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 3nvv_1_C DATA FIRST_RESID 571 DATA SEQUENCE DTVGRPLPHL AAAMQASGEA VYCDDIPRYE NELFLRLVTS TRAHAKIKSI DATA SEQUENCE DVSEAQKVPG FVCFLSADDI PGSNETGLFN DETVFAKDTV TCVGHIIGAV DATA SEQUENCE VADTPEHAER AAHVVKVTYE DLPAIITIED AIKNNSFYGS ELKIEKGDLK DATA SEQUENCE KGFSEADNVV SGELYIGGQD HFYLETHCTI AIPKGEEGEM ELFVSTQNAM DATA SEQUENCE KTQSFVAKML GVPVNRILVR VKRMGGGFGG KETRSTLVSV AVALAAYKTG DATA SEQUENCE HPVRCMLDRN EDMLITGGRH PFLARYKVGF MKTGTIVALE VDHYSNAGNS DATA SEQUENCE RDLSHSIMER ALFHMDNCYK IPNIRGTGRL CKTNLSSNTA FRGFGGPQAL DATA SEQUENCE FIAENWMSEV AVTCGLPAEE VRWKNMYKEG DLTHFNQRLE GFSVPRCWDE DATA SEQUENCE CLKSSQYYAR KSEVDKFNKE NCWKKRGLCI IPTKFGISFT VPFLNQAGAL DATA SEQUENCE IHVYTDGSVL VSHGGTEMGQ GLHTKMVQVA SKALKIPISK IYISETSTNT DATA SEQUENCE VPNSSPTAAS VSTDIYGQAV YEACQTILKR LEPFKKKNPD GSWEDWVMAA DATA SEQUENCE YQDRVSLSTT GFYRTPNLGY SFETNSGNAF HYFTYGVACS EVEIDCLTGD DATA SEQUENCE HKNLRTDIVM DVGSSLNPAI DIGQVEGAFV QGLGLFTLEE LHYSPEGSLH DATA SEQUENCE TRGPSTYKIP AFGSIPTEFR VSLLRDCPNK KAIYASKAVG EPPLFLGASV DATA SEQUENCE FFAIKDAIRA ARAQHTNNNT KELFRLDSPA TPEKIRNACV DKFTTLcVTG DATA SEQUENCE APGNc 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 571 D HA 0.000 nan 4.640 nan 0.000 0.175 571 D C 0.000 176.253 176.300 -0.078 0.000 2.045 571 D CA 0.000 53.952 54.000 -0.080 0.000 0.868 571 D CB 0.000 40.748 40.800 -0.087 0.000 0.688 572 T N -0.597 113.910 114.554 -0.078 0.000 3.086 572 T HA 0.191 4.532 4.350 -0.016 0.000 0.250 572 T C 0.882 175.537 174.700 -0.074 0.000 1.074 572 T CA -0.010 62.052 62.100 -0.063 0.000 0.988 572 T CB 0.010 68.851 68.868 -0.046 0.000 0.988 572 T HN 0.123 nan 8.240 nan 0.000 0.530 573 V N 2.358 122.203 119.914 -0.115 0.000 2.493 573 V HA 0.441 4.551 4.120 -0.016 0.000 0.292 573 V C 1.689 177.724 176.094 -0.098 0.000 1.016 573 V CA 1.214 63.436 62.300 -0.131 0.000 1.097 573 V CB -0.303 31.360 31.823 -0.267 0.000 0.947 573 V HN 0.862 nan 8.190 nan 0.000 0.479 574 G N 4.713 113.477 108.800 -0.061 0.000 2.175 574 G HA2 -0.221 3.729 3.960 -0.016 0.000 0.244 574 G HA3 -0.221 3.729 3.960 -0.016 0.000 0.244 574 G C 0.233 175.112 174.900 -0.035 0.000 0.982 574 G CA -0.004 45.070 45.100 -0.043 0.000 0.641 574 G HN 0.617 nan 8.290 nan 0.000 0.527 575 R N 0.857 121.336 120.500 -0.036 0.000 2.486 575 R HA 0.489 4.820 4.340 -0.016 0.000 0.286 575 R C -2.207 174.082 176.300 -0.019 0.000 0.999 575 R CA -1.788 54.296 56.100 -0.027 0.000 0.993 575 R CB 1.409 31.691 30.300 -0.029 0.000 1.084 575 R HN 0.007 nan 8.270 nan 0.000 0.487 576 P HA 0.002 nan 4.420 nan 0.000 0.226 576 P C -0.731 176.569 177.300 0.000 0.000 1.783 576 P CA -0.168 62.928 63.100 -0.006 0.000 0.980 576 P CB -0.082 31.614 31.700 -0.006 0.000 1.967 577 L N 3.009 124.231 121.223 -0.002 0.000 2.410 577 L HA 0.342 4.672 4.340 -0.016 0.000 0.273 577 L C -2.284 174.597 176.870 0.018 0.000 1.144 577 L CA -1.917 52.925 54.840 0.003 0.000 0.863 577 L CB -0.348 41.706 42.059 -0.007 0.000 1.140 577 L HN -0.010 nan 8.230 nan 0.000 0.463 578 P HA -0.037 nan 4.420 nan 0.000 0.267 578 P C -0.735 176.620 177.300 0.091 0.000 1.200 578 P CA -0.030 63.110 63.100 0.066 0.000 0.772 578 P CB 0.193 31.932 31.700 0.065 0.000 0.855 579 H N 2.644 121.727 119.070 0.022 0.000 3.195 579 H HA -0.084 4.462 4.556 -0.016 0.000 0.302 579 H C 1.182 176.526 175.328 0.027 0.000 0.950 579 H CA 0.757 56.820 56.048 0.024 0.000 1.398 579 H CB 0.355 30.134 29.762 0.029 0.000 1.377 579 H HN 0.383 nan 8.280 nan 0.000 0.572 580 L N 4.317 125.562 121.223 0.035 0.000 2.127 580 L HA -0.203 4.128 4.340 -0.016 0.000 0.211 580 L C 2.325 179.305 176.870 0.182 0.000 1.089 580 L CA 1.535 56.426 54.840 0.084 0.000 0.757 580 L CB -0.302 41.758 42.059 0.002 0.000 0.899 580 L HN 0.642 nan 8.230 nan 0.000 0.434 581 A N -0.905 122.140 122.820 0.375 0.000 2.345 581 A HA 0.373 4.684 4.320 -0.016 0.000 0.225 581 A C 2.284 179.940 177.584 0.120 0.000 1.243 581 A CA 0.665 52.832 52.037 0.216 0.000 0.875 581 A CB -0.223 18.889 19.000 0.187 0.000 0.929 581 A HN 0.297 nan 8.150 nan 0.000 0.502 582 A N 0.343 123.246 122.820 0.137 0.000 1.902 582 A HA 0.111 4.421 4.320 -0.016 0.000 0.217 582 A C 2.420 180.032 177.584 0.047 0.000 1.181 582 A CA 1.925 53.989 52.037 0.044 0.000 0.623 582 A CB -0.806 18.238 19.000 0.073 0.000 0.818 582 A HN 1.000 nan 8.150 nan 0.000 0.443 583 A N -0.564 122.292 122.820 0.060 0.000 1.902 583 A HA -0.111 4.199 4.320 -0.016 0.000 0.217 583 A C 2.254 179.865 177.584 0.046 0.000 1.181 583 A CA 1.805 53.871 52.037 0.049 0.000 0.623 583 A CB -0.536 18.492 19.000 0.047 0.000 0.818 583 A HN 0.529 nan 8.150 nan 0.000 0.443 584 M N -0.961 118.668 119.600 0.049 0.000 2.229 584 M HA -0.207 4.264 4.480 -0.016 0.000 0.264 584 M C 2.354 178.684 176.300 0.049 0.000 1.063 584 M CA 1.524 56.850 55.300 0.042 0.000 1.114 584 M CB -0.365 32.257 32.600 0.037 0.000 1.387 584 M HN 0.498 nan 8.290 nan 0.000 0.420 585 Q N 0.059 119.889 119.800 0.050 0.000 2.079 585 Q HA -0.067 4.263 4.340 -0.016 0.000 0.200 585 Q C 2.253 178.298 176.000 0.076 0.000 0.974 585 Q CA 1.536 57.387 55.803 0.081 0.000 0.840 585 Q CB -0.261 28.513 28.738 0.060 0.000 0.898 585 Q HN 0.578 nan 8.270 nan 0.000 0.430 586 A N 0.953 123.806 122.820 0.055 0.000 2.019 586 A HA -0.147 4.164 4.320 -0.016 0.000 0.219 586 A C 2.100 179.713 177.584 0.048 0.000 1.164 586 A CA 1.633 53.701 52.037 0.051 0.000 0.644 586 A CB -0.336 18.690 19.000 0.044 0.000 0.805 586 A HN 0.405 nan 8.150 nan 0.000 0.449 587 S N -2.342 113.386 115.700 0.047 0.000 2.556 587 S HA 0.397 4.858 4.470 -0.016 0.000 0.216 587 S C 1.356 175.983 174.600 0.045 0.000 0.970 587 S CA 0.960 59.184 58.200 0.040 0.000 0.912 587 S CB -0.173 63.047 63.200 0.033 0.000 0.790 587 S HN 1.846 nan 8.310 nan 0.000 0.504 588 G N 1.412 110.250 108.800 0.063 0.000 2.153 588 G HA2 -0.298 3.653 3.960 -0.016 0.000 0.252 588 G HA3 -0.298 3.653 3.960 -0.016 0.000 0.252 588 G C 0.474 175.415 174.900 0.068 0.000 0.994 588 G CA 0.587 45.732 45.100 0.076 0.000 0.698 588 G HN 0.601 nan 8.290 nan 0.000 0.521 589 E N -0.057 120.174 120.200 0.051 0.000 2.318 589 E HA 0.376 4.716 4.350 -0.016 0.000 0.193 589 E C 1.790 178.399 176.600 0.015 0.000 0.998 589 E CA 0.324 56.742 56.400 0.030 0.000 0.859 589 E CB 0.167 29.880 29.700 0.022 0.000 0.812 589 E HN 0.768 nan 8.360 nan 0.000 0.492 590 A N 1.683 124.513 122.820 0.017 0.000 2.524 590 A HA 0.171 4.482 4.320 -0.016 0.000 0.250 590 A C 0.136 177.643 177.584 -0.129 0.000 1.078 590 A CA -0.077 51.913 52.037 -0.078 0.000 0.761 590 A CB 0.285 19.221 19.000 -0.108 0.000 1.012 590 A HN -0.007 nan 8.150 nan 0.000 0.500 591 V N 4.320 124.114 119.914 -0.200 0.000 2.383 591 V HA 0.323 4.433 4.120 -0.016 0.000 0.275 591 V C -0.474 175.438 176.094 -0.304 0.000 1.036 591 V CA -0.138 62.078 62.300 -0.140 0.000 0.889 591 V CB 0.037 31.801 31.823 -0.098 0.000 0.985 591 V HN 0.754 nan 8.190 nan 0.000 0.459 592 Y N 1.774 122.066 120.300 -0.014 0.000 2.568 592 Y HA 0.342 4.882 4.550 -0.016 0.000 0.327 592 Y C 1.595 177.484 175.900 -0.019 