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_C 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 AMKE 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 0.000 175.988 176.000 -0.020 0.000 1.003 494 Q CA 0.000 55.793 55.803 -0.017 0.000 1.022 494 Q CB 0.000 28.728 28.738 -0.016 0.000 1.108 495 N N 1.308 119.994 118.700 -0.023 0.000 2.470 495 N HA 0.230 4.969 4.740 -0.002 0.000 0.268 495 N C 0.341 175.838 175.510 -0.023 0.000 1.136 495 N CA 0.880 53.915 53.050 -0.025 0.000 0.961 495 N CB 1.662 40.129 38.487 -0.034 0.000 1.067 495 N HN 0.377 nan 8.380 nan 0.000 0.468 496 R N 2.073 122.562 120.500 -0.018 0.000 2.493 496 R HA 0.027 4.365 4.340 -0.002 0.000 0.029 496 R C 0.819 177.114 176.300 -0.009 0.000 0.821 496 R CA 0.666 56.758 56.100 -0.014 0.000 3.327 496 R CB -1.123 29.168 30.300 -0.015 0.000 0.852 496 R HN 0.366 nan 8.270 nan 0.000 0.559 497 A N 1.396 124.204 122.820 -0.020 0.000 2.014 497 A HA -0.007 4.311 4.320 -0.002 0.000 0.218 497 A C 1.704 179.267 177.584 -0.034 0.000 1.163 497 A CA 1.287 53.304 52.037 -0.033 0.000 0.652 497 A CB -0.404 18.564 19.000 -0.052 0.000 0.808 497 A HN 0.475 nan 8.150 nan 0.000 0.449 498 Q N 0.252 120.041 119.800 -0.020 0.000 2.030 498 Q HA -0.193 4.146 4.340 -0.002 0.000 0.204 498 Q C 1.910 177.941 176.000 0.052 0.000 0.986 498 Q CA 1.813 57.613 55.803 -0.005 0.000 0.843 498 Q CB -0.306 28.425 28.738 -0.012 0.000 0.904 498 Q HN 0.693 nan 8.270 nan 0.000 0.420 499 K N 0.403 120.835 120.400 0.053 0.000 2.147 499 K HA -0.109 4.210 4.320 -0.002 0.000 0.205 499 K C 2.201 178.918 176.600 0.195 0.000 1.049 499 K CA 0.663 57.012 56.287 0.104 0.000 0.936 499 K CB -0.117 32.386 32.500 0.005 0.000 0.722 499 K HN 0.101 nan 8.250 nan 0.000 0.446 500 L N 0.901 122.190 121.223 0.111 0.000 2.072 500 L HA -0.116 4.223 4.340 -0.002 0.000 0.205 500 L C 2.082 179.011 176.870 0.098 0.000 1.079 500 L CA 0.948 55.859 54.840 0.118 0.000 0.752 500 L CB -0.014 42.077 42.059 0.053 0.000 0.906 500 L HN 0.143 nan 8.230 nan 0.000 0.436 501 L N -1.480 119.730 121.223 -0.022 0.000 2.156 501 L HA -0.239 4.099 4.340 -0.002 0.000 0.208 501 L C 2.469 179.386 176.870 0.079 0.000 1.095 501 L CA 1.109 55.826 54.840 -0.205 0.000 0.770 501 L CB -0.695 41.106 42.059 -0.429 0.000 0.914 501 L HN 0.450 nan 8.230 nan 0.000 0.439 502 H N -1.112 118.018 119.070 0.100 0.000 2.389 502 H HA -0.238 4.316 4.556 -0.003 0.000 0.299 502 H C 2.288 177.808 175.328 0.319 0.000 1.081 502 H CA 1.516 57.693 56.048 0.216 0.000 1.345 502 H CB 0.185 30.063 29.762 0.193 0.000 1.393 502 H HN 0.274 nan 8.280 nan 0.000 0.520 503 Y N 1.559 121.926 120.300 0.111 0.000 2.060 503 Y HA -0.239 4.309 4.550 -0.002 0.000 0.276 503 Y C 2.498 178.333 175.900 -0.108 0.000 1.127 503 Y CA 1.741 59.638 58.100 -0.339 0.000 1.104 503 Y CB -0.732 37.492 38.460 -0.393 0.000 0.983 503 Y HN 0.123 nan 8.280 nan 0.000 0.483 504 L N -0.098 121.112 121.223 -0.022 0.000 2.137 504 L HA -0.269 4.070 4.340 -0.002 0.000 0.213 504 L C 2.588 179.492 176.870 0.058 0.000 1.085 504 L CA 1.423 56.247 54.840 -0.027 0.000 0.760 504 L CB -1.291 40.869 42.059 0.168 0.000 0.893 504 L HN 0.518 nan 8.230 nan 0.000 0.434 505 G N -1.330 107.589 108.800 0.199 0.000 2.394 505 G HA2 -0.311 3.647 3.960 -0.002 0.000 0.214 505 G HA3 -0.311 3.647 3.960 -0.002 0.000 0.214 505 G C 1.325 176.279 174.900 0.090 0.000 1.176 505 G CA 0.880 46.131 45.100 0.251 0.000 0.786 505 G HN 0.442 nan 8.290 nan 0.000 0.533 506 H N 0.003 119.052 119.070 -0.034 0.000 2.387 506 H HA -0.047 4.507 4.556 -0.003 0.000 0.299 506 H C 2.499 177.703 175.328 -0.207 0.000 1.099 506 H CA 1.694 57.681 56.048 -0.102 0.000 1.315 506 H CB -0.037 29.615 29.762 -0.184 0.000 1.380 506 H HN 0.134 nan 8.280 nan 0.000 0.513 507 V N 0.659 120.386 119.914 -0.312 0.000 2.223 507 V HA -0.342 3.776 4.120 -0.002 0.000 0.244 507 V C 2.548 178.506 176.094 -0.228 0.000 1.045 507 V CA 2.286 64.386 62.300 -0.333 0.000 1.000 507 V CB -0.674 30.886 31.823 -0.438 0.000 0.635 507 V HN 0.503 nan 8.190 nan 0.000 0.445 508 M N -0.551 118.956 119.600 -0.155 0.000 2.146 508 M HA -0.225 4.253 4.480 -0.002 0.000 0.256 508 M C 2.007 178.241 176.300 -0.109 0.000 1.075 508 M CA 1.790 57.028 55.300 -0.102 0.000 1.082 508 M CB -0.538 32.032 32.600 -0.050 0.000 1.355 508 M HN 0.265 nan 8.290 nan 0.000 0.402 509 V N -0.595 119.240 119.914 -0.132 0.000 2.599 509 V HA -0.075 4.044 4.120 -0.002 0.000 0.245 509 V C 1.525 177.524 176.094 -0.159 0.000 1.046 509 V CA 1.292 63.518 62.300 -0.123 0.000 1.065 509 V CB -0.271 31.494 31.823 -0.097 0.000 0.703 509 V HN 0.448 nan 8.190 nan 0.000 0.464 510 N N -0.762 117.783 118.700 -0.258 0.000 2.257 510 N HA 0.315 5.053 4.740 -0.002 0.000 0.200 510 N C 0.831 176.230 175.510 -0.186 0.000 1.163 510 N CA 1.063 53.963 53.050 -0.250 0.000 0.891 510 N CB 1.756 39.994 38.487 -0.415 0.000 1.067 510 N HN 0.479 nan 8.380 nan 0.000 0.497 511 G N 1.777 110.461 108.800 -0.193 0.000 2.655 511 G HA2 -0.161 3.798 3.960 -0.002 0.000 0.680 511 G HA3 -0.161 3.798 3.960 -0.002 0.000 0.680 511 G C -2.831 171.996 174.900 -0.122 0.000 1.302 511 G CA -1.042 43.977 45.100 -0.136 0.000 0.872 511 G HN -0.035 nan 8.290 nan 0.000 0.540 512 P HA 0.062 nan 4.420 nan 0.000 0.263 512 P C 1.270 178.588 177.300 0.031 0.000 1.168 512 P CA 1.175 64.242 63.100 -0.054 0.000 0.759 512 P CB 0.269 31.951 31.700 -0.030 0.000 0.782 513 T N -1.331 113.274 114.554 0.086 0.000 3.088 513 T HA 0.008 4.357 4.350 -0.002 0.000 0.259 513 T C 0.873 175.701 174.700 0.212 0.000 1.122 513 T CA 0.503 62.723 62.100 0.199 0.000 1.095 513 T CB -0.323 68.716 68.868 0.286 0.000 0.930 513 T HN 0.489 nan 8.240 nan 0.000 0.508 514 T N 2.341 117.013 114.554 0.197 0.000 2.902 514 T HA 0.501 4.849 4.350 -0.002 0.000 0.283 514 T C -2.925 171.887 174.700 0.187 0.000 1.009 514 T CA -2.224 60.025 62.100 0.247 0.000 1.051 514 T CB 0.802 69.844 68.868 0.290 0.000 0.999 514 T HN -0.075 nan 8.240 nan 0.000 0.474 515 P HA 0.144 nan 4.420 nan 0.000 0.261 515 P C -0.796 176.553 177.300 0.081 0.000 1.183 515 P CA -0.081 63.077 63.100 0.097 0.000 0.761 515 P CB 0.063 31.787 31.700 0.040 0.000 0.785 516 I N 6.626 127.197 120.570 0.001 0.000 2.460 516 I HA 0.171 4.340 4.170 -0.002 0.000 0.277 516 I C -1.505 174.550 176.117 -0.104 0.000 1.057 516 I CA -2.518 58.700 61.300 -0.137 0.000 1.179 516 I CB 0.737 38.648 38.000 -0.147 0.000 1.329 516 I HN 0.254 nan 8.210 nan 0.000 0.478 517 P HA -0.070 nan 4.420 nan 0.000 0.214 517 P C 0.684 178.064 177.300 0.134 0.000 1.162 517 P CA 0.923 64.044 63.100 0.036 0.000 0.874 517 P CB 0.346 31.994 31.700 -0.087 0.000 0.784 518 V N -0.670 119.224 119.914 -0.034 0.000 2.407 518 V HA 0.407 4.526 4.120 -0.002 0.000 0.278 518 V C -0.057 175.993 176.094 -0.073 0.000 1.037 518 V CA -0.894 61.426 62.300 0.033 0.000 0.900 518 V CB 0.933 32.771 31.823 0.024 0.000 0.983 518 V HN -0.220 nan 8.190 nan 0.000 0.459 519 K N 5.616 125.999 120.400 -0.028 0.000 2.278 519 K HA 0.662 4.981 4.320 -0.002 0.000 0.237 519 K C 0.069 176.629 176.600 -0.065 0.000 1.229 519 K CA 0.767 57.020 56.287 -0.057 0.000 1.155 519 K CB 0.028 32.509 32.500 -0.032 0.000 1.590 519 K HN 1.013 nan 8.250 nan 0.000 0.290 520 A N -0.081 122.678 122.820 -0.101 0.000 2.430 520 A HA 0.701 5.020 4.320 -0.002 0.000 0.300 520 A C -0.714 176.801 177.584 -0.114 0.000 1.124 520 A CA -0.710 51.273 52.037 -0.091 0.000 0.766 520 A CB 1.729 20.683 19.000 -0.078 0.000 1.328 520 A HN 0.265 nan 8.150 nan 0.000 0.424 521 S N 0.629 116.276 115.700 -0.088 0.000 2.525 521 S HA 0.674 5.143 4.470 -0.002 0.000 0.290 521 S C -2.611 171.938 174.600 -0.086 0.000 1.152 521 S CA -1.404 56.742 58.200 -0.089 0.000 1.072 521 S CB 0.472 63.630 63.200 -0.071 0.000 1.027 521 S HN 0.487 nan 8.310 nan 0.000 0.500 522 P HA 0.013 nan 4.420 nan 0.000 0.261 522 P C -0.557 176.702 177.300 -0.068 0.000 1.173 522 P CA 0.169 63.215 63.100 -0.090 0.000 0.760 522 P CB 0.212 31.852 31.700 -0.100 0.000 0.783 523 S N 4.675 120.341 115.700 -0.056 0.000 2.552 523 S HA 0.063 4.532 4.470 -0.002 0.000 0.289 523 S C -1.044 173.530 174.600 -0.043 0.000 1.304 523 S CA -0.816 57.359 58.200 -0.042 0.000 1.063 523 S CB -0.132 63.049 63.200 -0.032 0.000 0.848 523 S HN 0.328 nan 8.310 nan 0.000 0.499 524 P HA 0.094 nan 4.420 nan 0.000 0.240 524 P C 0.375 177.660 177.300 -0.024 0.000 1.190 524 P CA 0.397 63.478 63.100 -0.032 0.000 0.781 524 P CB -0.146 31.538 31.700 -0.027 0.000 0.931 525 T N 0.876 115.416 114.554 -0.024 0.000 2.744 525 T HA 0.170 4.519 4.350 -0.002 0.000 0.291 525 T C -0.110 174.576 174.700 -0.023 0.000 0.957 525 T CA -0.703 61.386 62.100 -0.018 0.000 1.002 525 T CB 0.048 68.906 68.868 -0.017 0.000 0.919 525 T HN -0.142 nan 8.240 nan 0.000 0.468 526 D N 5.928 126.320 120.400 -0.012 0.000 2.423 526 D HA 0.180 4.818 4.640 -0.002 0.000 0.238 526 D C -2.038 174.246 176.300 -0.026 0.000 1.142 526 D CA -0.566 53.430 54.000 -0.008 0.000 0.884 526 D CB 0.933 41.743 40.800 0.018 0.000 1.199 526 D HN 0.483 nan 8.370 nan 0.000 0.438 527 P HA 0.073 nan 4.420 nan 0.000 0.275 527 P C -0.521 176.784 177.300 0.009 0.000 1.227 527 P CA -0.424 62.609 63.100 -0.112 0.000 0.781 527 P CB 0.678 32.200 31.700 -0.297 0.000 0.906 528 V N 4.380 124.306 119.914 0.020 0.000 2.372 528 V HA 0.068 4.186 4.120 -0.002 0.000 0.261 528 V C 0.328 176.501 176.094 0.131 0.000 1.055 528 V CA -0.302 62.035 62.300 0.062 0.000 0.930 528 V CB 0.656 32.498 31.823 0.031 0.000 1.031 528 V HN 0.255 nan 8.190 nan 0.000 0.479 529 V N 8.096 128.064 119.914 0.091 0.000 2.406 529 V HA 0.316 4.434 4.120 -0.002 0.000 0.272 529 V C -1.665 174.407 176.094 -0.037 0.000 1.043 529 V CA -1.442 60.854 62.300 -0.006 0.000 0.915 529 V CB 1.005 32.803 31.823 -0.041 0.000 0.988 529 V HN 0.756 nan 8.190 nan 0.000 0.466 530 P HA 0.389 nan 4.420 nan 0.000 0.274 530 P C -0.239 177.090 177.300 0.048 0.000 1.246 530 P CA -0.328 62.743 63.100 -0.048 0.000 0.795 530 P CB 0.507 32.100 31.700 -0.179 0.000 1.006 531 A N 0.840 123.702 122.820 0.069 0.000 2.483 531 A HA 0.418 4.737 4.320 -0.002 0.000 0.238 531 A C -0.255 177.381 177.584 0.087 0.000 1.070 531 A CA -0.037 52.035 52.037 0.059 0.000 0.770 531 A CB -0.016 19.005 19.000 0.036 0.000 1.008 531 A HN 0.429 nan 8.150 nan 0.000 0.497 532 V N 3.985 123.908 119.914 0.016 0.000 2.733 532 V HA 0.540 4.659 4.120 -0.002 0.000 0.306 532 V C -2.510 173.456 176.094 -0.215 0.000 1.084 532 V CA -1.666 60.588 62.300 -0.076 0.000 0.905 532 V CB 1.863 33.690 31.823 0.005 0.000 1.010 532 V HN 0.934 nan 8.190 nan 0.000 0.424 533 P HA 0.279 nan 4.420 nan 0.000 0.265 533 P C -0.298 176.801 177.300 -0.336 0.000 1.193 533 P CA 0.137 63.019 63.100 -0.364 0.000 0.765 533 P CB 0.400 31.856 31.700 -0.407 0.000 0.823 534 I N 1.448 121.938 120.570 -0.133 0.000 2.575 534 I HA 0.421 4.590 4.170 -0.002 0.000 0.285 534 I C 0.936 177.064 176.117 0.017 0.000 1.085 534 I CA 1.183 62.459 61.300 -0.040 0.000 1.403 534 I CB 0.095 38.084 38.000 -0.018 0.000 1.409 534 I HN 0.760 nan 8.210 nan 0.000 0.557 535 G N 6.569 115.413 108.800 0.073 0.000 2.548 535 G HA2 -0.133 3.826 3.960 -0.002 0.000 0.208 535 G HA3 -0.133 3.826 3.960 -0.002 0.000 0.208 535 G C -2.822 172.167 174.900 0.148 0.000 1.308 535 G CA -0.605 44.547 45.100 0.087 0.000 0.924 535 G HN 0.598 nan 8.290 nan 0.000 0.540 536 P HA 0.362 nan 4.420 nan 0.000 0.275 536 P C -2.336 174.920 177.300 -0.074 0.000 1.227 536 P CA -0.840 62.254 63.100 -0.010 0.000 0.781 536 P CB 0.569 32.254 31.700 -0.026 0.000 0.906 537 P HA 0.255 nan 4.420 nan 0.000 0.272 537 P C -2.458 174.710 177.300 -0.219 0.000 1.230 537 P CA -1.326 61.434 63.100 -0.567 0.000 0.788 537 P CB -0.961 30.393 31.700 -0.576 0.000 0.949 538 P HA 0.145 nan 4.420 nan 0.000 0.272 538 P C -0.428 176.803 177.300 -0.114 0.000 1.240 538 P CA -0.268 62.772 63.100 -0.101 0.000 0.791 538 P CB 0.062 31.713 31.700 -0.083 0.000 0.978 539 A N 1.229 123.987 122.820 -0.102 0.000 2.567 539 A HA 0.435 4.754 4.320 -0.002 0.000 0.240 539 A C 0.965 178.467 177.584 -0.137 0.000 1.053 539 A CA 0.898 52.867 52.037 -0.113 0.000 0.755 539 A CB -0.855 18.079 19.000 -0.110 0.000 0.978 539 A HN 0.636 nan 8.150 nan 0.000 0.507 540 G N -0.034 108.688 108.800 -0.131 0.000 2.940 540 G HA2 0.506 4.465 3.960 -0.002 0.000 0.164 540 G HA3 0.506 4.465 3.960 -0.002 0.000 0.164 540 G C 0.078 174.872 174.900 -0.178 0.000 1.326 540 G CA -0.285 44.741 45.100 -0.123 0.000 1.020 540 G HN 0.551 nan 8.290 nan 0.000 0.586 541 F N -0.640 119.297 119.950 -0.021 0.000 2.714 541 F HA 0.267 4.794 4.527 -0.001 0.000 0.294 541 F C 2.793 178.532 175.800 -0.101 0.000 1.120 541 F CA -0.233 57.781 58.000 0.024 0.000 1.398 541 F CB 0.522 39.615 39.000 0.155 0.000 1.120 541 F HN 0.053 nan 8.300 nan 0.000 0.589 542 R N 0.692 121.191 120.500 -0.002 0.000 2.120 542 R HA -0.145 4.194 4.340 -0.002 0.000 0.234 542 R C 1.042 177.292 176.300 -0.084 0.000 1.123 542 R CA 1.583 57.613 56.100 -0.116 0.000 0.975 542 R CB -0.692 29.517 30.300 -0.152 0.000 0.866 542 R HN 0.315 nan 8.270 nan 0.000 0.446 543 D N -0.163 120.201 120.400 -0.059 0.000 2.264 543 D HA -0.061 4.577 4.640 -0.002 0.000 0.208 543 D C 1.571 177.858 176.300 -0.022 0.000 0.966 543 D CA 0.763 54.730 54.000 -0.055 0.000 0.864 543 D CB 0.099 40.857 40.800 -0.070 0.000 0.933 543 D HN 0.254 nan 8.370 nan 0.000 0.499 544 I N -0.549 120.038 120.570 0.029 0.000 3.265 544 I HA 0.002 4.170 4.170 -0.002 0.000 0.282 544 I C 1.772 177.950 176.117 0.101 0.000 1.207 544 I CA 0.051 61.407 61.300 0.095 0.000 1.449 544 I CB 0.252 38.374 38.000 0.203 0.000 1.121 544 I HN -0.008 nan 8.210 nan 0.000 0.442 545 L N 0.837 122.079 121.223 0.032 0.000 1.993 545 L HA -0.117 4.221 4.340 -0.002 0.000 0.206 545 L C 2.348 179.179 176.870 -0.064 0.000 1.074 545 L CA 1.808 56.606 54.840 -0.070 0.000 0.746 545 L CB -0.287 41.587 42.059 -0.309 0.000 0.896 545 L HN 0.068 nan 8.230 nan 0.000 0.435 546 L N -0.604 120.568 121.223 -0.084 0.000 2.129 546 L HA -0.246 4.093 4.340 -0.002 0.000 0.212 546 L C 2.720 179.566 176.870 -0.039 0.000 1.087 546 L CA 1.478 56.276 54.840 -0.070 0.000 0.757 546 L CB -0.534 41.477 42.059 -0.081 0.000 0.896 546 L HN 0.245 nan 8.230 nan 0.000 0.434 547 R N -0.580 119.906 120.500 -0.023 0.000 2.057 547 R HA -0.080 4.259 4.340 -0.002 0.000 0.224 547 R C 2.088 178.392 176.300 0.007 0.000 1.136 547 R CA 1.051 57.146 56.100 -0.008 0.000 0.968 547 R CB -0.097 30.200 30.300 -0.005 0.000 0.863 547 R HN 0.147 nan 8.270 nan 0.000 0.433 548 E N -0.525 119.691 120.200 0.027 0.000 2.400 548 E HA 0.128 4.476 4.350 -0.002 0.000 0.195 548 E C -0.096 176.530 176.600 0.043 0.000 1.012 548 E CA 0.503 56.929 56.400 0.044 0.000 0.875 548 E CB 0.842 30.586 29.700 0.074 0.000 0.859 548 E HN 0.444 nan 8.360 nan 0.000 0.498 549 G N 0.272 109.087 108.800 0.024 0.000 2.716 549 G HA2 -0.179 3.780 3.960 -0.002 0.000 0.686 549 G HA3 -0.179 3.780 3.960 -0.002 0.000 0.686 549 G C -1.939 172.965 174.900 0.006 0.000 1.337 549 G CA -0.555 44.546 45.100 0.001 0.000 0.829 549 G HN -0.035 nan 8.290 nan 0.000 0.599 550 P HA -0.143 nan 4.420 nan 0.000 0.219 550 P C 1.526 178.794 177.300 -0.052 0.000 1.153 550 P CA 2.137 65.118 63.100 -0.200 0.000 0.865 550 P CB 0.039 31.336 31.700 -0.671 0.000 0.788 551 E N -1.440 118.781 120.200 0.035 0.000 2.208 551 E HA -0.025 4.324 4.350 -0.002 0.000 0.193 551 E C 2.250 178.923 176.600 0.121 0.000 0.988 551 E CA 1.008 57.506 56.400 0.163 0.000 0.828 551 E CB -0.744 29.062 29.700 0.177 0.000 0.763 551 E HN 0.269 nan 8.360 nan 0.000 0.478 552 G N 0.835 109.701 108.800 0.110 0.000 2.394 552 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.214 552 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.214 552 G C 1.352 176.342 174.900 0.151 0.000 1.176 552 G CA 0.289 45.456 45.100 0.111 0.000 0.786 552 G HN 0.276 nan 8.290 nan 0.000 0.533 553 F N 2.438 122.404 119.950 0.027 0.000 2.063 553 F HA -0.192 4.333 4.527 -0.003 0.000 0.298 553 F C 2.881 178.700 175.800 0.032 0.000 1.109 553 F CA 2.105 60.122 58.000 0.028 0.000 1.212 553 F CB -0.184 38.781 39.000 -0.059 0.000 0.973 553 F HN 0.247 nan 8.300 nan 0.000 0.480 554 A N 0.399 123.190 122.820 -0.048 0.000 1.892 554 A HA -0.299 4.020 4.320 -0.002 0.000 0.218 554 A C 2.273 179.801 177.584 -0.094 0.000 1.188 554 A CA 2.139 54.114 52.037 -0.103 0.000 0.631 554 A CB -1.041 18.022 19.000 0.104 0.000 0.822 554 A HN 0.556 nan 8.150 nan 0.000 0.447 555 R N -0.692 119.803 120.500 -0.009 0.000 2.073 555 R HA -0.101 4.237 4.340 -0.002 0.000 0.234 555 R C 2.399 178.707 176.300 0.012 0.000 1.134 555 R CA 1.497 57.606 56.100 0.015 0.000 0.952 555 R CB -0.450 29.877 30.300 0.045 0.000 0.850 555 R HN 0.474 nan 8.270 nan 0.000 0.433 556 A N -0.013 122.824 122.820 0.029 0.000 1.940 556 A HA -0.137 4.181 4.320 -0.002 0.000 0.219 556 A C 2.250 179.893 177.584 0.099 0.000 1.176 556 A CA 1.718 53.819 52.037 0.108 0.000 0.631 556 A CB -0.566 18.576 19.000 0.236 0.000 0.814 556 A HN 0.240 nan 8.150 nan 0.000 0.446 557 V N -0.239 119.604 119.914 -0.117 0.000 2.358 557 V HA -0.198 3.920 4.120 -0.002 0.000 0.246 557 V C 2.654 178.719 176.094 -0.048 0.000 1.047 557 V CA 2.286 64.478 62.300 -0.181 0.000 1.035 557 V CB -0.716 30.843 31.823 -0.440 0.000 0.658 557 V HN 0.619 nan 8.190 nan 0.000 0.452 558 R N 0.844 121.317 120.500 -0.044 0.000 2.148 558 R HA -0.054 4.285 4.340 -0.002 0.000 0.227 558 R C 1.748 178.065 176.300 0.028 0.000 1.103 558 R CA 1.726 57.821 56.100 -0.009 0.000 0.983 558 R CB -0.695 29.603 30.300 -0.004 0.000 0.874 558 R HN 0.698 nan 8.270 nan 0.000 0.451 559 N N -1.028 117.702 118.700 0.049 0.000 2.395 559 N HA -0.089 4.650 4.740 -0.002 0.000 0.175 559 N C -0.140 175.413 175.510 0.071 0.000 1.029 559 N CA -0.020 53.061 53.050 0.052 0.000 0.897 559 N CB -0.084 38.430 38.487 0.045 0.000 0.991 559 N HN 0.184 nan 8.380 nan 0.000 0.441 560 H N 2.300 121.391 119.070 0.035 0.000 3.145 560 H HA -0.009 4.546 4.556 -0.003 0.000 0.288 560 H C -1.613 173.730 175.328 0.024 0.000 0.969 560 H CA -0.871 55.208 56.048 0.052 0.000 1.444 560 H CB 1.054 30.881 29.762 0.107 0.000 1.500 560 H HN 0.159 nan 8.280 nan 0.000 0.552 561 P HA -0.053 nan 4.420 nan 0.000 0.212 561 P C 0.677 178.026 177.300 0.081 0.000 1.180 561 P CA 0.832 63.927 63.100 -0.008 0.000 0.906 561 P CB -0.094 31.559 31.700 -0.078 0.000 0.782 562 G N -0.240 108.634 108.800 0.123 0.000 2.683 562 G HA2 0.277 4.235 3.960 -0.002 0.000 0.260 562 G HA3 0.277 4.235 3.960 -0.002 0.000 0.260 562 G C -0.677 174.337 174.900 0.191 0.000 1.238 562 G CA -0.388 44.806 45.100 0.157 0.000 0.934 562 G HN 0.221 nan 8.290 nan 0.000 0.534 563 L N -0.411 120.866 121.223 0.090 0.000 2.367 563 L HA 0.472 4.811 4.340 -0.002 0.000 0.275 563 L C -0.032 176.827 176.870 -0.017 0.000 1.129 563 L CA -0.051 54.801 54.840 0.020 0.000 0.839 563 L CB 0.518 42.576 42.059 -0.001 0.000 1.133 563 L HN 0.327 nan 8.230 nan 0.000 0.453 564 L N 5.523 126.690 121.223 -0.094 0.000 2.352 564 L HA 0.564 4.903 4.340 -0.002 0.000 0.269 564 L C -0.496 176.303 176.870 -0.118 0.000 1.034 564 L CA -0.658 54.108 54.840 -0.124 0.000 0.806 564 L CB 1.446 43.398 42.059 -0.177 0.000 1.244 564 L HN 0.576 nan 8.230 nan 0.000 0.447 565 L N 1.639 122.828 121.223 -0.057 0.000 2.333 565 L HA 0.639 4.977 4.340 -0.002 0.000 0.263 565 L C -0.703 176.161 176.870 -0.011 0.000 1.014 565 L CA -0.541 54.265 54.840 -0.057 0.000 0.820 565 L CB 2.267 44.314 42.059 -0.021 0.000 1.352 565 L HN 0.565 nan 8.230 nan 0.000 0.421 566 M N 1.783 121.381 119.600 -0.003 0.000 2.253 566 M HA 0.343 4.822 4.480 -0.002 0.000 0.314 566 M C -1.404 174.899 176.300 0.005 0.000 1.019 566 M CA -0.563 54.779 55.300 0.069 0.000 0.932 566 M CB 1.853 34.584 32.600 0.218 0.000 1.606 566 M HN 0.545 nan 8.290 nan 0.000 0.430 567 D N 2.601 122.966 120.400 -0.058 0.000 2.343 567 D HA 0.148 4.786 4.640 -0.002 0.000 0.255 567 D C 0.783 177.050 176.300 -0.056 0.000 1.187 567 D CA 0.179 54.121 54.000 -0.096 0.000 0.875 567 D CB 1.216 41.895 40.800 -0.202 0.000 1.136 567 D HN 0.692 nan 8.370 nan 0.000 0.469 568 T N -0.543 113.983 114.554 -0.047 0.000 3.069 568 T HA 0.029 4.377 4.350 -0.002 0.000 0.252 568 T C 1.514 176.181 174.700 -0.056 0.000 1.053 568 T CA -0.004 62.069 62.100 -0.044 0.000 0.964 568 T CB -0.124 68.716 68.868 -0.046 0.000 1.005 568 T HN 0.295 nan 8.240 nan 0.000 0.532 569 T N 1.968 116.486 114.554 -0.060 0.000 2.699 569 T HA -0.062 4.287 4.350 -0.002 0.000 0.268 569 T C 1.001 175.704 174.700 0.005 0.000 1.036 569 T CA 1.255 63.238 62.100 -0.195 0.000 1.147 569 T CB -0.545 68.105 68.868 -0.363 0.000 0.862 569 T HN 0.384 nan 8.240 nan 0.000 0.446 570 F N 0.880 120.797 119.950 -0.056 0.000 2.699 570 F HA 0.208 4.733 4.527 -0.003 0.000 0.298 570 F C 2.191 178.073 175.800 0.135 0.000 1.154 570 F CA 0.121 58.183 58.000 0.103 0.000 1.457 570 F CB -0.215 38.833 39.000 0.081 0.000 1.106 570 F HN 0.039 nan 8.300 nan 0.000 0.585 571 R N -0.498 120.051 120.500 0.082 0.000 4.512 571 R HA 0.026 4.364 4.340 -0.002 0.000 0.113 571 R C 1.537 177.593 176.300 -0.406 0.000 1.445 571 R CA 0.358 56.339 56.100 -0.199 0.000 1.001 571 R CB -0.823 29.444 30.300 -0.055 0.000 1.175 571 R HN -0.091 