 0.888 55.717 54.840 -0.020 0.000 0.833 1063 L CB -0.136 41.924 42.059 0.002 0.000 1.081 1063 L HN 0.781 nan 8.230 nan 0.000 0.485 1064 A N -0.373 122.430 122.820 -0.027 0.000 2.594 1064 A HA 0.617 4.936 4.320 -0.000 0.000 0.296 1064 A C -1.474 176.168 177.584 0.097 0.000 1.056 1064 A CA -0.415 51.627 52.037 0.010 0.000 0.693 1064 A CB 1.325 20.294 19.000 -0.051 0.000 1.278 1064 A HN -0.181 nan 8.150 nan 0.000 0.408 1065 V N 2.125 122.064 119.914 0.043 0.000 2.435 1065 V HA 0.641 4.761 4.120 -0.000 0.000 0.290 1065 V C 1.039 177.181 176.094 0.080 0.000 1.030 1065 V CA 0.174 62.496 62.300 0.036 0.000 0.881 1065 V CB 1.236 33.038 31.823 -0.035 0.000 0.983 1065 V HN 1.325 nan 8.190 nan 0.000 0.445 1066 S N 3.220 118.992 115.700 0.121 0.000 2.393 1066 S HA 0.362 4.832 4.470 -0.000 0.000 0.255 1066 S C -0.321 174.306 174.600 0.045 0.000 1.210 1066 S CA -0.450 57.828 58.200 0.130 0.000 1.013 1066 S CB 0.507 63.833 63.200 0.210 0.000 1.055 1066 S HN 0.662 nan 8.310 nan 0.000 0.483 1067 D N 0.433 120.856 120.400 0.039 0.000 2.248 1067 D HA 0.420 5.060 4.640 -0.000 0.000 0.246 1067 D C -0.629 175.674 176.300 0.005 0.000 1.027 1067 D CA -0.474 53.534 54.000 0.013 0.000 0.853 1067 D CB 1.146 41.953 40.800 0.011 0.000 1.243 1067 D HN 0.484 nan 8.370 nan 0.000 0.462 1068 L N 3.523 124.743 121.223 -0.006 0.000 2.737 1068 L HA -0.118 4.221 4.340 -0.000 0.000 0.275 1068 L C 1.419 178.286 176.870 -0.005 0.000 1.179 1068 L CA -0.130 54.704 54.840 -0.010 0.000 0.970 1068 L CB -0.451 41.600 42.059 -0.014 0.000 1.268 1068 L HN 0.412 nan 8.230 nan 0.000 0.485 1069 N N 4.866 123.563 118.700 -0.004 0.000 2.292 1069 N HA -0.015 4.725 4.740 -0.000 0.000 0.278 1069 N C 0.122 175.630 175.510 -0.003 0.000 1.289 1069 N CA -0.047 53.004 53.050 0.000 0.000 0.934 1069 N CB 0.262 38.750 38.487 0.002 0.000 1.069 1069 N HN 0.363 nan 8.380 nan 0.000 0.513 1070 R N -0.815 119.684 120.500 -0.002 0.000 4.518 1070 R HA 0.469 4.808 4.340 -0.000 0.000 0.243 1070 R C -0.243 176.053 176.300 -0.008 0.000 1.720 1070 R CA 0.150 56.246 56.100 -0.005 0.000 1.526 1070 R CB -0.190 30.108 30.300 -0.003 0.000 1.425 1070 R HN 0.681 nan 8.270 nan 0.000 0.787 1071 A N -0.617 122.198 122.820 -0.010 0.000 2.604 1071 A HA 0.313 4.633 4.320 -0.000 0.000 0.157 1071 A C 0.884 178.461 177.584 -0.011 0.000 1.680 1071 A CA 0.217 52.248 52.037 -0.011 0.000 1.227 1071 A CB 0.454 19.451 19.000 -0.005 0.000 1.493 1071 A HN 0.402 nan 8.150 nan 0.000 0.453 1072 G N 0.569 109.363 108.800 -0.011 0.000 2.356 1072 G HA2 0.154 4.114 3.960 -0.000 0.000 0.233 1072 G HA3 0.154 4.114 3.960 -0.000 0.000 0.233 1072 G C -0.471 174.424 174.900 -0.008 0.000 1.105 1072 G CA 0.459 45.552 45.100 -0.010 0.000 0.861 1072 G HN 1.613 nan 8.290 nan 0.000 0.493 1073 Q N -1.673 118.120 119.800 -0.012 0.000 2.527 1073 Q HA 0.727 5.067 4.340 -0.000 0.000 0.280 1073 Q C -0.625 175.359 176.000 -0.027 0.000 0.977 1073 Q CA -1.389 54.403 55.803 -0.018 0.000 0.837 1073 Q CB 1.182 29.915 28.738 -0.008 0.000 1.454 1073 Q HN 0.622 nan 8.270 nan 0.000 0.387 1074 R N 0.637 121.110 120.500 -0.045 0.000 2.502 1074 R HA 0.399 4.739 4.340 -0.000 0.000 0.300 1074 R C -0.912 175.332 176.300 -0.093 0.000 0.984 1074 R CA -0.871 55.200 56.100 -0.049 0.000 0.882 1074 R CB 1.752 32.029 30.300 -0.039 0.000 1.180 1074 R HN 0.536 nan 8.270 nan 0.000 0.444 1075 Q N 2.058 121.790 119.800 -0.113 0.000 2.274 1075 Q HA 0.119 4.459 4.340 -0.000 0.000 0.280 1075 Q C -0.347 175.411 176.000 -0.403 0.000 1.047 1075 Q CA 0.041 55.664 55.803 -0.301 0.000 0.907 1075 Q CB 1.306 29.809 28.738 -0.391 0.000 1.171 1075 Q HN 0.396 nan 8.270 nan 0.000 0.381 1076 V N 4.248 123.878 119.914 -0.474 0.000 2.398 1076 V HA 0.402 4.521 4.120 -0.000 0.000 0.286 1076 V C -0.522 175.172 176.094 -0.667 0.000 1.026 1076 V CA -0.625 61.411 62.300 -0.440 0.000 0.868 1076 V CB 0.580 32.229 31.823 -0.289 0.000 0.982 1076 V HN 