0.000 1.163 592 Y CA -0.477 57.615 58.100 -0.013 0.000 1.219 592 Y CB 0.566 39.018 38.460 -0.013 0.000 1.308 592 Y HN 0.649 nan 8.280 nan 0.000 0.503 593 C N 0.591 119.983 119.300 0.153 0.000 2.376 593 C HA -0.273 4.177 4.460 -0.016 0.000 0.275 593 C C 2.414 177.441 174.990 0.062 0.000 1.200 593 C CA 2.502 61.572 59.018 0.087 0.000 1.756 593 C CB -0.899 26.898 27.740 0.096 0.000 2.050 593 C HN 1.067 nan 8.230 nan 0.000 0.460 594 D N -0.373 120.079 120.400 0.086 0.000 2.347 594 D HA -0.045 4.585 4.640 -0.016 0.000 0.215 594 D C 1.456 177.791 176.300 0.059 0.000 0.976 594 D CA 0.835 54.880 54.000 0.076 0.000 0.884 594 D CB -0.312 40.539 40.800 0.084 0.000 0.915 594 D HN 0.564 nan 8.370 nan 0.000 0.526 595 D N -0.272 120.165 120.400 0.063 0.000 2.347 595 D HA 0.008 4.638 4.640 -0.016 0.000 0.213 595 D C 0.639 176.925 176.300 -0.024 0.000 0.985 595 D CA 0.087 54.111 54.000 0.040 0.000 0.879 595 D CB 0.207 41.055 40.800 0.081 0.000 0.919 595 D HN 0.363 nan 8.370 nan 0.000 0.526 596 I N 2.489 123.018 120.570 -0.069 0.000 2.683 596 I HA 0.000 4.161 4.170 -0.016 0.000 0.286 596 I C -1.885 174.144 176.117 -0.146 0.000 1.175 596 I CA -1.400 59.799 61.300 -0.168 0.000 1.429 596 I CB 0.231 38.051 38.000 -0.300 0.000 1.371 596 I HN -0.305 nan 8.210 nan 0.000 0.569 597 P HA 0.103 nan 4.420 nan 0.000 0.268 597 P C -0.920 176.263 177.300 -0.196 0.000 1.208 597 P CA -0.165 62.844 63.100 -0.153 0.000 0.777 597 P CB 0.485 32.079 31.700 -0.176 0.000 0.875 598 R N 1.482 121.917 120.500 -0.108 0.000 2.410 598 R HA 0.319 4.649 4.340 -0.016 0.000 0.288 598 R C -0.200 176.033 176.300 -0.112 0.000 1.051 598 R CA -0.283 55.774 56.100 -0.071 0.000 1.021 598 R CB 0.048 30.385 30.300 0.061 0.000 1.032 598 R HN 0.453 nan 8.270 nan 0.000 0.481 599 Y N 1.592 121.878 120.300 -0.024 0.000 2.457 599 Y HA -0.122 4.418 4.550 -0.016 0.000 0.341 599 Y C 1.809 177.710 175.900 0.003 0.000 1.240 599 Y CA 0.312 58.402 58.100 -0.016 0.000 1.437 599 Y CB 0.757 39.201 38.460 -0.026 0.000 1.328 599 Y HN 0.707 nan 8.280 nan 0.000 0.588 600 E N 0.288 120.607 120.200 0.199 0.000 2.160 600 E HA -0.277 4.064 4.350 -0.016 0.000 0.195 600 E C 0.555 177.229 176.600 0.125 0.000 0.991 600 E CA 1.670 58.144 56.400 0.123 0.000 0.810 600 E CB -0.290 29.466 29.700 0.094 0.000 0.742 600 E HN 0.701 nan 8.360 nan 0.000 0.466 601 N N 0.928 119.701 118.700 0.123 0.000 2.214 601 N HA 0.018 4.748 4.740 -0.016 0.000 0.214 601 N C -0.451 175.191 175.510 0.219 0.000 1.132 601 N CA -0.151 52.986 53.050 0.145 0.000 0.856 601 N CB 0.235 38.691 38.487 -0.052 0.000 1.020 601 N HN 0.213 nan 8.380 nan 0.000 0.509 602 E N 1.112 121.392 120.200 0.134 0.000 2.324 602 E HA 0.193 4.534 4.350 -0.016 0.000 0.271 602 E C -0.397 176.133 176.600 -0.116 0.000 1.028 602 E CA -0.285 56.123 56.400 0.014 0.000 0.890 602 E CB 0.594 30.272 29.700 -0.037 0.000 1.004 602 E HN 0.237 nan 8.360 nan 0.000 0.431 603 L N 3.551 124.672 121.223 -0.170 0.000 2.416 603 L HA 0.532 4.862 4.340 -0.016 0.000 0.263 603 L C -0.496 176.080 176.870 -0.490 0.000 1.065 603 L CA -0.965 53.767 54.840 -0.180 0.000 0.798 603 L CB 0.659 42.670 42.059 -0.079 0.000 1.267 603 L HN 0.516 nan 8.230 nan 0.000 0.467 604 F N 0.677 120.651 119.950 0.040 0.000 2.556 604 F HA 0.569 5.087 4.527 -0.016 0.000 0.314 604 F C -0.362 175.464 175.800 0.045 0.000 1.106 604 F CA -0.474 57.557 58.000 0.050 0.000 0.911 604 F CB 1.932 40.964 39.000 0.054 0.000 1.190 604 F HN 0.157 nan 8.300 nan 0.000 0.448 605 L N 3.428 124.778 121.223 0.212 0.000 2.329 605 L HA 0.779 5.109 4.340 -0.016 0.000 0.279 605 L C -0.989 175.983 176.870 0.169 0.000 1.014 605 L CA -0.727 54.201 54.840 0.147 0.000 0.814 605 L CB 1.557 43.678 42.059 0.103 0.000 1.257 605 L HN 0.732 nan 8.230 nan 0.000 0.424 606 R N 4.137 124.729 120.500 0.155 0.000 2.513 606 R HA 0.571 4.901 4.340 -0.016 0.000 0.301 606 R C -1.493 174.894 176.300 0.145 0.000 0.968 606 R CA -0.457 55.738 56.100 0.158 0.000 0.872 606 R CB 1.365 31.773 30.300 0.179 0.000 1.177 606 R HN 0.695 nan 8.270 nan 0.000 0.444 607 L N 3.646 124.953 121.223 0.140 0.000 2.439 607 L HA 0.320 4.650 4.340 -0.016 0.000 0.269 607 L C -0.318 176.636 176.870 0.140 0.000 1.179 607 L CA -0.499 54.428 54.840 0.145 0.000 0.828 607 L CB 1.135 43.282 42.059 0.147 0.000 1.106 607 L HN 0.332 nan 8.230 nan 0.000 0.467 608 V N 2.100 122.105 119.914 0.152 0.000 2.417 608 V HA 0.470 4.580 4.120 -0.016 0.000 0.291 608 V C 0.051 176.239 176.094 0.157 0.000 1.024 608 V CA -0.289 62.111 62.300 0.166 0.000 0.861 608 V CB 1.834 33.822 31.823 0.274 0.000 0.985 608 V HN 0.793 nan 8.190 nan 0.000 0.436 609 T N 2.713 117.347 114.554 0.134 0.000 2.900 609 T HA 0.328 4.668 4.350 -0.016 0.000 0.295 609 T C -0.231 174.565 174.700 0.159 0.000 1.044 609 T CA -0.268 61.920 62.100 0.146 0.000 0.995 609 T CB 1.795 70.737 68.868 0.124 0.000 1.072 609 T HN 0.740 nan 8.240 nan 0.000 0.473 610 S N 1.155 116.968 115.700 0.189 0.000 2.552 610 S HA 0.098 4.558 4.470 -0.016 0.000 0.289 610 S C 1.405 176.071 174.600 0.111 0.000 1.304 610 S CA 0.366 58.692 58.200 0.209 0.000 1.063 610 S CB 0.231 63.556 63.200 0.208 0.000 0.848 610 S HN 0.868 nan 8.310 nan 0.000 0.499 611 T N 2.827 117.413 114.554 0.053 0.000 3.105 611 T HA 0.363 4.703 4.350 -0.016 0.000 0.253 611 T C 0.333 174.914 174.700 -0.199 0.000 1.047 611 T CA -0.456 61.617 62.100 -0.046 0.000 0.944 611 T CB 0.018 68.893 68.868 0.011 0.000 1.016 611 T HN 0.428 nan 8.240 nan 0.000 0.544 612 R N 0.221 120.528 120.500 -0.321 0.000 2.740 612 R HA 0.769 5.099 4.340 -0.016 0.000 0.282 612 R C 1.012 177.250 176.300 -0.105 0.000 0.969 612 R CA -0.259 55.657 56.100 -0.308 0.000 0.918 612 R CB 1.375 31.325 30.300 -0.584 0.000 1.175 612 R HN 0.136 nan 8.270 nan 0.000 0.464 613 A N 1.040 123.830 122.820 -0.049 0.000 1.930 613 A HA -0.121 4.190 4.320 -0.016 0.000 0.217 613 A C 0.247 177.894 177.584 0.105 0.000 1.175 613 A CA 1.579 53.624 52.037 0.013 0.000 0.627 613 A CB -0.184 18.813 19.000 -0.005 0.000 0.815 613 A HN 0.632 nan 8.150 nan 0.000 0.443 614 H N -2.086 116.963 119.070 -0.035 0.000 3.179 614 H HA 0.624 5.170 4.556 -0.016 0.000 0.331 614 H C -0.947 174.383 175.328 0.002 0.000 1.013 614 H CA -0.470 55.580 56.048 0.003 0.000 1.430 614 H CB 0.828 30.587 29.762 -0.006 0.000 1.895 614 H HN 0.516 nan 8.280 nan 0.000 0.468 615 A N 4.084 126.919 122.820 0.025 0.000 2.597 615 A HA 0.512 4.823 4.320 -0.016 0.000 0.292 615 A C -1.277 176.347 177.584 0.066 0.000 1.057 615 A CA -1.007 51.021 52.037 -0.014 0.000 0.674 615 A CB 1.356 20.383 19.000 0.045 0.000 1.278 615 A HN 0.497 nan 8.150 nan 0.000 0.416 616 K N 0.721 121.151 120.400 0.050 0.000 2.218 616 K HA 0.546 4.856 4.320 -0.016 0.000 0.276 616 K C -0.841 175.820 176.600 0.102 0.000 1.022 616 K CA -0.058 56.266 56.287 0.061 0.000 0.946 616 K CB 1.078 33.589 32.500 0.018 0.000 1.000 616 K HN 0.526 nan 8.250 nan 0.000 0.468 617 I N 3.781 124.384 120.570 0.054 0.000 2.312 617 I HA 0.056 4.217 4.170 -0.016 0.000 0.291 617 I C 1.048 177.127 176.117 -0.063 0.000 1.031 617 I CA -0.232 61.048 61.300 -0.032 0.000 1.293 617 I CB 0.882 38.858 38.000 -0.039 0.000 1.403 617 I HN 0.436 nan 8.210 nan 0.000 0.484 618 K N 3.474 123.808 120.400 -0.110 0.000 2.308 618 K HA 0.203 4.513 4.320 -0.016 0.000 0.197 618 K C 0.244 176.785 176.600 -0.099 0.000 1.049 618 K CA 0.392 56.630 56.287 -0.081 0.000 0.991 618 K CB 0.395 32.859 32.500 -0.059 0.000 0.836 618 K HN 0.761 nan 8.250 nan 0.000 0.500 619 S N -0.538 115.072 115.700 -0.151 0.000 2.586 619 S HA 0.542 5.003 4.470 -0.016 0.000 0.277 619 S C -1.080 173.404 174.600 -0.193 0.000 1.131 619 S CA -1.020 57.095 58.200 -0.142 0.000 0.848 619 S CB 1.005 64.134 63.200 -0.119 0.000 1.091 619 S HN 0.002 nan 8.310 nan 0.000 0.453 620 I N 2.005 122.464 120.570 -0.184 0.000 2.439 620 I HA 0.425 4.586 4.170 -0.016 0.000 0.285 620 I C -1.365 174.589 176.117 -0.272 0.000 1.021 620 I CA -0.345 60.805 61.300 -0.251 0.000 1.091 620 I CB 1.857 39.696 38.000 -0.270 0.000 1.242 620 I HN 0.701 nan 8.210 nan 0.000 0.439 621 D N 6.156 126.398 120.400 -0.263 0.000 2.349 621 D HA 0.260 4.890 4.640 -0.016 0.000 0.232 621 D C 0.416 176.549 176.300 -0.278 0.000 1.071 621 D CA -0.402 53.461 54.000 -0.228 0.000 0.832 621 D CB 2.096 42.799 40.800 -0.162 0.000 1.086 621 D HN 0.358 nan 8.370 nan 0.000 0.504 622 V N 1.972 121.705 119.914 -0.301 0.000 3.376 622 V HA 0.113 4.224 4.120 -0.016 0.000 0.313 622 V C 1.581 177.506 176.094 -0.282 0.000 1.393 622 V CA 0.736 62.841 62.300 -0.325 0.000 1.125 622 V CB -0.415 31.198 31.823 -0.350 0.000 1.037 622 V HN 0.460 nan 8.190 nan 0.000 0.440 623 S N 0.647 116.221 115.700 -0.210 0.000 2.370 623 S HA -0.193 4.268 4.470 -0.016 0.000 0.226 623 S C 1.741 176.224 174.600 -0.195 0.000 1.033 623 S CA 1.593 59.685 58.200 -0.179 0.000 1.011 623 S CB -0.481 62.644 63.200 -0.125 0.000 0.852 623 S HN 0.628 nan 8.310 nan 0.000 0.457 624 E N 1.801 121.896 120.200 -0.175 0.000 2.158 624 E HA 0.161 4.502 4.350 -0.016 0.000 0.191 624 E C 2.381 178.857 176.600 -0.207 0.000 0.982 624 E CA 0.979 57.288 56.400 -0.152 0.000 0.823 624 E CB -0.653 28.987 29.700 -0.100 0.000 0.766 624 E HN 0.671 nan 8.360 nan 0.000 0.468 625 A N 1.162 123.812 122.820 -0.283 0.000 1.969 625 A HA -0.196 4.115 4.320 -0.016 0.000 0.218 625 A C 2.052 179.157 177.584 -0.798 0.000 1.169 625 A CA 1.177 52.984 52.037 -0.383 0.000 0.635 625 A CB -0.421 18.387 19.000 -0.320 0.000 0.810 625 A HN 0.188 nan 8.150 nan 0.000 0.445 626 Q N -0.343 118.926 119.800 -0.885 0.000 2.364 626 Q HA -0.084 4.246 4.340 -0.016 0.000 0.207 626 Q C 1.346 177.130 176.000 -0.359 0.000 0.970 626 Q CA 1.154 56.427 55.803 -0.882 0.000 0.888 626 Q CB -0.071 28.385 28.738 -0.471 0.000 0.951 626 Q HN 0.631 nan 8.270 nan 0.000 0.469 627 K N -0.021 120.223 120.400 -0.259 0.000 2.426 627 K HA 0.100 4.410 4.320 -0.016 0.000 0.193 627 K C -0.048 176.492 176.600 -0.099 0.000 1.028 627 K CA -0.001 56.206 56.287 -0.133 0.000 1.047 627 K CB 0.667 33.104 32.500 -0.105 0.000 0.821 627 K HN -0.040 nan 8.250 nan 0.000 0.513 628 V N 4.173 124.022 119.914 -0.109 0.000 2.508 628 V HA 0.061 4.171 4.120 -0.016 0.000 0.281 628 V C -2.174 173.868 176.094 -0.086 0.000 1.041 628 V CA -1.734 60.525 62.300 -0.067 0.000 1.016 628 V CB 0.421 32.242 31.823 -0.003 0.000 0.984 628 V HN 0.059 nan 8.190 nan 0.000 0.478 629 P HA 0.112 nan 4.420 nan 0.000 0.261 629 P C 0.966 178.005 177.300 -0.435 0.000 1.173 629 P CA 1.485 64.416 63.100 -0.282 0.000 0.760 629 P CB 0.360 31.841 31.700 -0.364 0.000 0.783 630 G N 2.257 110.975 108.800 -0.137 0.000 2.179 630 G HA2 -0.300 3.650 3.960 -0.016 0.000 0.260 630 G HA3 -0.300 3.650 3.960 -0.016 0.000 0.260 630 G C 0.090 175.044 174.900 0.089 0.000 0.977 630 G CA -0.340 44.766 45.100 0.010 0.000 0.641 630 G HN 0.560 nan 8.290 nan 0.000 0.533 631 F N 1.077 121.005 119.950 -0.036 0.000 2.578 631 F HA 0.434 4.951 4.527 -0.016 0.000 0.376 631 F C 1.302 177.114 175.800 0.020 0.000 1.085 631 F CA 0.778 58.786 58.000 0.014 0.000 1.260 631 F CB 1.002 40.004 39.000 0.003 0.000 1.095 631 F HN -0.077 nan 8.300 nan 0.000 0.573 632 V N 4.413 123.865 119.914 -0.771 0.000 2.735 632 V HA 0.083 4.193 4.120 -0.016 0.000 0.234 632 V C 0.411 176.083 176.094 -0.703 0.000 1.121 632 V CA 1.062 63.044 62.300 -0.530 0.000 1.160 632 V CB 0.341 31.961 31.823 -0.338 0.000 0.908 632 V HN 1.016 nan 8.190 nan 0.000 0.495 633 C N -1.864 116.858 119.300 -0.964 0.000 3.312 633 C HA 0.703 5.154 4.460 -0.016 0.000 0.332 633 C C -1.178 173.685 174.990 -0.211 0.000 1.340 633 C CA -1.337 57.408 59.018 -0.455 0.000 1.265 633 C CB 0.848 28.492 27.740 -0.160 0.000 1.563 633 C HN 0.316 nan 8.230 nan 0.000 0.471 634 F N 1.767 121.767 119.950 0.083 0.000 2.436 634 F HA 0.819 5.337 4.527 -0.016 0.000 0.340 634 F C -0.653 175.128 175.800 -0.032 0.000 1.113 634 F CA -1.005 57.045 58.000 0.084 0.000 1.022 634 F CB 0.847 39.943 39.000 0.160 0.000 1.128 634 F HN 0.669 nan 8.300 nan 0.000 0.466 635 L N 5.776 126.476 121.223 -0.872 0.000 2.317 635 L HA 0.679 5.010 4.340 -0.016 0.000 0.281 635 L C -0.271 175.825 176.870 -1.290 0.000 1.024 635 L CA -0.498 53.898 54.840 -0.739 0.000 0.810 635 L CB 1.777 43.578 42.059 -0.430 0.000 1.240 635 L HN 0.792 nan 8.230 nan 0.000 0.427 636 S N 0.893 116.156 115.700 -0.728 0.000 0.000 636 S HA 0.631 5.091 4.470 -0.016 0.000 0.000 636 S C 0.608 175.134 174.600 -0.124 0.000 0.000 636 S CA -0.131 57.712 58.200 -0.595 0.000 0.000 636 S CB 1.381 64.518 63.200 -0.104 0.000 0.000 636 S HN 0.606 nan 8.310 nan 0.000 0.000 637 A N 0.878 123.746 122.820 0.080 0.000 1.948 637 A HA -0.128 4.183 4.320 -0.016 0.000 0.220 637 A C 1.563 179.216 177.584 0.115 0.000 1.177 637 A CA 2.232 54.389 52.037 0.199 0.000 0.636 637 A CB -1.435 17.654 19.000 0.148 0.000 0.815 637 A HN 0.832 nan 8.150 nan 0.000 0.449 638 D N 0.328 120.770 120.400 0.071 0.000 2.271 638 D HA -0.123 4.507 4.640 -0.016 0.000 0.207 638 D C 0.964 177.302 176.300 0.064 0.000 0.983 638 D CA 1.274 55.309 54.000 0.059 0.000 0.878 638 D CB -0.305 40.526 40.800 0.052 0.000 0.920 638 D HN 0.497 nan 8.370 nan 0.000 0.479 639 D N -0.098 120.346 120.400 0.072 0.000 2.347 639 D HA 0.033 4.663 4.640 -0.016 0.000 0.213 639 D C 0.805 177.167 176.300 0.103 0.000 0.985 639 D CA -0.010 54.043 54.000 0.089 0.000 0.879 639 D CB 0.758 41.601 40.800 0.071 0.000 0.919 639 D HN 0.276 nan 8.370 nan 0.000 0.526 640 I N 3.477 124.097 120.570 0.084 0.000 2.517 640 I HA -0.014 4.146 4.170 -0.016 0.000 0.285 640 I C -0.935 175.157 176.117 -0.042 0.000 1.106 640 I CA -1.107 60.202 61.300 0.015 0.000 1.402 640 I CB 1.244 39.255 38.000 0.019 0.000 1.399 640 I HN -0.175 nan 8.210 nan 0.000 0.535 641 P HA 0.008 nan 4.420 nan 0.000 0.224 641 P C 1.005 178.231 177.300 -0.124 0.000 1.157 641 P CA 0.769 63.781 63.100 -0.147 0.000 0.799 641 P CB 0.514 32.011 31.700 -0.339 0.000 0.809 642 G N -0.492 108.220 108.800 -0.146 0.000 2.651 642 G HA2 0.191 4.142 3.960 -0.016 0.000 0.226 642 G HA3 0.191 4.142 3.960 -0.016 0.000 0.226 642 G C -0.185 174.668 174.900 -0.078 0.000 1.542 642 G CA 0.320 45.355 45.100 -0.108 0.000 