nan 8.270 nan 0.000 0.408 572 D N 1.336 121.614 120.400 -0.203 0.000 2.190 572 D HA -0.091 4.548 4.640 -0.002 0.000 0.200 572 D C 1.521 177.716 176.300 -0.175 0.000 0.992 572 D CA 1.608 55.520 54.000 -0.147 0.000 0.854 572 D CB -0.001 40.779 40.800 -0.034 0.000 0.936 572 D HN 0.429 nan 8.370 nan 0.000 0.462 573 A N 0.559 123.254 122.820 -0.210 0.000 1.845 573 A HA -0.203 4.116 4.320 -0.002 0.000 0.215 573 A C 2.111 179.583 177.584 -0.186 0.000 1.195 573 A CA 1.969 53.889 52.037 -0.195 0.000 0.616 573 A CB -1.119 17.746 19.000 -0.226 0.000 0.832 573 A HN 0.613 nan 8.150 nan 0.000 0.443 574 H N -1.338 117.609 119.070 -0.205 0.000 2.502 574 H HA 0.021 4.575 4.556 -0.003 0.000 0.283 574 H C 1.853 177.087 175.328 -0.158 0.000 1.015 574 H CA 1.132 57.052 56.048 -0.214 0.000 1.298 574 H CB -0.437 29.151 29.762 -0.290 0.000 1.411 574 H HN 0.647 nan 8.280 nan 0.000 0.556 575 Q N 1.182 120.721 119.800 -0.434 0.000 2.291 575 Q HA -0.085 4.253 4.340 -0.002 0.000 0.206 575 Q C 1.446 177.384 176.000 -0.103 0.000 0.976 575 Q CA 1.466 57.126 55.803 -0.237 0.000 0.875 575 Q CB 0.320 28.915 28.738 -0.237 0.000 0.927 575 Q HN 0.418 nan 8.270 nan 0.000 0.450 576 S N -0.562 115.089 115.700 -0.083 0.000 2.460 576 S HA 0.130 4.599 4.470 -0.002 0.000 0.226 576 S C 1.657 176.234 174.600 -0.039 0.000 1.057 576 S CA 0.095 58.277 58.200 -0.030 0.000 0.948 576 S CB 0.234 63.445 63.200 0.018 0.000 0.822 576 S HN 0.301 nan 8.310 nan 0.000 0.512 577 L N 0.422 121.613 121.223 -0.054 0.000 2.253 577 L HA 0.309 4.647 4.340 -0.002 0.000 0.205 577 L C 0.781 177.630 176.870 -0.035 0.000 1.078 577 L CA 0.832 55.643 54.840 -0.048 0.000 0.805 577 L CB 0.002 42.025 42.059 -0.060 0.000 0.963 577 L HN 0.197 nan 8.230 nan 0.000 0.459 578 L N -0.373 120.828 121.223 -0.036 0.000 3.168 578 L HA 0.409 4.747 4.340 -0.002 0.000 0.277 578 L C 0.825 177.654 176.870 -0.070 0.000 1.245 578 L CA -0.147 54.677 54.840 -0.027 0.000 1.035 578 L CB 0.543 42.545 42.059 -0.094 0.000 1.399 578 L HN 0.153 nan 8.230 nan 0.000 0.580 579 A N -0.248 122.529 122.820 -0.072 0.000 2.860 579 A HA -0.281 4.038 4.320 -0.002 0.000 0.267 579 A C 1.145 178.653 177.584 -0.126 0.000 1.421 579 A CA 0.969 52.941 52.037 -0.109 0.000 0.831 579 A CB -2.203 16.712 19.000 -0.143 0.000 1.041 579 A HN 0.665 nan 8.150 nan 0.000 0.623 580 T N -3.696 110.834 114.554 -0.040 0.000 6.885 580 T HA -0.283 4.065 4.350 -0.002 0.000 0.286 580 T C 0.819 175.532 174.700 0.021 0.000 2.119 580 T CA 1.993 64.134 62.100 0.068 0.000 3.358 580 T CB -1.025 67.826 68.868 -0.028 0.000 1.764 580 T HN 0.927 nan 8.240 nan 0.000 1.202 581 R N 0.956 121.332 120.500 -0.206 0.000 2.236 581 R HA 0.297 4.636 4.340 -0.002 0.000 0.208 581 R C 0.932 177.027 176.300 -0.342 0.000 1.036 581 R CA 0.107 55.998 56.100 -0.348 0.000 1.001 581 R CB -0.260 29.640 30.300 -0.668 0.000 0.896 581 R HN 0.573 nan 8.270 nan 0.000 0.464 582 V N 2.448 121.933 119.914 -0.715 0.000 2.644 582 V HA -0.102 4.017 4.120 -0.002 0.000 0.305 582 V C 0.776 176.675 176.094 -0.326 0.000 1.053 582 V CA 0.650 62.471 62.300 -0.799 0.000 1.186 582 V CB 0.276 31.412 31.823 -1.145 0.000 0.895 582 V HN 0.262 nan 8.190 nan 0.000 0.490 583 R N 2.890 123.348 120.500 -0.070 0.000 2.598 583 R HA 0.371 4.709 4.340 -0.002 0.000 0.279 583 R C 1.347 177.620 176.300 -0.046 0.000 0.984 583 R CA -0.510 55.551 56.100 -0.065 0.000 0.999 583 R CB 0.681 30.939 30.300 -0.070 0.000 1.114 583 R HN 0.725 nan 8.270 nan 0.000 0.493 584 T N 0.270 114.803 114.554 -0.036 0.000 2.721 584 T HA -0.264 4.084 4.350 -0.002 0.000 0.268 584 T C 1.567 176.279 174.700 0.020 0.000 1.038 584 T CA 2.094 64.194 62.100 -0.000 0.000 1.145 584 T CB -0.466 68.419 68.868 0.029 0.000 0.858 584 T HN 0.662 nan 8.240 nan 0.000 0.459 585 H N 1.570 120.616 119.070 -0.040 0.000 2.289 585 H HA -0.116 4.439 4.556 -0.002 0.000 0.296 585 H C 1.908 177.229 175.328 -0.012 0.000 1.091 585 H CA 2.074 58.113 56.048 -0.016 0.000 1.274 585 H CB -0.301 29.450 29.762 -0.019 0.000 1.364 585 H HN 0.228 nan 8.280 nan 0.000 0.490 586 D N -0.309 120.077 120.400 -0.025 0.000 2.234 586 D HA -0.064 4.575 4.640 -0.002 0.000 0.205 586 D C 2.405 178.600 176.300 -0.175 0.000 0.962 586 D CA 0.660 54.613 54.000 -0.077 0.000 0.855 586 D CB 0.052 40.889 40.800 0.063 0.000 0.951 586 D HN 0.419 nan 8.370 nan 0.000 0.500 587 L N 0.606 121.706 121.223 -0.205 0.000 2.027 587 L HA -0.133 4.205 4.340 -0.002 0.000 0.206 587 L C 2.364 179.144 176.870 -0.149 0.000 1.074 587 L CA 1.103 55.721 54.840 -0.371 0.000 0.745 587 L CB -0.267 41.553 42.059 -0.398 0.000 0.898 587 L HN -0.106 nan 8.230 nan 0.000 0.433 588 K N 0.328 120.681 120.400 -0.078 0.000 2.063 588 K HA -0.178 4.140 4.320 -0.002 0.000 0.208 588 K C 2.104 178.664 176.600 -0.068 0.000 1.048 588 K CA 1.293 57.571 56.287 -0.015 0.000 0.928 588 K CB -0.115 32.370 32.500 -0.025 0.000 0.713 588 K HN 0.183 nan 8.250 nan 0.000 0.442 589 K N 0.272 120.559 120.400 -0.189 0.000 2.160 589 K HA -0.175 4.143 4.320 -0.002 0.000 0.206 589 K C 1.708 178.138 176.600 -0.284 0.000 1.047 589 K CA 1.092 57.247 56.287 -0.220 0.000 0.930 589 K CB -0.082 32.282 32.500 -0.226 0.000 0.720 589 K HN 0.104 nan 8.250 nan 0.000 0.450 590 I N -0.355 120.008 120.570 -0.345 0.000 4.018 590 I HA 0.075 4.243 4.170 -0.002 0.000 0.337 590 I C 1.537 177.760 176.117 0.177 0.000 1.327 590 I CA -0.025 61.111 61.300 -0.274 0.000 1.100 590 I CB 0.254 37.819 38.000 -0.725 0.000 1.025 590 I HN -0.020 nan 8.210 nan 0.000 0.396 591 A N 1.701 124.654 122.820 0.222 0.000 1.865 591 A HA -0.070 4.249 4.320 -0.002 0.000 0.217 591 A C -0.023 177.676 177.584 0.190 0.000 1.191 591 A CA 1.858 54.060 52.037 0.275 0.000 0.623 591 A CB -2.050 17.106 19.000 0.260 0.000 0.826 591 A HN 0.316 nan 8.150 nan 0.000 0.444 592 P HA -0.217 nan 4.420 nan 0.000 0.216 592 P C 1.452 178.885 177.300 0.222 0.000 1.154 592 P CA 1.513 64.719 63.100 0.176 0.000 0.865 592 P CB -0.220 31.573 31.700 0.155 0.000 0.789 593 Y N 0.026 120.382 120.300 0.093 0.000 2.224 593 Y HA -0.197 4.351 4.550 -0.002 0.000 0.289 593 Y C 2.023 177.975 175.900 0.086 0.000 1.146 593 Y CA 1.269 59.417 58.100 0.081 0.000 1.182 593 Y CB -0.757 37.739 38.460 0.060 0.000 0.983 593 Y HN -0.266 nan 8.280 nan 0.000 0.524 594 V N -0.058 119.984 119.914 0.214 0.000 2.379 594 V HA -0.266 3.853 4.120 -0.002 0.000 0.245 594 V C 2.638 178.759 176.094 0.045 0.000 1.044 594 V CA 1.519 63.925 62.300 0.177 0.000 1.036 594 V CB -1.499 30.385 31.823 0.100 0.000 0.664 594 V HN 0.526 nan 8.190 nan 0.000 0.453 595 A N -0.749 122.076 122.820 0.007 0.000 1.883 595 A HA -0.282 4.037 4.320 -0.002 0.000 0.217 595 A C 2.140 179.606 177.584 -0.197 0.000 1.186 595 A CA 2.054 54.035 52.037 -0.094 0.000 0.624 595 A CB -0.814 18.105 19.000 -0.135 0.000 0.822 595 A HN 0.661 nan 8.150 nan 0.000 0.444 596 H N -0.984 117.996 119.070 -0.150 0.000 2.502 596 H HA 0.047 4.601 4.556 -0.003 0.000 0.283 596 H C 1.088 176.224 175.328 -0.321 0.000 1.015 596 H CA 1.331 57.253 56.048 -0.210 0.000 1.298 596 H CB 0.204 29.844 29.762 -0.204 0.000 1.411 596 H HN 0.514 nan 8.280 nan 0.000 0.556 597 N N -0.693 117.781 118.700 -0.376 0.000 2.239 597 N HA 0.007 4.745 4.740 -0.002 0.000 0.208 597 N C -0.111 174.990 175.510 -0.680 0.000 1.200 597 N CA 0.110 52.782 53.050 -0.630 0.000 0.895 597 N CB 0.684 38.503 38.487 -1.113 0.000 1.085 597 N HN 0.117 nan 8.380 nan 0.000 0.500 598 F N 1.363 121.187 119.950 -0.209 0.000 2.908 598 F HA 0.183 4.709 4.527 -0.001 0.000 0.328 598 F C 1.732 177.471 175.800 -0.103 0.000 1.211 598 F CA -0.441 57.468 58.000 -0.152 0.000 1.291 598 F CB 0.391 39.274 39.000 -0.194 0.000 0.962 598 F HN -0.080 nan 8.300 nan 0.000 0.505 599 S N -0.679 115.023 115.700 0.002 0.000 2.419 599 S HA -0.207 4.262 4.470 -0.002 0.000 0.235 599 S C 1.726 176.347 174.600 0.034 0.000 1.019 599 S CA 0.987 59.179 58.200 -0.012 0.000 0.982 599 S CB -0.230 62.924 63.200 -0.076 0.000 0.789 599 S HN 0.441 nan 8.310 nan 0.000 0.490 600 K N 0.141 120.580 120.400 0.066 0.000 2.525 600 K HA 0.200 4.518 4.320 -0.002 0.000 0.192 600 K C -0.446 176.273 176.600 0.198 0.000 1.029 600 K CA -0.195 56.151 56.287 0.098 0.000 1.029 600 K CB -0.218 32.328 32.500 0.077 0.000 0.814 600 K HN 0.278 nan 8.250 nan 0.000 0.503 601 L N 1.198 122.541 121.223 0.199 0.000 2.455 601 L HA -0.027 4.311 4.340 -0.002 0.000 0.272 601 L C 1.116 178.144 176.870 0.263 0.000 1.174 601 L CA 0.401 55.349 54.840 0.181 0.000 0.869 601 L CB -0.108 42.006 42.059 0.092 0.000 1.130 601 L HN 0.054 nan 8.230 nan 0.000 0.474 602 F N 2.588 122.540 119.950 0.004 0.000 2.063 602 F HA -0.218 4.308 4.527 -0.002 0.000 0.298 602 F C 1.265 177.077 175.800 0.020 0.000 1.109 602 F CA 1.566 59.470 58.000 -0.159 0.000 1.212 602 F CB 0.228 39.052 39.000 -0.292 0.000 0.973 602 F HN 0.644 nan 8.300 nan 0.000 0.480 603 S N -0.964 114.805 115.700 0.115 0.000 2.703 603 S HA 0.466 4.934 4.470 -0.002 0.000 0.273 603 S C -0.928 173.710 174.600 0.062 0.000 1.178 603 S CA -0.733 57.481 58.200 0.024 0.000 0.838 603 S CB 1.581 64.802 63.200 0.035 0.000 1.178 603 S HN 0.371 nan 8.310 nan 0.000 0.494 604 M N 1.558 121.160 119.600 0.004 0.000 2.149 604 M HA 0.462 4.941 4.480 -0.002 0.000 0.273 604 M C -1.337 174.873 176.300 -0.151 0.000 0.972 604 M CA -0.099 55.125 55.300 -0.128 0.000 0.984 604 M CB 1.734 34.182 32.600 -0.253 0.000 1.699 604 M HN 0.881 nan 8.290 nan 0.000 0.462 605 E N 3.482 123.629 120.200 -0.088 0.000 2.180 605 E HA 0.173 4.521 4.350 -0.002 0.000 0.283 605 E C -0.499 176.072 176.600 -0.048 0.000 1.061 605 E CA 0.038 56.406 56.400 -0.053 0.000 0.861 605 E CB 0.532 30.218 29.700 -0.023 0.000 1.056 605 E HN 0.850 nan 8.360 nan 0.000 0.407 606 N N 3.633 122.310 118.700 -0.038 0.000 2.217 606 N HA 0.142 4.881 4.740 -0.002 0.000 0.239 606 N C -1.236 174.426 175.510 0.253 0.000 1.330 606 N CA -0.557 52.549 53.050 0.093 0.000 0.838 606 N CB 0.139 38.589 38.487 -0.062 0.000 1.287 606 N HN 0.349 nan 8.380 nan 0.000 0.498 607 W N 0.022 121.288 121.300 -0.057 0.000 3.005 607 W HA 0.646 5.305 4.660 -0.002 0.000 0.343 607 W C 0.278 176.787 176.519 -0.017 0.000 1.243 607 W CA 0.726 58.054 57.345 -0.028 0.000 1.186 607 W CB 1.010 30.447 29.460 -0.039 0.000 1.453 607 W HN 0.431 nan 8.180 nan 0.000 0.575 608 G N 1.107 109.691 108.800 -0.360 0.000 2.681 608 G HA2 0.388 4.346 3.960 -0.002 0.000 0.220 608 G HA3 0.388 4.346 3.960 -0.002 0.000 0.220 608 G C 0.695 175.486 174.900 -0.181 0.000 1.353 608 G CA 0.904 45.834 45.100 -0.284 0.000 0.872 608 G HN 2.308 nan 8.290 nan 0.000 0.557 609 G N -0.960 107.786 108.800 -0.089 0.000 2.651 609 G HA2 0.117 4.076 3.960 -0.002 0.000 0.315 609 G HA3 0.117 4.076 3.960 -0.002 0.000 0.315 609 G C 1.622 176.495 174.900 -0.045 0.000 1.258 609 G CA 2.729 47.808 45.100 -0.035 0.000 1.002 609 G HN 2.591 nan 8.290 nan 0.000 0.551 610 A N -0.596 122.203 122.820 -0.035 0.000 2.238 610 A HA 0.410 4.728 4.320 -0.002 0.000 0.210 610 A C 2.474 180.018 177.584 -0.067 0.000 1.179 610 A CA 2.117 54.147 52.037 -0.013 0.000 0.827 610 A CB -0.676 18.341 19.000 0.029 0.000 0.856 610 A HN 1.966 nan 8.150 nan 0.000 0.488 611 T N -2.421 112.068 114.554 -0.110 0.000 2.684 611 T HA -0.250 4.099 4.350 -0.002 0.000 0.267 611 T C 1.705 176.292 174.700 -0.187 0.000 1.036 611 T CA 1.629 63.658 62.100 -0.117 0.000 1.148 611 T CB -0.681 68.126 68.868 -0.101 0.000 0.863 611 T HN 0.293 nan 8.240 nan 0.000 0.436 612 F N 2.860 122.553 119.950 -0.429 0.000 2.043 612 F HA -0.158 4.367 4.527 -0.003 0.000 0.297 612 F C 2.379 177.929 175.800 -0.417 0.000 1.121 612 F CA 2.196 59.916 58.000 -0.467 0.000 1.199 612 F CB -0.535 38.145 39.000 -0.532 0.000 0.968 612 F HN 0.154 nan 8.300 nan 0.000 0.478 613 D N 0.178 120.465 120.400 -0.188 0.000 2.103 613 D HA -0.196 4.443 4.640 -0.002 0.000 0.190 613 D C 2.271 178.337 176.300 -0.391 0.000 0.997 613 D CA 2.549 56.266 54.000 -0.472 0.000 0.833 613 D CB -0.584 40.052 40.800 -0.274 0.000 0.961 613 D HN 0.268 nan 8.370 nan 0.000 0.447 614 V N -0.949 118.834 119.914 -0.218 0.000 2.719 614 V HA 0.185 4.304 4.120 -0.002 0.000 0.252 614 V C 2.396 178.341 176.094 -0.248 0.000 1.065 614 V CA 1.468 63.679 62.300 -0.148 0.000 1.086 614 V CB -0.866 31.011 31.823 0.090 0.000 0.700 614 V HN 0.227 nan 8.190 nan 0.000 0.467 615 A N 0.112 122.757 122.820 -0.292 0.000 1.978 615 A HA -0.159 4.160 4.320 -0.002 0.000 0.220 615 A C 2.253 179.544 177.584 -0.488 0.000 1.170 615 A CA 2.619 54.455 52.037 -0.334 0.000 0.636 615 A CB -0.467 18.343 19.000 -0.316 0.000 0.810 615 A HN 0.622 nan 8.150 nan 0.000 0.448 616 M N -2.381 116.876 119.600 -0.573 0.000 2.545 616 M HA 0.139 4.618 4.480 -0.002 0.000 0.264 616 M C 2.132 178.117 176.300 -0.525 0.000 1.155 616 M CA 0.962 55.842 55.300 -0.700 0.000 1.162 616 M CB 0.238 32.473 32.600 -0.608 0.000 1.330 616 M HN 0.440 nan 8.290 nan 0.000 0.479 617 R N -0.546 119.624 120.500 -0.550 0.000 2.066 617 R HA 0.010 4.349 4.340 -0.002 0.000 0.224 617 R C 1.016 176.740 176.300 -0.961 0.000 1.122 617 R CA 1.790 57.475 56.100 -0.691 0.000 0.974 617 R CB -0.023 29.784 30.300 -0.822 0.000 0.871 617 R HN 0.340 nan 8.270 nan 0.000 0.435 618 F N -1.467 118.180 119.950 -0.505 0.000 2.712 618 F HA 0.205 4.731 4.527 -0.003 0.000 0.297 618 F C 1.151 176.589 175.800 -0.603 0.000 1.114 618 F CA -0.491 57.206 58.000 -0.505 0.000 1.305 618 F CB 0.554 39.398 39.000 -0.260 0.000 1.086 618 F HN -0.019 nan 8.300 nan 0.000 0.599 619 L N -1.353 119.603 121.223 -0.445 0.000 2.515 619 L HA 0.175 4.513 4.340 -0.002 0.000 0.223 619 L C -0.010 176.746 176.870 -0.191 0.000 1.079 619 L CA 0.249 54.933 54.840 -0.260 0.000 0.857 619 L CB -1.327 40.586 42.059 -0.243 0.000 1.050 619 L HN 0.231 nan 8.230 nan 0.000 0.476 620 Y N -0.212 120.047 120.300 -0.068 0.000 3.491 620 Y HA -0.288 4.260 4.550 -0.003 0.000 0.215 620 Y C 0.512 176.448 175.900 0.061 0.000 1.219 620 Y CA 0.141 58.274 58.100 0.055 0.000 1.485 620 Y CB -2.479 36.163 38.460 0.303 0.000 1.450 620 Y HN 0.312 nan 8.280 nan 0.000 0.603 621 E N -0.276 119.829 120.200 -0.158 0.000 2.202 621 E HA 0.434 4.782 4.350 -0.002 0.000 0.272 621 E C -0.379 176.030 176.600 -0.318 0.000 0.951 621 E CA -0.945 55.392 56.400 -0.105 0.000 0.813 621 E CB 1.939 31.565 29.700 -0.124 0.000 1.151 621 E HN 0.337 nan 8.360 nan 0.000 0.398 622 C N 4.219 123.491 119.300 -0.047 0.000 2.482 622 C HA 0.219 4.677 4.460 -0.002 0.000 0.378 622 C C -1.364 173.612 174.990 -0.022 0.000 1.284 622 C CA -1.763 57.245 59.018 -0.017 0.000 1.826 622 C CB -0.309 27.614 27.740 0.305 0.000 2.473 622 C HN 0.594 nan 8.230 nan 0.000 0.562 623 P HA -0.050 nan 4.420 nan 0.000 0.219 623 P C 0.762 178.189 177.300 0.212 0.000 1.146 623 P CA 1.667 64.686 63.100 -0.134 0.000 0.808 623 P CB 0.012 31.244 31.700 -0.780 0.000 0.779 624 W N -0.594 120.851 121.300 0.240 0.000 2.453 624 W HA 0.066 4.724 4.660 -0.003 0.000 0.289 624 W C 2.649 179.200 176.519 0.054 0.000 1.215 624 W CA 0.284 57.728 57.345 0.165 0.000 1.297 624 W CB -0.825 28.729 29.460 0.156 0.000 1.113 624 W HN -0.188 nan 8.180 nan 0.000 0.551 625 R N 0.859 121.538 120.500 0.299 0.000 2.096 625 R HA -0.132 4.207 4.340 -0.002 0.000 0.235 625 R C 2.286 178.665 176.300 0.132 0.000 1.127 625 R CA 1.628 57.840 56.100 0.188 0.000 0.968 625 R CB -0.405 29.997 30.300 0.171 0.000 0.861 625 R HN 0.061 nan 8.270 nan 0.000 0.440 626 R N -0.061 120.516 120.500 0.128 0.000 2.091 626 R HA -0.169 4.169 4.340 -0.002 0.000 0.238 626 R C 1.956 178.302 176.300 0.078 0.000 1.136 626 R CA 1.667 57.832 56.100 0.109 0.000 0.959 626 R CB -0.418 29.967 30.300 0.142 0.000 0.856 626 R HN 0.217 nan 8.270 nan 0.000 0.437 627 L N 1.633 122.842 121.223 -0.024 0.000 1.976 627 L HA -0.236 4.103 4.340 -0.002 0.000 0.209 627 L C 2.475 179.362 176.870 0.028 0.000 1.071 627 L CA 2.038 56.781 54.840 -0.161 0.000 0.746 627 L CB -0.831 40.882 42.059 -0.578 0.000 0.890 627 L HN 0.363 nan 8.230 nan 0.000 0.432 628 Q N -1.089 118.729 119.800 0.030 0.000 2.084 628 Q HA -0.253 4.085 4.340 -0.002 0.000 0.202 628 Q C 1.979 178.016 176.000 0.061 0.000 0.978 628 Q CA 1.935 57.759 55.803 0.034 0.000 0.844 628 Q CB -0.689 28.071 28.738 0.036 0.000 0.898 628 Q HN 0.622 nan 8.270 nan 0.000 0.426 629 E N 0.616 120.867 120.200 0.084 0.000 2.077 629 E HA -0.153 4.195 4.350 -0.002 0.000 0.193 629 E C 1.929 178.604 176.600 0.126 0.000 0.989 629 E CA 0.950 57.404 56.400 0.090 0.000 0.800 629 E CB 0.034 29.787 29.700 0.088 0.000 0.746 629 E HN 0.155 nan 8.360 nan 0.000 0.452 630 L N 0.480 121.814 121.223 0.185 0.000 2.017 630 L HA -0.159 4.179 4.340 -0.002 0.000 0.208 630 L C 2.354 179.442 176.870 0.362 0.000 1.073 630 L CA 1.528 56.547 54.840 0.300 0.000 0.745 630 L CB -0.631 41.624 42.059 0.326 0.000 0.894 630 L HN -0.022 nan 8.230 nan 0.000 0.432 631 R N 0.242 120.899 120.500 0.262 0.000 2.105 631 R HA -0.172 4.167 4.340 -0.002 0.000 0.239 631 R C 2.110 178.360 176.300 -0.084 0.000 1.135 631 R CA 1.532 57.569 56.100 -0.105 0.000 0.967 631 R CB -0.289 29.892 30.300 -0.198 0.000 0.861 631 R HN 0.460 nan 8.270 nan 0.000 0.442 632 E N -0.588 119.611 120.200 -0.002 0.000 2.274 632 E HA -0.102 4.246 4.350 -0.002 0.000 0.194 632 E C 1.418 178.027 176.600 0.015 0.000 0.996 632 E CA 0.923 57.319 56.400 -0.006 0.000 0.840 632 E CB 0.081 29.789 29.700 0.013 0.000 0.772 632 E HN 0.374 nan 8.360 nan 0.000 0.491 633 L N 0.139 121.399 121.223 0.062 0.000 2.590 633 L HA 0.223 4.561 4.340 -0.002 0.000 0.227 633 L C 0.480 177.392 176.870 0.071 0.000 1.099 633 L CA 0.119 55.005 54.840 0.075 0.000 0.872 633 L CB 0.639 42.765 42.059 0.111 0.000 1.088 633 L HN -0.014 nan 8.230 nan 0.000 0.479 634 I N 0.890 121.506 120.570 0.077 0.000 2.563 634 I HA 0.201 4.370 4.170 -0.002 0.000 0.276 634 I C -1.884 174.181 176.117 -0.087 0.000 1.074 634 I CA -1.136 60.198 61.300 0.056 0.000 1.124 634 I CB 2.123 40.272 38.000 0.249 0.000 1.225 634 I HN -0.199 nan 8.210 nan 0.000 0.482 635 P HA 0.009 nan 4.420 nan 0.000 0.234 635 P C 0.671 177.878 177.300 -0.155 0.000 1.175 635 P CA 0.944 63.947 63.100 -0.162 0.000 0.801 635 P CB 0.207 31.831 31.700 -0.127 0.000 0.891 636 N N 0.591 119.222 118.700 -0.116 0.000 2.387 636 N HA 0.013 4.751 4.740 -0.002 0.000 0.176 636 N C 0.675 176.152 175.510 -0.055 0.000 1.022 636 N CA 0.320 53.312 53.050 -0.096 0.000 0.883 636 N CB -0.552 37.871 38.487 -0.107 0.000 1.019 636 N HN 0.171 nan 8.380 nan 0.000 0.435 637 I N 2.034 122.595 120.570 -0.014 0.000 2.353 637 I HA 0.321 4.490 4.170 -0.002 0.000 0.293 637 I C -2.398 173.746 176.117 0.045 0.000 0.992 637 I CA -2.368 58.959 61.300 0.046 0.000 1.268 637 I CB 1.475 39.520 38.000 0.074 0.000 1.387 637 I HN -0.191 nan 8.210 nan 0.000 0.478 638 P HA 0.068 nan 4.420 nan 0.000 0.269 638 P C -0.918 176.477 177.300 0.159 0.000 1.209 638 P CA 0.039 63.077 63.100 -0.104 0.000 0.776 638 P CB 0.301 31.776 31.700 -0.375 0.000 0.876 639 F N 1.896 121.726 119.950 -0.200 0.000 2.410 639 F HA 0.391 4.916 4.527 -0.003 0.000 0.349 639 F C 0.889 176.592 175.800 -0.162 0.000 1.117 639 F CA -0.381 57.524 58.000 -0.159 0.000 1.104 639 F CB 0.905 39.807 39.000 -0.163 0.000 1.122 639 F HN 0.242 nan 8.300 nan 0.000 0.483 640 Q N 4.781 124.601 119.800 0.034 0.000 2.309 640 Q HA 0.636 4.974 4.340 -0.002 0.000 0.264 640 Q C -0.923 175.071 176.000 -0.010 0.000 1.008 640 Q CA -0.750 55.054 55.803 0.002 0.000 0.853 640 Q CB 2.336 31.124 28.738 0.083 0.000 1.314 640 Q HN 0.798 nan 8.270 nan 0.000 0.448 641 M N 3.643 123.217 119.600 -0.044 0.000 2.658 641 M HA 0.476 4.954 4.480 -0.002 0.000 0.295 641 M C -2.111 174.205 176.300 0.026 0.000 1.248 641 M CA -1.086 54.230 55.300 0.028 0.000 0.843 641 M CB 1.893 34.558 32.600 0.107 0.000 1.749 641 M HN 0.694 nan 8.290 nan 0.000 0.464 642 L N 3.578 124.822 121.223 0.035 0.000 2.280 642 L HA 0.564 4.903 4.340 -0.002 0.000 0.287 642 L C -1.907 175.047 176.870 0.141 0.000 1.023 642 L CA -0.379 54.497 54.840 0.060 0.000 0.819 642 L CB 1.343 43.387 42.059 -0.025 0.000 1.212 642 L HN 0.764 nan 8.230 nan 0.000 0.420 643 L N 5.055 126.414 121.223 0.227 0.000 2.280 643 L HA 0.523 4.862 4.340 -0.002 0.000 0.287 643 L C 0.188 177.147 176.870 0.149 0.000 1.023 643 L CA -0.290 54.664 54.840 0.189 0.000 0.819 643 L CB 1.087 43.293 42.059 0.245 0.000 1.212 643 L HN 0.553 nan 8.230 nan 0.000 0.420 644 R N 4.340 124.845 120.500 0.007 0.000 4.559 644 R HA 0.295 4.633 4.340 -0.002 0.000 0.177 644 R C 1.325 177.415 176.300 -0.351 0.000 1.875 644 R CA 0.823 56.730 56.100 -0.322 0.000 1.509 644 R CB -0.833 29.366 30.300 -0.169 0.000 1.395 644 R HN 0.988 nan 8.270 nan 0.000 0.830 645 G N 1.248 109.874 108.800 -0.290 0.000 2.693 645 G HA2 -0.485 3.473 3.960 -0.002 0.000 0.354 645 G HA3 -0.485 3.473 3.960 -0.002 0.000 0.354 645 G C 1.143 175.988 174.900 -0.092 0.000 1.207 645 G CA 0.752 45.755 45.100 -0.163 0.000 0.958 645 G HN 0.560 nan 8.290 nan 0.000 0.560 646 A N 1.086 123.861 122.820 -0.074 0.000 2.172 646 A HA 0.093 4.411 4.320 -0.002 0.000 0.216 646 A C 1.814 179.391 177.584 -0.011 0.000 1.154 646 A CA 2.022 54.049 52.037 -0.017 0.000 0.701 646 A CB -0.445 18.559 19.000 0.006 0.000 0.789 646 A HN 1.127 nan 8.150 nan 0.000 0.465 647 