0.515 nan 8.190 nan 0.000 0.443 1077 F N 4.349 124.040 119.950 -0.432 0.000 2.436 1077 F HA 0.740 5.267 4.527 -0.000 0.000 0.340 1077 F C -0.236 175.265 175.800 -0.498 0.000 1.113 1077 F CA -0.440 57.373 58.000 -0.311 0.000 1.022 1077 F CB 1.428 40.330 39.000 -0.163 0.000 1.128 1077 F HN 0.302 nan 8.300 nan 0.000 0.466 1078 F N 0.610 120.663 119.950 0.171 0.000 2.577 1078 F HA 0.425 4.951 4.527 -0.000 0.000 0.318 1078 F C -0.164 175.691 175.800 0.092 0.000 1.065 1078 F CA -1.042 57.026 58.000 0.113 0.000 0.929 1078 F CB 1.731 40.773 39.000 0.070 0.000 1.237 1078 F HN 0.322 nan 8.300 nan 0.000 0.468 1079 E N 2.255 122.618 120.200 0.272 0.000 2.146 1079 E HA 0.375 4.725 4.350 -0.000 0.000 0.282 1079 E C -1.422 175.247 176.600 0.116 0.000 0.989 1079 E CA -0.789 55.706 56.400 0.157 0.000 0.799 1079 E CB 2.035 31.794 29.700 0.099 0.000 1.088 1079 E HN 0.274 nan 8.360 nan 0.000 0.397 1080 L N 4.227 125.498 121.223 0.080 0.000 2.316 1080 L HA 0.271 4.611 4.340 -0.000 0.000 0.280 1080 L C -0.635 176.250 176.870 0.026 0.000 1.006 1080 L CA -0.145 54.705 54.840 0.017 0.000 0.836 1080 L CB 0.290 42.347 42.059 -0.003 0.000 1.221 1080 L HN 0.543 nan 8.230 nan 0.000 0.418 1081 N N 4.353 123.074 118.700 0.034 0.000 2.699 1081 N HA -0.212 4.527 4.740 -0.000 0.000 0.256 1081 N C 0.952 176.497 175.510 0.059 0.000 0.993 1081 N CA 0.770 53.866 53.050 0.076 0.000 0.759 1081 N CB -0.943 37.577 38.487 0.055 0.000 0.906 1081 N HN 1.218 nan 8.380 nan 0.000 0.541 1082 G N -0.764 108.066 108.800 0.051 0.000 2.155 1082 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.257 1082 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.257 1082 G C -0.135 174.790 174.900 0.043 0.000 0.983 1082 G CA 0.734 45.858 45.100 0.039 0.000 0.676 1082 G HN 0.668 nan 8.290 nan 0.000 0.528 1083 Q N -0.427 119.403 119.800 0.051 0.000 2.337 1083 Q HA 0.676 5.015 4.340 -0.000 0.000 0.266 1083 Q C -0.402 175.647 176.000 0.081 0.000 1.023 1083 Q CA -1.170 54.667 55.803 0.056 0.000 0.829 1083 Q CB 1.313 30.078 28.738 0.046 0.000 1.306 1083 Q HN 0.263 nan 8.270 nan 0.000 0.449 1084 L N 4.041 125.316 121.223 0.087 0.000 2.367 1084 L HA 0.374 4.713 4.340 -0.000 0.000 0.275 1084 L C -0.805 176.149 176.870 0.141 0.000 1.129 1084 L CA 0.798 55.712 54.840 0.122 0.000 0.839 1084 L CB 0.417 42.539 42.059 0.105 0.000 1.133 1084 L HN 0.636 nan 8.230 nan 0.000 0.453 1085 R N 2.549 123.165 120.500 0.193 0.000 2.643 1085 R HA 0.582 4.922 4.340 -0.000 0.000 0.269 1085 R C -1.315 175.093 176.300 0.181 0.000 1.037 1085 R CA -0.591 55.612 56.100 0.172 0.000 0.894 1085 R CB 2.163 32.559 30.300 0.160 0.000 1.238 1085 R HN 0.767 nan 8.270 nan 0.000 0.459 1086 S N 1.685 117.421 115.700 0.059 0.000 2.599 1086 S HA 0.714 5.184 4.470 -0.000 0.000 0.287 1086 S C -0.580 173.978 174.600 -0.071 0.000 1.105 1086 S CA -0.848 57.264 58.200 -0.145 0.000 0.899 1086 S CB 1.901 64.783 63.200 -0.531 0.000 1.100 1086 S HN 0.348 nan 8.310 nan 0.000 0.482 1087 I N 1.993 122.490 120.570 -0.122 0.000 2.478 1087 I HA 0.351 4.521 4.170 -0.000 0.000 0.287 1087 I C -0.643 175.383 176.117 -0.151 0.000 1.042 1087 I CA -0.836 60.426 61.300 -0.063 0.000 1.067 1087 I CB 1.419 39.434 38.000 0.026 0.000 1.233 1087 I HN 0.726 nan 8.210 nan 0.000 0.431 1088 L N 6.196 127.357 121.223 -0.103 0.000 2.410 1088 L HA 0.349 4.689 4.340 -0.000 0.000 0.273 1088 L C -0.249 176.555 176.870 -0.109 0.000 1.144 1088 L CA -0.152 54.634 54.840 -0.090 0.000 0.863 1088 L CB 0.905 42.947 42.059 -0.028 0.000 1.140 1088 L HN 0.275 nan 8.230 nan 0.000 0.463 1089 V N 3.507 123.361 119.914 -0.100 0.000 2.577 1089 V HA 0.254 4.373 4.120 -0.000 0.000 0.303 1089 V C -0.087 175.998 176.094 -0.016 0.000 1.042 1089 V CA -1.000 61.253 62.300 -0.079 0.000 0.872 1089 V CB 2.023 33.773 31.823 -0.122 0.000 0.998 1089 V HN 0.548 nan 8.190 nan 0.000 0.423 1090 K N 3.032 123.468 120.400 0.059 0.000 2.379 1090 K