0.868 642 G HN 0.384 nan 8.290 nan 0.000 0.588 643 S N -0.658 114.989 115.700 -0.088 0.000 2.575 643 S HA 0.364 4.825 4.470 -0.016 0.000 0.278 643 S C -0.445 174.103 174.600 -0.087 0.000 1.139 643 S CA -0.614 57.540 58.200 -0.076 0.000 0.954 643 S CB 1.727 64.876 63.200 -0.084 0.000 1.054 643 S HN 0.197 nan 8.310 nan 0.000 0.483 644 N N 2.928 121.591 118.700 -0.061 0.000 2.314 644 N HA 0.154 4.885 4.740 -0.016 0.000 0.200 644 N C -0.496 174.967 175.510 -0.077 0.000 1.135 644 N CA 0.163 53.177 53.050 -0.061 0.000 0.835 644 N CB 0.250 38.734 38.487 -0.004 0.000 0.989 644 N HN 0.687 nan 8.380 nan 0.000 0.478 645 E N -0.394 119.748 120.200 -0.096 0.000 2.134 645 E HA 0.317 4.657 4.350 -0.016 0.000 0.278 645 E C -0.579 175.902 176.600 -0.199 0.000 0.959 645 E CA -0.305 56.031 56.400 -0.107 0.000 0.783 645 E CB 1.731 31.386 29.700 -0.075 0.000 1.095 645 E HN 0.008 nan 8.360 nan 0.000 0.399 646 T N 1.360 115.769 114.554 -0.241 0.000 2.647 646 T HA 0.751 5.091 4.350 -0.016 0.000 0.295 646 T C -0.890 173.570 174.700 -0.400 0.000 1.126 646 T CA 0.271 62.091 62.100 -0.467 0.000 1.040 646 T CB 1.432 70.018 68.868 -0.470 0.000 1.472 646 T HN 0.809 nan 8.240 nan 0.000 0.500 647 G N 0.502 108.952 108.800 -0.584 0.000 2.663 647 G HA2 -0.003 3.947 3.960 -0.016 0.000 0.686 647 G HA3 -0.003 3.947 3.960 -0.016 0.000 0.686 647 G C 0.231 175.128 174.900 -0.005 0.000 1.246 647 G CA -0.121 44.900 45.100 -0.131 0.000 0.795 647 G HN 1.090 nan 8.290 nan 0.000 0.627 648 L N 0.079 121.433 121.223 0.218 0.000 2.081 648 L HA 0.205 4.535 4.340 -0.016 0.000 0.212 648 L C 1.999 178.690 176.870 -0.299 0.000 1.080 648 L CA 2.418 57.308 54.840 0.083 0.000 0.754 648 L CB -0.431 41.654 42.059 0.044 0.000 0.893 648 L HN 0.564 nan 8.230 nan 0.000 0.433 649 F N -0.748 119.232 119.950 0.050 0.000 2.708 649 F HA 0.287 4.805 4.527 -0.016 0.000 0.300 649 F C 1.091 176.875 175.800 -0.027 0.000 1.118 649 F CA -0.435 57.569 58.000 0.007 0.000 1.307 649 F CB -0.248 38.738 39.000 -0.022 0.000 0.986 649 F HN 0.031 nan 8.300 nan 0.000 0.522 650 N N 1.836 120.550 118.700 0.023 0.000 2.725 650 N HA -0.190 4.540 4.740 -0.016 0.000 0.249 650 N C -0.184 175.327 175.510 0.003 0.000 1.103 650 N CA 1.235 54.263 53.050 -0.037 0.000 0.707 650 N CB -0.800 37.665 38.487 -0.036 0.000 1.043 650 N HN 0.538 nan 8.380 nan 0.000 0.553 651 D N -1.134 119.281 120.400 0.024 0.000 2.535 651 D HA 0.159 4.790 4.640 -0.016 0.000 0.229 651 D C 0.166 176.482 176.300 0.027 0.000 1.238 651 D CA 0.092 54.113 54.000 0.035 0.000 0.824 651 D CB 0.249 41.073 40.800 0.040 0.000 1.045 651 D HN 0.348 nan 8.370 nan 0.000 0.500 652 E N -0.091 120.109 120.200 0.000 0.000 2.320 652 E HA 0.509 4.850 4.350 -0.016 0.000 0.264 652 E C -0.429 176.178 176.600 0.011 0.000 0.923 652 E CA -0.933 55.477 56.400 0.016 0.000 0.796 652 E CB 1.756 31.450 29.700 -0.009 0.000 1.262 652 E HN 0.134 nan 8.360 nan 0.000 0.428 653 T N -2.085 112.513 114.554 0.074 0.000 2.929 653 T HA 0.260 4.600 4.350 -0.016 0.000 0.284 653 T C 1.016 175.704 174.700 -0.019 0.000 1.014 653 T CA -0.823 61.302 62.100 0.041 0.000 1.051 653 T CB 1.378 70.307 68.868 0.102 0.000 1.028 653 T HN 0.157 nan 8.240 nan 0.000 0.485 654 V N 0.278 120.119 119.914 -0.123 0.000 2.270 654 V HA 0.140 4.251 4.120 -0.016 0.000 0.245 654 V C 0.307 176.187 176.094 -0.357 0.000 1.043 654 V CA 1.169 63.277 62.300 -0.319 0.000 1.014 654 V CB -0.659 30.893 31.823 -0.452 0.000 0.645 654 V HN 0.847 nan 8.190 nan 0.000 0.447 655 F N -0.842 119.105 119.950 -0.005 0.000 2.518 655 F HA 0.692 5.210 4.527 -0.016 0.000 0.323 655 F C 0.272 176.051 175.800 -0.035 0.000 1.129 655 F CA -0.936 57.053 58.000 -0.020 0.000 0.920 655 F CB 1.233 40.210 39.000 -0.037 0.000 1.160 655 F HN 0.009 nan 8.300 nan 0.000 0.440 656 A N 3.278 126.154 122.820 0.093 0.000 2.511 656 A HA 0.214 4.525 4.320 -0.016 0.000 0.242 656 A C 0.827 178.418 177.584 0.013 0.000 1.069 656 A CA -0.071 51.917 52.037 -0.081 0.000 0.763 656 A CB 0.798 19.532 19.000 -0.443 0.000 1.001 656 A HN 0.856 nan 8.150 nan 0.000 0.498 657 K N 0.487 120.903 120.400 0.027 0.000 2.218 657 K HA 0.071 4.382 4.320 -0.016 0.000 0.214 657 K C 0.645 177.262 176.600 0.029 0.000 1.033 657 K CA 1.796 58.108 56.287 0.042 0.000 0.949 657 K CB 0.230 32.761 32.500 0.051 0.000 0.993 657 K HN 0.667 nan 8.250 nan 0.000 0.464 658 D N -0.464 119.957 120.400 0.035 0.000 2.422 658 D HA 0.050 4.681 4.640 -0.016 0.000 0.218 658 D C -0.088 176.240 176.300 0.048 0.000 1.047 658 D CA 0.677 54.698 54.000 0.034 0.000 0.885 658 D CB 0.798 41.620 40.800 0.036 0.000 1.035 658 D HN 0.416 nan 8.370 nan 0.000 0.502 659 T N -0.515 114.079 114.554 0.068 0.000 2.921 659 T HA 0.515 4.855 4.350 -0.016 0.000 0.297 659 T C -0.267 174.513 174.700 0.134 0.000 1.013 659 T CA -0.880 61.288 62.100 0.113 0.000 0.990 659 T CB 2.272 71.227 68.868 0.145 0.000 1.023 659 T HN -0.108 nan 8.240 nan 0.000 0.447 660 V N 1.477 121.504 119.914 0.188 0.000 2.617 660 V HA 0.831 4.941 4.120 -0.016 0.000 0.298 660 V C 0.790 177.144 176.094 0.433 0.000 1.048 660 V CA -0.051 62.410 62.300 0.268 0.000 0.964 660 V CB 1.103 33.063 31.823 0.228 0.000 1.004 660 V HN 1.193 nan 8.190 nan 0.000 0.466 661 T N -1.350 113.551 114.554 0.579 0.000 3.111 661 T HA 0.376 4.716 4.350 -0.016 0.000 0.284 661 T C 0.221 174.945 174.700 0.040 0.000 0.983 661 T CA 0.382 62.603 62.100 0.202 0.000 0.900 661 T CB -0.657 68.246 68.868 0.058 0.000 1.132 661 T HN 1.576 nan 8.240 nan 0.000 0.531 662 C N -0.550 118.815 119.300 0.108 0.000 3.311 662 C HA 0.814 5.264 4.460 -0.016 0.000 0.325 662 C C -0.279 174.768 174.990 0.095 0.000 1.352 662 C CA -1.238 57.806 59.018 0.044 0.000 1.308 662 C CB 0.964 28.690 27.740 -0.024 0.000 1.619 662 C HN 0.170 nan 8.230 nan 0.000 0.469 663 V N 2.568 122.514 119.914 0.053 0.000 2.585 663 V HA 0.500 4.610 4.120 -0.016 0.000 0.296 663 V C 1.604 177.751 176.094 0.089 0.000 1.035 663 V CA 2.245 64.579 62.300 0.057 0.000 1.084 663 V CB 0.313 32.154 31.823 0.030 0.000 0.953 663 V HN 2.253 nan 8.190 nan 0.000 0.483 664 G N 2.860 111.726 108.800 0.110 0.000 2.195 664 G HA2 -0.274 3.676 3.960 -0.016 0.000 0.246 664 G HA3 -0.274 3.676 3.960 -0.016 0.000 0.246 664 G C 0.261 175.269 174.900 0.181 0.000 0.984 664 G CA 0.345 45.518 45.100 0.122 0.000 0.633 664 G HN 0.969 nan 8.290 nan 0.000 0.525 665 H N 0.534 119.656 119.070 0.087 0.000 3.004 665 H HA 0.385 4.932 4.556 -0.016 0.000 0.316 665 H C 0.767 176.174 175.328 0.130 0.000 1.014 665 H CA -0.459 55.649 56.048 0.101 0.000 1.454 665 H CB 0.210 30.036 29.762 0.106 0.000 1.472 665 H HN 0.271 nan 8.280 nan 0.000 0.571 666 I N 7.201 127.990 120.570 0.365 0.000 2.452 666 I HA -0.110 4.050 4.170 -0.016 0.000 0.287 666 I C 0.913 177.151 176.117 0.202 0.000 1.079 666 I CA 0.296 61.751 61.300 0.258 0.000 1.387 666 I CB 0.799 38.958 38.000 0.264 0.000 1.404 666 I HN 0.690 nan 8.210 nan 0.000 0.522 667 I N 4.602 125.276 120.570 0.174 0.000 2.927 667 I HA 0.270 4.431 4.170 -0.016 0.000 0.268 667 I C 1.216 177.344 176.117 0.019 0.000 1.153 667 I CA 0.293 