N N -2.045 116.624 118.700 -0.052 0.000 2.238 647 N HA 0.364 5.103 4.740 -0.002 0.000 0.235 647 N C 0.859 176.338 175.510 -0.051 0.000 1.209 647 N CA 0.915 53.970 53.050 0.009 0.000 0.879 647 N CB 0.352 38.778 38.487 -0.102 0.000 1.136 647 N HN 0.466 nan 8.380 nan 0.000 0.517 648 A N 0.828 123.557 122.820 -0.152 0.000 4.725 648 A HA -0.287 4.031 4.320 -0.002 0.000 0.343 648 A C 0.094 177.457 177.584 -0.369 0.000 1.760 648 A CA 1.907 53.749 52.037 -0.325 0.000 0.747 648 A CB -1.746 16.815 19.000 -0.732 0.000 1.450 648 A HN 0.231 nan 8.150 nan 0.000 0.454 649 V N -0.173 119.394 119.914 -0.580 0.000 2.656 649 V HA 0.700 4.818 4.120 -0.002 0.000 0.307 649 V C 0.747 176.661 176.094 -0.299 0.000 1.051 649 V CA 0.585 62.623 62.300 -0.437 0.000 0.893 649 V CB 0.678 32.084 31.823 -0.695 0.000 0.999 649 V HN 2.718 nan 8.190 nan 0.000 0.426 650 G N 3.632 112.290 108.800 -0.236 0.000 2.280 650 G HA2 -0.040 3.919 3.960 -0.002 0.000 0.277 650 G HA3 -0.040 3.919 3.960 -0.002 0.000 0.277 650 G C -0.836 173.733 174.900 -0.551 0.000 1.288 650 G CA 0.190 44.955 45.100 -0.557 0.000 1.075 650 G HN 1.076 nan 8.290 nan 0.000 0.480 651 Y N -1.088 119.205 120.300 -0.013 0.000 2.791 651 Y HA 0.631 5.179 4.550 -0.002 0.000 0.263 651 Y C 0.697 176.538 175.900 -0.098 0.000 1.089 651 Y CA -0.050 58.038 58.100 -0.021 0.000 1.253 651 Y CB 0.477 38.960 38.460 0.038 0.000 1.360 651 Y HN 0.843 nan 8.280 nan 0.000 0.569 652 T N 1.369 115.817 114.554 -0.177 0.000 2.949 652 T HA 0.385 4.733 4.350 -0.002 0.000 0.300 652 T C -1.018 173.299 174.700 -0.638 0.000 0.988 652 T CA -0.774 61.149 62.100 -0.294 0.000 0.993 652 T CB 0.125 68.859 68.868 -0.223 0.000 0.984 652 T HN 0.199 nan 8.240 nan 0.000 0.442 653 N N 4.347 122.833 118.700 -0.356 0.000 2.223 653 N HA 0.108 4.847 4.740 -0.002 0.000 0.271 653 N C -0.884 174.386 175.510 -0.399 0.000 1.315 653 N CA 0.820 53.692 53.050 -0.297 0.000 0.835 653 N CB -0.228 38.161 38.487 -0.164 0.000 1.066 653 N HN 0.518 nan 8.380 nan 0.000 0.486 654 Y N 1.647 121.889 120.300 -0.097 0.000 2.534 654 Y HA 0.491 5.039 4.550 -0.002 0.000 0.329 654 Y C -1.684 174.181 175.900 -0.058 0.000 1.154 654 Y CA -2.689 55.360 58.100 -0.085 0.000 1.192 654 Y CB 0.036 38.433 38.460 -0.105 0.000 1.275 654 Y HN 0.409 nan 8.280 nan 0.000 0.491 655 P HA -0.115 nan 4.420 nan 0.000 0.269 655 P C 0.056 177.399 177.300 0.072 0.000 1.185 655 P CA 0.541 63.677 63.100 0.059 0.000 0.769 655 P CB 0.774 32.502 31.700 0.046 0.000 0.809 656 D N 0.945 121.367 120.400 0.036 0.000 2.144 656 D HA -0.128 4.511 4.640 -0.002 0.000 0.200 656 D C 1.529 177.879 176.300 0.084 0.000 0.978 656 D CA 1.520 55.552 54.000 0.053 0.000 0.833 656 D CB -0.606 40.162 40.800 -0.053 0.000 0.961 656 D HN 0.617 nan 8.370 nan 0.000 0.470 657 N N 0.393 119.104 118.700 0.017 0.000 2.166 657 N HA -0.137 4.602 4.740 -0.002 0.000 0.186 657 N C 1.721 177.315 175.510 0.140 0.000 1.019 657 N CA 1.153 54.233 53.050 0.051 0.000 0.856 657 N CB -0.353 38.137 38.487 0.005 0.000 0.993 657 N HN -0.038 nan 8.380 nan 0.000 0.426 658 V N 0.623 120.602 119.914 0.107 0.000 2.332 658 V HA -0.207 3.911 4.120 -0.002 0.000 0.248 658 V C 2.419 178.604 176.094 0.153 0.000 1.055 658 V CA 1.401 63.758 62.300 0.094 0.000 1.038 658 V CB -0.565 31.263 31.823 0.009 0.000 0.651 658 V HN 0.290 nan 8.190 nan 0.000 0.450 659 V N -1.282 118.735 119.914 0.172 0.000 2.379 659 V HA -0.146 3.973 4.120 -0.002 0.000 0.245 659 V C 2.211 178.437 176.094 0.220 0.000 1.044 659 V CA 1.706 64.110 62.300 0.173 0.000 1.036 659 V CB -0.798 31.114 31.823 0.147 0.000 0.664 659 V HN 0.395 nan 8.190 nan 0.000 0.453 660 F N 0.825 120.812 119.950 0.061 0.000 2.216 660 F HA -0.128 4.397 4.527 -0.002 0.000 0.300 660 F C 2.385 178.221 175.800 0.061 0.000 1.085 660 F CA 2.020 60.045 58.000 0.041 0.000 1.326 660 F CB -0.255 38.755 39.000 0.017 0.000 1.027 660 F HN 0.072 nan 8.300 nan 0.000 0.497 661 K N -0.721 119.835 120.400 0.259 0.000 2.137 661 K HA -0.102 4.216 4.320 -0.002 0.000 0.202 661 K C 2.062 178.787 176.600 0.207 0.000 1.052 661 K CA 0.684 57.079 56.287 0.181 0.000 0.961 661 K CB -0.463 32.121 32.500 0.139 0.000 0.741 661 K HN 0.099 nan 8.250 nan 0.000 0.452 662 F N 1.136 121.163 119.950 0.129 0.000 2.065 662 F HA -0.364 4.162 4.527 -0.002 0.000 0.298 662 F C 2.043 178.008 175.800 0.275 0.000 1.112 662 F CA 1.758 59.886 58.000 0.214 0.000 1.212 662 F CB -0.572 38.503 39.000 0.125 0.000 0.975 662 F HN 0.108 nan 8.300 nan 0.000 0.476 663 C N 0.107 119.592 119.300 0.308 0.000 2.413 663 C HA -0.209 4.249 4.460 -0.002 0.000 0.276 663 C C 2.745 177.786 174.990 0.085 0.000 1.236 663 C CA 1.394 60.501 59.018 0.149 0.000 1.735 663 C CB -1.243 26.360 27.740 -0.228 0.000 2.031 663 C HN 0.605 nan 8.230 nan 0.000 0.474 664 E N 0.520 120.743 120.200 0.037 0.000 2.065 664 E HA -0.247 4.102 4.350 -0.002 0.000 0.201 664 E C 2.005 178.637 176.600 0.052 0.000 1.016 664 E CA 2.184 58.603 56.400 0.031 0.000 0.818 664 E CB -0.020 29.702 29.700 0.036 0.000 0.749 664 E HN 0.479 nan 8.360 nan 0.000 0.453 665 V N 1.022 120.966 119.914 0.049 0.000 2.283 665 V HA -0.217 3.902 4.120 -0.002 0.000 0.243 665 V C 2.507 178.665 176.094 0.106 0.000 1.039 665 V CA 1.618 63.918 62.300 -0.001 0.000 1.016 665 V CB -0.959 30.777 31.823 -0.145 0.000 0.650 665 V HN 0.460 nan 8.190 nan 0.000 0.449 666 A N -0.090 122.874 122.820 0.241 0.000 1.915 666 A HA -0.349 3.970 4.320 -0.002 0.000 0.220 666 A C 2.360 180.051 177.584 0.177 0.000 1.198 666 A CA 2.548 54.742 52.037 0.261 0.000 0.647 666 A CB -0.639 18.588 19.000 0.378 0.000 0.825 666 A HN 0.405 nan 8.150 nan 0.000 0.456 667 K N -0.362 120.209 120.400 0.284 0.000 2.026 667 K HA -0.162 4.157 4.320 -0.002 0.000 0.208 667 K C 1.917 178.551 176.600 0.056 0.000 1.048 667 K CA 1.968 58.381 56.287 0.210 0.000 0.929 667 K CB -0.308 32.318 32.500 0.210 0.000 0.713 667 K HN 0.682 nan 8.250 nan 0.000 0.439 668 E N 0.106 120.327 120.200 0.035 0.000 2.204 668 E HA -0.080 4.269 4.350 -0.002 0.000 0.194 668 E C 1.355 177.934 176.600 -0.036 0.000 0.989 668 E CA 0.626 57.018 56.400 -0.013 0.000 0.824 668 E CB 0.056 29.742 29.700 -0.023 0.000 0.756 668 E HN 0.342 nan 8.360 nan 0.000 0.477 669 N N -0.481 118.205 118.700 -0.023 0.000 2.398 669 N HA -0.001 4.737 4.740 -0.002 0.000 0.188 669 N C 0.403 175.855 175.510 -0.098 0.000 1.122 669 N CA 0.649 53.675 53.050 -0.040 0.000 0.866 669 N CB 1.089 39.594 38.487 0.030 0.000 0.970 669 N HN 0.175 nan 8.380 nan 0.000 0.462 670 G N 1.561 110.293 108.800 -0.114 0.000 2.226 670 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.176 670 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.176 670 G C -0.351 174.418 174.900 -0.219 0.000 1.042 670 G CA -0.384 44.594 45.100 -0.203 0.000 0.732 670 G HN 0.139 nan 8.290 nan 0.000 0.494 671 M N 0.996 120.518 119.600 -0.130 0.000 2.264 671 M HA 0.604 5.082 4.480 -0.002 0.000 0.352 671 M C 0.675 176.899 176.300 -0.127 0.000 1.173 671 M CA -0.732 54.479 55.300 -0.148 0.000 1.075 671 M CB 0.861 33.296 32.600 -0.276 0.000 1.621 671 M HN 0.104 nan 8.290 nan 0.000 0.457 672 D N 2.434 122.740 120.400 -0.156 0.000 2.856 672 D HA 0.151 4.789 4.640 -0.002 0.000 0.283 672 D C -0.373 175.895 176.300 -0.054 0.000 1.051 672 D CA 0.745 54.673 54.000 -0.119 0.000 0.965 672 D CB 0.420 41.082 40.800 -0.231 0.000 1.201 672 D HN 0.388 nan 8.370 nan 0.000 0.474 673 V N 2.330 122.174 119.914 -0.115 0.000 2.370 673 V HA 0.266 4.384 4.120 -0.002 0.000 0.283 673 V C -0.821 175.267 176.094 -0.009 0.000 1.023 673 V CA -0.542 61.777 62.300 0.032 0.000 0.857 673 V CB 0.918 32.781 31.823 0.065 0.000 0.985 673 V HN -0.050 nan 8.190 nan 0.000 0.443 674 F N 4.021 124.034 119.950 0.107 0.000 2.334 674 F HA 0.522 5.047 4.527 -0.002 0.000 0.367 674 F C 0.625 176.490 175.800 0.108 0.000 1.115 674 F CA -0.639 57.430 58.000 0.116 0.000 1.116 674 F CB 1.031 40.093 39.000 0.102 0.000 1.230 674 F HN 0.394 nan 8.300 nan 0.000 0.484 675 R N 3.128 123.748 120.500 0.199 0.000 2.242 675 R HA 0.522 4.861 4.340 -0.002 0.000 0.334 675 R C -1.435 174.985 176.300 0.199 0.000 1.071 675 R CA -0.230 55.950 56.100 0.134 0.000 0.922 675 R CB 0.771 31.070 30.300 -0.002 0.000 1.023 675 R HN 0.537 nan 8.270 nan 0.000 0.458 676 V N 7.647 127.680 119.914 0.198 0.000 2.417 676 V HA 0.721 4.839 4.120 -0.002 0.000 0.291 676 V C -1.253 174.988 176.094 0.245 0.000 1.024 676 V CA -0.555 61.869 62.300 0.206 0.000 0.861 676 V CB 0.916 32.814 31.823 0.125 0.000 0.985 676 V HN 0.739 nan 8.190 nan 0.000 0.436 677 F N 3.720 123.692 119.950 0.037 0.000 2.643 677 F HA 0.885 5.411 4.527 -0.003 0.000 0.314 677 F C -1.277 174.559 175.800 0.060 0.000 1.096 677 F CA -1.290 56.736 58.000 0.044 0.000 0.953 677 F CB 1.781 40.803 39.000 0.037 0.000 1.345 677 F HN 0.524 nan 8.300 nan 0.000 0.468 678 D N 0.123 120.458 120.400 -0.108 0.000 2.896 678 D HA 0.323 4.961 4.640 -0.002 0.000 0.241 678 D C 0.507 176.846 176.300 0.064 0.000 1.188 678 D CA -0.055 53.825 54.000 -0.201 0.000 0.879 678 D CB 2.302 43.093 40.800 -0.014 0.000 1.553 678 D HN 0.762 nan 8.370 nan 0.000 0.515 679 S N 3.174 118.895 115.700 0.035 0.000 2.392 679 S HA -0.223 4.246 4.470 -0.002 0.000 0.232 679 S C 1.585 176.283 174.600 0.163 0.000 1.041 679 S CA 0.934 59.244 58.200 0.183 0.000 1.026 679 S CB -0.389 62.896 63.200 0.142 0.000 0.845 679 S HN 0.634 nan 8.310 nan 0.000 0.465 680 L N 0.564 121.878 121.223 0.153 0.000 2.592 680 L HA 0.233 4.571 4.340 -0.002 0.000 0.227 680 L C 0.227 177.232 176.870 0.225 0.000 1.127 680 L CA -0.034 54.910 54.840 0.174 0.000 0.884 680 L CB -0.725 41.420 42.059 0.144 0.000 1.065 680 L HN 0.217 nan 8.230 nan 0.000 0.457 681 N N -0.104 118.726 118.700 0.216 0.000 2.735 681 N HA -0.286 4.453 4.740 -0.002 0.000 0.248 681 N C -0.251 175.387 175.510 0.214 0.000 1.083 681 N CA 0.775 53.950 53.050 0.208 0.000 0.703 681 N CB -1.804 36.826 38.487 0.238 0.000 1.005 681 N HN 0.426 nan 8.380 nan 0.000 0.550 682 Y N 0.644 120.986 120.300 0.070 0.000 2.584 682 Y HA 0.141 4.689 4.550 -0.003 0.000 0.351 682 Y C 1.629 177.546 175.900 0.027 0.000 1.030 682 Y CA -0.489 57.642 58.100 0.051 0.000 1.332 682 Y CB 0.162 38.646 38.460 0.040 0.000 1.148 682 Y HN 0.201 nan 8.280 nan 0.000 0.528 683 L N 8.759 129.848 121.223 -0.222 0.000 2.081 683 L HA -0.124 4.215 4.340 -0.002 0.000 0.212 683 L C -1.126 175.569 176.870 -0.291 0.000 1.080 683 L CA 1.848 56.559 54.840 -0.216 0.000 0.754 683 L CB -0.938 41.019 42.059 -0.169 0.000 0.893 683 L HN 0.545 nan 8.230 nan 0.000 0.433 684 P HA -0.093 nan 4.420 nan 0.000 0.218 684 P C 1.022 178.230 177.300 -0.154 0.000 1.149 684 P CA 1.218 64.094 63.100 -0.374 0.000 0.817 684 P CB -0.062 31.317 31.700 -0.535 0.000 0.785 685 N N -1.507 117.148 118.700 -0.074 0.000 2.300 685 N HA 0.017 4.755 4.740 -0.002 0.000 0.179 685 N C 1.600 177.118 175.510 0.014 0.000 1.016 685 N CA 1.031 54.133 53.050 0.087 0.000 0.876 685 N CB -0.505 38.125 38.487 0.238 0.000 0.979 685 N HN 0.178 nan 8.380 nan 0.000 0.432 686 M N -0.136 119.454 119.600 -0.016 0.000 2.123 686 M HA 0.000 4.479 4.480 -0.002 0.000 0.263 686 M C 1.877 178.163 176.300 -0.023 0.000 1.069 686 M CA 0.985 56.275 55.300 -0.016 0.000 1.133 686 M CB -0.291 32.304 32.600 -0.008 0.000 1.356 686 M HN 0.021 nan 8.290 nan 0.000 0.415 687 L N 0.142 121.342 121.223 -0.038 0.000 2.081 687 L HA -0.254 4.085 4.340 -0.002 0.000 0.212 687 L C 2.557 179.430 176.870 0.005 0.000 1.080 687 L CA 0.950 55.774 54.840 -0.027 0.000 0.754 687 L CB -0.790 41.246 42.059 -0.039 0.000 0.893 687 L HN 0.311 nan 8.230 nan 0.000 0.433 688 L N 0.126 121.366 121.223 0.027 0.000 2.012 688 L HA -0.124 4.215 4.340 -0.002 0.000 0.210 688 L C 2.394 179.278 176.870 0.023 0.000 1.073 688 L CA 2.232 57.127 54.840 0.092 0.000 0.748 688 L CB -0.971 41.150 42.059 0.103 0.000 0.891 688 L HN 0.150 nan 8.230 nan 0.000 0.431 689 G N -0.863 107.926 108.800 -0.018 0.000 2.421 689 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.216 689 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.216 689 G C 1.558 176.388 174.900 -0.116 0.000 1.171 689 G CA 1.111 46.175 45.100 -0.060 0.000 0.775 689 G HN 0.411 nan 8.290 nan 0.000 0.543 690 M N 0.209 119.764 119.600 -0.074 0.000 2.108 690 M HA -0.054 4.425 4.480 -0.002 0.000 0.261 690 M C 2.483 178.695 176.300 -0.147 0.000 1.066 690 M CA 1.526 56.776 55.300 -0.082 0.000 1.107 690 M CB -0.290 32.280 32.600 -0.049 0.000 1.356 690 M HN 0.301 nan 8.290 nan 0.000 0.406 691 E N 0.205 120.316 120.200 -0.147 0.000 2.031 691 E HA -0.171 4.178 4.350 -0.002 0.000 0.193 691 E C 2.171 178.424 176.600 -0.579 0.000 0.994 691 E CA 1.268 57.561 56.400 -0.178 0.000 0.800 691 E CB -0.216 29.538 29.700 0.089 0.000 0.752 691 E HN 0.522 nan 8.360 nan 0.000 0.447 692 A N 1.584 123.785 122.820 -1.031 0.000 1.917 692 A HA -0.226 4.093 4.320 -0.002 0.000 0.219 692 A C 2.372 179.525 177.584 -0.719 0.000 1.182 692 A CA 2.088 53.291 52.037 -1.391 0.000 0.633 692 A CB -0.754 17.684 19.000 -0.937 0.000 0.819 692 A HN 0.319 nan 8.150 nan 0.000 0.448 693 A N -0.658 121.828 122.820 -0.556 0.000 1.855 693 A HA 0.175 4.493 4.320 -0.002 0.000 0.215 693 A C 2.492 179.803 177.584 -0.456 0.000 1.191 693 A CA 1.966 53.593 52.037 -0.685 0.000 0.613 693 A CB -1.549 17.140 19.000 -0.518 0.000 0.829 693 A HN 0.781 nan 8.150 nan 0.000 0.442 694 G N -0.992 107.654 108.800 -0.256 0.000 2.514 694 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.217 694 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.217 694 G C 1.863 176.707 174.900 -0.093 0.000 1.198 694 G CA 1.395 46.437 45.100 -0.097 0.000 0.780 694 G HN 0.502 nan 8.290 nan 0.000 0.565 695 S N 0.458 116.080 115.700 -0.131 0.000 2.547 695 S HA 0.232 4.701 4.470 -0.002 0.000 0.235 695 S C 2.129 176.687 174.600 -0.070 0.000 0.980 695 S CA 0.925 59.091 58.200 -0.058 0.000 0.941 695 S CB -0.209 62.996 63.200 0.009 0.000 0.763 695 S HN 0.570 nan 8.310 nan 0.000 0.532 696 A N 0.415 123.144 122.820 -0.151 0.000 2.307 696 A HA 0.584 4.903 4.320 -0.002 0.000 0.218 696 A C 1.092 178.631 177.584 -0.076 0.000 1.228 696 A CA 0.434 52.395 52.037 -0.126 0.000 0.857 696 A CB -0.815 18.052 19.000 -0.221 0.000 0.897 696 A HN 0.872 nan 8.150 nan 0.000 0.495 697 G N -1.590 107.175 108.800 -0.057 0.000 2.846 697 G HA2 0.438 4.396 3.960 -0.002 0.000 0.660 697 G HA3 0.438 4.396 3.960 -0.002 0.000 0.660 697 G C 0.731 175.627 174.900 -0.007 0.000 1.464 697 G CA -0.161 44.926 45.100 -0.022 0.000 0.891 697 G HN 2.505 nan 8.290 nan 0.000 0.552 698 G N -2.252 106.554 108.800 0.012 0.000 2.721 698 G HA2 0.322 4.281 3.960 -0.002 0.000 0.686 698 G HA3 0.322 4.281 3.960 -0.002 0.000 0.686 698 G C -0.101 174.857 174.900 0.097 0.000 1.236 698 G CA 0.108 45.264 45.100 0.092 0.000 0.786 698 G HN 2.073 nan 8.290 nan 0.000 0.616 699 V N 1.219 121.183 119.914 0.084 0.000 2.585 699 V HA 0.331 4.450 4.120 -0.002 0.000 0.296 699 V C 1.214 177.506 176.094 0.330 0.000 1.035 699 V CA -0.371 61.990 62.300 0.102 0.000 1.084 699 V CB 1.290 33.176 31.823 0.106 0.000 0.953 699 V HN 0.894 nan 8.190 nan 0.000 0.483 700 V N 4.797 125.003 119.914 0.488 0.000 2.364 700 V HA 0.313 4.431 4.120 -0.002 0.000 0.272 700 V C 0.279 176.527 176.094 0.256 0.000 1.036 700 V CA -0.264 62.226 62.300 0.317 0.000 0.880 700 V CB 1.124 33.058 31.823 0.184 0.000 0.991 700 V HN 1.019 nan 8.190 nan 0.000 0.460 701 E N 4.458 124.788 120.200 0.217 0.000 2.346 701 E HA 0.598 4.947 4.350 -0.002 0.000 0.239 701 E C -0.096 176.566 176.600 0.104 0.000 0.943 701 E CA -0.626 55.872 56.400 0.164 0.000 0.751 701 E CB 1.024 30.837 29.700 0.187 0.000 1.241 701 E HN 0.818 nan 8.360 nan 0.000 0.423 702 A N 3.365 126.224 122.820 0.064 0.000 2.451 702 A HA 0.525 4.844 4.320 -0.002 0.000 0.266 702 A C 0.124 177.741 177.584 0.054 0.000 1.119 702 A CA 0.137 52.205 52.037 0.051 0.000 0.786 702 A CB 0.403 19.409 19.000 0.010 0.000 1.061 702 A HN 0.629 nan 8.150 nan 0.000 0.503 703 A N 4.061 126.938 122.820 0.094 0.000 2.258 703 A HA 0.604 4.923 4.320 -0.002 0.000 0.316 703 A C -0.059 177.613 177.584 0.147 0.000 1.279 703 A CA -0.465 51.628 52.037 0.094 0.000 0.876 703 A CB 0.053 19.100 19.000 0.078 0.000 1.170 703 A HN 0.768 nan 8.150 nan 0.000 0.520 704 I N 2.455 123.105 120.570 0.133 0.000 2.416 704 I HA 0.097 4.266 4.170 -0.002 0.000 0.288 704 I C 0.487 176.753 176.117 0.248 0.000 1.051 704 I CA 0.107 61.526 61.300 0.199 0.000 1.375 704 I CB 1.338 39.472 38.000 0.224 0.000 1.407 704 I HN 0.542 nan 8.210 nan 0.000 0.516 705 S N 5.786 121.657 115.700 0.286 0.000 2.545 705 S HA 0.227 4.696 4.470 -0.002 0.000 0.275 705 S C -0.666 174.162 174.600 0.380 0.000 1.299 705 S CA -0.252 58.113 58.200 0.275 0.000 1.048 705 S CB 0.527 63.876 63.200 0.249 0.000 0.938 705 S HN 0.385 nan 8.310 nan 0.000 0.496 706 Y N 2.447 122.845 120.300 0.163 0.000 2.335 706 Y HA 0.509 5.058 4.550 -0.002 0.000 0.338 706 Y C 0.161 176.116 175.900 0.092 0.000 0.977 706 Y CA -0.121 58.069 58.100 0.149 0.000 1.114 706 Y CB 0.963 39.413 38.460 -0.017 0.000 1.182 706 Y HN 0.617 nan 8.280 nan 0.000 0.463 707 T N 3.585 117.897 114.554 -0.404 0.000 2.831 707 T HA 0.712 5.061 4.350 -0.002 0.000 0.287 707 T C -0.020 174.394 174.700 -0.477 0.000 1.070 707 T CA 0.053 61.902 62.100 -0.418 0.000 1.010 707 T CB 1.230 69.850 68.868 -0.415 0.000 1.264 707 T HN 1.180 nan 8.240 nan 0.000 0.532 708 G N 1.230 109.920 108.800 -0.184 0.000 2.601 708 G HA2 -0.109 3.849 3.960 -0.002 0.000 0.261 708 G HA3 -0.109 3.849 3.960 -0.002 0.000 0.261 708 G C -0.977 173.888 174.900 -0.058 0.000 1.289 708 G CA 0.328 45.408 45.100 -0.033 0.000 0.920 708 G HN 0.857 nan 8.290 nan 0.000 0.571 709 D N -1.462 118.968 120.400 0.050 0.000 2.696 709 D HA 0.555 5.194 4.640 -0.002 0.000 0.251 709 D C 1.140 177.529 176.300 0.148 0.000 1.188 709 D CA -0.072 53.998 54.000 0.117 0.000 0.876 709 D CB 1.697 42.551 40.800 0.091 0.000 1.334 709 D HN 0.350 nan 8.370 nan 0.000 0.540 710 V N 3.233 123.279 119.914 0.220 0.000 2.427 710 V HA -0.096 4.022 4.120 -0.002 0.000 0.248 710 V C 2.129 178.303 176.094 0.134 0.000 1.051 710 V CA 2.148 64.571 62.300 0.205 0.000 1.048 710 V CB -0.310 31.647 31.823 0.224 0.000 0.666 710 V HN 0.723 nan 8.190 nan 0.000 0.456 711 A N -1.001 121.881 122.820 0.104 0.000 2.235 711 A HA -0.048 4.270 4.320 -0.002 0.000 0.208 711 A C 1.163 178.776 177.584 0.049 0.000 1.172 711 A CA 0.588 52.662 52.037 0.063 0.000 0.786 711 A CB -0.222 18.803 19.000 0.041 0.000 0.804 711 A HN 0.495 nan 8.150 nan 0.000 0.479 712 D N 0.196 120.632 120.400 0.059 0.000 2.473 712 D HA 0.215 4.854 4.640 -0.002 0.000 0.226 712 D C -1.813 174.520 176.300 0.055 0.000 1.089 712 D CA -1.750 52.277 54.000 0.044 0.000 0.883 712 D CB 1.375 42.197 40.800 0.037 0.000 1.029 712 D HN 0.086 nan 8.370 nan 0.000 0.517 713 P HA -0.126 nan 4.420 nan 0.000 0.220 713 P C 1.177 178.501 177.300 0.039 0.000 1.148 713 P CA 0.642 63.771 63.100 0.048 0.000 0.803 713 P CB 0.084 31.807 31.700 0.038 0.000 0.782 714 S N -1.178 114.539 115.700 0.030 0.000 2.603 714 S HA -0.008 4.460 4.470 -0.002 0.000 0.229 714 S C 1.032 175.644 174.600 0.021 0.000 0.972 714 S CA 0.033 58.246 58.200 0.021 0.000 0.935 714 S CB -0.703 62.505 63.200 0.015 0.000 0.769 714 S HN 0.113 nan 8.310 nan 0.000 0.536 715 R N 1.269 121.789 120.500 0.034 0.000 2.215 715 R HA 0.391 4.730 4.340 -0.002 0.000 0.337 715 R C 0.204 176.525 176.300 0.035 0.000 1.010 715 R CA -0.016 56.104 56.100 0.034 0.000 0.871 715 R CB 0.919 31.252 30.300 0.055 0.000 1.134 715 R HN 0.230 nan 8.270 nan 0.000 0.477 716 T N 0.901 115.454 114.554 -0.002 0.000 3.040 716 T HA -0.050 4.298 4.350 -0.002 0.000 0.252 716 T C 1.582 176.248 174.700 -0.056 0.000 1.064 716 T CA 0.253 62.349 62.100 -0.006 0.000 1.110 716 T CB 0.172 69.032 68.868 -0.014 0.000 0.921 716 T HN 0.303 nan 8.240 nan 0.000 0.480 717 K N 1.700 122.005 120.400 -0.159 0.000 1.985 717 K HA -0.053 4.265 4.320 -0.002 0.000 0.210 717 K C 0.050 176.309 176.600 -0.569 0.000 1.047 717 K CA 1.387 57.432 56.287 -0.404 0.000 0.932 717 K CB -0.388 31.769 32.500 -0.572 0.000 0.716 717 K HN 0.424 nan 8.250 nan 0.000 0.439 718 Y N 1.699 121.918 120.300 -0.135 0.000 2.850 718 Y HA 0.254 4.802 4.550 -0.002 0.000 0.360 718 Y C -0.078 175.943 175.900 0.201 0.000 1.174 718 Y CA -0.904 57.096 58.100 -0.165 0.000 1.373 718 Y CB 0.293 38.667 38.460 -0.142 0.000 1.487 718 Y HN 0.096 nan 8.280 nan 0.000 0.553 719 S N -0.489 115.383 115.700 0.286 0.000 2.707 719 S HA 0.169 4.637 4.470 -0.002 0.000 0.276 719 S C 1.012 175.884 174.600 0.454 0.000 1.179 719 S CA -0.811 57.575 58.200 0.311 0.000 0.992 719 S CB 1.230 64.538 63.200 0.180 0.000 1.030 719 S HN 0.534 nan 8.310 nan 0.000 0.554 720 L N 0.818 122.245 121.223 0.338 0.000 2.081 720 L HA -0.138 4.200 4.340 -0.002 0.000 0.212 720 L C 2.680 179.716 176.870 0.277 0.000 1.080 720 L CA 2.120 57.149 54.840 0.316 0.000 0.754 720 L CB -0.985 41.185 42.059 0.186 0.000 0.893 720 L HN 0.963 nan 8.230 nan 0.000 0.433 721 Q N -2.044 117.878 119.800 0.204 0.000 2.291 721 Q HA -0.250 4.088 4.340 -0.002 0.000 0.205 721 Q C 2.119 178.201 176.000 0.136 0.000 0.970 721 Q CA 1.493 57.381 55.803 0.142 0.000 0.876 721 Q