HA 0.139 4.458 4.320 -0.000 0.000 0.284 1090 K C -0.103 176.499 176.600 0.004 0.000 1.044 1090 K CA 0.145 56.464 56.287 0.054 0.000 0.974 1090 K CB 0.383 32.950 32.500 0.113 0.000 0.962 1090 K HN 0.642 nan 8.250 nan 0.000 0.474 1091 D N 3.727 124.115 120.400 -0.021 0.000 2.483 1091 D HA 0.076 4.716 4.640 -0.000 0.000 0.220 1091 D C 0.231 176.514 176.300 -0.028 0.000 1.173 1091 D CA 0.124 54.094 54.000 -0.050 0.000 0.964 1091 D CB 0.580 41.352 40.800 -0.047 0.000 1.046 1091 D HN 0.629 nan 8.370 nan 0.000 0.517 1092 T N 2.293 116.830 114.554 -0.028 0.000 2.622 1092 T HA -0.230 4.120 4.350 -0.000 0.000 0.266 1092 T C 1.661 176.355 174.700 -0.011 0.000 1.047 1092 T CA 1.346 63.448 62.100 0.004 0.000 1.159 1092 T CB -0.127 68.758 68.868 0.030 0.000 0.863 1092 T HN 0.525 nan 8.240 nan 0.000 0.422 1093 Q N 0.568 120.347 119.800 -0.035 0.000 2.224 1093 Q HA -0.192 4.148 4.340 -0.000 0.000 0.213 1093 Q C 1.237 177.223 176.000 -0.024 0.000 0.998 1093 Q CA 1.834 57.617 55.803 -0.033 0.000 0.895 1093 Q CB -0.225 28.481 28.738 -0.054 0.000 0.926 1093 Q HN 0.498 nan 8.270 nan 0.000 0.417 1094 A N -0.177 122.627 122.820 -0.026 0.000 2.793 1094 A HA 0.275 4.595 4.320 -0.000 0.000 0.301 1094 A C 0.903 178.479 177.584 -0.013 0.000 1.172 1094 A CA -0.426 51.599 52.037 -0.020 0.000 0.973 1094 A CB 0.044 19.030 19.000 -0.025 0.000 1.164 1094 A HN 0.452 nan 8.150 nan 0.000 0.542 1095 M N -0.587 119.010 119.600 -0.006 0.000 2.465 1095 M HA 0.180 4.660 4.480 -0.000 0.000 0.249 1095 M C 0.148 176.449 176.300 0.003 0.000 1.130 1095 M CA 0.475 55.776 55.300 0.001 0.000 1.067 1095 M CB -0.001 32.606 32.600 0.012 0.000 1.394 1095 M HN 0.181 nan 8.290 nan 0.000 0.483 1096 K N 3.105 123.506 120.400 0.002 0.000 2.245 1096 K HA 0.031 4.351 4.320 -0.000 0.000 0.281 1096 K C -0.260 176.340 176.600 -0.001 0.000 1.079 1096 K CA 0.171 56.460 56.287 0.003 0.000 1.000 1096 K CB 0.218 32.720 32.500 0.003 0.000 1.038 1096 K HN 0.242 nan 8.250 nan 0.000 0.430 1104 A N 0.850 123.622 122.820 -0.079 0.000 2.498 1104 A HA 0.838 5.158 4.320 -0.000 0.000 0.298 1104 A C -1.772 175.772 177.584 -0.066 0.000 1.075 1104 A CA -0.631 51.351 52.037 -0.091 0.000 0.714 1104 A CB 0.915 19.814 19.000 -0.168 0.000 1.299 1104 A HN 0.406 nan 8.150 nan 0.000 0.407 1105 L N 1.620 122.815 121.223 -0.047 0.000 2.529 1105 L HA 0.437 4.777 4.340 -0.000 0.000 0.258 1105 L C 0.341 177.198 176.870 -0.022 0.000 1.032 1105 L CA -0.413 54.411 54.840 -0.027 0.000 0.899 1105 L CB 1.467 43.516 42.059 -0.017 0.000 1.174 1105 L HN 0.606 nan 8.230 nan 0.000 0.458 1106 K N 1.200 121.589 120.400 -0.019 0.000 2.469 1106 K HA 0.152 4.472 4.320 -0.000 0.000 0.201 1106 K C -0.381 176.219 176.600 -0.000 0.000 1.028 1106 K CA 0.005 56.285 56.287 -0.013 0.000 1.170 1106 K CB -0.046 32.447 32.500 -0.012 0.000 0.874 1106 K HN 0.698 nan 8.250 nan 0.000 0.507 1107 D N -1.340 119.061 120.400 0.001 0.000 3.841 1107 D HA -0.244 4.396 4.640 -0.000 0.000 0.276 1107 D C 1.382 177.686 176.300 0.007 0.000 2.088 1107 D CA 1.164 55.166 54.000 0.004 0.000 1.152 1107 D CB -0.561 40.241 40.800 0.003 0.000 0.944 1107 D HN -0.148 nan 8.370 nan 0.000 1.144 1108 V N -0.313 119.606 119.914 0.007 0.000 2.236 1108 V HA -0.300 3.820 4.120 -0.000 0.000 0.255 1108 V C 1.425 177.524 176.094 0.010 0.000 1.068 1108 V CA 2.583 64.888 62.300 0.008 0.000 1.044 1108 V CB -0.537 31.291 31.823 0.008 0.000 0.653 1108 V HN 0.374 nan 8.190 nan 0.000 0.448 1109 K N 0.244 120.650 120.400 0.010 0.000 2.276 1109 K HA 0.343 4.663 4.320 -0.000 0.000 0.259 1109 K C 0.851 177.459 176.600 0.014 0.000 1.001 1109 K CA 0.406 56.700 56.287 0.012 0.000 0.927 1109 K CB 0.162 32.669 32.500 0.012 0.000 0.969 1109 K HN 0.424 nan 8.250 nan 0.000 0.490 1110 G N 2.342 111.150 108.800 0.014 0.000 2.513 1110 G HA2 -0.148 3.811 3.960 -0.000 0.000 0.290 1110 G HA3 -0.148 3.811 3.960 -0.000 0.000 0.290 1110 G C -0.443 174.469 