61.660 61.300 0.112 0.000 1.459 667 I CB 0.126 38.195 38.000 0.114 0.000 1.149 667 I HN 0.746 nan 8.210 nan 0.000 0.443 668 G N 0.163 108.903 108.800 -0.100 0.000 2.490 668 G HA2 0.723 4.673 3.960 -0.016 0.000 0.308 668 G HA3 0.723 4.673 3.960 -0.016 0.000 0.308 668 G C -2.092 172.502 174.900 -0.509 0.000 1.286 668 G CA 0.121 44.709 45.100 -0.853 0.000 0.825 668 G HN 0.195 nan 8.290 nan 0.000 0.479 669 A N -1.241 121.101 122.820 -0.797 0.000 2.549 669 A HA 0.775 5.086 4.320 -0.016 0.000 0.297 669 A C -1.188 176.246 177.584 -0.249 0.000 1.061 669 A CA -0.455 51.428 52.037 -0.257 0.000 0.690 669 A CB 1.788 20.767 19.000 -0.033 0.000 1.287 669 A HN 1.477 nan 8.150 nan 0.000 0.402 670 V N 1.416 121.370 119.914 0.067 0.000 2.539 670 V HA 0.523 4.633 4.120 -0.016 0.000 0.292 670 V C -0.190 175.928 176.094 0.039 0.000 1.045 670 V CA -0.345 62.050 62.300 0.158 0.000 0.945 670 V CB 1.598 33.628 31.823 0.345 0.000 0.993 670 V HN 0.682 nan 8.190 nan 0.000 0.464 671 V N 3.757 123.613 119.914 -0.096 0.000 2.555 671 V HA 0.936 5.046 4.120 -0.016 0.000 0.302 671 V C 0.214 176.218 176.094 -0.151 0.000 1.038 671 V CA -0.179 62.063 62.300 -0.097 0.000 0.887 671 V CB 1.347 33.087 31.823 -0.138 0.000 0.991 671 V HN 1.089 nan 8.190 nan 0.000 0.434 672 A N 2.728 125.563 122.820 0.026 0.000 2.567 672 A HA 0.707 5.017 4.320 -0.016 0.000 0.289 672 A C 0.325 178.031 177.584 0.203 0.000 1.177 672 A CA -0.061 52.025 52.037 0.082 0.000 0.694 672 A CB 1.446 20.562 19.000 0.193 0.000 1.292 672 A HN 0.751 nan 8.150 nan 0.000 0.425 673 D N -0.453 120.087 120.400 0.232 0.000 2.323 673 D HA 0.061 4.692 4.640 -0.016 0.000 0.209 673 D C 0.661 177.172 176.300 0.351 0.000 0.973 673 D CA 1.562 55.730 54.000 0.280 0.000 0.874 673 D CB -0.189 40.743 40.800 0.221 0.000 0.930 673 D HN 0.730 nan 8.370 nan 0.000 0.521 674 T N -4.469 110.186 114.554 0.167 0.000 2.896 674 T HA 0.405 4.745 4.350 -0.016 0.000 0.297 674 T C -2.385 172.063 174.700 -0.420 0.000 1.108 674 T CA -1.566 60.338 62.100 -0.327 0.000 1.004 674 T CB 2.859 71.469 68.868 -0.429 0.000 1.159 674 T HN -0.348 nan 8.240 nan 0.000 0.499 675 P HA -0.047 nan 4.420 nan 0.000 0.218 675 P C 0.907 178.112 177.300 -0.159 0.000 1.149 675 P CA 1.147 64.022 63.100 -0.374 0.000 0.817 675 P CB 0.244 31.687 31.700 -0.428 0.000 0.785 676 E N -0.874 119.189 120.200 -0.229 0.000 2.077 676 E HA -0.184 4.156 4.350 -0.016 0.000 0.193 676 E C 2.169 178.764 176.600 -0.008 0.000 0.989 676 E CA 1.163 57.479 56.400 -0.141 0.000 0.800 676 E CB -0.852 28.716 29.700 -0.218 0.000 0.746 676 E HN 0.415 nan 8.360 nan 0.000 0.452 677 H N -0.390 118.676 119.070 -0.007 0.000 2.395 677 H HA 0.165 4.712 4.556 -0.016 0.000 0.299 677 H C 1.948 177.340 175.328 0.108 0.000 1.070 677 H CA 1.183 57.264 56.048 0.054 0.000 1.356 677 H CB -0.542 29.262 29.762 0.069 0.000 1.401 677 H HN 0.219 nan 8.280 nan 0.000 0.524 678 A N 0.947 123.901 122.820 0.224 0.000 1.902 678 A HA -0.204 4.106 4.320 -0.016 0.000 0.217 678 A C 2.376 180.092 177.584 0.219 0.000 1.181 678 A CA 1.793 53.962 52.037 0.220 0.000 0.623 678 A CB -0.414 18.707 19.000 0.200 0.000 0.818 678 A HN 0.514 nan 8.150 nan 0.000 0.443 679 E N -0.356 119.950 120.200 0.176 0.000 2.031 679 E HA -0.220 4.121 4.350 -0.016 0.000 0.193 679 E C 2.326 179.061 176.600 0.224 0.000 0.994 679 E CA 1.097 57.618 56.400 0.202 0.000 0.800 679 E CB -0.144 29.615 29.700 0.100 0.000 0.752 679 E HN 0.554 nan 8.360 nan 0.000 0.447 680 R N -0.122 120.457 120.500 0.132 0.000 2.083 680 R HA -0.167 4.164 4.340 -0.016 0.000 0.237 680 R C 2.404 178.799 176.300 0.159 0.000 1.137 680 R CA 1.270 57.430 56.100 0.100 0.000 0.951 680 R CB -0.365 29.999 30.300 0.107 0.000 0.851 680 R HN 0.208 nan 8.270 nan 0.000 0.434 681 A N 0.985 123.924 122.820 0.200 0.000 1.898 681 A HA -0.084 4.226 4.320 -0.016 0.000 0.216 681 A C 2.359 180.067 177.584 0.206 0.000 1.181 681 A CA 1.597 53.752 52.037 0.198 0.000 0.620 681 A CB -0.580 18.633 19.000 0.355 0.000 0.819 681 A HN 0.413 nan 8.150 nan 0.000 0.442 682 A N -0.771 122.204 122.820 0.259 0.000 1.908 682 A HA -0.195 4.116 4.320 -0.016 0.000 0.218 682 A C 1.930 179.604 177.584 0.150 0.000 1.181 682 A CA 1.998 54.167 52.037 0.220 0.000 0.627 682 A CB -0.917 18.210 19.000 0.213 0.000 0.818 682 A HN 0.644 nan 8.150 nan 0.000 0.445 683 H N -1.593 117.527 119.070 0.084 0.000 2.489 683 H HA 0.026 4.572 4.556 -0.016 0.000 0.293 683 H C 1.558 176.908 175.328 0.035 0.000 1.066 683 H CA 1.468 57.553 56.048 0.061 0.000 1.305 683 H CB 0.077 29.873 29.762 0.056 0.000 1.386 683 H HN 0.263 nan 8.280 nan 0.000 0.551 684 V N 0.397 120.388 119.914 0.127 0.000 3.621 684 V HA 0.046 4.156 4.120 -0.016 0.000 0.285 684 V C 0.200 176.280 176.094 -0.024 0.000 1.346 684 V CA 0.072 62.397 62.300 0.042 0.000 1.104 684 V CB 0.183 32.019 31.823 0.022 0.000 0.913 684 V HN 0.030 nan 8.190 nan 0.000 0.432 685 V N 1.984 121.884 119.914 -0.023 0.000 2.572 685 V HA 0.123 4.233 4.120 -0.016 0.000 0.291 685 V C 0.238 176.277 176.094 -0.091 0.000 1.039 685 V CA 0.115 62.355 62.300 -0.101 0.000 1.055 685 V CB 0.628 32.393 31.823 -0.096 0.000 0.969 685 V HN 0.425 nan 8.190 nan 0.000 0.482 686 K N 4.152 124.472 120.400 -0.133 0.000 2.307 686 K HA 0.668 4.979 4.320 -0.016 0.000 0.263 686 K C -1.192 175.312 176.600 -0.160 0.000 0.973 686 K CA -0.592 55.632 56.287 -0.106 0.000 0.846 686 K CB 2.111 34.557 32.500 -0.089 0.000 1.100 686 K HN 0.449 nan 8.250 nan 0.000 0.438 687 V N 2.233 122.047 119.914 -0.166 0.000 2.513 687 V HA 0.348 4.458 4.120 -0.016 0.000 0.299 687 V C -0.134 175.693 176.094 -0.444 0.000 1.035 687 V CA -0.738 61.350 62.300 -0.354 0.000 0.889 687 V CB 1.853 33.402 31.823 -0.457 0.000 0.988 687 V HN 0.745 nan 8.190 nan 0.000 0.440 688 T N 4.393 118.666 114.554 -0.468 0.000 2.797 688 T HA 0.710 5.051 4.350 -0.016 0.000 0.279 688 T C -1.076 173.373 174.700 -0.417 0.000 0.991 688 T CA -0.163 61.753 62.100 -0.307 0.000 0.979 688 T CB 0.741 69.516 68.868 -0.155 0.000 0.943 688 T HN 0.480 nan 8.240 nan 0.000 0.444 689 Y N 0.686 120.978 120.300 -0.014 0.000 2.602 689 Y HA 0.558 5.098 4.550 -0.016 0.000 0.342 689 Y C 0.328 176.217 175.900 -0.018 0.000 1.029 689 Y CA -1.249 56.843 58.100 -0.013 0.000 1.080 689 Y CB 1.673 40.129 38.460 -0.005 0.000 1.284 689 Y HN 0.529 nan 8.280 nan 0.000 0.485 690 E N 1.820 122.114 120.200 0.158 0.000 2.182 690 E HA 0.213 4.554 4.350 -0.016 0.000 0.258 690 E C -1.500 175.121 176.600 0.035 0.000 0.879 690 E CA -0.811 55.631 56.400 0.069 0.000 0.754 690 E CB 0.769 30.484 29.700 0.026 0.000 1.162 690 E HN 0.571 nan 8.360 nan 0.000 0.419 691 D N 3.596 124.002 120.400 0.009 0.000 2.443 691 D HA 0.165 4.795 4.640 -0.016 0.000 0.239 691 D C -0.056 176.190 176.300 -0.090 0.000 1.136 691 D CA 0.539 54.513 54.000 -0.044 0.000 0.879 691 D CB 0.795 41.573 40.800 -0.037 0.000 1.195 691 D HN 0.406 nan 8.370 nan 0.000 0.443 692 L N 2.387 123.506 121.223 -0.174 0.000 2.323 692 L HA 0.407 4.737 4.340 -0.016 0.000 0.265 692 L C -2.268 174.543 176.870 -0.098 0.000 1.012 692 L CA -2.134 52.558 