CB -0.250 28.551 28.738 0.104 0.000 0.935 721 Q HN 0.715 nan 8.270 nan 0.000 0.455 722 Y N -0.069 120.254 120.300 0.037 0.000 2.133 722 Y HA -0.270 4.278 4.550 -0.002 0.000 0.287 722 Y C 1.334 177.158 175.900 -0.127 0.000 1.134 722 Y CA 1.856 59.881 58.100 -0.125 0.000 1.133 722 Y CB -0.591 37.718 38.460 -0.251 0.000 0.987 722 Y HN 0.108 nan 8.280 nan 0.000 0.502 723 Y N -0.316 119.973 120.300 -0.018 0.000 2.133 723 Y HA -0.144 4.405 4.550 -0.002 0.000 0.287 723 Y C 1.413 177.278 175.900 -0.059 0.000 1.134 723 Y CA 0.653 58.704 58.100 -0.081 0.000 1.133 723 Y CB -0.560 37.990 38.460 0.150 0.000 0.987 723 Y HN -0.038 nan 8.280 nan 0.000 0.502 724 M N 0.526 120.236 119.600 0.184 0.000 2.260 724 M HA 0.065 4.543 4.480 -0.002 0.000 0.348 724 M C 1.409 177.728 176.300 0.031 0.000 1.342 724 M CA 1.319 56.690 55.300 0.118 0.000 1.040 724 M CB -0.427 32.235 32.600 0.104 0.000 1.810 724 M HN 0.684 nan 8.290 nan 0.000 0.453 725 G N 2.561 111.382 108.800 0.034 0.000 2.611 725 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.208 725 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.208 725 G C 0.631 175.484 174.900 -0.078 0.000 1.201 725 G CA 0.265 45.352 45.100 -0.022 0.000 0.739 725 G HN 0.592 nan 8.290 nan 0.000 0.528 726 L N 1.835 122.944 121.223 -0.190 0.000 1.994 726 L HA 0.389 4.728 4.340 -0.002 0.000 0.208 726 L C 3.331 180.159 176.870 -0.071 0.000 1.071 726 L CA 3.295 58.010 54.840 -0.208 0.000 0.745 726 L CB -0.626 41.200 42.059 -0.389 0.000 0.892 726 L HN 0.796 nan 8.230 nan 0.000 0.431 727 A N -1.005 121.814 122.820 -0.001 0.000 1.940 727 A HA -0.281 4.038 4.320 -0.002 0.000 0.219 727 A C 2.168 179.800 177.584 0.081 0.000 1.176 727 A CA 1.838 53.901 52.037 0.044 0.000 0.631 727 A CB -0.695 18.390 19.000 0.142 0.000 0.814 727 A HN 0.560 nan 8.150 nan 0.000 0.446 728 E N 0.317 120.626 120.200 0.181 0.000 2.023 728 E HA -0.228 4.121 4.350 -0.002 0.000 0.196 728 E C 1.876 178.527 176.600 0.085 0.000 1.003 728 E CA 2.019 58.559 56.400 0.233 0.000 0.809 728 E CB -0.350 29.438 29.700 0.146 0.000 0.755 728 E HN 0.689 nan 8.360 nan 0.000 0.449 729 E N -0.381 119.830 120.200 0.018 0.000 2.118 729 E HA -0.179 4.169 4.350 -0.002 0.000 0.195 729 E C 2.172 178.750 176.600 -0.037 0.000 0.992 729 E CA 1.204 57.595 56.400 -0.016 0.000 0.804 729 E CB -0.107 29.568 29.700 -0.042 0.000 0.741 729 E HN 0.318 nan 8.360 nan 0.000 0.458 730 L N -0.122 121.068 121.223 -0.055 0.000 2.044 730 L HA -0.146 4.192 4.340 -0.002 0.000 0.205 730 L C 2.417 179.222 176.870 -0.109 0.000 1.075 730 L CA 0.553 55.347 54.840 -0.077 0.000 0.747 730 L CB -0.361 41.654 42.059 -0.075 0.000 0.903 730 L HN 0.042 nan 8.230 nan 0.000 0.435 731 V N 0.169 119.985 119.914 -0.164 0.000 2.287 731 V HA -0.334 3.785 4.120 -0.002 0.000 0.248 731 V C 2.696 178.731 176.094 -0.099 0.000 1.053 731 V CA 2.110 64.275 62.300 -0.225 0.000 1.027 731 V CB -0.725 30.801 31.823 -0.494 0.000 0.646 731 V HN 0.479 nan 8.190 nan 0.000 0.447 732 R N 0.518 120.998 120.500 -0.032 0.000 2.117 732 R HA -0.186 4.152 4.340 -0.002 0.000 0.243 732 R C 2.019 178.301 176.300 -0.029 0.000 1.143 732 R CA 1.837 57.933 56.100 -0.006 0.000 0.968 732 R CB -0.389 29.920 30.300 0.015 0.000 0.863 732 R HN 0.498 nan 8.270 nan 0.000 0.444 733 A N -0.122 122.670 122.820 -0.046 0.000 2.206 733 A HA 0.217 4.536 4.320 -0.002 0.000 0.211 733 A C 0.751 178.292 177.584 -0.072 0.000 1.158 733 A CA 0.718 52.724 52.037 -0.051 0.000 0.761 733 A CB -0.106 18.863 19.000 -0.051 0.000 0.801 733 A HN 0.589 nan 8.150 nan 0.000 0.473 734 G N -0.229 108.514 108.800 -0.096 0.000 2.830 734 G HA2 -0.027 3.932 3.960 -0.002 0.000 0.298 734 G HA3 -0.027 3.932 3.960 -0.002 0.000 0.298 734 G C -0.279 174.502 174.900 -0.199 0.000 1.031 734 G CA -0.193 44.823 45.100 -0.140 0.000 1.179 734 G HN 0.560 nan 8.290 nan 0.000 0.527 735 T N 2.687 117.124 114.554 -0.195 0.000 2.902 735 T HA 0.615 4.964 4.350 -0.002 0.000 0.283 735 T C 1.179 175.753 174.700 -0.210 0.000 1.009 735 T CA -0.627 61.364 62.100 -0.181 0.000 1.051 735 T CB 1.614 70.412 68.868 -0.116 0.000 0.999 735 T HN 0.462 nan 8.240 nan 0.000 0.474 736 H N 0.937 120.030 119.070 0.037 0.000 2.329 736 H HA 0.279 4.833 4.556 -0.002 0.000 0.306 736 H C 0.324 175.694 175.328 0.068 0.000 1.062 736 H CA 0.883 56.974 56.048 0.071 0.000 1.364 736 H CB 0.293 30.134 29.762 0.132 0.000 1.409 736 H HN 0.348 nan 8.280 nan 0.000 0.519 737 I N 1.137 121.837 120.570 0.218 0.000 2.498 737 I HA 0.138 4.306 4.170 -0.002 0.000 0.290 737 I C -0.854 175.302 176.117 0.065 0.000 1.032 737 I CA -0.723 60.659 61.300 0.138 0.000 1.073 737 I CB 2.919 41.063 38.000 0.240 0.000 1.251 737 I HN -0.079 nan 8.210 nan 0.000 0.426 738 L N 6.898 128.117 121.223 -0.006 0.000 2.289 738 L HA 0.624 4.962 4.340 -0.002 0.000 0.285 738 L C -0.620 176.244 176.870 -0.010 0.000 1.049 738 L CA 0.054 54.874 54.840 -0.032 0.000 0.804 738 L CB 1.169 43.166 42.059 -0.104 0.000 1.195 738 L HN 0.838 nan 8.230 nan 0.000 0.428 739 C N 6.725 126.019 119.300 -0.010 0.000 2.408 739 C HA 0.669 5.127 4.460 -0.002 0.000 0.321 739 C C 0.009 174.995 174.990 -0.007 0.000 1.245 739 C CA -0.872 58.126 59.018 -0.033 0.000 1.523 739 C CB 0.171 27.845 27.740 -0.110 0.000 2.178 739 C HN 0.778 nan 8.230 nan 0.000 0.488 743 M N 0.081 119.766 119.600 0.142 0.000 2.446 743 M HA 0.141 4.620 4.480 -0.002 0.000 0.263 743 M C 0.975 177.116 176.300 -0.264 0.000 1.066 743 M CA 1.614 56.914 55.300 0.001 0.000 1.087 743 M CB -0.757 31.804 32.600 -0.065 0.000 1.406 743 M HN 0.248 nan 8.290 nan 0.000 0.459 744 A N 0.084 122.855 122.820 -0.081 0.000 2.343 744 A HA 0.547 4.866 4.320 -0.002 0.000 0.223 744 A C 1.525 179.060 177.584 -0.082 0.000 1.214 744 A CA 0.499 52.471 52.037 -0.108 0.000 0.900 744 A CB -0.330 18.642 19.000 -0.046 0.000 0.942 744 A HN 0.836 nan 8.150 nan 0.000 0.507 745 G N -0.247 108.548 108.800 -0.009 0.000 2.248 745 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.263 745 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.263 745 G C 0.391 175.271 174.900 -0.033 0.000 1.082 745 G CA 0.399 45.482 45.100 -0.029 0.000 0.863 745 G HN 0.490 nan 8.290 nan 0.000 0.495 746 L N -1.076 120.204 121.223 0.094 0.000 2.628 746 L HA 0.359 4.698 4.340 -0.002 0.000 0.229 746 L C 0.952 178.060 176.870 0.398 0.000 1.137 746 L CA -0.370 54.611 54.840 0.235 0.000 0.909 746 L CB 0.268 42.469 42.059 0.236 0.000 1.137 746 L HN 0.258 nan 8.230 nan 0.000 0.470 747 L N 1.632 122.981 121.223 0.210 0.000 2.268 747 L HA 0.264 4.603 4.340 -0.002 0.000 0.289 747 L C 0.197 177.106 176.870 0.065 0.000 1.064 747 L CA 0.172 55.035 54.840 0.039 0.000 0.824 747 L CB 0.309 42.234 42.059 -0.224 0.000 1.202 747 L HN -0.009 nan 8.230 nan 0.000 0.433 748 K N 5.685 126.143 120.400 0.097 0.000 2.098 748 K HA 0.333 4.651 4.320 -0.002 0.000 0.257 748 K C -1.645 174.957 176.600 0.002 0.000 0.999 748 K CA -1.535 54.786 56.287 0.058 0.000 0.924 748 K CB 0.829 33.351 32.500 0.037 0.000 1.028 748 K HN 0.276 nan 8.250 nan 0.000 0.466 749 P HA -0.246 nan 4.420 nan 0.000 0.214 749 P C 1.320 178.610 177.300 -0.017 0.000 1.163 749 P CA 1.829 64.919 63.100 -0.016 0.000 0.889 749 P CB -0.022 31.672 31.700 -0.010 0.000 0.790 750 T N -2.689 111.859 114.554 -0.009 0.000 2.777 750 T HA -0.070 4.279 4.350 -0.002 0.000 0.266 750 T C 1.943 176.643 174.700 -0.001 0.000 1.040 750 T CA 1.301 63.398 62.100 -0.005 0.000 1.141 750 T CB -1.329 67.537 68.868 -0.002 0.000 0.868 750 T HN 0.022 nan 8.240 nan 0.000 0.444 751 A N 0.342 123.166 122.820 0.007 0.000 2.019 751 A HA -0.000 4.318 4.320 -0.002 0.000 0.219 751 A C 2.735 180.296 177.584 -0.038 0.000 1.164 751 A CA 1.382 53.430 52.037 0.019 0.000 0.644 751 A CB -1.469 17.575 19.000 0.073 0.000 0.805 751 A HN 0.713 nan 8.150 nan 0.000 0.449 752 C N -1.002 118.261 119.300 -0.062 0.000 2.496 752 C HA -0.077 4.382 4.460 -0.002 0.000 0.281 752 C C 3.342 178.296 174.990 -0.060 0.000 1.250 752 C CA 1.701 60.663 59.018 -0.093 0.000 1.717 752 C CB -1.274 26.416 27.740 -0.083 0.000 2.082 752 C HN 0.791 nan 8.230 nan 0.000 0.472 753 T N -0.766 113.767 114.554 -0.036 0.000 2.881 753 T HA -0.215 4.134 4.350 -0.002 0.000 0.270 753 T C 1.699 176.392 174.700 -0.012 0.000 1.068 753 T CA 1.709 63.795 62.100 -0.023 0.000 1.131 753 T CB -0.510 68.349 68.868 -0.015 0.000 0.871 753 T HN 0.556 nan 8.240 nan 0.000 0.479 754 M N -0.039 119.556 119.600 -0.007 0.000 2.067 754 M HA 0.059 4.537 4.480 -0.002 0.000 0.260 754 M C 2.123 178.430 176.300 0.011 0.000 1.069 754 M CA 1.639 56.944 55.300 0.009 0.000 1.117 754 M CB -0.241 32.372 32.600 0.022 0.000 1.334 754 M HN 0.378 nan 8.290 nan 0.000 0.407 755 L N -0.150 121.069 121.223 -0.006 0.000 2.023 755 L HA -0.064 4.274 4.340 -0.002 0.000 0.205 755 L C 2.058 178.926 176.870 -0.002 0.000 1.073 755 L CA 1.523 56.359 54.840 -0.007 0.000 0.745 755 L CB -0.762 41.253 42.059 -0.073 0.000 0.900 755 L HN 0.162 nan 8.230 nan 0.000 0.435 756 V N -0.773 119.126 119.914 -0.024 0.000 2.343 756 V HA -0.248 3.871 4.120 -0.002 0.000 0.247 756 V C 2.651 178.749 176.094 0.008 0.000 1.051 756 V CA 1.831 64.124 62.300 -0.011 0.000 1.036 756 V CB -0.776 31.029 31.823 -0.031 0.000 0.654 756 V HN 0.503 nan 8.190 nan 0.000 0.451 757 S N 0.172 115.872 115.700 0.001 0.000 2.387 757 S HA -0.207 4.262 4.470 -0.002 0.000 0.230 757 S C 2.210 176.815 174.600 0.008 0.000 1.035 757 S CA 1.913 60.115 58.200 0.004 0.000 1.014 757 S CB -0.267 62.934 63.200 0.001 0.000 0.836 757 S HN 0.669 nan 8.310 nan 0.000 0.466 758 S N 1.304 117.014 115.700 0.016 0.000 2.406 758 S HA 0.134 4.602 4.470 -0.002 0.000 0.228 758 S C 1.750 176.364 174.600 0.023 0.000 1.020 758 S CA 0.641 58.849 58.200 0.014 0.000 0.965 758 S CB -0.258 62.961 63.200 0.031 0.000 0.798 758 S HN 0.368 nan 8.310 nan 0.000 0.488 759 L N 0.769 122.038 121.223 0.076 0.000 2.156 759 L HA 0.038 4.377 4.340 -0.002 0.000 0.208 759 L C 2.628 179.600 176.870 0.170 0.000 1.095 759 L CA 0.937 55.886 54.840 0.181 0.000 0.770 759 L CB -0.283 41.885 42.059 0.183 0.000 0.914 759 L HN 0.164 nan 8.230 nan 0.000 0.439 760 R N 0.404 120.953 120.500 0.081 0.000 2.090 760 R HA -0.129 4.210 4.340 -0.002 0.000 0.228 760 R C 1.697 178.004 176.300 0.011 0.000 1.110 760 R CA 1.246 57.381 56.100 0.058 0.000 0.973 760 R CB -0.220 30.099 30.300 0.032 0.000 0.869 760 R HN 0.209 nan 8.270 nan 0.000 0.440 761 D N -0.350 120.038 120.400 -0.021 0.000 2.108 761 D HA -0.205 4.434 4.640 -0.002 0.000 0.190 761 D C 1.835 178.054 176.300 -0.135 0.000 0.995 761 D CA 1.639 55.602 54.000 -0.062 0.000 0.834 761 D CB -0.089 40.672 40.800 -0.065 0.000 0.967 761 D HN 0.023 nan 8.370 nan 0.000 0.446 762 R N -0.725 119.621 120.500 -0.257 0.000 2.073 762 R HA 0.073 4.412 4.340 -0.002 0.000 0.229 762 R C -0.099 175.765 176.300 -0.728 0.000 1.120 762 R CA 0.827 56.568 56.100 -0.599 0.000 0.967 762 R CB -0.077 29.665 30.300 -0.930 0.000 0.862 762 R HN 0.141 nan 8.270 nan 0.000 0.436 763 F N 0.842 120.793 119.950 0.003 0.000 2.552 763 F HA 0.399 4.925 4.527 -0.002 0.000 0.369 763 F C -1.598 174.203 175.800 0.001 0.000 1.112 763 F CA -2.419 55.582 58.000 0.002 0.000 1.129 763 F CB 1.981 40.982 39.000 0.002 0.000 1.360 763 F HN -0.036 nan 8.300 nan 0.000 0.473 764 P HA -0.150 nan 4.420 nan 0.000 0.218 764 P C 0.189 177.533 177.300 0.074 0.000 1.149 764 P CA 1.477 64.618 63.100 0.069 0.000 0.817 764 P CB 0.132 31.855 31.700 0.038 0.000 0.785 765 D N -1.367 119.087 120.400 0.089 0.000 2.788 765 D HA 0.267 4.905 4.640 -0.002 0.000 0.289 765 D C -0.241 176.094 176.300 0.059 0.000 1.340 765 D CA -0.630 53.407 54.000 0.063 0.000 0.831 765 D CB -0.708 40.122 40.800 0.050 0.000 1.103 765 D HN 0.032 nan 8.370 nan 0.000 0.476 766 L N 0.145 121.410 121.223 0.070 0.000 2.313 766 L HA 0.623 4.962 4.340 -0.002 0.000 0.283 766 L C -2.808 174.062 176.870 -0.000 0.000 1.013 766 L CA -2.093 52.760 54.840 0.022 0.000 0.816 766 L CB 1.526 43.569 42.059 -0.026 0.000 1.236 766 L HN -0.209 nan 8.230 nan 0.000 0.419 767 P HA 0.204 nan 4.420 nan 0.000 0.271 767 P C -1.187 176.078 177.300 -0.058 0.000 1.226 767 P CA 0.256 63.325 63.100 -0.051 0.000 0.765 767 P CB 0.462 32.128 31.700 -0.057 0.000 0.835 768 L N 3.892 125.071 121.223 -0.074 0.000 2.280 768 L HA 0.385 4.723 4.340 -0.002 0.000 0.287 768 L C 0.448 177.263 176.870 -0.092 0.000 1.023 768 L CA -0.427 54.379 54.840 -0.058 0.000 0.819 768 L CB 0.673 42.713 42.059 -0.031 0.000 1.212 768 L HN 0.488 nan 8.230 nan 0.000 0.420 769 H N 4.274 123.224 119.070 -0.200 0.000 2.511 769 H HA 0.601 5.156 4.556 -0.002 0.000 0.328 769 H C -0.940 174.297 175.328 -0.153 0.000 1.044 769 H CA -0.698 55.190 56.048 -0.268 0.000 1.212 769 H CB 1.266 30.810 29.762 -0.363 0.000 1.428 769 H HN 0.481 nan 8.280 nan 0.000 0.483 770 I N 4.013 124.684 120.570 0.168 0.000 2.530 770 I HA 0.185 4.353 4.170 -0.002 0.000 0.297 770 I C -0.857 175.317 176.117 0.095 0.000 1.011 770 I CA -0.654 60.680 61.300 0.056 0.000 1.107 770 I CB 1.878 39.860 38.000 -0.029 0.000 1.285 770 I HN 0.679 nan 8.210 nan 0.000 0.436 771 H N 3.429 122.449 119.070 -0.082 0.000 2.782 771 H HA 0.586 5.140 4.556 -0.003 0.000 0.347 771 H C -1.181 174.092 175.328 -0.090 0.000 1.038 771 H CA -0.177 55.807 56.048 -0.106 0.000 1.255 771 H CB 1.814 31.486 29.762 -0.149 0.000 1.623 771 H HN 0.555 nan 8.280 nan 0.000 0.525 772 T N 3.280 117.509 114.554 -0.542 0.000 2.838 772 T HA 0.386 4.734 4.350 -0.002 0.000 0.292 772 T C -1.312 173.066 174.700 -0.537 0.000 1.113 772 T CA -0.623 61.252 62.100 -0.374 0.000 1.008 772 T CB 0.962 69.715 68.868 -0.191 0.000 1.259 772 T HN 0.704 nan 8.240 nan 0.000 0.520 773 H N 0.916 119.811 119.070 -0.292 0.000 2.670 773 H HA 0.314 4.869 4.556 -0.002 0.000 0.361 773 H C -0.423 174.796 175.328 -0.181 0.000 1.169 773 H CA -0.596 55.313 56.048 -0.232 0.000 1.198 773 H CB 2.082 31.734 29.762 -0.184 0.000 1.700 773 H HN 0.575 nan 8.280 nan 0.000 0.542 774 D N 0.646 121.003 120.400 -0.071 0.000 2.325 774 D HA 0.006 4.644 4.640 -0.002 0.000 0.225 774 D C 1.115 177.345 176.300 -0.117 0.000 1.096 774 D CA 0.188 54.132 54.000 -0.093 0.000 0.844 774 D CB 0.212 40.953 40.800 -0.098 0.000 0.925 774 D HN 0.513 nan 8.370 nan 0.000 0.513 775 T N -1.207 113.260 114.554 -0.144 0.000 2.685 775 T HA -0.237 4.112 4.350 -0.002 0.000 0.268 775 T C 1.981 176.527 174.700 -0.256 0.000 1.034 775 T CA 1.862 63.809 62.100 -0.255 0.000 1.149 775 T CB -0.315 68.349 68.868 -0.339 0.000 0.860 775 T HN 0.280 nan 8.240 nan 0.000 0.449 776 S N 0.373 115.935 115.700 -0.229 0.000 2.461 776 S HA 0.330 4.798 4.470 -0.002 0.000 0.228 776 S C 1.934 176.496 174.600 -0.064 0.000 1.005 776 S CA 0.631 58.711 58.200 -0.200 0.000 0.942 776 S CB -0.265 62.777 63.200 -0.263 0.000 0.776 776 S HN 0.877 nan 8.310 nan 0.000 0.514 777 G N 0.483 109.244 108.800 -0.064 0.000 2.141 777 G HA2 -0.074 3.885 3.960 -0.002 0.000 0.231 777 G HA3 -0.074 3.885 3.960 -0.002 0.000 0.231 777 G C 0.524 175.421 174.900 -0.005 0.000 0.984 777 G CA -0.087 44.993 45.100 -0.034 0.000 0.660 777 G HN 1.299 nan 8.290 nan 0.000 0.525 778 A N -0.091 122.733 122.820 0.006 0.000 2.469 778 A HA 0.672 4.991 4.320 -0.002 0.000 0.245 778 A C 2.300 179.880 177.584 -0.007 0.000 1.221 778 A CA 1.320 53.370 52.037 0.021 0.000 0.946 778 A CB -0.232 18.814 19.000 0.076 0.000 1.049 778 A HN 1.501 nan 8.150 nan 0.000 0.529 779 G N 0.515 109.295 108.800 -0.034 0.000 2.529 779 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.219 779 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.219 779 G C 1.494 176.363 174.900 -0.053 0.000 1.177 779 G CA 1.702 46.766 45.100 -0.059 0.000 0.773 779 G HN 0.281 nan 8.290 nan 0.000 0.573 780 V N 1.616 121.506 119.914 -0.040 0.000 2.261 780 V HA -0.154 3.964 4.120 -0.002 0.000 0.246 780 V C 3.384 179.463 176.094 -0.024 0.000 1.047 780 V CA 2.266 64.548 62.300 -0.030 0.000 1.015 780 V CB -1.084 30.728 31.823 -0.018 0.000 0.642 780 V HN 0.528 nan 8.190 nan 0.000 0.446 781 A N -0.070 122.740 122.820 -0.016 0.000 1.917 781 A HA -0.223 4.096 4.320 -0.002 0.000 0.219 781 A C 2.394 179.966 177.584 -0.020 0.000 1.182 781 A CA 2.503 54.532 52.037 -0.012 0.000 0.633 781 A CB -0.864 18.134 19.000 -0.003 0.000 0.819 781 A HN 0.629 nan 8.150 nan 0.000 0.448 782 A N -1.355 121.449 122.820 -0.025 0.000 1.930 782 A HA -0.059 4.259 4.320 -0.002 0.000 0.217 782 A C 2.139 179.691 177.584 -0.053 0.000 1.175 782 A CA 1.892 53.906 52.037 -0.039 0.000 0.627 782 A CB -0.406 18.567 19.000 -0.044 0.000 0.815 782 A HN 0.433 nan 8.150 nan 0.000 0.443 783 M N -0.477 119.091 119.600 -0.054 0.000 2.200 783 M HA 0.061 4.540 4.480 -0.002 0.000 0.265 783 M C 2.082 178.356 176.300 -0.043 0.000 1.066 783 M CA 1.065 56.331 55.300 -0.056 0.000 1.127 783 M CB -1.383 31.181 32.600 -0.060 0.000 1.379 783 M HN 0.367 nan 8.290 nan 0.000 0.420 784 L N -0.208 120.996 121.223 -0.031 0.000 2.131 784 L HA -0.145 4.194 4.340 -0.002 0.000 0.210 784 L C 2.641 179.497 176.870 -0.022 0.000 1.092 784 L CA 1.027 55.854 54.840 -0.022 0.000 0.759 784 L CB -0.844 41.207 42.059 -0.013 0.000 0.903 784 L HN 0.254 nan 8.230 nan 0.000 0.435 785 A N -1.135 121.669 122.820 -0.026 0.000 1.968 785 A HA -0.183 4.136 4.320 -0.002 0.000 0.217 785 A C 2.385 179.949 177.584 -0.033 0.000 1.169 785 A CA 1.485 53.506 52.037 -0.026 0.000 0.638 785 A CB -0.963 18.020 19.000 -0.027 0.000 0.812 785 A HN 0.503 nan 8.150 nan 0.000 0.446 786 C N -1.097 118.176 119.300 -0.044 0.000 2.453 786 C HA 0.079 4.537 4.460 -0.002 0.000 0.277 786 C C 3.325 178.291 174.990 -0.040 0.000 1.262 786 C CA 0.779 59.766 59.018 -0.050 0.000 1.718 786 C CB -1.234 26.468 27.740 -0.065 0.000 2.031 786 C HN 0.707 nan 8.230 nan 0.000 0.480 787 A N -0.257 122.540 122.820 -0.037 0.000 1.908 787 A HA -0.233 4.085 4.320 -0.002 0.000 0.218 787 A C 2.168 179.740 177.584 -0.019 0.000 1.181 787 A CA 1.658 53.677 52.037 -0.030 0.000 0.627 787 A CB -0.521 18.464 19.000 -0.025 0.000 0.818 787 A HN 0.690 nan 8.150 nan 0.000 0.445 788 Q N -0.994 118.795 119.800 -0.017 0.000 2.172 788 Q HA 0.026 4.365 4.340 -0.002 0.000 0.200 788 Q C 2.113 178.106 176.000 -0.011 0.000 0.964 788 Q CA 1.253 57.050 55.803 -0.011 0.000 0.855 788 Q CB -0.412 28.320 28.738 -0.010 0.000 0.918 788 Q HN 0.650 nan 8.270 nan 0.000 0.444 789 A N 0.023 122.834 122.820 -0.015 0.000 2.235 789 A HA 0.311 4.630 4.320 -0.002 0.000 0.208 789 A C 1.124 178.702 177.584 -0.010 0.000 1.172 789 A CA 0.837 52.867 52.037 -0.012 0.000 0.786 789 A CB -0.271 18.719 19.000 -0.016 0.000 0.804 789 A HN 0.380 nan 8.150 nan 0.000 0.479 790 G N -1.628 107.165 108.800 -0.012 0.000 2.255 790 G HA2 0.202 4.161 3.960 -0.002 0.000 0.239 790 G HA3 0.202 4.161 3.960 -0.002 0.000 0.239 790 G C 0.151 175.041 174.900 -0.016 0.000 1.083 790 G CA 0.134 45.229 45.100 -0.009 0.000 0.826 790 G HN 1.474 nan 8.290 nan 0.000 0.493 791 A N -0.503 122.298 122.820 -0.031 0.000 2.316 791 A HA 0.710 5.028 4.320 -0.002 0.000 0.284 791 A C 1.050 178.590 177.584 -0.073 0.000 1.115 791 A CA 0.284 52.290 52.037 -0.052 0.000 0.812 791 A CB 0.622 19.585 19.000 -0.062 0.000 1.064 791 A HN 0.217 nan 8.150 nan 0.000 0.489 792 D N -0.045 120.288 120.400 -0.112 0.000 2.216 792 D HA 0.101 4.740 4.640 -0.002 0.000 0.208 792 D C 0.065 176.220 176.300 -0.241 0.000 0.960 792 D CA 1.472 55.386 54.000 -0.145 0.000 0.861 792 D CB 0.398 41.103 40.800 -0.159 0.000 0.985 792 D HN 0.286 nan 8.370 nan 0.000 0.493 793 V N 0.951 120.655 119.914 -0.350 0.000 2.876 793 V HA 0.493 4.612 4.120 -0.002 0.000 0.312 793 V C -0.128 175.765 176.094 -0.334 0.000 1.085 793 V CA -0.810 61.175 62.300 -0.524 0.000 0.945 793 V CB 2.906 33.976 31.823 -1.256 0.000 1.017 793 V HN -0.251 nan 8.190 nan 0.000 0.428 794 V N 1.265 121.032 119.914 -0.246 0.000 3.049 794 V HA 0.566 4.685 4.120 -0.002 0.000 0.309 794 V C -1.449 174.619 176.094 -0.044 0.000 1.148 794 V CA -0.621 61.625 62.300 -0.090 0.000 0.990 794 V CB 2.720 34.496 31.823 -0.078 0.000 1.039 794 V HN 0.965 nan 8.190 nan 0.000 0.430 795 D N 1.916 122.324 120.400 0.012 0.000 2.163 795 D HA 0.695 5.334 4.640 -0.002 0.000 0.248 795 D C -0.497 175.774 176.300 -0.048 0.000 1.035 795 D CA 0.038 54.055 54.000 0.028 0.000 0.872 795 D CB 2.074 42.934 40.800 0.100 0.000 1.183 795 D HN 0.526 nan 8.370 nan 0.000 0.445 796 V N -2.233 117.653 119.914 -0.046 0.000 3.159 796 V HA 0.977 5.095 4.120 -0.002 0.000 0.308 796 V C -0.970 175.079 176.094 -0.074 0.000 1.190 796 V CA -1.113 61.148 62.300 -0.064 0.000 1.037 796 V CB 1.556 33.357 31.823 -0.037 0.000 1.060 796 V HN 0.653 nan 8.190 nan 0.000 0.437 797 A N 1.044 123.814 122.820 -0.084 0.000 2.423 797 A HA 1.009 5.328 4.320 -0.002 0.000 0.304 797 A C 0.264 177.809 177.584 -0.065 0.000 1.104 797 A CA -0.510 51.464 52.037 -0.105 0.000 0.757 797 A CB 1.432 20.334 19.000 -0.163 0.000 1.313 797 A HN 2.548 nan 8.150 nan 0.000 0.423 798 A N 0.953 123.716 122.820 -0.096 0.000 2.567 798 A HA 0.261 4.579 4.320 -0.002 0.000 0.240 798 A C 0.738 178.306 177.584 -0.028 0.000 1.053 798 A CA 0.530 52.544 52.037 -0.038 0.000 0.755 798 A CB -0.248 18.609 19.000 -0.239 0.000 0.978 798 A HN 0.790 nan 8.150 nan 0.000 0.507 799 D N 2.160 122.597 