174.900 0.019 0.000 0.708 1110 G CA 0.491 45.600 45.100 0.015 0.000 2.012 1110 G HN 0.443 nan 8.290 nan 0.000 0.493 1111 Q N -0.131 119.681 119.800 0.021 0.000 2.495 1111 Q HA 0.548 4.888 4.340 -0.000 0.000 0.287 1111 Q C -0.701 175.316 176.000 0.028 0.000 1.078 1111 Q CA -0.946 54.875 55.803 0.029 0.000 0.793 1111 Q CB 2.351 31.109 28.738 0.033 0.000 1.459 1111 Q HN 0.406 nan 8.270 nan 0.000 0.422 1112 I N 1.296 121.889 120.570 0.038 0.000 2.354 1112 I HA 0.546 4.716 4.170 -0.000 0.000 0.286 1112 I C 0.192 176.333 176.117 0.041 0.000 1.007 1112 I CA -0.337 60.984 61.300 0.035 0.000 1.167 1112 I CB 1.471 39.491 38.000 0.034 0.000 1.320 1112 I HN 0.572 nan 8.210 nan 0.000 0.458 1113 G N 3.834 112.651 108.800 0.029 0.000 2.816 1113 G HA2 0.765 4.724 3.960 -0.000 0.000 0.288 1113 G HA3 0.765 4.724 3.960 -0.000 0.000 0.288 1113 G C -1.213 173.699 174.900 0.020 0.000 1.334 1113 G CA -0.829 44.286 45.100 0.025 0.000 0.978 1113 G HN 0.649 nan 8.290 nan 0.000 0.493 1114 A N 0.259 123.088 122.820 0.016 0.000 2.354 1114 A HA 0.619 4.939 4.320 -0.000 0.000 0.281 1114 A C -1.421 176.169 177.584 0.010 0.000 1.174 1114 A CA -1.161 50.884 52.037 0.013 0.000 0.828 1114 A CB 0.851 19.858 19.000 0.012 0.000 1.099 1114 A HN 0.348 nan 8.150 nan 0.000 0.516 1115 P HA 0.067 nan 4.420 nan 0.000 0.230 1115 P C -0.026 177.277 177.300 0.006 0.000 1.168 1115 P CA 0.885 63.989 63.100 0.007 0.000 0.793 1115 P CB 0.259 31.963 31.700 0.007 0.000 0.851 1116 M N 0.112 119.715 119.600 0.006 0.000 2.321 1116 M HA 0.370 4.850 4.480 -0.000 0.000 0.315 1116 M C -2.780 173.523 176.300 0.005 0.000 1.052 1116 M CA -2.412 52.891 55.300 0.005 0.000 0.936 1116 M CB 2.127 34.730 32.600 0.005 0.000 1.639 1116 M HN -0.324 nan 8.290 nan 0.000 0.433 1117 P HA 0.370 nan 4.420 nan 0.000 0.273 1117 P C -0.242 177.060 177.300 0.004 0.000 1.319 1117 P CA 0.122 63.224 63.100 0.004 0.000 0.885 1117 P CB 0.313 32.014 31.700 0.002 0.000 1.015 1118 G N 1.974 110.777 108.800 0.005 0.000 2.619 1118 G HA2 0.350 4.310 3.960 -0.000 0.000 0.305 1118 G HA3 0.350 4.310 3.960 -0.000 0.000 0.305 1118 G C -1.304 173.600 174.900 0.006 0.000 1.330 1118 G CA -0.839 44.264 45.100 0.005 0.000 0.789 1118 G HN 0.173 nan 8.290 nan 0.000 0.487 1119 K N -0.427 119.976 120.400 0.006 0.000 2.258 1119 K HA 0.462 4.781 4.320 -0.000 0.000 0.264 1119 K C -0.338 176.267 176.600 0.008 0.000 1.007 1119 K CA -0.336 55.955 56.287 0.006 0.000 0.941 1119 K CB 1.730 34.233 32.500 0.005 0.000 0.966 1119 K HN 0.164 nan 8.250 nan 0.000 0.480 1120 V N 4.032 123.952 119.914 0.009 0.000 2.439 1120 V HA 0.156 4.275 4.120 -0.000 0.000 0.282 1120 V C 0.962 177.061 176.094 0.009 0.000 1.039 1120 V CA -0.114 62.193 62.300 0.011 0.000 0.913 1120 V CB 1.006 32.837 31.823 0.014 0.000 0.983 1120 V HN 0.690 nan 8.190 nan 0.000 0.460 1121 I N 1.290 121.864 120.570 0.007 0.000 4.244 1121 I HA 0.289 4.459 4.170 -0.000 0.000 0.318 1121 I C -0.035 176.086 176.117 0.005 0.000 1.282 1121 I CA 0.269 61.572 61.300 0.006 0.000 1.276 1121 I CB 0.571 38.574 38.000 0.005 0.000 1.183 1121 I HN 0.526 nan 8.210 nan 0.000 0.431 1122 D N 1.483 121.886 120.400 0.005 0.000 2.252 1122 D HA 0.520 5.160 4.640 -0.000 0.000 0.245 1122 D C -0.281 176.021 176.300 0.003 0.000 1.009 1122 D CA -0.273 53.729 54.000 0.004 0.000 0.870 1122 D CB 2.170 42.972 40.800 0.003 0.000 1.251 1122 D HN 0.117 nan 8.370 nan 0.000 0.460 1123 I N -1.132 119.438 120.570 0.001 0.000 2.905 1123 I HA 0.342 4.512 4.170 -0.000 0.000 0.297 1123 I C 0.753 176.867 176.117 -0.004 0.000 1.358 1123 I CA -0.687 60.611 61.300 -0.002 0.000 0.975 1123 I CB 0.765 38.764 38.000 -0.003 0.000 1.857 1123 I HN 0.040 nan 8.210 nan 0.000 0.612 1124 K N 1.619 122.017 120.400 -0.003 0.000 2.007 1124 K HA 0.042 4.361 4.320 -0.000 0.000 0.206 1124 K C 0.912 177.509 176.600 -0.005 0.000 1.047 1124 K CA 1.299 57.584 56.287 -0.003 0.000 0.937 1124 K CB 