54.840 -0.247 0.000 0.820 692 L CB 1.786 43.447 42.059 -0.664 0.000 1.334 692 L HN 0.090 nan 8.230 nan 0.000 0.427 693 P HA 0.147 nan 4.420 nan 0.000 0.267 693 P C -1.059 176.342 177.300 0.169 0.000 1.209 693 P CA 0.008 63.140 63.100 0.053 0.000 0.763 693 P CB 0.771 32.491 31.700 0.034 0.000 0.816 694 A N 3.901 126.779 122.820 0.097 0.000 2.311 694 A HA 0.762 5.072 4.320 -0.016 0.000 0.334 694 A C -0.562 177.010 177.584 -0.020 0.000 1.139 694 A CA -0.743 51.337 52.037 0.071 0.000 0.830 694 A CB 0.744 19.776 19.000 0.053 0.000 1.234 694 A HN 0.489 nan 8.150 nan 0.000 0.483 695 I N 2.345 122.868 120.570 -0.078 0.000 2.439 695 I HA 0.257 4.417 4.170 -0.016 0.000 0.285 695 I C -0.162 175.880 176.117 -0.126 0.000 1.021 695 I CA -0.315 60.918 61.300 -0.111 0.000 1.091 695 I CB 1.560 39.468 38.000 -0.152 0.000 1.242 695 I HN 0.552 nan 8.210 nan 0.000 0.439 696 I N 2.499 122.998 120.570 -0.118 0.000 3.366 696 I HA 0.071 4.231 4.170 -0.016 0.000 0.267 696 I C 1.358 177.389 176.117 -0.144 0.000 1.149 696 I CA 0.864 62.079 61.300 -0.142 0.000 1.436 696 I CB -0.442 37.479 38.000 -0.132 0.000 1.379 696 I HN 0.503 nan 8.210 nan 0.000 0.460 697 T N -0.845 113.640 114.554 -0.115 0.000 2.902 697 T HA 0.515 4.856 4.350 -0.016 0.000 0.280 697 T C 1.453 176.106 174.700 -0.078 0.000 0.992 697 T CA -0.482 61.562 62.100 -0.093 0.000 1.015 697 T CB 1.919 70.734 68.868 -0.088 0.000 1.044 697 T HN 0.038 nan 8.240 nan 0.000 0.520 698 I N 0.536 121.089 120.570 -0.028 0.000 2.208 698 I HA -0.188 3.972 4.170 -0.016 0.000 0.245 698 I C 2.746 178.811 176.117 -0.087 0.000 1.097 698 I CA 1.599 62.889 61.300 -0.016 0.000 1.363 698 I CB -0.409 37.641 38.000 0.083 0.000 1.051 698 I HN 0.804 nan 8.210 nan 0.000 0.413 699 E N 0.608 120.756 120.200 -0.088 0.000 2.072 699 E HA -0.217 4.123 4.350 -0.016 0.000 0.191 699 E C 1.728 178.261 176.600 -0.112 0.000 0.985 699 E CA 1.184 57.521 56.400 -0.106 0.000 0.801 699 E CB -0.100 29.551 29.700 -0.082 0.000 0.750 699 E HN 0.439 nan 8.360 nan 0.000 0.452 700 D N 0.793 121.129 120.400 -0.107 0.000 2.126 700 D HA -0.217 4.413 4.640 -0.016 0.000 0.190 700 D C 1.896 178.096 176.300 -0.166 0.000 1.001 700 D CA 1.690 55.620 54.000 -0.117 0.000 0.841 700 D CB -0.354 40.380 40.800 -0.110 0.000 0.949 700 D HN 0.196 nan 8.370 nan 0.000 0.446 701 A N 0.327 123.025 122.820 -0.203 0.000 1.898 701 A HA -0.116 4.194 4.320 -0.016 0.000 0.216 701 A C 2.450 179.760 177.584 -0.456 0.000 1.181 701 A CA 0.962 52.799 52.037 -0.333 0.000 0.620 701 A CB -0.689 18.131 19.000 -0.301 0.000 0.819 701 A HN 0.210 nan 8.150 nan 0.000 0.442 702 I N -0.424 119.984 120.570 -0.271 0.000 2.179 702 I HA -0.270 3.890 4.170 -0.016 0.000 0.242 702 I C 2.554 178.604 176.117 -0.112 0.000 1.088 702 I CA 1.823 63.047 61.300 -0.127 0.000 1.357 702 I CB -0.264 37.654 38.000 -0.138 0.000 1.051 702 I HN 0.347 nan 8.210 nan 0.000 0.409 703 K N 0.918 121.246 120.400 -0.119 0.000 2.113 703 K HA -0.202 4.108 4.320 -0.016 0.000 0.208 703 K C 1.434 177.975 176.600 -0.097 0.000 1.047 703 K CA 1.558 57.794 56.287 -0.085 0.000 0.928 703 K CB -0.088 32.365 32.500 -0.078 0.000 0.716 703 K HN 0.380 nan 8.250 nan 0.000 0.446 704 N N 1.046 119.652 118.700 -0.158 0.000 2.280 704 N HA -0.078 4.653 4.740 -0.016 0.000 0.192 704 N C -0.248 175.143 175.510 -0.199 0.000 1.109 704 N CA 0.220 53.175 53.050 -0.158 0.000 0.855 704 N CB 0.087 38.474 38.487 -0.168 0.000 0.974 704 N HN 0.254 nan 8.380 nan 0.000 0.482 705 N N 0.709 119.257 118.700 -0.254 0.000 2.727 705 N HA -0.198 4.532 4.740 -0.016 0.000 0.249 705 N C -1.072 174.130 175.510 -0.514 0.000 1.048 705 N CA 0.375 53.265 53.050 -0.268 0.000 0.714 705 N CB -1.299 37.184 38.487 -0.007 0.000 0.959 705 N HN -0.018 nan 8.380 nan 0.000 0.544 706 S N 1.047 116.243 115.700 -0.840 0.000 2.543 706 S HA 0.593 5.054 4.470 -0.016 0.000 0.299 706 S C -0.787 173.319 174.600 -0.824 0.000 1.125 706 S CA -0.527 57.291 58.200 -0.636 0.000 1.098 706 S CB -0.315 62.612 63.200 -0.455 0.000 1.063 706 S HN 0.307 nan 8.310 nan 0.000 0.493 707 F N 2.496 122.334 119.950 -0.187 0.000 2.588 707 F HA 0.456 4.973 4.527 -0.016 0.000 0.314 707 F C -0.618 175.036 175.800 -0.243 0.000 1.069 707 F CA -1.271 56.614 58.000 -0.192 0.000 0.931 707 F CB 1.363 40.331 39.000 -0.053 0.000 1.260 707 F HN 0.317 nan 8.300 nan 0.000 0.465 708 Y N 1.388 121.802 120.300 0.190 0.000 2.383 708 Y HA 0.491 5.031 4.550 -0.016 0.000 0.344 708 Y C 0.843 176.777 175.900 0.057 0.000 0.986 708 Y CA 0.027 58.174 58.100 0.078 0.000 1.175 708 Y CB 0.813 39.287 38.460 0.024 0.000 1.152 708 Y HN 0.897 nan 8.280 nan 0.000 0.511 709 G N 2.068 110.976 108.800 0.180 0.000 2.698 709 G HA2 -0.165 3.785 3.960 -0.016 0.000 0.233 709 G HA3 -0.165 3.785 3.960 -0.016 0.000 0.233 709 G C -0.411 174.518 174.900 0.048 0.000 1.352 709 G CA -0.432 44.719 45.100 0.085 0.000 0.879 709 G HN 0.878 nan 8.290 nan 0.000 0.567 710 S N -1.038 114.663 115.700 0.002 0.000 2.747 710 S HA 0.688 5.148 4.470 -0.016 0.000 0.300 710 S C 0.116 174.658 174.600 -0.097 0.000 1.121 710 S CA 0.169 58.342 58.200 -0.044 0.000 0.995 710 S CB 1.971 65.153 63.200 -0.030 0.000 1.113 710 S HN 1.073 nan 8.310 nan 0.000 0.547 711 E N 0.113 120.232 120.200 -0.135 0.000 2.415 711 E HA 0.140 4.480 4.350 -0.016 0.000 0.263 711 E C -0.989 175.521 176.600 -0.150 0.000 0.995 711 E CA -0.171 56.126 56.400 -0.173 0.000 0.915 711 E CB 0.286 29.889 29.700 -0.161 0.000 0.951 711 E HN 0.476 nan 8.360 nan 0.000 0.449 712 L N 4.542 125.645 121.223 -0.199 0.000 2.375 712 L HA 0.407 4.737 4.340 -0.016 0.000 0.271 712 L C 0.152 176.954 176.870 -0.114 0.000 1.107 712 L CA -0.135 54.561 54.840 -0.239 0.000 0.806 712 L CB 1.045 42.872 42.059 -0.387 0.000 1.146 712 L HN 0.548 nan 8.230 nan 0.000 0.447 713 K N 3.517 123.911 120.400 -0.010 0.000 2.543 713 K HA 0.591 4.902 4.320 -0.016 0.000 0.255 713 K C -1.792 174.968 176.600 0.266 0.000 0.934 713 K CA -0.551 55.800 56.287 0.106 0.000 0.810 713 K CB 1.987 34.532 32.500 0.075 0.000 1.315 713 K HN 0.473 nan 8.250 nan 0.000 0.433 714 I N 2.420 123.133 120.570 0.238 0.000 2.498 714 I HA 0.377 4.538 4.170 -0.016 0.000 0.290 714 I C -0.948 175.303 176.117 0.224 0.000 1.032 714 I CA -0.673 60.785 61.300 0.263 0.000 1.073 714 I CB 2.211 40.373 38.000 0.270 0.000 1.251 714 I HN 0.655 nan 8.210 nan 0.000 0.426 715 E N 6.207 126.524 120.200 0.194 0.000 2.308 715 E HA 0.523 4.864 4.350 -0.016 0.000 0.275 715 E C -1.569 175.110 176.600 0.131 0.000 0.890 715 E CA -0.828 55.660 56.400 0.147 0.000 0.754 715 E CB 2.558 32.325 29.700 0.112 0.000 1.207 715 E HN 0.529 nan 8.360 nan 0.000 0.426 716 K N 2.960 123.425 120.400 0.109 0.000 2.498 716 K HA 0.638 4.949 4.320 -0.016 0.000 0.254 716 K C -0.249 176.375 176.600 0.041 0.000 0.933 716 K CA 0.149 56.484 56.287 0.081 0.000 0.806 716 K CB 1.661 34.224 32.500 0.104 0.000 1.301 716 K HN 0.762 nan 8.250 nan 0.000 0.432 717 G N 2.195 111.009 108.800 0.023 0.000 2.593 717 G HA2 -0.212 3.739 3.960 -0.016 0.000 0.237 717 G HA3 -0.212 3.739 3.960 -0.016 0.000 0.237 717 G C -1.332 173.567 174.900 -0.001 0.000 1.312 717 G CA 0.112 45.211 45.100 -0.001 0.000 0.896 717 G HN 0.692 nan 8.290 nan 0.000 0.574 718 D N 0.036 120.424 120.400 -0.019 0.000 2.421 718 D HA 0.516 5.146 4.640 -0.016 0.000 0.254 718 D C 1.537 177.823 176.300 -0.022 0.000 1.238 718 D CA -0.527 53.468 54.000 -0.008 0.000 0.919 718 D CB 0.872 41.667 40.800 -0.008 0.000 1.152 718 D HN 0.349 nan 8.370 nan 0.000 0.552 719 L N 2.782 124.010 121.223 0.009 0.000 2.027 719 L HA -0.107 4.223 4.340 -0.016 0.000 0.206 719 L C 2.308 179.249 176.870 0.119 0.000 1.074 719 L CA 0.723 55.578 54.840 0.026 0.000 0.745 719 L CB -0.087 42.052 42.059 0.133 0.000 0.898 719 L HN 0.274 nan 8.230 nan 0.000 0.433 720 K N 0.317 120.792 120.400 0.125 0.000 2.063 720 K HA -0.246 4.064 4.320 -0.016 0.000 0.208 720 K C 2.001 178.651 176.600 0.083 0.000 1.048 720 K CA 1.403 57.766 56.287 0.127 0.000 0.928 720 K CB -0.334 32.209 32.500 0.072 0.000 0.713 720 K HN 0.268 nan 8.250 nan 0.000 0.442 721 K N 0.229 120.646 120.400 0.028 0.000 2.002 721 K HA -0.129 4.181 4.320 -0.016 0.000 0.209 721 K C 2.191 178.770 176.600 -0.035 0.000 1.048 721 K CA 1.727 58.012 56.287 -0.003 0.000 0.930 721 K CB -0.453 32.037 32.500 -0.017 0.000 0.714 721 K HN 0.196 nan 8.250 nan 0.000 0.438 722 G N 0.418 109.159 108.800 -0.099 0.000 2.476 722 G HA2 -0.256 3.695 3.960 -0.016 0.000 0.218 722 G HA3 -0.256 3.695 3.960 -0.016 0.000 0.218 722 G C 1.345 176.105 174.900 -0.234 0.000 1.164 722 G CA 0.913 45.884 45.100 -0.214 0.000 0.768 722 G HN 0.328 nan 8.290 nan 0.000 0.560 723 F N 1.304 121.224 119.950 -0.049 0.000 2.293 723 F HA -0.015 4.502 4.527 -0.017 0.000 0.300 723 F C 3.022 178.785 175.800 -0.061 0.000 1.086 723 F CA 0.992 58.957 58.000 -0.059 0.000 1.375 723 F CB 0.171 39.139 39.000 -0.053 0.000 1.045 723 F HN 0.078 nan 8.300 nan 0.000 0.516 724 S N -0.217 115.546 115.700 0.105 0.000 2.402 724 S HA -0.165 4.295 4.470 -0.016 0.000 0.229 724 S C 1.624 176.226 174.600 0.003 0.000 1.021 724 S CA 1.200 59.425 58.200 0.042 0.000 0.974 724 S CB -0.297 62.918 63.200 0.026 0.000 0.800 724 S HN 0.471 nan 8.310 nan 0.000 0.484 725 E N 1.285 121.472 120.200 -0.020 0.000 2.435 725 E HA 0.244 4.584 4.350 -0.016 0.000 0.195 725 E C 0.634 177.203 176.600 -0.052 0.000 1.029 725 E CA 0.052 56.429 56.400 -0.039 0.000 0.865 725 E CB 0.023 29.692 29.700 -0.052 0.000 0.833 725 E HN 0.413 nan 8.360 nan 0.000 0.510 726 A N 1.595 124.382 122.820 -0.055 0.000 2.462 726 A HA -0.024 4.287 4.320 -0.016 0.000 0.243 726 A C 0.465 177.982 177.584 -0.112 0.000 1.076 726 A CA -0.193 51.790 52.037 -0.090 0.000 0.773 726 A CB 0.358 19.317 19.000 -0.067 0.000 1.010 726 A HN -0.034 nan 8.150 nan 0.000 0.493 727 D N 0.541 120.844 120.400 -0.162 0.000 2.183 727 D HA 0.001 4.631 4.640 -0.016 0.000 0.205 727 D C 0.021 176.168 176.300 -0.254 0.000 0.962 727 D CA 1.231 55.132 54.000 -0.164 0.000 0.849 727 D CB 0.118 40.841 40.800 -0.129 0.000 0.978 727 D HN 0.594 nan 8.370 nan 0.000 0.488 728 N N -0.184 118.211 118.700 -0.507 0.000 2.265 728 N HA 0.402 5.132 4.740 -0.016 0.000 0.300 728 N C -1.025 174.062 175.510 -0.704 0.000 1.148 728 N CA -0.437 52.202 53.050 -0.685 0.000 0.772 728 N CB 3.243 41.052 38.487 -1.131 0.000 1.434 728 N HN -0.263 nan 8.380 nan 0.000 0.481 729 V N 1.059 120.777 119.914 -0.326 0.000 2.709 729 V HA 0.493 4.603 4.120 -0.016 0.000 0.308 729 V C -0.518 175.620 176.094 0.072 0.000 1.062 729 V CA -0.736 61.523 62.300 -0.067 0.000 0.901 729 V CB 2.313 34.116 31.823 -0.033 0.000 1.003 729 V HN 0.350 nan 8.190 nan 0.000 0.425 730 V N 3.677 123.740 119.914 0.248 0.000 2.531 730 V HA 0.763 4.873 4.120 -0.016 0.000 0.301 730 V C -0.138 176.029 176.094 0.122 0.000 1.034 730 V CA -0.279 62.166 62.300 0.241 0.000 0.865 730 V CB 2.284 34.351 31.823 0.407 0.000 0.995 730 V HN 1.046 nan 8.190 nan 0.000 0.424 731 S N 3.027 118.709 115.700 -0.030 0.000 2.599 731 S HA 1.028 5.489 4.470 -0.016 0.000 0.294 731 S C -0.293 174.061 174.600 -0.409 0.000 1.094 731 S CA -0.139 57.911 58.200 -0.251 0.000 0.931 731 S CB 2.447 65.524 63.200 -0.205 0.000 1.093 731 S HN 1.443 nan 8.310 nan 0.000 0.488 732 G N -0.080 108.200 108.800 -0.867 0.000 2.488 732 G HA2 0.543 4.493 3.960 -0.016 0.000 0.301 732 G HA3 0.543 4.493 3.960 -0.016 0.000 0.301 732 G C -2.174 172.393 174.900 -0.555 0.000 1.339 732 G CA -0.699 43.992 45.100 -0.682 0.000 0.803 732 G HN 0.886 nan 8.290 nan 0.000 0.482 733 E N -1.134 119.054 120.200 -0.021 0.000 2.340 733 E HA 0.687 5.028 4.350 -0.016 0.000 0.273 733 E C -1.990 174.829 176.600 0.366 0.000 0.891 733 E CA -0.753 55.760 56.400 0.189 0.000 0.757 733 E CB 2.641 32.416 29.700 0.125 0.000 1.231 733 E HN 0.533 nan 8.360 nan 0.000 0.439 734 L N 3.784 125.257 121.223 0.416 0.000 2.472 734 L HA 0.539 4.869 4.340 -0.016 0.000 0.260 734 L C -2.176 174.964 176.870 0.450 0.000 0.963 734 L CA -0.573 54.519 54.840 0.419 0.000 0.829 734 L CB 1.860 44.150 42.059 0.385 0.000 1.348 734 L HN 0.653 nan 8.230 nan 0.000 0.408 735 Y N 4.630 125.112 120.300 0.303 0.000 2.462 735 Y HA 0.737 5.277 4.550 -0.017 0.000 0.346 735 Y C -1.403 174.648 175.900 0.251 0.000 0.976 735 Y CA -0.869 57.392 58.100 0.269 0.000 1.044 735 Y CB 1.765 40.347 38.460 0.204 0.000 1.230 735 Y HN 0.653 nan 8.280 nan 0.000 0.455 736 I N 5.630 125.932 120.570 -0.447 0.000 2.447 736 I HA 0.647 4.808 4.170 -0.016 0.000 0.287 736 I C 0.064 175.761 176.117 -0.700 0.000 1.023 736 I CA -0.511 60.531 61.300 -0.430 0.000 1.083 736 I CB 0.994 38.824 38.000 -0.284 0.000 1.245 736 I HN 0.851 nan 8.210 nan 0.000 0.434 737 G N 4.429 113.005 108.800 -0.373 0.000 2.636 737 G HA2 0.440 4.390 3.960 -0.016 0.000 0.246 737 G HA3 0.440 4.390 3.960 -0.016 0.000 0.246 737 G C 0.339 175.168 174.900 -0.118 0.000 1.216 737 G CA 0.056 45.091 45.100 -0.108 0.000 0.854 737 G HN 0.843 nan 8.290 nan 0.000 0.572 738 G N -1.491 107.320 108.800 0.018 0.000 2.504 738 G HA2 0.518 4.468 3.960 -0.016 0.000 0.257 738 G HA3 0.518 4.468 3.960 -0.016 0.000 0.257 738 G C -0.309 174.566 174.900 -0.042 0.000 1.451 738 G CA -0.262 44.838 45.100 -0.000 0.000 1.059 738 G HN 0.729 nan 8.290 nan 0.000 0.550 739 Q N -1.271 118.508 119.800 -0.034 0.000 2.468 739 Q HA 0.232 4.563 4.340 -0.016 0.000 0.263 739 Q C -2.234 173.827 176.000 0.103 0.000 0.979 739 Q CA -0.605 55.178 55.803 -0.034 0.000 0.932 739 Q CB 2.303 30.761 28.738 -0.467 0.000 1.462 739 Q HN 0.609 nan 8.270 nan 0.000 0.403 740 D N 0.110 120.576 120.400 0.110 0.000 2.210 740 D HA 0.217 4.847 4.640 -0.016 0.000 0.249 740 D C 0.535 176.927 176.300 0.154 0.000 1.078 740 D CA 0.001 53.992 54.000 -0.016 0.000 0.875 740 D CB 0.914 41.485 40.800 -0.383 0.000 1.175 740 D HN 0.578 nan 8.370 nan 0.000 0.440 741 H N 2.954 121.985 119.070 -0.065 0.000 2.387 741 H HA -0.025 4.521 4.556 -0.016 0.000 0.299 741 H C 0.537 175.670 175.328 -0.324 0.000 1.090 741 H CA 1.018 56.760 56.048 -0.510 0.000 1.332 741 H CB -0.200 29.104 29.762 -0.764 0.000 1.386 741 H HN 0.530 nan 8.280 nan 0.000 0.516 742 F N 0.598 120.294 119.950 -0.424 0.000 3.079 