120.400 0.060 0.000 2.191 799 D HA -0.247 4.392 4.640 -0.002 0.000 0.190 799 D C 2.147 178.453 176.300 0.011 0.000 1.007 799 D CA 2.354 56.384 54.000 0.049 0.000 0.865 799 D CB -0.557 40.304 40.800 0.102 0.000 0.929 799 D HN 0.766 nan 8.370 nan 0.000 0.447 800 S N -1.107 114.607 115.700 0.024 0.000 2.561 800 S HA -0.003 4.465 4.470 -0.002 0.000 0.225 800 S C 1.360 175.945 174.600 -0.024 0.000 0.977 800 S CA 0.327 58.539 58.200 0.019 0.000 0.926 800 S CB 0.081 63.319 63.200 0.063 0.000 0.769 800 S HN 0.072 nan 8.310 nan 0.000 0.533 801 M N 2.260 121.803 119.600 -0.094 0.000 2.692 801 M HA 0.338 4.817 4.480 -0.002 0.000 0.372 801 M C 0.234 176.443 176.300 -0.151 0.000 1.192 801 M CA -0.042 55.157 55.300 -0.169 0.000 0.928 801 M CB 0.146 32.521 32.600 -0.376 0.000 1.366 801 M HN 0.519 nan 8.290 nan 0.000 0.517 802 S N -1.183 114.457 115.700 -0.100 0.000 2.823 802 S HA 0.948 5.417 4.470 -0.002 0.000 0.316 802 S C 0.505 175.057 174.600 -0.079 0.000 1.116 802 S CA 0.044 58.188 58.200 -0.095 0.000 0.911 802 S CB 1.859 65.016 63.200 -0.072 0.000 1.276 802 S HN 0.580 nan 8.310 nan 0.000 0.565 803 G N -0.259 108.492 108.800 -0.081 0.000 2.796 803 G HA2 -0.029 3.930 3.960 -0.002 0.000 0.226 803 G HA3 -0.029 3.930 3.960 -0.002 0.000 0.226 803 G C 0.285 175.131 174.900 -0.090 0.000 1.381 803 G CA -0.082 44.972 45.100 -0.077 0.000 0.867 803 G HN 1.603 nan 8.290 nan 0.000 0.552 804 M N -2.778 116.761 119.600 -0.100 0.000 7.319 804 M HA -0.348 4.131 4.480 -0.002 0.000 0.312 804 M C 2.101 178.324 176.300 -0.129 0.000 0.480 804 M CA 3.530 58.752 55.300 -0.131 0.000 1.311 804 M CB -2.097 30.429 32.600 -0.124 0.000 0.421 804 M HN 1.871 nan 8.290 nan 0.000 0.740 805 T N -1.818 112.669 114.554 -0.111 0.000 3.169 805 T HA 0.270 4.619 4.350 -0.002 0.000 0.250 805 T C 0.641 175.383 174.700 0.069 0.000 1.111 805 T CA 0.573 62.642 62.100 -0.050 0.000 1.010 805 T CB 0.149 68.979 68.868 -0.064 0.000 0.984 805 T HN 0.523 nan 8.240 nan 0.000 0.537 806 S N 0.232 115.915 115.700 -0.029 0.000 2.607 806 S HA 0.455 4.924 4.470 -0.002 0.000 0.272 806 S C 0.012 174.488 174.600 -0.205 0.000 1.166 806 S CA -0.640 57.506 58.200 -0.090 0.000 1.021 806 S CB 0.745 63.877 63.200 -0.114 0.000 1.113 806 S HN 0.352 nan 8.310 nan 0.000 0.531 807 Q N 1.252 120.892 119.800 -0.267 0.000 2.382 807 Q HA 0.455 4.794 4.340 -0.002 0.000 0.229 807 Q C -2.361 173.529 176.000 -0.183 0.000 1.006 807 Q CA -1.406 54.218 55.803 -0.298 0.000 0.916 807 Q CB 0.050 28.628 28.738 -0.266 0.000 1.235 807 Q HN 0.391 nan 8.270 nan 0.000 0.512 808 P HA -0.032 nan 4.420 nan 0.000 0.269 808 P C -0.854 176.403 177.300 -0.071 0.000 1.215 808 P CA -0.094 62.946 63.100 -0.100 0.000 0.780 808 P CB 0.563 32.209 31.700 -0.089 0.000 0.898 809 S N 3.170 118.846 115.700 -0.040 0.000 2.596 809 S HA -0.054 4.415 4.470 -0.002 0.000 0.298 809 S C 1.463 176.072 174.600 0.015 0.000 1.255 809 S CA -0.295 57.901 58.200 -0.006 0.000 1.083 809 S CB -0.560 62.649 63.200 0.016 0.000 0.837 809 S HN 0.521 nan 8.310 nan 0.000 0.499 810 M N 5.544 125.164 119.600 0.033 0.000 2.080 810 M HA -0.064 4.414 4.480 -0.002 0.000 0.260 810 M C 1.949 178.303 176.300 0.090 0.000 1.068 810 M CA 2.404 57.739 55.300 0.059 0.000 1.109 810 M CB -1.230 31.426 32.600 0.094 0.000 1.342 810 M HN 0.878 nan 8.290 nan 0.000 0.405 811 G N -0.374 108.501 108.800 0.125 0.000 2.446 811 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.217 811 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.217 811 G C 1.522 176.483 174.900 0.102 0.000 1.168 811 G CA 1.194 46.379 45.100 0.141 0.000 0.771 811 G HN 0.659 nan 8.290 nan 0.000 0.551 812 A N 0.614 123.480 122.820 0.078 0.000 1.892 812 A HA -0.013 4.306 4.320 -0.002 0.000 0.218 812 A C 2.406 180.013 177.584 0.037 0.000 1.188 812 A CA 1.505 53.574 52.037 0.052 0.000 0.631 812 A CB -0.489 18.530 19.000 0.031 0.000 0.822 812 A HN 0.305 nan 8.150 nan 0.000 0.447 813 L N -0.345 120.895 121.223 0.028 0.000 2.017 813 L HA -0.140 4.198 4.340 -0.002 0.000 0.208 813 L C 2.701 179.587 176.870 0.027 0.000 1.073 813 L CA 1.622 56.472 54.840 0.017 0.000 0.745 813 L CB -1.201 40.860 42.059 0.003 0.000 0.894 813 L HN 0.278 nan 8.230 nan 0.000 0.432 814 V N 0.183 120.122 119.914 0.041 0.000 2.287 814 V HA -0.286 3.832 4.120 -0.002 0.000 0.248 814 V C 2.818 178.934 176.094 0.036 0.000 1.053 814 V CA 1.729 64.054 62.300 0.042 0.000 1.027 814 V CB -0.908 30.945 31.823 0.052 0.000 0.646 814 V HN 0.495 nan 8.190 nan 0.000 0.447 815 A N -1.353 121.495 122.820 0.046 0.000 1.933 815 A HA -0.249 4.070 4.320 -0.002 0.000 0.218 815 A C 2.173 179.780 177.584 0.038 0.000 1.175 815 A CA 2.141 54.208 52.037 0.049 0.000 0.628 815 A CB -1.011 18.033 19.000 0.074 0.000 0.814 815 A HN 0.610 nan 8.150 nan 0.000 0.444 816 C N -0.292 119.028 119.300 0.033 0.000 2.522 816 C HA 0.082 4.541 4.460 -0.002 0.000 0.271 816 C C 2.465 177.467 174.990 0.019 0.000 1.425 816 C CA 1.243 60.276 59.018 0.024 0.000 1.751 816 C CB -1.374 26.377 27.740 0.019 0.000 1.775 816 C HN 0.786 nan 8.230 nan 0.000 0.557 817 T N -3.028 111.538 114.554 0.021 0.000 3.044 817 T HA 0.151 4.500 4.350 -0.002 0.000 0.260 817 T C 0.589 175.301 174.700 0.021 0.000 1.019 817 T CA -0.240 61.871 62.100 0.019 0.000 0.921 817 T CB -0.072 68.808 68.868 0.019 0.000 1.053 817 T HN 0.354 nan 8.240 nan 0.000 0.533 818 R N 1.550 122.063 120.500 0.022 0.000 2.538 818 R HA 0.339 4.678 4.340 -0.002 0.000 0.282 818 R C 1.378 177.689 176.300 0.017 0.000 1.009 818 R CA 1.072 57.183 56.100 0.019 0.000 1.063 818 R CB -0.193 30.119 30.300 0.021 0.000 0.945 818 R HN 0.598 nan 8.270 nan 0.000 0.414 819 G N 2.598 111.406 108.800 0.014 0.000 2.198 819 G HA2 -0.274 3.684 3.960 -0.002 0.000 0.260 819 G HA3 -0.274 3.684 3.960 -0.002 0.000 0.260 819 G C -0.106 174.801 174.900 0.011 0.000 1.025 819 G CA 0.639 45.746 45.100 0.012 0.000 0.769 819 G HN 0.595 nan 8.290 nan 0.000 0.507 820 T N -0.539 114.022 114.554 0.012 0.000 2.907 820 T HA 0.568 4.917 4.350 -0.002 0.000 0.292 820 T C -1.219 173.488 174.700 0.011 0.000 1.043 820 T CA -1.000 61.106 62.100 0.011 0.000 1.003 820 T CB 2.533 71.408 68.868 0.012 0.000 1.084 820 T HN -0.142 nan 8.240 nan 0.000 0.483 821 P HA -0.035 nan 4.420 nan 0.000 0.218 821 P C 1.093 178.403 177.300 0.017 0.000 1.146 821 P CA 0.989 64.094 63.100 0.008 0.000 0.820 821 P CB 0.039 31.742 31.700 0.005 0.000 0.778 822 L N -1.727 119.507 121.223 0.019 0.000 2.599 822 L HA 0.033 4.372 4.340 -0.002 0.000 0.230 822 L C 0.917 177.809 176.870 0.037 0.000 1.141 822 L CA -0.106 54.749 54.840 0.026 0.000 0.877 822 L CB -0.786 41.282 42.059 0.015 0.000 1.009 822 L HN -0.009 nan 8.230 nan 0.000 0.447 823 D N 1.036 121.457 120.400 0.035 0.000 2.730 823 D HA -0.135 4.503 4.640 -0.002 0.000 0.225 823 D C 1.400 177.736 176.300 0.061 0.000 1.107 823 D CA 0.710 54.734 54.000 0.040 0.000 0.837 823 D CB 1.201 42.021 40.800 0.033 0.000 1.171 823 D HN 0.207 nan 8.370 nan 0.000 0.498 824 T N 0.580 115.166 114.554 0.053 0.000 3.055 824 T HA -0.052 4.297 4.350 -0.002 0.000 0.265 824 T C 1.160 175.905 174.700 0.075 0.000 1.111 824 T CA 0.692 62.829 62.100 0.063 0.000 1.118 824 T CB 0.030 68.928 68.868 0.050 0.000 0.909 824 T HN 0.649 nan 8.240 nan 0.000 0.501 825 E N -0.527 119.708 120.200 0.058 0.000 3.680 825 E HA -0.159 4.189 4.350 -0.002 0.000 0.309 825 E C -0.496 176.119 176.600 0.024 0.000 0.793 825 E CA 0.656 57.082 56.400 0.043 0.000 1.083 825 E CB -1.945 27.794 29.700 0.065 0.000 1.548 825 E HN 0.553 nan 8.360 nan 0.000 0.456 826 V N 2.013 121.947 119.914 0.033 0.000 2.470 826 V HA 0.235 4.354 4.120 -0.002 0.000 0.276 826 V C -1.657 174.423 176.094 -0.024 0.000 1.040 826 V CA -0.731 61.582 62.300 0.022 0.000 1.008 826 V CB 0.606 32.490 31.823 0.102 0.000 0.990 826 V HN 0.073 nan 8.190 nan 0.000 0.477 827 P HA 0.214 nan 4.420 nan 0.000 0.276 827 P C 0.796 177.999 177.300 -0.161 0.000 1.235 827 P CA -0.305 62.731 63.100 -0.105 0.000 0.772 827 P CB 0.996 32.627 31.700 -0.114 0.000 0.871 828 M N 1.338 120.802 119.600 -0.226 0.000 2.117 828 M HA -0.150 4.329 4.480 -0.002 0.000 0.262 828 M C 1.958 177.766 176.300 -0.819 0.000 1.065 828 M CA 1.702 56.705 55.300 -0.495 0.000 1.114 828 M CB -0.826 31.468 32.600 -0.510 0.000 1.361 828 M HN 0.558 nan 8.290 nan 0.000 0.408 829 E N 0.814 120.734 120.200 -0.466 0.000 2.114 829 E HA -0.275 4.074 4.350 -0.002 0.000 0.199 829 E C 1.936 178.513 176.600 -0.038 0.000 1.008 829 E CA 1.778 58.079 56.400 -0.165 0.000 0.810 829 E CB 0.043 29.748 29.700 0.007 0.000 0.739 829 E HN 0.287 nan 8.360 nan 0.000 0.456 830 R N 0.195 120.650 120.500 -0.075 0.000 2.096 830 R HA -0.112 4.227 4.340 -0.002 0.000 0.235 830 R C 2.414 178.836 176.300 0.205 0.000 1.127 830 R CA 1.191 57.291 56.100 -0.001 0.000 0.968 830 R CB -1.033 29.072 30.300 -0.326 0.000 0.861 830 R HN 0.309 nan 8.270 nan 0.000 0.440 831 V N -0.320 119.690 119.914 0.159 0.000 2.453 831 V HA -0.120 3.999 4.120 -0.002 0.000 0.247 831 V C 1.739 178.100 176.094 0.444 0.000 1.048 831 V CA 1.374 63.920 62.300 0.409 0.000 1.049 831 V CB -0.407 31.583 31.823 0.278 0.000 0.672 831 V HN 0.282 nan 8.190 nan 0.000 0.457 832 F N 0.813 120.915 119.950 0.254 0.000 2.069 832 F HA -0.182 4.343 4.527 -0.003 0.000 0.298 832 F C 2.486 178.403 175.800 0.195 0.000 1.113 832 F CA 1.650 59.763 58.000 0.189 0.000 1.214 832 F CB -0.464 38.614 39.000 0.131 0.000 0.978 832 F HN 0.228 nan 8.300 nan 0.000 0.474 833 D N -0.850 119.784 120.400 0.389 0.000 2.178 833 D HA -0.180 4.458 4.640 -0.002 0.000 0.202 833 D C 1.732 178.148 176.300 0.194 0.000 0.974 833 D CA 0.946 55.070 54.000 0.207 0.000 0.841 833 D CB -0.518 40.340 40.800 0.097 0.000 0.953 833 D HN 0.262 nan 8.370 nan 0.000 0.478 834 Y N 1.226 121.670 120.300 0.239 0.000 2.184 834 Y HA -0.105 4.444 4.550 -0.002 0.000 0.290 834 Y C 2.504 178.680 175.900 0.461 0.000 1.129 834 Y CA 1.190 59.518 58.100 0.380 0.000 1.144 834 Y CB -0.556 38.329 38.460 0.709 0.000 0.995 834 Y HN -0.144 nan 8.280 nan 0.000 0.513 835 S N -0.344 115.588 115.700 0.386 0.000 2.419 835 S HA -0.181 4.288 4.470 -0.002 0.000 0.233 835 S C 2.017 176.735 174.600 0.197 0.000 1.016 835 S CA 1.392 59.739 58.200 0.245 0.000 0.974 835 S CB -0.425 62.931 63.200 0.260 0.000 0.786 835 S HN 0.631 nan 8.310 nan 0.000 0.492 836 E N -0.819 119.494 120.200 0.188 0.000 2.371 836 E HA -0.076 4.272 4.350 -0.002 0.000 0.194 836 E C 1.538 178.173 176.600 0.058 0.000 1.012 836 E CA 0.323 56.786 56.400 0.106 0.000 0.860 836 E CB -0.095 29.665 29.700 0.100 0.000 0.811 836 E HN 0.767 nan 8.360 nan 0.000 0.502 837 Y N -0.539 119.729 120.300 -0.053 0.000 2.184 837 Y HA -0.175 4.374 4.550 -0.002 0.000 0.290 837 Y C 1.569 177.327 175.900 -0.236 0.000 1.129 837 Y CA 1.685 59.666 58.100 -0.198 0.000 1.144 837 Y CB -0.678 37.588 38.460 -0.324 0.000 0.995 837 Y HN 0.011 nan 8.280 nan 0.000 0.513 838 W N 1.226 122.386 121.300 -0.234 0.000 2.465 838 W HA -0.055 4.603 4.660 -0.002 0.000 0.268 838 W C 2.461 178.838 176.519 -0.237 0.000 1.242 838 W CA 1.240 58.400 57.345 -0.308 0.000 1.248 838 W CB -0.128 29.212 29.460 -0.201 0.000 1.118 838 W HN 0.195 nan 8.180 nan 0.000 0.587 839 E N 0.031 120.251 120.200 0.033 0.000 2.077 839 E HA -0.154 4.195 4.350 -0.002 0.000 0.193 839 E C 2.446 179.012 176.600 -0.056 0.000 0.989 839 E CA 1.473 57.878 56.400 0.009 0.000 0.800 839 E CB -0.490 29.217 29.700 0.011 0.000 0.746 839 E HN 0.268 nan 8.360 nan 0.000 0.452 840 G N 0.574 109.276 108.800 -0.163 0.000 2.404 840 G HA2 -0.212 3.746 3.960 -0.002 0.000 0.215 840 G HA3 -0.212 3.746 3.960 -0.002 0.000 0.215 840 G C 1.633 176.403 174.900 -0.218 0.000 1.174 840 G CA 0.822 45.805 45.100 -0.196 0.000 0.780 840 G HN 0.393 nan 8.290 nan 0.000 0.537 841 A N 0.706 123.285 122.820 -0.403 0.000 1.877 841 A HA -0.014 4.305 4.320 -0.002 0.000 0.216 841 A C 2.314 179.969 177.584 0.119 0.000 1.186 841 A CA 1.856 53.738 52.037 -0.259 0.000 0.620 841 A CB -0.510 18.134 19.000 -0.593 0.000 0.822 841 A HN 0.342 nan 8.150 nan 0.000 0.443 842 R N -0.494 120.095 120.500 0.147 0.000 2.105 842 R HA -0.147 4.191 4.340 -0.002 0.000 0.239 842 R C 2.227 178.637 176.300 0.183 0.000 1.135 842 R CA 1.591 57.813 56.100 0.203 0.000 0.967 842 R CB -0.774 29.600 30.300 0.125 0.000 0.861 842 R HN 0.482 nan 8.270 nan 0.000 0.442 843 G N 1.240 110.088 108.800 0.080 0.000 2.505 843 G HA2 -0.271 3.687 3.960 -0.002 0.000 0.220 843 G HA3 -0.271 3.687 3.960 -0.002 0.000 0.220 843 G C 1.387 176.306 174.900 0.031 0.000 1.145 843 G CA 1.047 46.169 45.100 0.037 0.000 0.761 843 G HN 0.315 nan 8.290 nan 0.000 0.571 844 L N -1.314 119.923 121.223 0.023 0.000 2.456 844 L HA 0.054 4.393 4.340 -0.002 0.000 0.224 844 L C 1.270 178.016 176.870 -0.207 0.000 1.148 844 L CA 0.456 55.222 54.840 -0.122 0.000 0.825 844 L CB -0.126 41.801 42.059 -0.220 0.000 0.937 844 L HN 0.210 nan 8.230 nan 0.000 0.450 845 Y N -1.096 119.249 120.300 0.075 0.000 2.751 845 Y HA 0.350 4.898 4.550 -0.003 0.000 0.289 845 Y C 1.826 177.784 175.900 0.096 0.000 1.110 845 Y CA -0.160 58.041 58.100 0.169 0.000 1.251 845 Y CB -0.055 38.516 38.460 0.185 0.000 1.178 845 Y HN 0.006 nan 8.280 nan 0.000 0.540 846 A N 0.549 123.415 122.820 0.077 0.000 1.940 846 A HA -0.192 4.127 4.320 -0.002 0.000 0.219 846 A C 2.420 179.941 177.584 -0.105 0.000 1.176 846 A CA 1.822 53.858 52.037 -0.001 0.000 0.631 846 A CB -0.757 18.223 19.000 -0.033 0.000 0.814 846 A HN 0.486 nan 8.150 nan 0.000 0.446 847 A N -1.672 120.984 122.820 -0.274 0.000 2.131 847 A HA 0.028 4.347 4.320 -0.002 0.000 0.220 847 A C 1.398 178.530 177.584 -0.753 0.000 1.158 847 A CA 1.400 53.076 52.037 -0.602 0.000 0.665 847 A CB -0.642 17.790 19.000 -0.946 0.000 0.795 847 A HN 0.591 nan 8.150 nan 0.000 0.460 848 F N -1.105 118.813 119.950 -0.053 0.000 2.724 848 F HA 0.237 4.762 4.527 -0.003 0.000 0.310 848 F C 0.296 176.016 175.800 -0.134 0.000 1.107 848 F CA -0.993 56.933 58.000 -0.124 0.000 1.218 848 F CB 0.536 39.509 39.000 -0.045 0.000 1.042 848 F HN 0.007 nan 8.300 nan 0.000 0.540 849 D N 1.308 121.723 120.400 0.026 0.000 2.312 849 D HA 0.028 4.667 4.640 -0.002 0.000 0.252 849 D C 1.442 177.718 176.300 -0.040 0.000 1.150 849 D CA 0.015 54.024 54.000 0.016 0.000 0.870 849 D CB 1.509 42.328 40.800 0.032 0.000 1.153 849 D HN 0.416 nan 8.370 nan 0.000 0.457 850 C N 1.935 121.212 119.300 -0.038 0.000 2.419 850 C HA -0.100 4.358 4.460 -0.002 0.000 0.283 850 C C 2.236 177.235 174.990 0.015 0.000 1.373 850 C CA 0.965 59.966 59.018 -0.028 0.000 1.781 850 C CB -1.701 26.022 27.740 -0.029 0.000 1.886 850 C HN 0.723 nan 8.230 nan 0.000 0.520 851 T N -1.027 113.529 114.554 0.004 0.000 3.155 851 T HA 0.214 4.562 4.350 -0.002 0.000 0.264 851 T C 1.788 176.512 174.700 0.041 0.000 1.160 851 T CA 1.169 63.276 62.100 0.012 0.000 1.075 851 T CB -0.457 68.411 68.868 0.000 0.000 0.921 851 T HN 0.785 nan 8.240 nan 0.000 0.533 852 A N 2.479 125.336 122.820 0.062 0.000 1.873 852 A HA -0.102 4.217 4.320 -0.002 0.000 0.218 852 A C 2.724 180.388 177.584 0.134 0.000 1.193 852 A CA 2.491 54.591 52.037 0.104 0.000 0.629 852 A CB -1.306 17.787 19.000 0.156 0.000 0.826 852 A HN 0.745 nan 8.150 nan 0.000 0.447 853 T N -4.822 109.842 114.554 0.184 0.000 3.042 853 T HA 0.359 4.707 4.350 -0.002 0.000 0.245 853 T C 0.811 175.603 174.700 0.154 0.000 1.029 853 T CA 0.443 62.639 62.100 0.161 0.000 1.120 853 T CB -0.125 68.820 68.868 0.129 0.000 0.917 853 T HN 0.207 nan 8.240 nan 0.000 0.467 854 M N 2.257 121.904 119.600 0.079 0.000 2.077 854 M HA 0.363 4.842 4.480 -0.002 0.000 0.348 854 M C 0.174 176.425 176.300 -0.082 0.000 1.252 854 M CA -0.572 54.642 55.300 -0.143 0.000 1.096 854 M CB 0.856 33.273 32.600 -0.305 0.000 1.568 854 M HN -0.062 nan 8.290 nan 0.000 0.456 855 K N 1.658 122.018 120.400 -0.066 0.000 2.353 855 K HA 0.218 4.536 4.320 -0.002 0.000 0.195 855 K C 0.037 176.604 176.600 -0.054 0.000 1.031 855 K CA 0.191 56.457 56.287 -0.036 0.000 1.079 855 K CB 0.326 32.825 32.500 -0.000 0.000 0.857 855 K HN 0.757 nan 8.250 nan 0.000 0.535 856 S N -1.506 114.139 115.700 -0.092 0.000 2.643 856 S HA 0.506 4.975 4.470 -0.002 0.000 0.266 856 S C -0.063 174.445 174.600 -0.152 0.000 1.130 856 S CA -0.566 57.577 58.200 -0.096 0.000 0.817 856 S CB 0.795 63.959 63.200 -0.060 0.000 1.107 856 S HN 0.092 nan 8.310 nan 0.000 0.471 857 G N 0.421 109.131 108.800 -0.150 0.000 2.621 857 G HA2 0.502 4.460 3.960 -0.002 0.000 0.271 857 G HA3 0.502 4.460 3.960 -0.002 0.000 0.271 857 G C -0.632 174.152 174.900 -0.193 0.000 1.236 857 G CA -0.346 44.626 45.100 -0.215 0.000 0.958 857 G HN 0.875 nan 8.290 nan 0.000 0.512 858 N N -1.782 116.766 118.700 -0.254 0.000 2.478 858 N HA 0.120 4.859 4.740 -0.002 0.000 0.291 858 N C 0.842 176.266 175.510 -0.144 0.000 1.090 858 N CA -0.051 52.908 53.050 -0.153 0.000 0.911 858 N CB 1.855 40.283 38.487 -0.098 0.000 1.546 858 N HN 0.322 nan 8.380 nan 0.000 0.500 859 S N 1.385 117.058 115.700 -0.044 0.000 2.547 859 S HA -0.141 4.328 4.470 -0.002 0.000 0.235 859 S C 0.938 175.553 174.600 0.025 0.000 0.980 859 S CA 0.962 59.165 58.200 0.005 0.000 0.941 859 S CB -0.293 63.004 63.200 0.162 0.000 0.763 859 S HN 0.671 nan 8.310 nan 0.000 0.532 860 D N 1.830 122.244 120.400 0.023 0.000 2.378 860 D HA -0.047 4.591 4.640 -0.002 0.000 0.227 860 D C 1.545 177.862 176.300 0.028 0.000 1.012 860 D CA 0.318 54.356 54.000 0.063 0.000 0.905 860 D CB -0.757 40.085 40.800 0.070 0.000 0.895 860 D HN 0.366 nan 8.370 nan 0.000 0.532 861 V N 0.051 119.916 119.914 -0.081 0.000 2.439 861 V HA -0.326 3.793 4.120 -0.002 0.000 0.253 861 V C 1.960 177.978 176.094 -0.127 0.000 1.074 861 V CA 1.664 63.889 62.300 -0.125 0.000 1.076 861 V CB -1.319 30.312 31.823 -0.321 0.000 0.664 861 V HN 0.239 nan 8.190 nan 0.000 0.461 862 Y N 0.200 120.519 120.300 0.031 0.000 2.352 862 Y HA -0.167 4.381 4.550 -0.003 0.000 0.292 862 Y C 2.639 178.555 175.900 0.025 0.000 1.136 862 Y CA 1.650 59.767 58.100 0.028 0.000 1.227 862 Y CB 0.015 38.490 38.460 0.025 0.000 0.991 862 Y HN 0.326 nan 8.280 nan 0.000 0.545 863 E N 0.475 120.763 120.200 0.147 0.000 2.079 863 E HA -0.133 4.216 4.350 -0.002 0.000 0.191 863 E C 1.810 178.442 176.600 0.052 0.000 0.961 863 E CA 0.893 57.345 56.400 0.088 0.000 0.823 863 E CB -0.087 29.650 29.700 0.062 0.000 0.789 863 E HN 0.614 nan 8.360 nan 0.000 0.459 864 N N -0.103 118.604 118.700 0.013 0.000 2.395 864 N HA -0.109 4.630 4.740 -0.002 0.000 0.175 864 N C -0.144 175.357 175.510 -0.015 0.000 1.029 864 N CA 0.788 53.819 53.050 -0.031 0.000 0.897 864 N CB 0.081 38.460 38.487 -0.180 0.000 0.991 864 N HN 0.105 nan 8.380 nan 0.000 0.441 865 E N 0.109 120.305 120.200 -0.006 0.000 2.971 865 E HA -0.172 4.177 4.350 -0.002 0.000 0.278 865 E C -0.653 175.943 176.600 -0.008 0.000 1.009 865 E CA 0.324 56.734 56.400 0.017 0.000 0.862 865 E CB -1.685 28.055 29.700 0.066 0.000 1.436 865 E HN 0.559 nan 8.360 nan 0.000 0.434 866 I N 2.679 123.155 120.570 -0.156 0.000 2.517 866 I HA 0.095 4.263 4.170 -0.002 0.000 0.285 866 I C -1.506 174.593 176.117 -0.031 0.000 1.106 866 I CA -1.664 59.484 61.300 -0.255 0.000 1.402 866 I CB 0.081 37.730 38.000 -0.584 0.000 1.399 866 I HN -0.171 nan 8.210 nan 0.000 0.535 867 P HA -0.001 nan 4.420 nan 0.000 0.269 867 P C 0.865 178.104 177.300 -0.102 0.000 1.215 867 P CA -0.038 63.007 63.100 -0.091 0.000 0.780 867 P CB 0.711 32.367 31.700 -0.074 0.000 0.898 868 G N 2.753 111.382 108.800 -0.285 0.000 2.672 868 G HA2 -0.340 3.618 3.960 -0.002 0.000 0.218 868 G HA3 -0.340 3.618 3.960 -0.002 0.000 0.218 868 G C 1.751 176.615 174.900 -0.059 0.000 1.238 868 G CA 1.315 46.291 45.100 -0.207 0.000 0.791 868 G HN 0.626 nan 8.290 nan 0.000 0.606 869 G N 0.184 108.933 108.800 -0.086 0.000 2.649 869 G HA2 -0.394 3.564 3.960 -0.002 0.000 0.220 869 G HA3 -0.394 3.564 3.960 -0.002 0.000 0.220 869 G C 1.771 176.692 174.900 0.036 0.000 1.189 869 G CA 1.633 46.728 45.100 -0.009 0.000 0.777 869 G HN 0.581 nan 8.290 nan 0.000 0.602 870 Q N -1.001 118.824 119.800 0.041 0.000 2.030 870 Q HA -0.203 4.136 4.340 -0.002 0.000 0.204 870 Q C 2.287 178.349 176.000 0.103 0.000 0.986 870 Q CA 1.735 57.579 55.803 0.068 0.000 0.843 870 Q CB -0.404 28.372 28.738 0.063 0.000 0.904 870 Q HN 0.640 nan 8.270 nan 0.000 0.420 871 Y N 0.616 120.911 120.300 -0.008 0.000 2.132 871 Y HA -0.345 4.204 4.550 -0.002 0.000 0.280 871 Y C 2.341 178.281 175.900 0.067 0.000 1.193 871 Y CA 2.083 60.212 58.100 0.050 0.000 1.157 871 Y CB -0.179 38.269 38.460 -0.020 0.000 0.966 871 Y HN 0.255 nan 8.280 nan 0.000 0.511 872 T N 0.154 114.844 114.554 0.228 0.000 2.708 872 T HA -0.182 4.167 4.350 -0.002 0.000 0.266 872 T C 1.496 176.281 174.700 0.142 0.000 1.037 872 T CA 1.472 63.659 62.100 0.144 0.000 1.146 872 T CB -0.315 68.587 68.868 0.056 0.000 0.865 872 T HN 0.402 nan 8.240 nan 0.000 0.435 873 N N 1.551 120.316 118.700 0.109 0.000 2.106 873 N HA 0.055 4.793 4.740 -0.002 0.000 0.188 873 N C 1.943 177.511 175.510 0.097 0.000 1.029 873 N CA 0.819 53.935 53.050 0.110 0.000 0.848 873 N CB -0.573 37.965 38.487 0.085 0.000 1.007 873 N HN 0.326 nan 8.380 nan 0.000 0.423 874 L N 0.439 121.696 121.223 0.057 0.000 2.141 874 L HA -0.111 4.227 