0.046 32.545 32.500 -0.002 0.000 0.718 1124 K HN 0.555 nan 8.250 nan 0.000 0.438 1125 V N 0.411 120.320 119.914 -0.008 0.000 2.509 1125 V HA 0.278 4.398 4.120 -0.000 0.000 0.284 1125 V C 0.263 176.348 176.094 -0.015 0.000 1.047 1125 V CA -1.125 61.169 62.300 -0.010 0.000 0.952 1125 V CB 1.452 33.268 31.823 -0.011 0.000 0.988 1125 V HN -0.138 nan 8.190 nan 0.000 0.469 1126 V N 3.524 123.429 119.914 -0.014 0.000 2.715 1126 V HA 0.420 4.539 4.120 -0.000 0.000 0.299 1126 V C 1.225 177.305 176.094 -0.025 0.000 1.054 1126 V CA 0.187 62.476 62.300 -0.017 0.000 1.077 1126 V CB 0.909 32.724 31.823 -0.013 0.000 0.972 1126 V HN 1.291 nan 8.190 nan 0.000 0.484 1127 A N 3.808 126.609 122.820 -0.032 0.000 2.541 1127 A HA 0.520 4.840 4.320 -0.000 0.000 0.293 1127 A C 1.291 178.857 177.584 -0.029 0.000 1.307 1127 A CA 0.552 52.564 52.037 -0.042 0.000 0.978 1127 A CB -1.146 17.821 19.000 -0.054 0.000 1.111 1127 A HN 2.127 nan 8.150 nan 0.000 0.535 1128 G N 0.522 109.307 108.800 -0.025 0.000 2.155 1128 G HA2 0.303 4.263 3.960 -0.000 0.000 0.135 1128 G HA3 0.303 4.263 3.960 -0.000 0.000 0.135 1128 G C 0.116 175.009 174.900 -0.012 0.000 1.023 1128 G CA -0.057 45.033 45.100 -0.016 0.000 0.688 1128 G HN 1.871 nan 8.290 nan 0.000 0.499 1129 A N 0.159 122.972 122.820 -0.013 0.000 2.320 1129 A HA 0.796 5.116 4.320 -0.000 0.000 0.334 1129 A C 0.352 177.932 177.584 -0.007 0.000 1.147 1129 A CA -0.683 51.349 52.037 -0.009 0.000 0.820 1129 A CB 0.974 19.968 19.000 -0.009 0.000 1.218 1129 A HN 0.130 nan 8.150 nan 0.000 0.482 1130 K N 1.277 121.674 120.400 -0.005 0.000 2.412 1130 K HA 0.272 4.592 4.320 -0.000 0.000 0.284 1130 K C -0.406 176.192 176.600 -0.003 0.000 1.046 1130 K CA 0.158 56.443 56.287 -0.003 0.000 0.999 1130 K CB 0.554 33.053 32.500 -0.002 0.000 0.941 1130 K HN 0.687 nan 8.250 nan 0.000 0.474 1131 V N 0.462 120.375 119.914 -0.002 0.000 2.289 1131 V HA 0.417 4.537 4.120 -0.000 0.000 0.272 1131 V C 0.722 176.816 176.094 0.000 0.000 1.026 1131 V CA -0.729 61.570 62.300 -0.001 0.000 0.807 1131 V CB 0.831 32.653 31.823 -0.002 0.000 1.044 1131 V HN 0.718 nan 8.190 nan 0.000 0.443 1132 A N 5.710 128.530 122.820 0.000 0.000 2.028 1132 A HA 0.305 4.625 4.320 -0.000 0.000 0.213 1132 A C 1.436 179.021 177.584 0.001 0.000 1.486 1132 A CA 0.645 52.683 52.037 0.001 0.000 0.597 1132 A CB -0.249 18.751 19.000 0.001 0.000 1.089 1132 A HN 0.704 nan 8.150 nan 0.000 0.489 1133 K N -0.305 120.096 120.400 0.001 0.000 2.332 1133 K HA 0.267 4.587 4.320 -0.000 0.000 0.246 1133 K C 0.739 177.340 176.600 0.002 0.000 1.066 1133 K CA 0.241 56.529 56.287 0.002 0.000 0.898 1133 K CB -0.875 31.626 32.500 0.002 0.000 1.192 1133 K HN 0.364 nan 8.250 nan 0.000 0.509 1134 G N 1.446 110.247 108.800 0.002 0.000 2.789 1134 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.281 1134 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.281 1134 G C -0.004 174.898 174.900 0.003 0.000 0.708 1134 G CA 0.041 45.142 45.100 0.003 0.000 2.067 1134 G HN 0.368 nan 8.290 nan 0.000 0.554 1135 Q N 2.433 122.234 119.800 0.002 0.000 2.241 1135 Q HA 0.298 4.637 4.340 -0.000 0.000 0.254 1135 Q C -2.210 173.792 176.000 0.002 0.000 0.917 1135 Q CA -2.204 53.600 55.803 0.002 0.000 0.919 1135 Q CB 2.182 30.921 28.738 0.001 0.000 1.237 1135 Q HN 0.231 nan 8.270 nan 0.000 0.434 1136 P HA -0.027 nan 4.420 nan 0.000 0.267 1136 P C -0.392 176.910 177.300 0.002 0.000 1.200 1136 P CA 0.474 63.576 63.100 0.003 0.000 0.772 1136 P CB 0.767 32.469 31.700 0.002 0.000 0.855 1137 L N 0.780 122.005 121.223 0.003 0.000 2.815 1137 L HA 0.335 4.674 4.340 -0.000 0.000 0.241 1137 L C 0.947 177.819 176.870 0.003 0.000 1.047 1137 L CA 0.209 55.050 54.840 0.002 0.000 0.939 1137 L CB 0.414 42.475 42.059 0.003 0.000 1.490 1137 L HN 0.385 nan 8.230 nan 0.000 0.510 1138 C N 0.122 119.426 119.300 0.005 0.000 3.086 1138 C HA 0.782 5.242 4.460 -0.000 0.000 0.311 1138 C C -1.177 173.818 174.990 0.007 0.000 1.260 1138 C CA -0.561 58.461 59.018 0.007 0.000 1.426 1138 C CB 2.033 29.779 27.740 0.011 0.000 1.826 1138 C HN -0.021 nan 8.230 nan 0.000 0.474 1139 V N 5.448 125.366 119.914 0.007 0.000 2.531 1139 V HA 0.540 4.660 4.120 -0.000 0.000 0.301 1139 V C -0.364 175.734 176.094 0.007 0.000 1.034 1139 V CA -0.270 62.033 62.300 0.006 0.000 0.865 1139 V CB 1.608 33.434 31.823 0.005 0.000 0.995 1139 V HN 0.774 nan 8.190 nan 0.000 0.424 1140 L N 3.574 124.801 121.223 0.007 0.000 2.332 1140 L HA 0.866 5.206 4.340 -0.000 0.000 0.269 1140 L C 0.054 176.927 176.870 0.005 0.000 1.016 1140 L CA -0.436 54.408 54.840 0.007 0.000 0.809 1140 L CB 2.163 44.226 42.059 0.007 0.000 1.280 1140 L HN 0.747 nan 8.230 nan 0.000 0.447 1141 S N -0.192 115.511 115.700 0.005 0.000 2.736 1141 S HA 0.836 5.306 4.470 -0.000 0.000 0.285 1141 S C -0.576 174.026 174.600 0.003 0.000 1.163 1141 S CA -0.307 57.896 58.200 0.004 0.000 1.025 1141 S CB 1.743 64.945 63.200 0.004 0.000 1.030 1141 S HN 0.807 nan 8.310 nan 0.000 0.486 1142 A N 3.949 126.771 122.820 0.003 0.000 3.754 1142 A HA 0.738 5.058 4.320 -0.000 0.000 0.177 1142 A C 0.448 178.033 177.584 0.002 0.000 1.197 1142 A CA -0.761 51.278 52.037 0.002 0.000 1.373 1142 A CB 0.130 19.132 19.000 0.003 0.000 1.583 1142 A HN 0.775 nan 8.150 nan 0.000 0.668 1143 M N 1.372 120.973 119.600 0.002 0.000 3.102 1143 M HA 0.096 4.575 4.480 -0.000 0.000 0.269 1143 M C -0.423 175.878 176.300 0.001 0.000 1.551 1143 M CA 0.810 56.111 55.300 0.001 0.000 1.629 1143 M CB -1.187 31.413 32.600 0.001 0.000 1.324 1143 M HN 0.631 nan 8.290 nan 0.000 0.509 1144 K N -0.286 120.114 120.400 0.001 0.000 3.209 1144 K HA -0.189 4.131 4.320 -0.000 0.000 0.289 1144 K C -0.340 176.261 176.600 0.002 0.000 1.191 1144 K CA 0.921 57.209 56.287 0.001 0.000 0.851 1144 K CB -1.493 31.007 32.500 0.001 0.000 1.242 1144 K HN 0.561 nan 8.250 nan 0.000 0.480 1145 M N -0.002 119.599 119.600 0.002 0.000 2.777 1145 M HA 0.368 4.848 4.480 -0.000 0.000 0.307 1145 M C -0.352 175.950 176.300 0.002 0.000 1.228 1145 M CA -0.597 54.704 55.300 0.002 0.000 0.871 1145 M CB 2.252 34.853 32.600 0.002 0.000 1.721 1145 M HN -0.002 nan 8.290 nan 0.000 0.487 1146 E N 0.266 120.467 120.200 0.003 0.000 2.331 1146 E HA 0.488 4.837 4.350 -0.000 0.000 0.275 1146 E C -1.641 174.961 176.600 0.003 0.000 0.895 1146 E CA -0.490 55.912 56.400 0.003 0.000 0.753 1146 E CB 2.880 32.582 29.700 0.003 0.000 1.216 1146 E HN 0.557 nan 8.360 nan 0.000 0.434 1147 T N 0.761 115.318 114.554 0.004 0.000 2.893 1147 T HA 0.394 4.743 4.350 -0.000 0.000 0.291 1147 T C -0.627 174.076 174.700 0.005 0.000 1.028 1147 T CA -0.600 61.503 62.100 0.004 0.000 0.995 1147 T CB 1.651 70.521 68.868 0.005 0.000 1.051 1147 T HN 0.112 nan 8.240 nan 0.000 0.470 1148 V N 2.826 122.743 119.914 0.004 0.000 2.328 1148 V HA 0.293 4.413 4.120 -0.000 0.000 0.278 1148 V C 0.130 176.227 176.094 0.005 0.000 1.021 1148 V CA -0.800 61.502 62.300 0.005 0.000 0.838 1148 V CB 1.393 33.218 31.823 0.004 0.000 0.999 1148 V HN 0.746 nan 8.190 nan 0.000 0.447 1149 V N 4.912 124.830 119.914 0.006 0.000 2.479 1149 V HA 0.114 4.234 4.120 -0.000 0.000 0.281 1149 V C 1.079 177.177 176.094 0.007 0.000 1.031 1149 V CA 0.504 62.809 62.300 0.008 0.000 1.038 1149 V CB 1.233 33.061 31.823 0.010 0.000 0.981 1149 V HN 1.022 nan 8.190 nan 0.000 0.478 1150 T N 3.926 118.484 114.554 0.007 0.000 2.652 1150 T HA 0.171 4.520 4.350 -0.000 0.000 0.319 1150 T C 1.102 175.806 174.700 0.007 0.000 1.029 1150 T CA 0.704 62.808 62.100 0.006 0.000 0.990 1150 T CB 1.167 70.038 68.868 0.006 0.000 1.098 1150 T HN 0.723 nan 8.240 nan 0.000 0.520 1151 S N -0.283 115.421 115.700 0.006 0.000 3.330 1151 S HA 0.309 4.779 4.470 -0.000 0.000 0.259 1151 S C -2.258 172.346 174.600 0.006 0.000 1.095 1151 S CA -0.142 58.061 58.200 0.006 0.000 0.841 1151 S CB -0.444 62.759 63.200 0.005 0.000 0.890 