4.340 -0.002 0.000 0.209 874 L C 2.515 179.159 176.870 -0.377 0.000 1.094 874 L CA 0.870 55.708 54.840 -0.003 0.000 0.763 874 L CB -0.525 41.628 42.059 0.156 0.000 0.908 874 L HN 0.351 nan 8.230 nan 0.000 0.437 875 H N -0.070 118.654 119.070 -0.578 0.000 2.293 875 H HA -0.254 4.301 4.556 -0.002 0.000 0.300 875 H C 2.246 177.317 175.328 -0.428 0.000 1.082 875 H CA 2.185 57.670 56.048 -0.938 0.000 1.308 875 H CB -0.105 29.435 29.762 -0.370 0.000 1.375 875 H HN 0.261 nan 8.280 nan 0.000 0.495 876 F N 1.948 121.768 119.950 -0.216 0.000 2.095 876 F HA -0.217 4.309 4.527 -0.002 0.000 0.298 876 F C 2.777 178.479 175.800 -0.163 0.000 1.104 876 F CA 1.786 59.697 58.000 -0.149 0.000 1.232 876 F CB -0.448 38.526 39.000 -0.043 0.000 0.987 876 F HN 0.209 nan 8.300 nan 0.000 0.475 877 Q N -0.407 119.304 119.800 -0.150 0.000 2.181 877 Q HA -0.203 4.136 4.340 -0.002 0.000 0.205 877 Q C 2.291 178.136 176.000 -0.258 0.000 0.980 877 Q CA 1.501 57.193 55.803 -0.186 0.000 0.862 877 Q CB -0.364 28.350 28.738 -0.040 0.000 0.905 877 Q HN 0.566 nan 8.270 nan 0.000 0.429 878 A N -0.439 122.192 122.820 -0.314 0.000 1.887 878 A HA -0.100 4.219 4.320 -0.002 0.000 0.212 878 A C 1.456 178.870 177.584 -0.284 0.000 1.198 878 A CA 0.960 52.847 52.037 -0.251 0.000 0.628 878 A CB -0.445 18.430 19.000 -0.209 0.000 0.847 878 A HN 0.272 nan 8.150 nan 0.000 0.449 879 H N -0.549 118.222 119.070 -0.499 0.000 2.326 879 H HA -0.046 4.509 4.556 -0.002 0.000 0.301 879 H C 2.650 177.749 175.328 -0.381 0.000 1.081 879 H CA 1.696 57.499 56.048 -0.407 0.000 1.334 879 H CB -0.171 29.309 29.762 -0.470 0.000 1.385 879 H HN 0.484 nan 8.280 nan 0.000 0.504 880 S N -0.308 115.115 115.700 -0.461 0.000 2.363 880 S HA -0.100 4.369 4.470 -0.002 0.000 0.218 880 S C 0.958 175.351 174.600 -0.344 0.000 1.035 880 S CA 1.042 58.891 58.200 -0.584 0.000 1.043 880 S CB -0.066 62.297 63.200 -1.395 0.000 0.986 880 S HN 0.179 nan 8.310 nan 0.000 0.423 881 M N 1.505 120.910 119.600 -0.324 0.000 2.036 881 M HA 0.492 4.970 4.480 -0.002 0.000 0.337 881 M C 0.305 176.507 176.300 -0.164 0.000 1.012 881 M CA -0.018 55.166 55.300 -0.194 0.000 0.962 881 M CB 0.435 32.945 32.600 -0.150 0.000 1.423 881 M HN 0.665 nan 8.290 nan 0.000 0.405 882 G N 2.803 111.517 108.800 -0.143 0.000 2.491 882 G HA2 0.224 4.182 3.960 -0.002 0.000 0.183 882 G HA3 0.224 4.182 3.960 -0.002 0.000 0.183 882 G C -1.634 173.189 174.900 -0.128 0.000 1.221 882 G CA -0.779 44.245 45.100 -0.127 0.000 0.996 882 G HN 0.491 nan 8.290 nan 0.000 0.474 883 L N 1.561 122.699 121.223 -0.141 0.000 2.527 883 L HA 0.466 4.804 4.340 -0.002 0.000 0.261 883 L C 1.447 178.201 176.870 -0.194 0.000 1.534 883 L CA 0.471 55.226 54.840 -0.142 0.000 0.757 883 L CB 0.471 42.473 42.059 -0.095 0.000 0.999 883 L HN 1.871 nan 8.230 nan 0.000 0.517 884 G N 1.375 109.974 108.800 -0.336 0.000 4.728 884 G HA2 -0.485 3.473 3.960 -0.002 0.000 0.233 884 G HA3 -0.485 3.473 3.960 -0.002 0.000 0.233 884 G C 1.083 175.771 174.900 -0.354 0.000 1.486 884 G CA 1.217 45.969 45.100 -0.579 0.000 1.349 884 G HN 0.634 nan 8.290 nan 0.000 0.779 885 S N 1.603 117.209 115.700 -0.158 0.000 2.650 885 S HA 0.167 4.636 4.470 -0.002 0.000 0.219 885 S C 1.710 176.303 174.600 -0.010 0.000 0.960 885 S CA 1.324 59.496 58.200 -0.047 0.000 0.925 885 S CB 0.072 63.252 63.200 -0.033 0.000 0.775 885 S HN 1.101 nan 8.310 nan 0.000 0.525 886 K N 0.419 120.805 120.400 -0.023 0.000 2.486 886 K HA 0.074 4.393 4.320 -0.002 0.000 0.194 886 K C 1.510 178.174 176.600 0.106 0.000 1.033 886 K CA 0.386 56.680 56.287 0.012 0.000 1.004 886 K CB -0.432 32.055 32.500 -0.022 0.000 0.798 886 K HN 0.466 nan 8.250 nan 0.000 0.495 887 F N 2.021 121.929 119.950 -0.070 0.000 2.293 887 F HA -0.009 4.517 4.527 -0.002 0.000 0.297 887 F C 2.397 178.184 175.800 -0.022 0.000 1.089 887 F CA 0.426 58.406 58.000 -0.034 0.000 1.377 887 F CB 0.220 39.231 39.000 0.019 0.000 1.051 887 F HN -0.049 nan 8.300 nan 0.000 0.511 888 K N 0.778 121.164 120.400 -0.024 0.000 2.063 888 K HA -0.251 4.067 4.320 -0.002 0.000 0.208 888 K C 1.745 178.278 176.600 -0.112 0.000 1.048 888 K CA 2.098 58.316 56.287 -0.115 0.000 0.928 888 K CB -0.143 32.335 32.500 -0.037 0.000 0.713 888 K HN 0.370 nan 8.250 nan 0.000 0.442 889 E N -0.151 120.020 120.200 -0.048 0.000 2.047 889 E HA -0.154 4.194 4.350 -0.002 0.000 0.191 889 E C 1.996 178.578 176.600 -0.029 0.000 0.987 889 E CA 1.221 57.602 56.400 -0.031 0.000 0.799 889 E CB 0.077 29.770 29.700 -0.011 0.000 0.752 889 E HN 0.063 nan 8.360 nan 0.000 0.449 890 V N 2.360 122.268 119.914 -0.010 0.000 2.295 890 V HA -0.296 3.823 4.120 -0.002 0.000 0.246 890 V C 2.273 178.352 176.094 -0.025 0.000 1.049 890 V CA 2.260 64.577 62.300 0.027 0.000 1.024 890 V CB -0.484 31.423 31.823 0.141 0.000 0.648 890 V HN 0.348 nan 8.190 nan 0.000 0.447 891 K N -0.052 120.219 120.400 -0.215 0.000 2.228 891 K HA -0.079 4.239 4.320 -0.002 0.000 0.202 891 K C 1.848 178.388 176.600 -0.101 0.000 1.051 891 K CA 0.956 57.090 56.287 -0.255 0.000 0.960 891 K CB -0.215 31.918 32.500 -0.611 0.000 0.743 891 K HN 0.315 nan 8.250 nan 0.000 0.458 892 K N 0.541 120.887 120.400 -0.091 0.000 2.432 892 K HA 0.092 4.410 4.320 -0.002 0.000 0.196 892 K C 1.799 178.396 176.600 -0.005 0.000 1.038 892 K CA 0.692 56.955 56.287 -0.039 0.000 0.986 892 K CB 0.259 32.732 32.500 -0.046 0.000 0.782 892 K HN 0.256 nan 8.250 nan 0.000 0.485 893 A N -0.066 122.761 122.820 0.011 0.000 2.095 893 A HA -0.040 4.278 4.320 -0.002 0.000 0.212 893 A C 1.761 179.373 177.584 0.046 0.000 1.162 893 A CA 0.218 52.269 52.037 0.023 0.000 0.753 893 A CB -0.263 18.753 19.000 0.025 0.000 0.840 893 A HN 0.302 nan 8.150 nan 0.000 0.468 894 Y N 0.181 120.442 120.300 -0.065 0.000 2.163 894 Y HA -0.158 4.391 4.550 -0.002 0.000 0.288 894 Y C 2.324 178.185 175.900 -0.064 0.000 1.136 894 Y CA 1.900 59.961 58.100 -0.065 0.000 1.147 894 Y CB -0.049 38.357 38.460 -0.091 0.000 0.987 894 Y HN 0.076 nan 8.280 nan 0.000 0.509 895 V N 0.700 120.717 119.914 0.171 0.000 2.324 895 V HA -0.351 3.767 4.120 -0.002 0.000 0.250 895 V C 2.073 178.170 176.094 0.005 0.000 1.060 895 V CA 2.446 64.797 62.300 0.086 0.000 1.042 895 V CB -0.513 31.338 31.823 0.047 0.000 0.650 895 V HN 0.484 nan 8.190 nan 0.000 0.450 896 E N -0.153 120.037 120.200 -0.017 0.000 2.028 896 E HA -0.134 4.214 4.350 -0.002 0.000 0.190 896 E C 2.374 178.913 176.600 -0.102 0.000 0.984 896 E CA 1.107 57.476 56.400 -0.051 0.000 0.800 896 E CB -0.381 29.295 29.700 -0.040 0.000 0.758 896 E HN 0.574 nan 8.360 nan 0.000 0.448 897 A N 1.846 124.593 122.820 -0.121 0.000 1.958 897 A HA -0.336 3.982 4.320 -0.002 0.000 0.221 897 A C 1.920 179.370 177.584 -0.224 0.000 1.178 897 A CA 2.209 54.135 52.037 -0.185 0.000 0.642 897 A CB -0.922 17.946 19.000 -0.220 0.000 0.816 897 A HN 0.242 nan 8.150 nan 0.000 0.453 898 N N -0.749 117.828 118.700 -0.205 0.000 2.039 898 N HA -0.208 4.531 4.740 -0.002 0.000 0.193 898 N C 1.879 177.321 175.510 -0.112 0.000 1.044 898 N CA 2.091 55.041 53.050 -0.165 0.000 0.847 898 N CB -0.314 38.122 38.487 -0.085 0.000 1.030 898 N HN 0.585 nan 8.380 nan 0.000 0.422 899 Q N -0.874 118.875 119.800 -0.084 0.000 2.436 899 Q HA 0.068 4.407 4.340 -0.002 0.000 0.209 899 Q C 1.855 177.791 176.000 -0.106 0.000 0.965 899 Q CA 0.488 56.248 55.803 -0.070 0.000 0.910 899 Q CB 0.053 28.763 28.738 -0.046 0.000 0.980 899 Q HN 0.499 nan 8.270 nan 0.000 0.491 900 M N -0.664 118.835 119.600 -0.168 0.000 2.200 900 M HA -0.112 4.367 4.480 -0.002 0.000 0.265 900 M C 0.853 176.985 176.300 -0.280 0.000 1.066 900 M CA 0.971 56.094 55.300 -0.294 0.000 1.127 900 M CB 0.329 32.692 32.600 -0.395 0.000 1.379 900 M HN 0.200 nan 8.290 nan 0.000 0.420 901 L N -0.546 120.573 121.223 -0.174 0.000 2.611 901 L HA 0.288 4.627 4.340 -0.002 0.000 0.229 901 L C 1.012 177.914 176.870 0.054 0.000 1.137 901 L CA 0.899 55.718 54.840 -0.035 0.000 0.901 901 L CB 0.007 41.962 42.059 -0.173 0.000 1.098 901 L HN 0.505 nan 8.230 nan 0.000 0.456 902 G N -0.668 108.131 108.800 -0.002 0.000 2.175 902 G HA2 -0.203 3.755 3.960 -0.002 0.000 0.182 902 G HA3 -0.203 3.755 3.960 -0.002 0.000 0.182 902 G C 0.133 175.021 174.900 -0.019 0.000 1.003 902 G CA -0.127 44.974 45.100 0.002 0.000 0.666 902 G HN 0.328 nan 8.290 nan 0.000 0.506 903 D N -0.605 119.786 120.400 -0.015 0.000 3.830 903 D HA -0.128 4.511 4.640 -0.002 0.000 0.247 903 D C 0.447 176.822 176.300 0.124 0.000 1.073 903 D CA 1.159 55.179 54.000 0.032 0.000 1.116 903 D CB -1.181 39.627 40.800 0.013 0.000 0.909 903 D HN 0.777 nan 8.370 nan 0.000 0.418 904 L N 1.946 123.207 121.223 0.063 0.000 2.358 904 L HA 0.606 4.945 4.340 -0.002 0.000 0.268 904 L C 1.053 177.910 176.870 -0.021 0.000 1.032 904 L CA -1.459 53.414 54.840 0.056 0.000 0.805 904 L CB 0.795 42.826 42.059 -0.046 0.000 1.253 904 L HN 0.150 nan 8.230 nan 0.000 0.452 905 I N 1.256 121.781 120.570 -0.076 0.000 2.441 905 I HA 0.094 4.263 4.170 -0.002 0.000 0.287 905 I C 0.053 176.157 176.117 -0.021 0.000 1.049 905 I CA 0.346 61.559 61.300 -0.146 0.000 1.381 905 I CB 0.362 38.294 38.000 -0.114 0.000 1.409 905 I HN 0.378 nan 8.210 nan 0.000 0.523 906 K N 6.265 126.666 120.400 0.001 0.000 2.478 906 K HA 0.574 4.893 4.320 -0.002 0.000 0.236 906 K C -1.078 175.572 176.600 0.084 0.000 1.021 906 K CA -0.382 55.936 56.287 0.051 0.000 1.010 906 K CB 1.092 33.647 32.500 0.093 0.000 1.331 906 K HN 0.398 nan 8.250 nan 0.000 0.470 907 V N -0.640 119.348 119.914 0.123 0.000 3.139 907 V HA 0.418 4.536 4.120 -0.002 0.000 0.310 907 V C 0.338 176.556 176.094 0.207 0.000 1.260 907 V CA -1.169 61.231 62.300 0.167 0.000 1.064 907 V CB 1.718 33.710 31.823 0.282 0.000 1.160 907 V HN 0.438 nan 8.190 nan 0.000 0.470 908 T N 2.950 117.671 114.554 0.278 0.000 2.907 908 T HA 0.265 4.613 4.350 -0.002 0.000 0.298 908 T C -1.813 173.048 174.700 0.269 0.000 1.017 908 T CA -0.494 61.767 62.100 0.269 0.000 1.118 908 T CB 1.228 70.281 68.868 0.308 0.000 0.948 908 T HN 0.679 nan 8.240 nan 0.000 0.531 909 P HA 0.025 nan 4.420 nan 0.000 0.249 909 P C 1.447 178.795 177.300 0.081 0.000 1.229 909 P CA 0.202 63.390 63.100 0.146 0.000 0.788 909 P CB -0.082 31.711 31.700 0.155 0.000 1.072 910 S N 0.694 116.442 115.700 0.079 0.000 2.387 910 S HA -0.199 4.269 4.470 -0.002 0.000 0.230 910 S C 2.075 176.638 174.600 -0.060 0.000 1.035 910 S CA 1.907 60.102 58.200 -0.009 0.000 1.014 910 S CB -1.638 61.570 63.200 0.014 0.000 0.836 910 S HN 0.345 nan 8.310 nan 0.000 0.466 911 S N 2.311 118.026 115.700 0.024 0.000 2.383 911 S HA -0.011 4.457 4.470 -0.002 0.000 0.227 911 S C 1.825 176.445 174.600 0.034 0.000 1.026 911 S CA 0.759 58.995 58.200 0.060 0.000 0.981 911 S CB -0.500 62.785 63.200 0.142 0.000 0.818 911 S HN 0.540 nan 8.310 nan 0.000 0.472 912 K N 0.692 121.106 120.400 0.023 0.000 2.063 912 K HA -0.042 4.276 4.320 -0.002 0.000 0.208 912 K C 1.996 178.563 176.600 -0.056 0.000 1.048 912 K CA 1.530 57.812 56.287 -0.009 0.000 0.928 912 K CB -0.505 31.967 32.500 -0.045 0.000 0.713 912 K HN 0.323 nan 8.250 nan 0.000 0.442 913 I N 0.458 120.971 120.570 -0.095 0.000 2.142 913 I HA -0.258 3.911 4.170 -0.002 0.000 0.240 913 I C 2.333 178.315 176.117 -0.225 0.000 1.078 913 I CA 1.011 62.215 61.300 -0.160 0.000 1.343 913 I CB -0.546 37.311 38.000 -0.239 0.000 1.046 913 I HN -0.047 nan 8.210 nan 0.000 0.405 914 V N 0.536 120.263 119.914 -0.311 0.000 2.407 914 V HA -0.180 3.938 4.120 -0.002 0.000 0.248 914 V C 2.324 178.155 176.094 -0.438 0.000 1.055 914 V CA 2.232 64.270 62.300 -0.435 0.000 1.049 914 V CB -0.948 30.522 31.823 -0.588 0.000 0.662 914 V HN 0.525 nan 8.190 nan 0.000 0.455 915 G N -0.952 107.676 108.800 -0.287 0.000 2.422 915 G HA2 -0.239 3.719 3.960 -0.002 0.000 0.218 915 G HA3 -0.239 3.719 3.960 -0.002 0.000 0.218 915 G C 1.211 176.118 174.900 0.011 0.000 1.146 915 G CA 0.949 46.030 45.100 -0.032 0.000 0.769 915 G HN 0.563 nan 8.290 nan 0.000 0.547 916 D N -0.124 120.267 120.400 -0.015 0.000 2.178 916 D HA -0.037 4.602 4.640 -0.002 0.000 0.202 916 D C 2.303 178.639 176.300 0.060 0.000 0.974 916 D CA 0.209 54.225 54.000 0.026 0.000 0.841 916 D CB -0.079 40.721 40.800 -0.001 0.000 0.953 916 D HN 0.295 nan 8.370 nan 0.000 0.478 917 L N -0.077 121.147 121.223 0.002 0.000 2.179 917 L HA -0.019 4.320 4.340 -0.002 0.000 0.208 917 L C 2.082 179.019 176.870 0.113 0.000 1.096 917 L CA 0.784 55.661 54.840 0.061 0.000 0.779 917 L CB -0.070 41.972 42.059 -0.028 0.000 0.922 917 L HN -0.023 nan 8.230 nan 0.000 0.443 918 A N -0.651 122.184 122.820 0.026 0.000 1.873 918 A HA -0.260 4.058 4.320 -0.002 0.000 0.215 918 A C 2.102 179.746 177.584 0.100 0.000 1.186 918 A CA 1.600 53.668 52.037 0.051 0.000 0.616 918 A CB -0.513 18.518 19.000 0.052 0.000 0.823 918 A HN 0.526 nan 8.150 nan 0.000 0.442 919 Q N -2.065 117.805 119.800 0.117 0.000 2.364 919 Q HA -0.035 4.303 4.340 -0.002 0.000 0.207 919 Q C 1.628 177.697 176.000 0.115 0.000 0.970 919 Q CA 0.987 56.853 55.803 0.106 0.000 0.888 919 Q CB -0.206 28.593 28.738 0.102 0.000 0.951 919 Q HN 0.763 nan 8.270 nan 0.000 0.469 920 F N 0.123 120.081 119.950 0.014 0.000 2.163 920 F HA -0.121 4.404 4.527 -0.003 0.000 0.297 920 F C 1.856 177.647 175.800 -0.015 0.000 1.094 920 F CA 1.117 59.118 58.000 0.002 0.000 1.290 920 F CB 0.164 39.180 39.000 0.026 0.000 1.017 920 F HN 0.022 nan 8.300 nan 0.000 0.483 921 M N 0.052 119.715 119.600 0.105 0.000 2.476 921 M HA -0.058 4.420 4.480 -0.002 0.000 0.262 921 M C 1.727 177.990 176.300 -0.061 0.000 1.079 921 M CA 1.145 56.451 55.300 0.010 0.000 1.104 921 M CB -0.206 32.436 32.600 0.071 0.000 1.409 921 M HN 0.244 nan 8.290 nan 0.000 0.467 922 V N -3.784 116.100 119.914 -0.051 0.000 3.621 922 V HA 0.050 4.168 4.120 -0.002 0.000 0.285 922 V C 1.285 177.328 176.094 -0.085 0.000 1.346 922 V CA 0.319 62.589 62.300 -0.051 0.000 1.104 922 V CB -0.407 31.410 31.823 -0.010 0.000 0.913 922 V HN 0.367 nan 8.190 nan 0.000 0.432 923 Q N 2.257 121.970 119.800 -0.146 0.000 2.425 923 Q HA 0.219 4.557 4.340 -0.002 0.000 0.204 923 Q C 0.849 176.730 176.000 -0.199 0.000 0.933 923 Q CA 1.138 56.840 55.803 -0.168 0.000 0.939 923 Q CB 0.104 28.716 28.738 -0.209 0.000 1.044 923 Q HN 0.979 nan 8.270 nan 0.000 0.513 924 N N -2.091 116.481 118.700 -0.214 0.000 2.193 924 N HA 0.091 4.829 4.740 -0.002 0.000 0.236 924 N C 0.065 175.496 175.510 -0.131 0.000 1.347 924 N CA 0.205 53.138 53.050 -0.196 0.000 0.812 924 N CB 1.088 39.399 38.487 -0.294 0.000 1.297 924 N HN 0.099 nan 8.380 nan 0.000 0.499 925 G N 1.920 110.661 108.800 -0.100 0.000 2.386 925 G HA2 -0.266 3.692 3.960 -0.002 0.000 0.295 925 G HA3 -0.266 3.692 3.960 -0.002 0.000 0.295 925 G C -0.442 174.426 174.900 -0.053 0.000 0.979 925 G CA 0.175 45.236 45.100 -0.064 0.000 1.193 925 G HN 0.394 nan 8.290 nan 0.000 0.508 926 L N 1.079 122.272 121.223 -0.051 0.000 2.305 926 L HA 0.401 4.740 4.340 -0.002 0.000 0.284 926 L C 0.903 177.770 176.870 -0.004 0.000 1.013 926 L CA -0.775 54.050 54.840 -0.026 0.000 0.819 926 L CB 1.633 43.678 42.059 -0.025 0.000 1.227 926 L HN 0.291 nan 8.230 nan 0.000 0.417 927 S N 2.403 118.103 115.700 0.001 0.000 2.576 927 S HA 0.077 4.546 4.470 -0.002 0.000 0.272 927 S C 1.164 175.771 174.600 0.011 0.000 1.352 927 S CA -0.453 57.749 58.200 0.003 0.000 1.021 927 S CB 1.101 64.303 63.200 0.004 0.000 0.887 927 S HN 0.660 nan 8.310 nan 0.000 0.542 928 R N 1.184 121.682 120.500 -0.004 0.000 2.096 928 R HA -0.197 4.142 4.340 -0.002 0.000 0.240 928 R C 2.208 178.505 176.300 -0.005 0.000 1.139 928 R CA 1.719 57.804 56.100 -0.023 0.000 0.952 928 R CB -0.782 29.490 30.300 -0.048 0.000 0.854 928 R HN 0.775 nan 8.270 nan 0.000 0.436 929 A N 0.709 123.532 122.820 0.005 0.000 1.930 929 A HA -0.153 4.165 4.320 -0.002 0.000 0.217 929 A C 1.919 179.528 177.584 0.042 0.000 1.175 929 A CA 1.480 53.530 52.037 0.020 0.000 0.627 929 A CB -0.330 18.678 19.000 0.013 0.000 0.815 929 A HN 0.520 nan 8.150 nan 0.000 0.443 930 E N -0.362 119.861 120.200 0.038 0.000 2.046 930 E HA -0.053 4.296 4.350 -0.002 0.000 0.190 930 E C 2.352 179.000 176.600 0.080 0.000 0.982 930 E CA 0.859 57.286 56.400 0.045 0.000 0.800 930 E CB -0.250 29.465 29.700 0.024 0.000 0.756 930 E HN 0.592 nan 8.360 nan 0.000 0.449 931 A N 1.867 124.745 122.820 0.097 0.000 1.930 931 A HA -0.224 4.094 4.320 -0.002 0.000 0.217 931 A C 1.995 179.768 177.584 0.315 0.000 1.175 931 A CA 1.733 53.875 52.037 0.175 0.000 0.627 931 A CB -0.503 18.609 19.000 0.187 0.000 0.815 931 A HN 0.390 nan 8.150 nan 0.000 0.443 932 E N -0.634 119.720 120.200 0.257 0.000 2.442 932 E HA 0.296 4.644 4.350 -0.002 0.000 0.195 932 E C 1.574 178.343 176.600 0.281 0.000 1.030 932 E CA 0.627 57.258 56.400 0.385 0.000 0.869 932 E CB -0.144 29.680 29.700 0.206 0.000 0.857 932 E HN 0.420 nan 8.360 nan 0.000 0.505 933 A N 1.067 123.993 122.820 0.177 0.000 2.072 933 A HA -0.013 4.306 4.320 -0.002 0.000 0.216 933 A C 1.751 179.409 177.584 0.123 0.000 1.156 933 A CA 0.507 52.619 52.037 0.125 0.000 0.701 933 A CB -0.040 19.009 19.000 0.081 0.000 0.816 933 A HN 0.243 nan 8.150 nan 0.000 0.458 934 Q N -0.862 119.029 119.800 0.153 0.000 2.175 934 Q HA 0.406 4.745 4.340 -0.002 0.000 0.225 934 Q C 1.450 177.575 176.000 0.208 0.000 0.837 934 Q CA 0.220 56.102 55.803 0.133 0.000 1.032 934 Q CB 0.456 29.245 28.738 0.086 0.000 1.137 934 Q HN 0.572 nan 8.270 nan 0.000 0.483 935 A N 1.075 124.076 122.820 0.301 0.000 2.024 935 A HA -0.221 4.097 4.320 -0.002 0.000 0.220 935 A C 1.833 179.566 177.584 0.248 0.000 1.164 935 A CA 1.187 53.475 52.037 0.418 0.000 0.643 935 A CB -0.111 19.035 19.000 0.244 0.000 0.806 935 A HN 0.345 nan 8.150 nan 0.000 0.451 936 E N -0.742 119.537 120.200 0.131 0.000 2.204 936 E HA -0.213 4.135 4.350 -0.002 0.000 0.195 936 E C 1.479 178.127 176.600 0.080 0.000 0.990 936 E CA 1.569 58.007 56.400 0.064 0.000 0.821 936 E CB 0.066 29.790 29.700 0.039 0.000 0.750 936 E HN 0.958 nan 8.360 nan 0.000 0.477 937 E N -1.120 119.147 120.200 0.110 0.000 2.505 937 E HA 0.075 4.423 4.350 -0.002 0.000 0.212 937 E C 1.686 178.325 176.600 0.064 0.000 0.825 937 E CA -0.134 56.310 56.400 0.074 0.000 1.333 937 E CB -0.718 29.007 29.700 0.042 0.000 1.319 937 E HN 0.006 nan 8.360 nan 0.000 0.658 938 L N 2.098 123.337 121.223 0.028 0.000 2.357 938 L HA -0.170 4.169 4.340 -0.002 0.000 0.220 938 L C 0.196 177.009 176.870 -0.095 0.000 1.123 938 L CA 1.244 56.012 54.840 -0.120 0.000 0.782 938 L CB -1.050 40.782 42.059 -0.378 0.000 0.910 938 L HN 0.381 nan 8.230 nan 0.000 0.442 939 S N -0.981 114.731 115.700 0.020 0.000 3.477 939 S HA -0.220 4.249 4.470 -0.002 0.000 0.426 939 S C 0.136 174.730 174.600 -0.010 0.000 0.874 939 S CA -0.094 58.159 58.200 0.089 0.000 1.341 939 S CB -2.507 60.732 63.200 0.065 0.000 0.917 939 S HN 0.211 nan 8.310 nan 0.000 0.607 940 F N 2.502 122.290 119.950 -0.272 0.000 2.472 940 F HA 0.522 5.047 4.527 -0.003 0.000 0.312 940 F C -0.425 175.083 175.800 -0.486 0.000 1.256 940 F CA -1.483 56.074 58.000 -0.738 0.000 1.275 940 F CB -0.617 38.062 39.000 -0.535 0.000 1.228 940 F HN 0.255 nan 8.300 nan 0.000 0.567 941 P HA 0.090 nan 4.420 nan 0.000 0.273 941 P C 0.542 177.808 177.300 -0.057 0.000 1.250 941 P CA -0.312 62.724 63.100 -0.105 0.000 0.793 941 P CB 0.608 32.273 31.700 -0.059 0.000 1.011 942 R N 1.084 121.565 120.500 -0.032 0.000 2.103 942 R HA -0.170 4.169 4.340 -0.002 0.000 0.234 942 R C 2.364 178.628 176.300 -0.060 0.000 1.132 942 R CA 2.860 58.933 56.100 -0.045 0.000 0.925 942 R CB -1.048 29.237 30.300 -0.025 0.000 0.842 942 R HN 0.620 nan 8.270 nan 0.000 0.430 943 S N -0.355 115.322 115.700 -0.038 0.000 2.419 943 S HA -0.113 4.356 4.470 -0.002 0.000 0.235 943 S C 2.049 176.655 174.600 0.010 0.000 1.019 943 S CA 1.426 59.614 58.200 -0.021 0.000 0.982 943 S CB -0.499 62.690 63.200 -0.019 0.000 0.789 943 S HN 0.209 nan 8.310 nan 0.000 0.490 944 V N 1.490 121.397 119.914 -0.012 0.000 2.270 944 V HA -0.104 4.015 4.120 -0.002 0.000 0.245 944 V C 2.650 178.768 176.094 0.039 0.000 1.043 944 V CA 1.554 63.865 62.300 0.018 0.000 1.014 944 V CB -0.811 30.992 31.823 -0.034 0.000 0.645 944 V HN 0.454 nan 8.190 nan 0.000 0.447 945 V N -0.011 119.864 119.914 -0.065 0.000 2.407 945 V HA -0.268 3.850 4.120 -0.002 0.000 0.248 945 V C 2.428 178.425 176.094 -0.161 0.000 1.055 945 V CA 2.065 64.287 62.300 -0.130 0.000 1.049 945 V CB -0.639 31.101 31.823 -0.139 0.000 0.662 945 V HN 0.630 nan 8.190 nan 0.000 0.455 946 E N -0.711 119.380 120.200 -0.181 0.000 2.107 946 E HA -0.200 4.149 4.350 -0.002 0.000 0.191 946 E C 2.027 178.581 176.600 -0.076 0.000 0.982 946 E CA 1.351 57.550 56.400 -0.335 0.000 0.809 946 E CB -0.210 29.227 29.700 -0.439 0.000 0.756 946 E HN 0.665 nan 8.360 nan 0.000 0.459 947 F N 1.566 121.480 119.950 -0.060 0.000 2.069 947 F HA -0.178 4.348 4.527 -0.003 0.000 0.298 947 F C 1.853 177.728 175.800 0.124 0.000 1.113 947 F CA 1.362 59.397 58.000 0.058 0.000 1.214 947 F CB -0.189 38.845 39.000 0.056 0.000 0.978 947 F HN -0.109 nan 8.300 nan 0.000 0.474 948 L N -0.023 121.173 121.223 -0.045 0.000 2.549 948 L HA -0.124 4.214 4.340 -0.002 0.000 0.229 948 L C 2.303 178.836 176.870 -0.562 0.000 1.158 948 L CA 0.828 55.486 54.840 -0.304 0.000 