1151 S HN 0.660 nan 8.310 nan 0.000 0.446 1152 P HA -0.078 nan 4.420 nan 0.000 0.025 1152 P C -0.889 176.414 177.300 0.005 0.000 0.500 1152 P CA 1.214 64.317 63.100 0.005 0.000 1.034 1152 P CB -0.497 31.206 31.700 0.005 0.000 1.864 1153 M N 0.939 120.542 119.600 0.005 0.000 2.365 1153 M HA 0.311 4.791 4.480 -0.000 0.000 0.288 1153 M C -1.179 175.124 176.300 0.004 0.000 1.152 1153 M CA -0.317 54.987 55.300 0.006 0.000 0.948 1153 M CB 2.146 34.750 32.600 0.007 0.000 1.729 1153 M HN -0.160 nan 8.290 nan 0.000 0.487 1154 E N 2.117 122.319 120.200 0.004 0.000 2.222 1154 E HA 0.879 5.229 4.350 -0.000 0.000 0.272 1154 E C 0.070 176.671 176.600 0.003 0.000 0.982 1154 E CA -0.064 56.338 56.400 0.003 0.000 0.842 1154 E CB 1.720 31.422 29.700 0.003 0.000 1.144 1154 E HN 1.048 nan 8.360 nan 0.000 0.397 1155 G N 0.859 109.660 108.800 0.002 0.000 2.295 1155 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.195 1155 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.195 1155 G C -0.902 173.998 174.900 0.000 0.000 1.269 1155 G CA -0.590 44.511 45.100 0.002 0.000 1.170 1155 G HN 0.505 nan 8.290 nan 0.000 0.511 1156 T N 0.021 114.575 114.554 -0.000 0.000 2.887 1156 T HA 0.620 4.970 4.350 -0.000 0.000 0.288 1156 T C -0.023 174.674 174.700 -0.005 0.000 1.021 1156 T CA -0.379 61.719 62.100 -0.003 0.000 1.000 1156 T CB 2.203 71.070 68.868 -0.003 0.000 1.034 1156 T HN 0.923 nan 8.240 nan 0.000 0.467 1157 V N 3.924 123.832 119.914 -0.010 0.000 2.508 1157 V HA 0.180 4.300 4.120 -0.000 0.000 0.281 1157 V C 1.663 177.742 176.094 -0.025 0.000 1.041 1157 V CA -0.108 62.181 62.300 -0.018 0.000 1.016 1157 V CB 0.753 32.562 31.823 -0.024 0.000 0.984 1157 V HN 0.751 nan 8.190 nan 0.000 0.478 1158 R N 2.920 123.403 120.500 -0.028 0.000 2.104 1158 R HA 0.097 4.437 4.340 -0.000 0.000 0.219 1158 R C 0.578 176.834 176.300 -0.074 0.000 1.150 1158 R CA 1.117 57.196 56.100 -0.035 0.000 0.900 1158 R CB 0.139 30.430 30.300 -0.015 0.000 0.804 1158 R HN 0.578 nan 8.270 nan 0.000 0.448 1159 K N -0.194 120.117 120.400 -0.149 0.000 2.527 1159 K HA 0.226 4.545 4.320 -0.000 0.000 0.260 1159 K C -1.232 175.149 176.600 -0.366 0.000 0.937 1159 K CA -0.520 55.630 56.287 -0.228 0.000 0.826 1159 K CB 2.322 34.686 32.500 -0.225 0.000 1.359 1159 K HN -0.084 nan 8.250 nan 0.000 0.434 1160 V N 3.770 123.541 119.914 -0.239 0.000 2.673 1160 V HA 0.017 4.137 4.120 -0.000 0.000 0.303 1160 V C 0.508 176.438 176.094 -0.275 0.000 1.046 1160 V CA 0.563 62.749 62.300 -0.190 0.000 1.126 1160 V CB 0.779 32.554 31.823 -0.080 0.000 0.934 1160 V HN 0.871 nan 8.190 nan 0.000 0.487 1161 H N 1.352 120.425 119.070 0.006 0.000 2.729 1161 H HA 0.240 4.796 4.556 -0.000 0.000 0.263 1161 H C 0.536 175.867 175.328 0.006 0.000 0.961 1161 H CA 0.198 56.250 56.048 0.006 0.000 1.217 1161 H CB 0.850 30.616 29.762 0.007 0.000 1.447 1161 H HN 0.597 nan 8.280 nan 0.000 0.496 1162 V N -0.469 119.506 119.914 0.101 0.000 2.904 1162 V HA 0.367 4.487 4.120 -0.000 0.000 0.305 1162 V C 0.543 176.658 176.094 0.035 0.000 1.067 1162 V CA -0.505 61.832 62.300 0.061 0.000 1.044 1162 V CB 1.871 33.721 31.823 0.045 0.000 1.050 1162 V HN 0.116 nan 8.190 nan 0.000 0.475 1163 T N 1.457 116.028 114.554 0.028 0.000 2.235 1163 T HA 0.445 4.795 4.350 -0.000 0.000 0.194 1163 T C -0.203 174.506 174.700 0.014 0.000 0.754 1163 T CA -0.368 61.743 62.100 0.019 0.000 1.547 1163 T CB 0.294 69.173 68.868 0.019 0.000 3.195 1163 T HN 0.711 nan 8.240 nan 0.000 0.408 1164 K N 1.068 121.475 120.400 0.012 0.000 2.501 1164 K HA 0.304 4.624 4.320 -0.000 0.000 0.252 1164 K C -1.349 175.256 176.600 0.009 0.000 0.934 1164 K CA -0.466 55.826 56.287 0.009 0.000 0.797 1164 K CB 1.803 34.308 32.500 0.007 0.000 1.270 1164 K HN 0.520 nan 8.250 nan 0.000 0.431 1165 D N 1.376 121.781 120.400 0.008 0.000 3.076 1165 D HA -0.196 4.444 4.640 -0.000 0.000 0.218 1165 D C -0.320 175.984 176.300 0.008 0.000 1.156 1165 D CA 1.130 55.134 54.000 0.007 0.000 0.921 1165 D CB -0.295 40.508 40.800 0.006 0.000 1.113 1165 D HN 0.519 nan 8.370 nan 0.000 0.418 1166 M N 0.690 120.296 119.600 0.010 0.000 2.219 1166 M HA 0.028 4.508 4.480 -0.000 0.000 0.353 1166 M C 0.564 176.870 176.300 0.010 0.000 1.304 1166 M CA 0.663 55.969 55.300 0.011 0.000 1.115 1166 M CB 0.874 33.484 32.600 0.016 0.000 1.664 1166 M HN -0.194 nan 8.290 nan 0.000 0.459 1167 T N 4.730 119.288 114.554 0.008 0.000 2.870 1167 T HA 0.321 4.671 4.350 -0.000 0.000 0.300 1167 T C -0.470 174.234 174.700 0.007 0.000 0.989 1167 T CA -0.410 61.693 62.100 0.006 0.000 1.139 1167 T CB 0.245 69.115 68.868 0.004 0.000 0.920 1167 T HN 0.275 nan 8.240 nan 0.000 0.537 1168 L N 3.514 124.741 121.223 0.007 0.000 2.313 1168 L HA 0.391 4.731 4.340 -0.000 0.000 0.283 1168 L C 1.008 177.880 176.870 0.004 0.000 1.013 1168 L CA -0.042 54.802 54.840 0.007 0.000 0.816 1168 L CB 1.496 43.561 42.059 0.010 0.000 1.236 1168 L HN 0.708 nan 8.230 nan 0.000 0.419 1169 E N 1.754 121.955 120.200 0.002 0.000 2.025 1169 E HA 0.146 4.496 4.350 -0.000 0.000 0.198 1169 E C 0.789 177.389 176.600 0.000 0.000 0.955 1169 E CA 0.845 57.244 56.400 -0.000 0.000 0.862 1169 E CB 0.093 29.791 29.700 -0.003 0.000 0.837 1169 E HN 0.812 nan 8.360 nan 0.000 0.488 1170 G N 0.351 109.151 108.800 -0.001 0.000 3.157 1170 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.206 1170 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.206 1170 G C 0.519 175.419 174.900 0.001 0.000 1.903 1170 G CA 0.156 45.255 45.100 -0.000 0.000 0.771 1170 G HN 0.074 nan 8.290 nan 0.000 0.750 1171 D N 0.568 120.968 120.400 -0.000 0.000 2.117 1171 D HA 0.078 4.718 4.640 -0.000 0.000 0.197 1171 D C 0.632 176.934 176.300 0.003 0.000 0.987 1171 D CA 1.147 55.148 54.000 0.002 0.000 0.829 1171 D CB -0.385 40.415 40.800 0.000 0.000 0.961 1171 D HN 0.376 nan 8.370 nan 0.000 0.460 1172 D N -1.751 118.647 120.400 -0.003 0.000 5.134 1172 D HA -0.182 4.457 4.640 -0.000 0.000 0.314 1172 D C -0.437 175.863 176.300 -0.000 0.000 2.492 1172 D CA 1.053 55.050 54.000 -0.004 0.000 1.177 1172 D CB -0.093 40.710 40.800 0.005 0.000 1.155 1172 D HN 0.193 nan 8.370 nan 0.000 1.318 1173 L N -0.832 120.396 121.223 0.008 0.000 2.417 1173 L HA 0.595 4.935 4.340 -0.000 0.000 0.259 1173 L C 0.087 177.032 176.870 0.125 0.000 1.023 1173 L CA -0.886 53.973 54.840 0.033 0.000 0.901 1173 L CB 0.518 42.509 42.059 -0.114 0.000 1.227 1173 L HN 0.481 nan 8.230 nan 0.000 0.454 1174 I N 1.581 122.222 120.570 0.120 0.000 2.681 1174 I HA 0.228 4.398 4.170 -0.000 0.000 0.247 1174 I C 0.758 176.935 176.117 0.099 0.000 1.091 1174 I CA 0.684 62.041 61.300 0.096 0.000 1.442 1174 I CB 0.509 38.540 38.000 0.051 0.000 1.219 1174 I HN 0.520 nan 8.210 nan 0.000 0.451 1175 L N -1.185 120.099 121.223 0.101 0.000 2.441 1175 L HA 0.499 4.838 4.340 -0.000 0.000 0.240 1175 L C -1.228 175.686 176.870 0.075 0.000 1.145 1175 L CA -0.667 54.195 54.840 0.038 0.000 1.025 1175 L CB 2.151 44.213 42.059 0.005 0.000 1.585 1175 L HN -0.073 nan 8.230 nan 0.000 0.410 1176 E N 0.603 120.819 120.200 0.026 0.000 2.506 1176 E HA 0.503 4.852 4.350 -0.000 0.000 0.308 1176 E C -1.952 174.658 176.600 0.015 0.000 0.931 1176 E CA -0.250 56.175 56.400 0.042 0.000 0.800 1176 E CB 1.819 31.561 29.700 0.070 0.000 1.292 1176 E HN 0.394 nan 8.360 nan 0.000 0.401 1177 I N 3.611 124.192 120.570 0.018 0.000 2.646 1177 I HA 0.489 4.658 4.170 -0.000 0.000 0.299 1177 I C 0.057 176.181 176.117 0.012 0.000 1.036 1177 I CA -0.699 60.607 61.300 0.010 0.000 1.074 1177 I CB 1.852 39.857 38.000 0.008 0.000 1.258 1177 I HN 0.528 nan 8.210 nan 0.000 0.430 1178 E N 0.000 120.205 120.200 0.008 0.000 2.725 1178 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 1178 E CA 0.000 56.405 56.400 0.008 0.000 0.976 1178 E CB 0.000 29.705 29.700 0.009 0.000 0.812 1178 E HN 0.000 nan 8.360 nan 0.000 0.440