0.842 948 L CB -0.589 41.410 42.059 -0.101 0.000 0.952 948 L HN 0.384 nan 8.230 nan 0.000 0.452 949 Q N -0.449 119.140 119.800 -0.352 0.000 2.250 949 Q HA 0.030 4.369 4.340 -0.002 0.000 0.200 949 Q C 1.381 177.248 176.000 -0.223 0.000 0.941 949 Q CA 0.933 56.576 55.803 -0.266 0.000 0.872 949 Q CB 0.512 29.160 28.738 -0.150 0.000 0.965 949 Q HN 0.466 nan 8.270 nan 0.000 0.480 950 G N -1.200 107.511 108.800 -0.149 0.000 2.234 950 G HA2 -0.207 3.751 3.960 -0.002 0.000 0.153 950 G HA3 -0.207 3.751 3.960 -0.002 0.000 0.153 950 G C 0.127 175.039 174.900 0.020 0.000 1.013 950 G CA -0.003 45.048 45.100 -0.082 0.000 0.712 950 G HN 0.265 nan 8.290 nan 0.000 0.491 951 Y N 0.597 120.824 120.300 -0.122 0.000 2.315 951 Y HA 0.141 4.690 4.550 -0.003 0.000 0.288 951 Y C 2.591 178.448 175.900 -0.072 0.000 1.154 951 Y CA 1.841 59.892 58.100 -0.082 0.000 1.229 951 Y CB -0.027 38.401 38.460 -0.054 0.000 0.980 951 Y HN 0.465 nan 8.280 nan 0.000 0.540 952 I N -1.820 118.795 120.570 0.076 0.000 4.139 952 I HA 0.338 4.506 4.170 -0.002 0.000 0.335 952 I C 1.139 177.180 176.117 -0.127 0.000 1.327 952 I CA 0.456 61.769 61.300 0.021 0.000 1.112 952 I CB 0.077 38.157 38.000 0.133 0.000 1.058 952 I HN 0.153 nan 8.210 nan 0.000 0.396 953 G N 1.093 109.751 108.800 -0.236 0.000 2.384 953 G HA2 -0.090 3.869 3.960 -0.002 0.000 0.204 953 G HA3 -0.090 3.869 3.960 -0.002 0.000 0.204 953 G C -0.980 173.626 174.900 -0.490 0.000 1.237 953 G CA -0.687 44.036 45.100 -0.629 0.000 1.060 953 G HN -0.137 nan 8.290 nan 0.000 0.514 954 V N 2.830 122.296 119.914 -0.747 0.000 2.378 954 V HA 0.579 4.698 4.120 -0.002 0.000 0.288 954 V C -1.731 174.241 176.094 -0.204 0.000 1.016 954 V CA -1.056 61.054 62.300 -0.317 0.000 0.840 954 V CB 1.610 33.420 31.823 -0.022 0.000 0.994 954 V HN 0.725 nan 8.190 nan 0.000 0.431 955 P HA 0.041 nan 4.420 nan 0.000 0.269 955 P C -0.234 177.058 177.300 -0.014 0.000 1.209 955 P CA -0.090 62.931 63.100 -0.132 0.000 0.776 955 P CB 0.469 32.023 31.700 -0.244 0.000 0.876 956 H N 1.143 120.233 119.070 0.035 0.000 2.886 956 H HA 0.154 4.709 4.556 -0.002 0.000 0.329 956 H C 1.333 176.609 175.328 -0.087 0.000 1.044 956 H CA 1.429 57.491 56.048 0.024 0.000 1.456 956 H CB -0.067 29.747 29.762 0.087 0.000 1.464 956 H HN 0.807 nan 8.280 nan 0.000 0.573 957 G N 2.690 111.155 108.800 -0.558 0.000 2.254 957 G HA2 -0.142 3.817 3.960 -0.002 0.000 0.225 957 G HA3 -0.142 3.817 3.960 -0.002 0.000 0.225 957 G C 0.699 175.473 174.900 -0.210 0.000 1.003 957 G CA 0.372 45.196 45.100 -0.459 0.000 0.622 957 G HN 1.652 nan 8.290 nan 0.000 0.507 958 G N -1.168 107.534 108.800 -0.163 0.000 2.631 958 G HA2 0.289 4.247 3.960 -0.002 0.000 0.504 958 G HA3 0.289 4.247 3.960 -0.002 0.000 0.504 958 G C -0.314 174.491 174.900 -0.157 0.000 1.306 958 G CA -0.168 44.880 45.100 -0.087 0.000 0.897 958 G HN 1.173 nan 8.290 nan 0.000 0.520 959 F N 1.792 121.724 119.950 -0.031 0.000 2.377 959 F HA 0.528 5.053 4.527 -0.002 0.000 0.328 959 F C -1.102 174.711 175.800 0.022 0.000 1.094 959 F CA -1.380 56.617 58.000 -0.005 0.000 1.093 959 F CB 1.380 40.343 39.000 -0.063 0.000 1.214 959 F HN 0.249 nan 8.300 nan 0.000 0.518 960 P HA 0.034 nan 4.420 nan 0.000 0.267 960 P C -0.048 177.365 177.300 0.189 0.000 1.328 960 P CA 0.208 63.423 63.100 0.191 0.000 0.990 960 P CB 0.977 32.810 31.700 0.221 0.000 1.168 961 E N 4.727 124.997 120.200 0.118 0.000 2.285 961 E HA -0.040 4.309 4.350 -0.002 0.000 0.194 961 E C -0.606 176.023 176.600 0.049 0.000 0.997 961 E CA 0.608 57.047 56.400 0.065 0.000 0.845 961 E CB -1.330 28.394 29.700 0.039 0.000 0.782 961 E HN 0.394 nan 8.360 nan 0.000 0.491 962 P HA -0.186 nan 4.420 nan 0.000 0.214 962 P C 1.408 178.777 177.300 0.115 0.000 1.163 962 P CA 1.180 64.330 63.100 0.084 0.000 0.889 962 P CB -0.189 31.569 31.700 0.097 0.000 0.790 963 F N 1.173 121.122 119.950 -0.001 0.000 2.317 963 F HA 0.099 4.625 4.527 -0.003 0.000 0.293 963 F C 2.625 178.389 175.800 -0.060 0.000 1.085 963 F CA 0.554 58.545 58.000 -0.016 0.000 1.390 963 F CB -0.331 38.664 39.000 -0.008 0.000 1.077 963 F HN -0.275 nan 8.300 nan 0.000 0.517 964 R N -0.249 120.128 120.500 -0.206 0.000 2.093 964 R HA -0.016 4.322 4.340 -0.002 0.000 0.224 964 R C 1.997 178.086 176.300 -0.352 0.000 1.101 964 R CA 1.709 57.594 56.100 -0.358 0.000 0.979 964 R CB -0.996 29.239 30.300 -0.109 0.000 0.877 964 R HN 0.121 nan 8.270 nan 0.000 0.441 965 S N 0.704 116.270 115.700 -0.223 0.000 2.382 965 S HA -0.077 4.392 4.470 -0.002 0.000 0.228 965 S C 1.536 176.021 174.600 -0.192 0.000 1.027 965 S CA 1.539 59.630 58.200 -0.182 0.000 0.991 965 S CB -0.071 63.062 63.200 -0.112 0.000 0.823 965 S HN 0.425 nan 8.310 nan 0.000 0.469 966 K N 0.637 120.907 120.400 -0.216 0.000 2.057 966 K HA -0.036 4.283 4.320 -0.002 0.000 0.207 966 K C 2.004 178.480 176.600 -0.207 0.000 1.049 966 K CA 1.239 57.422 56.287 -0.173 0.000 0.931 966 K CB -0.395 32.027 32.500 -0.131 0.000 0.714 966 K HN 0.221 nan 8.250 nan 0.000 0.440 967 V N 2.051 121.728 119.914 -0.395 0.000 2.358 967 V HA -0.207 3.911 4.120 -0.002 0.000 0.246 967 V C 2.241 178.192 176.094 -0.239 0.000 1.047 967 V CA 1.542 63.607 62.300 -0.392 0.000 1.035 967 V CB -0.450 30.895 31.823 -0.796 0.000 0.658 967 V HN 0.264 nan 8.190 nan 0.000 0.452 968 L N 0.621 121.694 121.223 -0.250 0.000 2.156 968 L HA -0.032 4.306 4.340 -0.002 0.000 0.208 968 L C 1.353 178.145 176.870 -0.130 0.000 1.095 968 L CA 0.743 55.467 54.840 -0.192 0.000 0.770 968 L CB -0.574 41.356 42.059 -0.215 0.000 0.914 968 L HN 0.526 nan 8.230 nan 0.000 0.439 969 K N 1.019 121.352 120.400 -0.112 0.000 3.490 969 K HA -0.216 4.103 4.320 -0.002 0.000 0.273 969 K C -0.592 175.966 176.600 -0.071 0.000 0.916 969 K CA 0.806 57.047 56.287 -0.076 0.000 0.718 969 K CB -2.603 29.865 32.500 -0.053 0.000 1.477 969 K HN 0.702 nan 8.250 nan 0.000 0.452 970 D N -1.243 119.109 120.400 -0.081 0.000 3.163 970 D HA -0.200 4.439 4.640 -0.002 0.000 0.207 970 D C -0.407 175.852 176.300 -0.069 0.000 1.209 970 D CA 1.290 55.245 54.000 -0.075 0.000 0.905 970 D CB -0.667 40.098 40.800 -0.059 0.000 0.832 970 D HN 0.522 nan 8.370 nan 0.000 0.387 971 L N 1.380 122.553 121.223 -0.084 0.000 2.313 971 L HA 0.605 4.944 4.340 -0.002 0.000 0.268 971 L C -1.671 175.158 176.870 -0.068 0.000 1.010 971 L CA -2.516 52.280 54.840 -0.072 0.000 0.814 971 L CB 1.591 43.599 42.059 -0.086 0.000 1.304 971 L HN 0.120 nan 8.230 nan 0.000 0.441 972 P HA 0.080 nan 4.420 nan 0.000 0.264 972 P C -1.047 176.239 177.300 -0.024 0.000 1.537 972 P CA -0.222 62.862 63.100 -0.027 0.000 1.189 972 P CB -0.120 31.581 31.700 0.000 0.000 1.687 973 R N 1.597 122.058 120.500 -0.066 0.000 2.442 973 R HA 0.248 4.586 4.340 -0.002 0.000 0.291 973 R C 0.256 176.516 176.300 -0.066 0.000 1.069 973 R CA -0.477 55.566 56.100 -0.095 0.000 1.022 973 R CB 0.233 30.435 30.300 -0.163 0.000 0.976 973 R HN 0.203 nan 8.270 nan 0.000 0.443 974 V N 3.588 123.470 119.914 -0.052 0.000 2.529 974 V HA -0.062 4.057 4.120 -0.002 0.000 0.292 974 V C 1.426 177.482 176.094 -0.063 0.000 1.028 974 V CA 0.336 62.600 62.300 -0.061 0.000 1.074 974 V CB 0.975 32.746 31.823 -0.086 0.000 0.958 974 V HN 0.806 nan 8.190 nan 0.000 0.481 975 E N 4.528 124.700 120.200 -0.046 0.000 2.004 975 E HA 0.075 4.423 4.350 -0.002 0.000 0.194 975 E C 1.377 177.978 176.600 0.002 0.000 0.981 975 E CA 1.411 57.796 56.400 -0.026 0.000 0.842 975 E CB -0.564 29.123 29.700 -0.021 0.000 0.796 975 E HN 0.771 nan 8.360 nan 0.000 0.477 976 G N -0.359 108.450 108.800 0.014 0.000 2.783 976 G HA2 0.107 4.066 3.960 -0.002 0.000 0.182 976 G HA3 0.107 4.066 3.960 -0.002 0.000 0.182 976 G C -0.635 174.324 174.900 0.097 0.000 1.516 976 G CA -0.314 44.823 45.100 0.061 0.000 1.079 976 G HN 0.340 nan 8.290 nan 0.000 0.573 977 R N 1.295 121.883 120.500 0.147 0.000 2.449 977 R HA 0.112 4.451 4.340 -0.002 0.000 0.296 977 R C -1.206 175.131 176.300 0.061 0.000 1.047 977 R CA -0.912 55.305 56.100 0.196 0.000 1.018 977 R CB 0.875 31.286 30.300 0.184 0.000 0.962 977 R HN 0.159 nan 8.270 nan 0.000 0.428 978 P HA -0.156 nan 4.420 nan 0.000 0.216 978 P C 1.120 178.378 177.300 -0.070 0.000 1.150 978 P CA 1.665 64.714 63.100 -0.084 0.000 0.843 978 P CB -0.050 31.564 31.700 -0.143 0.000 0.787 979 G N 1.078 109.866 108.800 -0.021 0.000 2.628 979 G HA2 -0.333 3.626 3.960 -0.002 0.000 0.217 979 G HA3 -0.333 3.626 3.960 -0.002 0.000 0.217 979 G C 1.855 176.740 174.900 -0.026 0.000 1.240 979 G CA 1.840 46.932 45.100 -0.013 0.000 0.792 979 G HN 0.385 nan 8.290 nan 0.000 0.593 980 A N 0.751 123.560 122.820 -0.020 0.000 1.883 980 A HA -0.004 4.315 4.320 -0.002 0.000 0.217 980 A C 2.302 179.863 177.584 -0.038 0.000 1.186 980 A CA 2.354 54.373 52.037 -0.031 0.000 0.624 980 A CB -0.836 18.149 19.000 -0.024 0.000 0.822 980 A HN 0.986 nan 8.150 nan 0.000 0.444 981 S N -1.078 114.598 115.700 -0.041 0.000 3.227 981 S HA 0.462 4.931 4.470 -0.002 0.000 0.249 981 S C -0.353 174.207 174.600 -0.066 0.000 1.322 981 S CA -0.031 58.139 58.200 -0.050 0.000 1.253 981 S CB -0.428 62.742 63.200 -0.050 0.000 1.076 981 S HN 0.548 nan 8.310 nan 0.000 0.471 982 L N 1.274 122.463 121.223 -0.057 0.000 2.588 982 L HA 0.399 4.737 4.340 -0.002 0.000 0.256 982 L C -2.706 174.141 176.870 -0.038 0.000 1.083 982 L CA -1.402 53.402 54.840 -0.060 0.000 0.909 982 L CB 1.069 43.079 42.059 -0.081 0.000 1.121 982 L HN 0.012 nan 8.230 nan 0.000 0.470 983 P HA 0.036 nan 4.420 nan 0.000 0.266 983 P C -2.503 174.789 177.300 -0.014 0.000 1.162 983 P CA -0.364 62.723 63.100 -0.022 0.000 0.758 983 P CB -0.527 31.163 31.700 -0.016 0.000 0.774 984 P HA 0.100 nan 4.420 nan 0.000 0.271 984 P C -0.465 176.837 177.300 0.004 0.000 1.216 984 P CA -0.297 62.798 63.100 -0.008 0.000 0.776 984 P CB 0.503 32.190 31.700 -0.021 0.000 0.881 985 L N 2.941 124.173 121.223 0.014 0.000 2.281 985 L HA 0.255 4.594 4.340 -0.002 0.000 0.285 985 L C -0.249 176.630 176.870 0.014 0.000 1.074 985 L CA -0.103 54.748 54.840 0.019 0.000 0.817 985 L CB -0.386 41.690 42.059 0.029 0.000 1.168 985 L HN 0.147 nan 8.230 nan 0.000 0.434 986 D N 5.278 125.685 120.400 0.013 0.000 2.383 986 D HA 0.003 4.641 4.640 -0.002 0.000 0.275 986 D C 1.187 177.494 176.300 0.012 0.000 1.344 986 D CA 0.555 54.561 54.000 0.011 0.000 0.984 986 D CB 0.460 41.267 40.800 0.012 0.000 1.104 986 D HN 0.570 nan 8.370 nan 0.000 0.524 987 L N 1.824 123.053 121.223 0.010 0.000 2.240 987 L HA -0.147 4.192 4.340 -0.002 0.000 0.211 987 L C 2.142 179.016 176.870 0.006 0.000 1.106 987 L CA 0.821 55.666 54.840 0.008 0.000 0.793 987 L CB -0.106 41.960 42.059 0.011 0.000 0.927 987 L HN 0.383 nan 8.230 nan 0.000 0.446 988 Q N 0.097 119.901 119.800 0.006 0.000 1.990 988 Q HA -0.170 4.168 4.340 -0.002 0.000 0.200 988 Q C 2.498 178.504 176.000 0.011 0.000 0.980 988 Q CA 1.742 57.548 55.803 0.006 0.000 0.832 988 Q CB -0.288 28.453 28.738 0.005 0.000 0.897 988 Q HN 0.510 nan 8.270 nan 0.000 0.427 989 A N 1.166 123.993 122.820 0.012 0.000 1.892 989 A HA -0.211 4.107 4.320 -0.002 0.000 0.218 989 A C 2.067 179.665 177.584 0.023 0.000 1.188 989 A CA 1.253 53.301 52.037 0.017 0.000 0.631 989 A CB -0.930 18.080 19.000 0.017 0.000 0.822 989 A HN 0.414 nan 8.150 nan 0.000 0.447 990 L N -0.828 120.408 121.223 0.021 0.000 2.079 990 L HA -0.199 4.140 4.340 -0.002 0.000 0.210 990 L C 2.670 179.557 176.870 0.028 0.000 1.081 990 L CA 1.659 56.514 54.840 0.025 0.000 0.752 990 L CB -0.413 41.654 42.059 0.014 0.000 0.896 990 L HN 0.510 nan 8.230 nan 0.000 0.433 991 E N 0.110 120.322 120.200 0.019 0.000 2.021 991 E HA -0.325 4.024 4.350 -0.002 0.000 0.200 991 E C 2.143 178.768 176.600 0.041 0.000 1.015 991 E CA 1.619 58.033 56.400 0.022 0.000 0.824 991 E CB -0.120 29.587 29.700 0.012 0.000 0.762 991 E HN 0.366 nan 8.360 nan 0.000 0.454 992 K N 0.603 121.023 120.400 0.035 0.000 2.097 992 K HA -0.175 4.143 4.320 -0.002 0.000 0.206 992 K C 2.026 178.656 176.600 0.050 0.000 1.049 992 K CA 1.127 57.437 56.287 0.038 0.000 0.933 992 K CB -0.039 32.477 32.500 0.027 0.000 0.717 992 K HN 0.150 nan 8.250 nan 0.000 0.442 993 E N 0.449 120.681 120.200 0.052 0.000 2.070 993 E HA -0.214 4.134 4.350 -0.002 0.000 0.197 993 E C 1.990 178.645 176.600 0.092 0.000 1.004 993 E CA 1.458 57.895 56.400 0.061 0.000 0.805 993 E CB -0.097 29.640 29.700 0.061 0.000 0.744 993 E HN 0.259 nan 8.360 nan 0.000 0.451 994 L N 0.133 121.438 121.223 0.137 0.000 2.291 994 L HA -0.114 4.225 4.340 -0.002 0.000 0.214 994 L C 2.285 179.301 176.870 0.243 0.000 1.120 994 L CA 0.242 55.243 54.840 0.268 0.000 0.799 994 L CB -0.102 42.139 42.059 0.302 0.000 0.925 994 L HN 0.027 nan 8.230 nan 0.000 0.446 995 V N 0.774 120.771 119.914 0.140 0.000 2.307 995 V HA -0.249 3.870 4.120 -0.002 0.000 0.245 995 V C 2.169 178.300 176.094 0.061 0.000 1.045 995 V CA 1.971 64.336 62.300 0.108 0.000 1.024 995 V CB -0.658 31.207 31.823 0.071 0.000 0.651 995 V HN 0.634 nan 8.190 nan 0.000 0.449 996 D N 1.203 121.622 120.400 0.031 0.000 2.351 996 D HA -0.223 4.415 4.640 -0.002 0.000 0.216 996 D C 1.855 178.134 176.300 -0.034 0.000 0.968 996 D CA 1.319 55.320 54.000 0.002 0.000 0.899 996 D CB -0.310 40.490 40.800 0.001 0.000 0.907 996 D HN 0.666 nan 8.370 nan 0.000 0.514 997 R N -1.252 119.199 120.500 -0.081 0.000 2.225 997 R HA 0.205 4.543 4.340 -0.002 0.000 0.194 997 R C 1.826 177.995 176.300 -0.218 0.000 0.949 997 R CA -0.065 55.923 56.100 -0.186 0.000 1.088 997 R CB -0.476 29.649 30.300 -0.292 0.000 1.106 997 R HN 0.152 nan 8.270 nan 0.000 0.566 998 H N 0.808 119.895 119.070 0.028 0.000 2.370 998 H HA 0.320 4.875 4.556 -0.002 0.000 0.304 998 H C 1.104 176.439 175.328 0.012 0.000 1.055 998 H CA 1.556 57.616 56.048 0.019 0.000 1.373 998 H CB 0.520 30.323 29.762 0.068 0.000 1.423 998 H HN 0.459 nan 8.280 nan 0.000 0.533 999 G N 0.408 109.290 108.800 0.137 0.000 2.331 999 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.479 999 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.479 999 G C 0.310 175.251 174.900 0.069 0.000 1.262 999 G CA 0.124 45.268 45.100 0.074 0.000 1.029 999 G HN 0.217 nan 8.290 nan 0.000 0.487 1000 E N 0.240 120.466 120.200 0.043 0.000 2.268 1000 E HA 0.014 4.362 4.350 -0.002 0.000 0.195 1000 E C 1.609 178.231 176.600 0.036 0.000 0.995 1000 E CA 1.888 58.308 56.400 0.034 0.000 0.836 1000 E CB -0.134 29.579 29.700 0.021 0.000 0.763 1000 E HN 0.591 nan 8.360 nan 0.000 0.491 1001 E N 0.288 120.512 120.200 0.040 0.000 2.528 1001 E HA 0.063 4.412 4.350 -0.002 0.000 0.237 1001 E C -0.833 175.799 176.600 0.053 0.000 1.408 1001 E CA -0.183 56.239 56.400 0.037 0.000 1.571 1001 E CB 0.349 30.066 29.700 0.028 0.000 1.395 1001 E HN 0.009 nan 8.360 nan 0.000 0.438 1002 V N 1.381 121.329 119.914 0.057 0.000 2.333 1002 V HA 0.090 4.209 4.120 -0.002 0.000 0.274 1002 V C 0.441 176.553 176.094 0.029 0.000 1.028 1002 V CA -0.486 61.855 62.300 0.068 0.000 0.851 1002 V CB 1.441 33.316 31.823 0.086 0.000 1.000 1002 V HN 0.161 nan 8.190 nan 0.000 0.456 1003 T N 7.359 121.923 114.554 0.018 0.000 2.913 1003 T HA 0.311 4.660 4.350 -0.002 0.000 0.287 1003 T C -1.081 173.570 174.700 -0.082 0.000 1.008 1003 T CA -1.717 60.361 62.100 -0.036 0.000 1.067 1003 T CB 1.502 70.341 68.868 -0.048 0.000 0.996 1003 T HN 0.516 nan 8.240 nan 0.000 0.513 1004 P HA -0.094 nan 4.420 nan 0.000 0.220 1004 P C 0.813 177.961 177.300 -0.253 0.000 1.144 1004 P CA 1.083 64.095 63.100 -0.147 0.000 0.800 1004 P CB 0.287 31.902 31.700 -0.141 0.000 0.772 1005 E N 0.175 120.124 120.200 -0.418 0.000 2.110 1005 E HA -0.155 4.193 4.350 -0.002 0.000 0.193 1005 E C 1.798 178.182 176.600 -0.359 0.000 0.988 1005 E CA 1.196 57.094 56.400 -0.836 0.000 0.804 1005 E CB -0.736 28.192 29.700 -1.287 0.000 0.745 1005 E HN 0.310 nan 8.360 nan 0.000 0.458 1006 D N -0.088 120.241 120.400 -0.118 0.000 2.178 1006 D HA -0.128 4.510 4.640 -0.002 0.000 0.201 1006 D C 1.951 178.099 176.300 -0.254 0.000 0.980 1006 D CA 0.893 54.904 54.000 0.018 0.000 0.842 1006 D CB -0.164 40.755 40.800 0.197 0.000 0.948 1006 D HN 0.092 nan 8.370 nan 0.000 0.472 1007 V N 1.494 121.318 119.914 -0.150 0.000 2.237 1007 V HA -0.230 3.889 4.120 -0.002 0.000 0.245 1007 V C 2.774 178.830 176.094 -0.063 0.000 1.046 1007 V CA 1.200 63.422 62.300 -0.130 0.000 1.007 1007 V CB -0.709 31.074 31.823 -0.066 0.000 0.638 1007 V HN 0.163 nan 8.190 nan 0.000 0.445 1008 L N 0.288 121.544 121.223 0.055 0.000 2.081 1008 L HA -0.197 4.142 4.340 -0.002 0.000 0.212 1008 L C 2.643 179.733 176.870 0.368 0.000 1.080 1008 L CA 1.710 56.699 54.840 0.248 0.000 0.754 1008 L CB -0.656 41.664 42.059 0.434 0.000 0.893 1008 L HN 0.355 nan 8.230 nan 0.000 0.433 1009 S N -0.009 115.959 115.700 0.446 0.000 2.356 1009 S HA -0.182 4.286 4.470 -0.002 0.000 0.223 1009 S C 2.221 176.892 174.600 0.118 0.000 1.032 1009 S CA 1.224 59.733 58.200 0.517 0.000 1.005 1009 S CB -0.366 63.146 63.200 0.521 0.000 0.867 1009 S HN 0.522 nan 8.310 nan 0.000 0.449 1010 A N 1.666 124.280 122.820 -0.342 0.000 1.902 1010 A HA 0.127 4.446 4.320 -0.002 0.000 0.217 1010 A C 2.366 179.925 177.584 -0.042 0.000 1.181 1010 A CA 1.674 53.549 52.037 -0.270 0.000 0.623 1010 A CB -1.090 17.672 19.000 -0.397 0.000 0.818 1010 A HN 0.521 nan 8.150 nan 0.000 0.443 1011 A N -0.911 121.875 122.820 -0.056 0.000 1.933 1011 A HA -0.103 4.215 4.320 -0.002 0.000 0.218 1011 A C 2.210 179.653 177.584 -0.235 0.000 1.175 1011 A CA 1.879 53.863 52.037 -0.088 0.000 0.628 1011 A CB -0.425 18.528 19.000 -0.079 0.000 0.814 1011 A HN 0.460 nan 8.150 nan 0.000 0.444 1012 M N -2.312 117.143 119.600 -0.241 0.000 2.160 1012 M HA 0.044 4.522 4.480 -0.002 0.000 0.264 1012 M C -0.038 176.037 176.300 -0.375 0.000 1.073 1012 M CA 1.321 56.302 55.300 -0.532 0.000 1.142 1012 M CB -0.647 31.780 32.600 -0.287 0.000 1.358 1012 M HN 0.419 nan 8.290 nan 0.000 0.422 1013 Y N -0.117 120.234 120.300 0.085 0.000 2.662 1013 Y HA 0.254 4.802 4.550 -0.002 0.000 0.358 1013 Y C -1.639 174.382 175.900 0.202 0.000 1.041 1013 Y CA -1.891 56.310 58.100 0.170 0.000 1.184 1013 Y CB 0.140 38.724 38.460 0.207 0.000 1.114 1013 Y HN 0.097 nan 8.280 nan 0.000 0.650 1014 P HA -0.237 nan 4.420 nan 0.000 0.216 1014 P C 1.048 178.509 177.300 0.269 0.000 1.153 1014 P CA 1.736 64.971 63.100 0.225 0.000 0.858 1014 P CB 0.761 32.558 31.700 0.161 0.000 0.789 1015 D N -0.419 120.139 120.400 0.263 0.000 2.149 1015 D HA -0.083 4.556 4.640 -0.002 0.000 0.206 1015 D C 2.000 178.455 176.300 0.258 0.000 0.967 1015 D CA 1.161 55.288 54.000 0.212 0.000 0.848 1015 D CB -0.097 40.849 40.800 0.244 0.000 0.998 1015 D HN -0.005 nan 8.370 nan 0.000 0.474 1016 V N -0.400 119.724 119.914 0.351 0.000 2.759 1016 V HA -0.125 3.993 4.120 -0.002 0.000 0.256 1016 V C 2.055 178.355 176.094 0.343 0.000 1.080 1016 V CA 1.108 63.598 62.300 0.316 0.000 1.101 1016 V CB -0.955 30.955 31.823 0.144 0.000 0.698 1016 V HN 0.088 nan 8.190 nan 0.000 0.477 1017 F N 1.578 121.678 119.950 0.250 0.000 2.293 1017 F HA 0.288 4.814 4.527 -0.003 0.000 0.297 1017 F C 2.347 178.280 175.800 0.222 0.000 1.089 1017 F CA 1.154 59.329 58.000 0.292 0.000 1.377 1017 F CB -0.404 38.753 39.000 0.262 0.000 1.051 1017 F HN 0.230 nan 8.300 nan 0.000 0.511 1018 A N 0.147 123.135 122.820 0.279 0.000 1.858 1018 A HA -0.228 4.091 4.320 -0.002 0.000 0.216 1018 A C 2.064 179.669 177.584 0.035 0.000 1.190 1018 A CA 1.934 54.049 52.037 0.130 0.000 0.617 1018 A CB -1.329 17.684 19.000 0.021 0.000 0.827 1018 A HN 0.554 nan 8.150 nan 0.000 0.443 1019 H N -1.992 117.197 119.070 0.200 0.000 2.457 1019 H HA -0.088 4.467 4.556 -0.003 0.000 0.294 1019 H C 1.864 177.340 175.328 0.246 0.000 1.064 1019 H CA 1.506 57.673 56.048 0.200 0.000 1.330 1019 H CB -0.433 29.445 29.762 0.193 0.000 1.395 1019 H HN 0.625 nan 8.280 nan 0.000 0.541 1020 F N 2.458 122.498 119.950 0.150 0.000 2.084 1020 F HA -0.092 4.433 4.527 -0.003 0.000 0.296 1020 F C 2.084 177.902 175.800 0.030 0.000 1.111 1020 F CA 1.165 59.235 58.000 0.117 0.000 1.224 1020 F CB -0.135 38.851 39.000 -0.023 0.000 0.991 1020 F HN -0.195 nan 8.300 nan 0.000 0.471 1021 K N 0.474 120.508 120.400 -0.611 0.000 2.097 1021 K HA -0.196 4.122 4.320 -0.002 0.000 0.206 1021 K C 1.990 178.468 176.600 -0.203 0.000 1.049 1021 K CA 1.473 57.384 56.287 -0.627 0.000 0.933 1021 K CB -0.861 31.255 32.500 -0.640 0.000 0.717 1021 K HN 0.415 nan 8.250 nan 0.000 0.442 1022 D N -0.004 120.384 120.400 -0.020 0.000 2.123 1022 D HA -0.165 4.474 4.640 -0.002 0.000 0.196 1022 D C 1.821 178.140 176.300 0.032 0.000 0.992 1022 D CA 0.917 54.945 54.000 0.046 0.000 0.833 1022 D CB -0.015 40.867 40.800 0.136 0.000 0.954 1022 D HN 0.059 nan 8.370 nan 0.000 0.455 1023 F N 1.392 121.298 119.950 -0.073 0.000 2.084 1023 F HA -0.166 4.360 4.527 -0.003 0.000 0.296 1023 F C 2.555 178.285 175.800 -0.117 0.000 1.111 1023 F CA 1.501 59.441 58.000 -0.101 0.000 1.224 1023 F CB -0.596 38.259 39.000 -0.241 0.000 0.991 1023 F HN -0.133 nan 8.300 nan 0.000 0.471 1024 T N 0.581 115.140 114.554 0.009 0.000 2.778 1024 T HA -0.243 4.106 4.350 -0.002 0.000 0.269 1024 T C 2.151 176.748 174.700 -0.171 0.000 1.050 1024 T CA 1.262 63.298 62.100 -0.107 0.000 1.137 1024 T CB -0.845 67.850 68.868 -0.289 0.000 0.860 1024 T HN 0.375 nan 8.240 nan 0.000 0.468 1025 A N 1.391 124.101 122.820 -0.184 0.000 1.902 1025 A HA -0.123 4.195 4.320 -0.002 0.000 0.217 1025 A C 2.533 179.962 177.584 -0.259 0.000 1.181 1025 A CA 2.002 53.934 52.037 -0.175 0.000 0.623 1025 A CB -1.003 17.919 19.000 -0.129 0.000 0.818 1025 A HN 0.511 nan 8.150 nan 0.000 0.443 1026 T N -1.991 112.306 114.554 -0.428 0.000 3.014 1026 T HA 0.148 4.497 4.350 -0.002 0.000 0.263 1026 T C 0.896 175.035 174.700 -0.935 0.000 1.078 1026 T CA 1.049 62.698 62.100 -0.750 0.000 1.135 1026 T CB -0.218 67.991 68.868 -1.098 0.000 0.895 1026 T HN 0.477 nan 8.240 nan 0.000 0.480 1027 F N 0.434 120.150 119.950 -0.389 0.000 2.798 1027 F HA 0.463 4.989 4.527 -0.003 0.000 0.328 1027 F C 1.461 177.127 175.800 -0.223 0.000 1.098 1027 F CA -0.296 57.485 58.000 -0.364 0.000 1.172 1027 F CB 0.731 39.346 39.000 -0.642 0.000 1.072 1027 F HN 0.296 nan 8.300 nan 0.000 0.555 1028 G N 1.475 110.247 108.800 -0.047 0.000 2.828 1028 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.463 1028 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.463 1028 G C -3.002 171.913 174.900 0.025 0.000 1.394 1028 G CA -1.359 43.732 45.100 -0.015 0.000 0.862 1028 G HN -0.047 nan 8.290 nan 0.000 0.540 1029 P HA 0.425 nan 4.420 nan 0.000 0.276 1029 P C 0.777 178.130 177.300 0.088 0.000 1.253 1029 P CA -0.247 62.906 63.100 0.089 0.000 0.766 1029 P CB 0.490 32.236 31.700 0.078 0.000 0.845 1030 L N 2.134 123.432 121.223 0.125 0.000 2.640 1030 L HA 0.058 4.396 4.340 -0.002 0.000 0.230 1030 L C 1.247 178.147 176.870 0.049 0.000 1.123 1030 L CA 0.347 55.251 54.840 0.107 0.000 0.900 1030 L CB -0.233 41.945 42.059 0.198 0.000 1.146 1030 L HN 0.300 nan 8.230 nan 0.000 0.484 1031 D N -1.239 119.185 120.400 0.041 0.000 2.371 1031 D HA -0.138 4.501 4.640 -0.002 0.000 0.221 1031 D C 1.856 178.175 176.300 0.030 0.000 0.986 1031 D CA 1.059 55.056 54.000 -0.006 0.000 0.899 1031 D CB -0.131 40.690 40.800 0.035 0.000 0.902 1031 D HN 0.265 nan 8.370 nan 0.000 0.530 1032 S N -0.103 115.624 115.700 0.046 0.000 2.446 1032 S HA 0.062 4.531 4.470 -0.002 0.000 0.225 1032 S C 1.096 175.695 174.600 -0.002 0.000 1.016 1032 S CA -0.349 57.891 58.200 0.066 0.000 0.943 1032 S CB -0.572 62.671 63.200 0.072 0.000 0.786 1032 S HN 0.208 nan 8.310 nan 0.000 0.508 1033 L N 3.641 124.840 121.223 -0.040 0.000 2.473 1033 L HA 0.225 4.563 4.340 -0.002 0.000 0.268 1033 L C 0.964 177.564 176.870 -0.451 0.000 1.215 1033 L CA -0.585 54.198 54.840 -0.095 0.000 0.823 1033 L CB 0.041 42.145 42.059 0.074 0.000 1.099 1033 L HN 0.416 nan 8.230 nan 0.000 0.483 1034 N N -0.219 118.201 118.700 -0.468 0.000 2.424 1034 N HA 0.044 4.783 4.740 -0.002 0.000 0.257 1034 N C 0.261 175.663 175.510 -0.179 0.000 1.250 1034 N CA -0.481 52.224 53.050 -0.575 0.000 0.946 1034 N CB 0.964 39.345 38.487 -0.178 0.000 1.175 1034 N HN 0.516 nan 8.380 nan 0.000 0.477 1035 T N 0.259 114.762 114.554 -0.084 0.000 2.867 1035 T HA -0.090 4.259 4.350 -0.002 0.000 0.268 1035 T C 1.846 176.553 174.700 0.011 0.000 1.057 1035 T CA 0.751 62.838 62.100 -0.022 0.000 1.136 1035 T CB -0.167 68.611 68.868 -0.150 0.000 0.874 1035 T HN 0.513 nan 8.240 nan 0.000 0.466 1036 R N 0.220 120.695 120.500 -0.041 0.000 2.073 1036 R HA -0.037 4.301 4.340 -0.002 0.000 0.234 1036 R C 2.321 178.598 176.300 -0.039 0.000 1.134 1036 R CA 1.136 57.204 56.100 -0.054 0.000 0.952 1036 R CB -0.481 29.775 30.300 -0.072 0.000 0.850 1036 R HN 0.229 nan 8.270 nan 0.000 0.433 1037 L N 0.263 121.460 121.223 -0.044 0.000 2.012 1037 L HA -0.185 4.153 4.340 -0.002 0.000 0.210 1037 L C 2.090 179.019 176.870 0.098 0.000 1.073 1037 L CA 1.733 56.545 54.840 -0.047 0.000 0.748 1037 L CB -0.750 41.270 42.059 -0.066 0.000 0.891 1037 L HN 0.175 nan 8.230 nan 0.000 0.431 1038 F N -0.634 119.341 119.950 0.042 0.000 2.069 1038 F HA -0.257 4.269 4.527 -0.002 0.000 0.298 1038 F C 2.117 178.030 175.800 0.188 0.000 1.113 1038 F CA 1.890 59.992 58.000 0.170 0.000 1.214 1038 F CB -0.244 38.809 39.000 0.088 0.000 0.978 1038 F HN 0.005 nan 8.300 nan 0.000 0.474 1039 L N -0.532 120.750 121.223 0.098 0.000 2.209 1039 L HA -0.096 4.242 4.340 -0.002 0.000 0.207 1039 L C 1.867 178.685 176.870 -0.087 0.000 1.094 1039 L CA 1.490 56.326 54.840 -0.007 0.000 0.790 1039 L CB -0.421 41.690 42.059 0.086 0.000 0.932 1039 L HN 0.376 nan 8.230 nan 0.000 0.447 1040 Q N -1.045 118.704 119.800 -0.085 0.000 2.113 1040 Q HA 0.333 4.672 4.340 -0.002 0.000 0.225 1040 Q C 0.578 176.503 176.000 -0.124 0.000 0.786 1040 Q CA 0.250 55.987 55.803 -0.109 0.000 0.989 1040 Q CB 1.021 29.703 28.738 -0.093 0.000 1.174 1040 Q HN 0.125 nan 8.270 nan 0.000 0.470 1041 G N 2.168 110.892 108.800 -0.128 0.000 2.877 1041 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.279 1041 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.279 1041 G C -2.553 172.259 174.900 -0.146 0.000 1.431 1041 G CA -0.337 44.688 45.100 -0.125 0.000 0.883 1041 G HN 0.276 nan 8.290 nan 0.000 0.547 1042 P HA 0.483 nan 4.420 nan 0.000 0.277 1042 P C -0.488 176.752 177.300 -0.100 0.000 1.276 1042 P CA -0.161 62.795 63.100 -0.238 0.000 0.788 1042 P CB 0.923 32.503 31.700 -0.200 0.000 1.114 1043 K N 0.219 120.575 120.400 -0.074 0.000 2.316 1043 K HA 0.385 4.704 4.320 -0.002 0.000 0.251 1043 K C -0.186 176.420 176.600 0.010 0.000 0.934 1043 K CA -0.972 55.296 56.287 -0.031 0.000 0.802 1043 K CB 0.403 32.880 32.500 -0.037 0.000 1.171 1043 K HN 0.237 nan 8.250 nan 0.000 0.426 1044 I N 3.540 124.110 120.570 0.001 0.000 3.089 1044 I HA -0.203 3.966 4.170 -0.002 0.000 0.321 1044 I C 1.152 177.287 176.117 0.030 0.000 1.222 1044 I CA 1.814 63.119 61.300 0.009 0.000 1.452 1044 I CB -0.844 37.150 38.000 -0.011 0.000 1.321 1044 I HN 0.926 nan 8.210 nan 0.000 0.539 1045 A N 4.723 127.574 122.820 0.053 0.000 3.614 1045 A HA -0.229 4.089 4.320 -0.002 0.000 0.246 1045 A C 0.701 178.335 177.584 0.083 0.000 1.044 1045 A CA 0.828 52.898 52.037 0.055 0.000 1.548 1045 A CB -1.561 17.456 19.000 0.028 0.000 0.974 1045 A HN 0.777 nan 8.150 nan 0.000 0.844 1046 E N 1.018 121.286 120.200 0.113 0.000 2.130 1046 E HA 0.437 4.786 4.350 -0.002 0.000 0.284 1046 E C 0.032 176.787 176.600 0.260 0.000 1.018 1046 E CA -0.414 56.072 56.400 0.143 0.000 0.817 1046 E CB 0.428 30.191 29.700 0.105 0.000 1.078 1046 E HN 0.447 nan 8.360 nan 0.000 0.396 1047 E N 4.512 124.833 120.200 0.202 0.000 2.360 1047 E HA 0.167 4.515 4.350 -0.002 0.000 0.269 1047 E C -1.131 175.646 176.600 0.295 0.000 1.022 1047 E CA -0.247 56.273 56.400 0.200 0.000 0.887 1047 E CB 0.424 30.174 29.700 0.084 0.000 0.990 1047 E HN 0.410 nan 8.360 nan 0.000 0.426 1048 F N 0.999 121.010 119.950 0.102 0.000 2.596 1048 F HA 0.426 4.951 4.527 -0.003 0.000 0.311 1048 F C -1.010 174.865 175.800 0.124 0.000 1.116 1048 F CA -1.083 56.977 58.000 0.100 0.000 0.957 1048 F CB 0.935 39.986 39.000 0.085 0.000 1.250 1048 F HN 0.203 nan 8.300 nan 0.000 0.444 1049 E N 2.647 122.929 120.200 0.136 0.000 2.249 1049 E HA 0.440 4.788 4.350 -0.002 0.000 0.280 1049 E C -1.146 175.507 176.600 0.088 0.000 1.016 1049 E CA -1.177 55.257 56.400 0.058 0.000 0.830 1049 E CB 2.955 32.740 29.700 0.140 0.000 1.081 1049 E HN 0.584 nan 8.360 nan 0.000 0.395 1050 V N 3.245 123.154 119.914 -0.007 0.000 2.383 1050 V HA 0.015 4.133 4.120 -0.002 0.000 0.275 1050 V C 0.037 176.155 176.094 0.039 0.000 1.036 1050 V CA -0.324 62.015 62.300 0.064 0.000 0.889 1050 V CB 0.705 32.554 31.823 0.043 0.000 0.985 1050 V HN 0.647 nan 8.190 nan 0.000 0.459 1051 E N 5.885 126.132 120.200 0.078 0.000 2.975 1051 E HA 0.049 4.397 4.350 -0.002 0.000 0.301 1051 E C -0.178 176.456 176.600 0.057 0.000 1.554 1051 E CA -0.169 56.275 56.400 0.073 0.000 1.716 1051 E CB -0.020 29.750 29.700 0.116 0.000 1.365 1051 E HN 0.530 nan 8.360 nan 0.000 0.469 1052 L N 2.156 123.397 121.223 0.030 0.000 2.410 1052 L HA 0.010 4.349 4.340 -0.002 0.000 0.273 1052 L C 0.599 177.482 176.870 0.021 0.000 1.144 1052 L CA -0.142 54.711 54.840 0.023 0.000 0.863 1052 L CB 0.389 42.447 42.059 -0.002 0.000 1.140 1052 L HN 0.081 nan 8.230 nan 0.000 0.463 1053 E N 5.123 125.342 120.200 0.032 0.000 2.451 1053 E HA 0.033 4.382 4.350 -0.002 0.000 0.256 1053 E C 0.344 176.956 176.600 0.018 0.000 1.294 1053 E CA -0.212 56.207 56.400 0.031 0.000 1.005 1053 E CB 0.004 29.728 29.700 0.040 0.000 0.990 1053 E HN 0.519 nan 8.360 nan 0.000 0.505 1054 R N -1.196 119.315 120.500 0.019 0.000 3.951 1054 R HA -0.193 4.145 4.340 -0.002 0.000 0.352 1054 R C 0.897 177.201 176.300 0.007 0.000 1.178 1054 R CA 0.998 57.105 56.100 0.012 0.000 0.949 1054 R CB -2.552 27.755 30.300 0.010 0.000 1.452 1054 R HN 1.041 nan 8.270 nan 0.000 0.540 1055 G N -0.170 108.634 108.800 0.007 0.000 2.137 1055 G HA2 -0.331 3.628 3.960 -0.002 0.000 0.237 1055 G HA3 -0.331 3.628 3.960 -0.002 0.000 0.237 1055 G C -0.117 174.778 174.900 -0.007 0.000 1.002 1055 G CA 0.659 45.761 45.100 0.003 0.000 0.702 1055 G HN 0.354 nan 8.290 nan 0.000 0.515 1056 K N 0.605 120.994 120.400 -0.018 0.000 2.471 1056 K HA 0.563 4.881 4.320 -0.002 0.000 0.252 1056 K C -0.560 175.998 176.600 -0.069 0.000 0.938 1056 K CA -0.538 55.726 56.287 -0.039 0.000 0.796 1056 K CB 1.782 34.261 32.500 -0.035 0.000 1.161 1056 K HN 0.120 nan 8.250 nan 0.000 0.425 1057 T N 2.866 117.349 114.554 -0.118 0.000 2.771 1057 T HA 0.390 4.738 4.350 -0.002 0.000 0.281 1057 T C -0.014 174.468 174.700 -0.364 0.000 0.982 1057 T CA -0.745 61.232 62.100 -0.206 0.000 0.978 1057 T CB 0.561 69.305 68.868 -0.207 0.000 0.930 1057 T HN 0.267 nan 8.240 nan 0.000 0.447 1058 L N 4.538 125.579 121.223 -0.303 0.000 2.257 1058 L HA 0.344 4.682 4.340 -0.002 0.000 0.290 1058 L C 0.205 176.846 176.870 -0.380 0.000 1.044 1058 L CA -0.941 53.716 54.840 -0.305 0.000 0.810 1058 L CB 0.384 42.336 42.059 -0.178 0.000 1.193 1058 L HN 0.594 nan 8.230 nan 0.000 0.425 1059 H N 5.504 124.496 119.070 -0.130 0.000 2.705 1059 H HA 0.470 5.024 4.556 -0.003 0.000 0.291 1059 H C -0.293 174.902 175.328 -0.222 0.000 1.085 1059 H CA -0.202 55.744 56.048 -0.170 0.000 1.357 1059 H CB 1.088 30.797 29.762 -0.088 0.000 1.419 1059 H HN 0.438 nan 8.280 nan 0.000 0.462 1060 I N 2.623 122.992 120.570 -0.334 0.000 2.509 1060 I HA 0.291 4.459 4.170 -0.002 0.000 0.293 1060 I C 0.047 176.033 176.117 -0.220 0.000 1.020 1060 I CA -0.642 60.453 61.300 -0.341 0.000 1.088 1060 I CB 2.271 39.930 38.000 -0.569 0.000 1.267 1060 I HN 0.218 nan 8.210 nan 0.000 0.430 1061 K N 4.865 125.334 120.400 0.115 0.000 2.545 1061 K HA 0.684 5.002 4.320 -0.002 0.000 0.252 1061 K C -0.923 175.865 176.600 0.313 0.000 0.948 1061 K CA -0.549 55.877 56.287 0.232 0.000 0.827 1061 K CB 1.861 34.444 32.500 0.138 0.000 1.128 1061 K HN 0.771 nan 8.250 nan 0.000 0.429 1062 A N 5.057 128.094 122.820 0.362 0.000 2.450 1062 A HA 0.248 4.566 4.320 -0.002 0.000 0.255 1062 A C 0.626 178.214 177.584 0.006 0.000 1.096 1062 A CA -0.133 51.967 52.037 0.106 0.000 0.778 1062 A CB 0.144 19.210 19.000 0.111 0.000 1.031 1062 A HN 0.892 nan 8.150 nan 0.000 0.494 1063 L N 1.325 122.494 121.223 -0.091 0.000 2.433 1063 L HA 0.507 4.846 4.340 -0.002 0.000 0.200 1063 L C 0.928 177.777 176.870 -0.036 0.000 1.059 1063 L CA 0.916 55.741 54.840 -0.025 0.000 0.835 1063 L CB -0.059 42.009 42.059 0.015 0.000 1.076 1063 L HN 0.812 nan 8.230 nan 0.000 0.481 1064 A N 0.093 122.900 122.820 -0.021 0.000 2.590 1064 A HA 0.530 4.849 4.320 -0.002 0.000 0.296 1064 A C -1.345 176.317 177.584 0.130 0.000 1.050 1064 A CA -0.446 51.611 52.037 0.033 0.000 0.697 1064 A CB 1.248 20.234 19.000 -0.023 0.000 1.277 1064 A HN -0.061 nan 8.150 nan 0.000 0.411 1065 V N 0.800 120.757 119.914 0.072 0.000 2.483 1065 V HA 0.878 4.997 4.120 -0.002 0.000 0.295 1065 V C 0.436 176.604 176.094 0.122 0.000 1.035 1065 V CA 0.205 62.553 62.300 0.079 0.000 0.896 1065 V CB 1.071 32.893 31.823 -0.001 0.000 0.986 1065 V HN 1.832 nan 8.190 nan 0.000 0.447 1066 S N 3.210 119.013 115.700 0.172 0.000 2.634 1066 S HA 0.443 4.911 4.470 -0.002 0.000 0.261 1066 S C -0.142 174.497 174.600 0.065 0.000 1.271 1066 S CA -0.099 58.192 58.200 0.153 0.000 0.985 1066 S CB 0.875 64.201 63.200 0.211 0.000 0.968 1066 S HN 1.135 nan 8.310 nan 0.000 0.568 1067 D N -0.241 120.188 120.400 0.049 0.000 2.388 1067 D HA 0.422 5.060 4.640 -0.002 0.000 0.254 1067 D C 0.007 176.322 176.300 0.025 0.000 1.111 1067 D CA -0.830 53.185 54.000 0.026 0.000 0.993 1067 D CB -0.043 40.767 40.800 0.017 0.000 1.118 1067 D HN 0.477 nan 8.370 nan 0.000 0.502 1068 L N 1.025 122.256 121.223 0.015 0.000 2.482 1068 L HA 0.125 4.463 4.340 -0.002 0.000 0.273 1068 L C 1.168 178.047 176.870 0.015 0.000 1.228 1068 L CA -0.013 54.834 54.840 0.013 0.000 0.827 1068 L CB -0.184 41.880 42.059 0.008 0.000 1.099 1068 L HN 0.557 nan 8.230 nan 0.000 0.494 1069 N N 0.521 119.229 118.700 0.014 0.000 3.312 1069 N HA 0.343 5.081 4.740 -0.002 0.000 0.361 1069 N C 0.724 176.241 175.510 0.012 0.000 1.476 1069 N CA -0.622 52.437 53.050 0.014 0.000 0.669 1069 N CB 0.228 38.724 38.487 0.015 0.000 1.629 1069 N HN 0.287 nan 8.380 nan 0.000 0.612 1070 R N -0.356 120.151 120.500 0.011 0.000 2.127 1070 R HA 0.008 4.347 4.340 -0.002 0.000 0.228 1070 R C 0.844 177.150 176.300 0.010 0.000 1.125 1070 R CA 2.027 58.133 56.100 0.010 0.000 0.904 1070 R CB -0.933 29.372 30.300 0.009 0.000 0.831 1070 R HN 0.693 nan 8.270 nan 0.000 0.431 1071 A N 0.944 123.770 122.820 0.009 0.000 2.958 1071 A HA 0.248 4.566 4.320 -0.002 0.000 0.247 1071 A C 0.716 178.308 177.584 0.014 0.000 1.679 1071 A CA 0.509 52.553 52.037 0.011 0.000 1.345 1071 A CB -0.941 18.065 19.000 0.009 0.000 1.013 1071 A HN 0.627 nan 8.150 nan 0.000 0.641 1072 G N 0.522 109.331 108.800 0.014 0.000 2.467 1072 G HA2 -0.280 3.678 3.960 -0.002 0.000 0.302 1072 G HA3 -0.280 3.678 3.960 -0.002 0.000 0.302 1072 G C 0.225 175.136 174.900 0.018 0.000 0.930 1072 G CA 1.001 46.110 45.100 0.016 0.000 1.008 1072 G HN 1.157 nan 8.290 nan 0.000 0.512 1073 Q N -1.577 118.231 119.800 0.014 0.000 2.445 1073 Q HA 0.785 5.124 4.340 -0.002 0.000 0.281 1073 Q C -0.203 175.801 176.000 0.006 0.000 1.101 1073 Q CA -1.294 54.518 55.803 0.014 0.000 0.833 1073 Q CB 1.794 30.540 28.738 0.012 0.000 1.416 1073 Q HN 0.331 nan 8.270 nan 0.000 0.451 1074 R N 0.277 120.777 120.500 0.001 0.000 2.832 1074 R HA 0.347 4.685 4.340 -0.002 0.000 0.271 1074 R C -0.971 175.306 176.300 -0.039 0.000 0.996 1074 R CA -0.811 55.285 56.100 -0.006 0.000 0.977 1074 R CB 2.069 32.366 30.300 -0.005 0.000 1.168 1074 R HN 0.654 nan 8.270 nan 0.000 0.482 1075 Q N 1.811 121.571 119.800 -0.066 0.000 2.325 1075 Q HA 0.336 4.675 4.340 -0.002 0.000 0.262 1075 Q C -1.208 174.565 176.000 -0.378 0.000 0.968 1075 Q CA -0.617 55.046 55.803 -0.233 0.000 0.877 1075 Q CB 1.602 30.178 28.738 -0.271 0.000 1.253 1075 Q HN 0.373 nan 8.270 nan 0.000 0.448 1076 V N 4.589 124.279 119.914 -0.374 0.000 2.481 1076 V HA 0.440 4.559 4.120 -0.002 0.000 0.286 1076 V C -0.564 175.185 176.094 -0.574 0.000 1.042 1076 V CA -0.518 61.573 62.300 -0.349 0.000 0.928 1076 V CB 0.764 32.501 31.823 -0.143 0.000 0.986 1076 V HN 0.625 nan 8.190 nan 0.000 0.462 1077 F N 4.162 123.935 119.950 -0.294 0.000 2.427 1077 F HA 0.712 5.237 4.527 -0.003 0.000 0.346 1077 F C -0.257 175.305 175.800 -0.397 0.000 1.120 1077 F CA -0.373 57.506 58.000 -0.201 0.000 1.033 1077 F CB 1.306 40.237 39.000 -0.115 0.000 1.126 1077 F HN 0.294 nan 8.300 nan 0.000 0.462 1078 F N 0.872 120.927 119.950 0.176 0.000 2.563 1078 F HA 0.380 4.905 4.527 -0.002 0.000 0.316 1078 F C -0.146 175.719 175.800 0.107 0.000 1.076 1078 F CA -1.008 57.067 58.000 0.126 0.000 0.921 1078 F CB 1.941 40.993 39.000 0.087 0.000 1.209 1078 F HN 0.343 nan 8.300 nan 0.000 0.462 1079 E N 2.290 122.663 120.200 0.289 0.000 2.174 1079 E HA 0.494 4.842 4.350 -0.002 0.000 0.282 1079 E C -1.689 175.001 176.600 0.150 0.000 0.992 1079 E CA -0.768 55.739 56.400 0.178 0.000 0.803 1079 E CB 1.396 31.168 29.700 0.119 0.000 1.090 1079 E HN 0.492 nan 8.360 nan 0.000 0.396 1080 L N 5.308 126.593 121.223 0.104 0.000 2.377 1080 L HA 0.345 4.684 4.340 -0.002 0.000 0.270 1080 L C -0.865 176.032 176.870 0.046 0.000 0.991 1080 L CA -0.014 54.854 54.840 0.047 0.000 0.851 1080 L CB 0.527 42.598 42.059 0.020 0.000 1.218 1080 L HN 0.742 nan 8.230 nan 0.000 0.420 1081 N N 4.121 122.861 118.700 0.066 0.000 2.714 1081 N HA -0.217 4.521 4.740 -0.002 0.000 0.252 1081 N C 0.951 176.505 175.510 0.074 0.000 1.014 1081 N CA 0.714 53.826 53.050 0.104 0.000 0.735 1081 N CB -0.910 37.619 38.487 0.070 0.000 0.924 1081 N HN 1.209 nan 8.380 nan 0.000 0.540 1082 G N -1.091 107.746 108.800 0.063 0.000 2.184 1082 G HA2 -0.375 3.584 3.960 -0.002 0.000 0.264 1082 G HA3 -0.375 3.584 3.960 -0.002 0.000 0.264 1082 G C -0.103 174.825 174.900 0.047 0.000 0.975 1082 G CA 0.536 45.663 45.100 0.044 0.000 0.642 1082 G HN 0.531 nan 8.290 nan 0.000 0.536 1083 Q N -0.592 119.241 119.800 0.056 0.000 2.256 1083 Q HA 0.610 4.949 4.340 -0.002 0.000 0.257 1083 Q C -0.294 175.755 176.000 0.082 0.000 0.936 1083 Q CA -1.039 54.799 55.803 0.059 0.000 0.903 1083 Q CB 1.905 30.673 28.738 0.050 0.000 1.263 1083 Q HN 0.266 nan 8.270 nan 0.000 0.440 1084 L N 3.818 125.092 121.223 0.084 0.000 2.361 1084 L HA 0.242 4.581 4.340 -0.002 0.000 0.278 1084 L C -0.826 176.124 176.870 0.134 0.000 1.113 1084 L CA 0.785 55.695 54.840 0.117 0.000 0.849 1084 L CB 0.137 42.256 42.059 0.100 0.000 1.155 1084 L HN 0.474 nan 8.230 nan 0.000 0.452 1085 R N 2.905 123.514 120.500 0.181 0.000 2.740 1085 R HA 0.709 5.047 4.340 -0.002 0.000 0.273 1085 R C -1.179 175.236 176.300 0.192 0.000 0.998 1085 R CA -0.579 55.620 56.100 0.164 0.000 0.900 1085 R CB 2.126 32.511 30.300 0.143 0.000 1.223 1085 R HN 0.769 nan 8.270 nan 0.000 0.466 1086 S N 0.694 116.449 115.700 0.092 0.000 2.556 1086 S HA 0.792 5.261 4.470 -0.002 0.000 0.271 1086 S C -0.650 173.932 174.600 -0.030 0.000 1.135 1086 S CA -0.775 57.397 58.200 -0.047 0.000 0.858 1086 S CB 1.598 64.603 63.200 -0.325 0.000 1.114 1086 S HN 0.426 nan 8.310 nan 0.000 0.468 1087 I N -0.892 119.654 120.570 -0.040 0.000 3.074 1087 I HA 0.702 4.870 4.170 -0.002 0.000 0.310 1087 I C -1.435 174.629 176.117 -0.088 0.000 1.153 1087 I CA -1.328 59.947 61.300 -0.041 0.000 0.993 1087 I CB 1.204 39.220 38.000 0.026 0.000 1.237 1087 I HN 0.658 nan 8.210 nan 0.000 0.443 1088 L N 3.774 124.938 121.223 -0.099 0.000 2.282 1088 L HA 0.800 5.138 4.340 -0.002 0.000 0.288 1088 L C -0.318 176.520 176.870 -0.054 0.000 1.033 1088 L CA -0.887 53.903 54.840 -0.083 0.000 0.807 1088 L CB 1.570 43.580 42.059 -0.081 0.000 1.209 1088 L HN 0.619 nan 8.230 nan 0.000 0.423 1089 V N 0.551 120.480 119.914 0.026 0.000 2.540 1089 V HA 0.553 4.671 4.120 -0.002 0.000 0.302 1089 V C -0.367 175.786 176.094 0.098 0.000 1.035 1089 V CA -1.008 61.372 62.300 0.133 0.000 0.873 1089 V CB 1.633 33.592 31.823 0.226 0.000 0.992 1089 V HN 0.712 nan 8.190 nan 0.000 0.428 1090 K N 2.275 122.760 120.400 0.143 0.000 2.339 1090 K HA 0.276 4.595 4.320 -0.002 0.000 0.286 1090 K C -0.497 176.146 176.600 0.071 0.000 1.050 1090 K CA -0.178 56.167 56.287 0.097 0.000 0.956 1090 K CB 1.177 33.743 32.500 0.110 0.000 0.990 1090 K HN 0.813 nan 8.250 nan 0.000 0.475 1091 D N 3.285 123.702 120.400 0.028 0.000 2.312 1091 D HA -0.007 4.631 4.640 -0.002 0.000 0.252 1091 D C -0.274 176.035 176.300 0.014 0.000 1.150 1091 D CA -0.166 53.832 54.000 -0.003 0.000 0.870 1091 D CB 1.002 41.795 40.800 -0.012 0.000 1.153 1091 D HN 0.565 nan 8.370 nan 0.000 0.457 1092 T N 1.717 116.275 114.554 0.006 0.000 3.842 1092 T HA 0.172 4.521 4.350 -0.002 0.000 0.267 1092 T C 0.561 175.269 174.700 0.014 0.000 1.173 1092 T CA -0.282 61.835 62.100 0.028 0.000 1.142 1092 T CB 0.686 69.580 68.868 0.043 0.000 1.191 1092 T HN 0.331 nan 8.240 nan 0.000 0.895 1093 Q N 0.641 120.450 119.800 0.015 0.000 1.891 1093 Q HA 0.457 4.795 4.340 -0.002 0.000 0.206 1093 Q C 1.723 177.731 176.000 0.014 0.000 0.710 1093 Q CA 0.500 56.309 55.803 0.010 0.000 0.840 1093 Q CB -0.214 28.525 28.738 0.001 0.000 1.211 1093 Q HN 0.655 nan 8.270 nan 0.000 0.424 1094 A N 0.422 123.253 122.820 0.018 0.000 2.123 1094 A HA 0.070 4.389 4.320 -0.002 0.000 0.214 1094 A C 1.716 179.316 177.584 0.026 0.000 1.152 1094 A CA 0.770 52.819 52.037 0.021 0.000 0.728 1094 A CB -0.295 18.718 19.000 0.022 0.000 0.814 1094 A HN 0.409 nan 8.150 nan 0.000 0.464 1095 M N -0.433 119.186 119.600 0.031 0.000 2.388 1095 M HA 0.076 4.554 4.480 -0.002 0.000 0.265 1095 M C -0.166 176.153 176.300 0.031 0.000 1.088 1095 M CA 1.134 56.456 55.300 0.037 0.000 1.134 1095 M CB -0.171 32.459 32.600 0.050 0.000 1.384 1095 M HN 0.130 nan 8.290 nan 0.000 0.447 1096 K N 2.579 122.994 120.400 0.024 0.000 2.385 1096 K HA 0.211 4.530 4.320 -0.002 0.000 0.229 1096 K C -0.636 175.973 176.600 0.015 0.000 1.089 1096 K CA -0.135 56.164 56.287 0.019 0.000 1.060 1096 K CB 0.591 33.100 32.500 0.015 0.000 1.698 1096 K HN 0.175 nan 8.250 nan 0.000 0.469 1097 E N 0.000 120.210 120.200 0.017 0.000 2.725 1097 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 1097 E CA 0.000 56.408 56.400 0.014 0.000 0.976 1097 E CB 0.000 29.706 29.700 0.011 0.000 0.812 1097 E HN 0.000 nan 8.360 nan 0.000 0.440