742 F HA -0.293 4.225 4.527 -0.015 0.000 0.274 742 F C -0.617 175.100 175.800 -0.137 0.000 0.940 742 F CA -0.492 57.361 58.000 -0.246 0.000 0.932 742 F CB -1.711 37.283 39.000 -0.009 0.000 0.891 742 F HN 0.164 nan 8.300 nan 0.000 0.722 743 Y N -0.624 119.846 120.300 0.284 0.000 2.810 743 Y HA 0.040 4.581 4.550 -0.016 0.000 0.332 743 Y C 1.133 177.100 175.900 0.112 0.000 1.243 743 Y CA -0.929 57.359 58.100 0.315 0.000 1.537 743 Y CB -0.039 38.504 38.460 0.138 0.000 1.265 743 Y HN 0.099 nan 8.280 nan 0.000 0.572 744 L N 1.372 122.788 121.223 0.321 0.000 2.083 744 L HA -0.109 4.221 4.340 -0.016 0.000 0.209 744 L C 1.178 178.088 176.870 0.067 0.000 1.083 744 L CA 1.464 56.407 54.840 0.171 0.000 0.752 744 L CB -0.601 41.543 42.059 0.142 0.000 0.899 744 L HN 0.864 nan 8.230 nan 0.000 0.433 745 E N 0.723 120.944 120.200 0.035 0.000 2.194 745 E HA 0.142 4.482 4.350 -0.016 0.000 0.284 745 E C -0.056 176.516 176.600 -0.046 0.000 1.035 745 E CA -0.279 56.087 56.400 -0.056 0.000 0.836 745 E CB 0.985 30.596 29.700 -0.148 0.000 1.070 745 E HN 0.241 nan 8.360 nan 0.000 0.401 746 T N 1.540 116.082 114.554 -0.021 0.000 2.729 746 T HA 0.144 4.485 4.350 -0.016 0.000 0.298 746 T C 0.607 175.180 174.700 -0.211 0.000 1.013 746 T CA -0.631 61.459 62.100 -0.018 0.000 0.957 746 T CB 0.355 69.277 68.868 0.091 0.000 1.130 746 T HN 0.444 nan 8.240 nan 0.000 0.526 747 H N -0.996 117.980 119.070 -0.156 0.000 2.897 747 H HA 0.315 4.861 4.556 -0.016 0.000 0.347 747 H C -0.171 175.129 175.328 -0.046 0.000 1.068 747 H CA 0.143 56.107 56.048 -0.140 0.000 1.426 747 H CB 0.443 30.157 29.762 -0.080 0.000 1.410 747 H HN 0.664 nan 8.280 nan 0.000 0.597 748 C N 3.168 122.509 119.300 0.069 0.000 2.931 748 C HA 0.366 4.816 4.460 -0.016 0.000 0.370 748 C C -0.621 174.416 174.990 0.078 0.000 1.071 748 C CA -0.224 58.838 59.018 0.073 0.000 1.266 748 C CB 1.075 28.847 27.740 0.052 0.000 1.691 748 C HN 0.883 nan 8.230 nan 0.000 0.511 749 T N 5.933 120.542 114.554 0.091 0.000 2.912 749 T HA 0.604 4.944 4.350 -0.016 0.000 0.299 749 T C -0.983 173.781 174.700 0.106 0.000 1.052 749 T CA -0.231 61.926 62.100 0.094 0.000 0.996 749 T CB 1.233 70.144 68.868 0.073 0.000 1.070 749 T HN 0.563 nan 8.240 nan 0.000 0.465 750 I N 2.345 123.004 120.570 0.149 0.000 2.378 750 I HA 0.683 4.843 4.170 -0.016 0.000 0.291 750 I C -0.019 176.203 176.117 0.175 0.000 0.992 750 I CA -0.888 60.514 61.300 0.169 0.000 1.154 750 I CB 1.576 39.723 38.000 0.244 0.000 1.315 750 I HN 0.683 nan 8.210 nan 0.000 0.448 751 A N 7.728 130.618 122.820 0.116 0.000 2.318 751 A HA 0.822 5.133 4.320 -0.016 0.000 0.317 751 A C -0.722 176.913 177.584 0.085 0.000 1.159 751 A CA -0.413 51.673 52.037 0.081 0.000 0.799 751 A CB 0.594 19.625 19.000 0.051 0.000 1.194 751 A HN 0.672 nan 8.150 nan 0.000 0.479 752 I N 4.767 125.382 120.570 0.076 0.000 2.390 752 I HA 0.329 4.490 4.170 -0.016 0.000 0.283 752 I C -2.276 173.836 176.117 -0.010 0.000 1.016 752 I CA -2.038 59.287 61.300 0.041 0.000 1.151 752 I CB 2.198 40.261 38.000 0.105 0.000 1.293 752 I HN 0.407 nan 8.210 nan 0.000 0.458 753 P HA 0.189 nan 4.420 nan 0.000 0.281 753 P C -0.276 176.989 177.300 -0.059 0.000 1.252 753 P CA -0.517 62.569 63.100 -0.023 0.000 0.778 753 P CB 1.425 33.116 31.700 -0.014 0.000 0.895 754 K N 2.161 122.536 120.400 -0.042 0.000 2.314 754 K HA 0.116 4.426 4.320 -0.016 0.000 0.198 754 K C 1.557 178.125 176.600 -0.054 0.000 1.045 754 K CA 0.916 57.171 56.287 -0.054 0.000 0.988 754 K CB -0.782 31.697 32.500 -0.034 0.000 0.783 754 K HN 0.824 nan 8.250 nan 0.000 0.484 755 G N 1.460 110.235 108.800 -0.041 0.000 2.176 755 G HA2 -0.267 3.684 3.960 -0.016 0.000 0.253 755 G HA3 -0.267 3.684 3.960 -0.016 0.000 0.253 755 G C -0.176 174.708 174.900 -0.026 0.000 0.979 755 G CA 0.137 45.212 45.100 -0.042 0.000 0.641 755 G HN 0.363 nan 8.290 nan 0.000 0.530 756 E N 0.440 120.630 120.200 -0.017 0.000 2.155 756 E HA 0.463 4.803 4.350 -0.016 0.000 0.264 756 E C 0.389 176.990 176.600 0.001 0.000 0.886 756 E CA -0.694 55.700 56.400 -0.010 0.000 0.752 756 E CB 0.725 30.418 29.700 -0.012 0.000 1.133 756 E HN 0.199 nan 8.360 nan 0.000 0.414 757 E N 1.653 121.858 120.200 0.007 0.000 2.971 757 E HA -0.268 4.072 4.350 -0.016 0.000 0.278 757 E C 0.638 177.251 176.600 0.022 0.000 1.009 757 E CA 1.102 57.509 56.400 0.012 0.000 0.862 757 E CB -1.395 28.308 29.700 0.004 0.000 1.436 757 E HN 1.115 nan 8.360 nan 0.000 0.434 758 G N 0.225 109.048 108.800 0.037 0.000 2.162 758 G HA2 -0.358 3.592 3.960 -0.016 0.000 0.260 758 G HA3 -0.358 3.592 3.960 -0.016 0.000 0.260 758 G C 0.081 175.002 174.900 0.036 0.000 0.976 758 G CA 0.646 45.781 45.100 0.058 0.000 0.655 758 G HN 0.372 nan 8.290 nan 0.000 0.533 759 E N -0.300 119.910 120.200 0.016 0.000 2.414 759 E HA 0.434 4.775 4.350 -0.016 0.000 0.263 759 E C 0.350 176.950 176.600 0.000 0.000 1.000 759 E CA 0.496 56.897 56.400 0.001 0.000 0.914 759 E CB 0.643 30.338 29.700 -0.008 0.000 0.948 759 E HN 0.456 nan 8.360 nan 0.000 0.444 760 M N 2.551 122.144 119.600 -0.011 0.000 2.371 760 M HA 0.216 4.687 4.480 -0.016 0.000 0.287 760 M C -1.604 174.664 176.300 -0.053 0.000 1.149 760 M CA -0.442 54.848 55.300 -0.017 0.000 0.929 760 M CB 2.192 34.794 32.600 0.003 0.000 1.683 760 M HN 0.413 nan 8.290 nan 0.000 0.470 761 E N 3.850 124.005 120.200 -0.074 0.000 2.176 761 E HA 0.617 4.958 4.350 -0.016 0.000 0.267 761 E C -2.051 174.406 176.600 -0.238 0.000 0.893 761 E CA -0.614 55.681 56.400 -0.175 0.000 0.761 761 E CB 1.489 31.090 29.700 -0.165 0.000 1.133 761 E HN 0.581 nan 8.360 nan 0.000 0.409 762 L N 4.463 125.487 121.223 -0.331 0.000 2.365 762 L HA 0.496 4.826 4.340 -0.016 0.000 0.273 762 L C -1.090 175.526 176.870 -0.424 0.000 1.000 762 L CA -0.415 54.281 54.840 -0.241 0.000 0.819 762 L CB 1.278 43.277 42.059 -0.100 0.000 1.284 762 L HN 0.526 nan 8.230 nan 0.000 0.418 763 F N 2.594 122.555 119.950 0.018 0.000 2.388 763 F HA 0.699 5.217 4.527 -0.016 0.000 0.358 763 F C -0.168 175.636 175.800 0.007 0.000 1.122 763 F CA -0.857 57.150 58.000 0.010 0.000 1.056 763 F CB 1.592 40.601 39.000 0.016 0.000 1.155 763 F HN 0.020 nan 8.300 nan 0.000 0.461 764 V N 1.581 121.570 119.914 0.125 0.000 2.760 764 V HA 0.306 4.416 4.120 -0.016 0.000 0.309 764 V C -0.231 175.883 176.094 0.033 0.000 1.077 764 V CA -1.031 61.306 62.300 0.063 0.000 0.910 764 V CB 2.057 33.889 31.823 0.015 0.000 1.008 764 V HN 0.672 nan 8.190 nan 0.000 0.424 765 S N 2.841 118.545 115.700 0.008 0.000 3.530 765 S HA 0.393 4.853 4.470 -0.016 0.000 0.279 765 S C -0.040 174.499 174.600 -0.102 0.000 1.280 765 S CA 0.078 58.244 58.200 -0.056 0.000 0.946 765 S CB -0.479 62.659 63.200 -0.104 0.000 1.501 765 S HN 0.960 nan 8.310 nan 0.000 0.498 766 T N 2.920 117.427 114.554 -0.079 0.000 2.900 766 T HA 0.360 4.701 4.350 -0.016 0.000 0.303 766 T C 0.353 175.004 174.700 -0.081 0.000 1.142 766 T CA -0.545 61.507 62.100 -0.080 0.000 1.007 766 T CB 1.689 70.528 68.868 -0.047 0.000 1.156 766 T HN 0.510 nan 8.240 nan 0.000 0.490 767 Q N 1.648 121.403 119.800 -0.075 0.000 2.360 767 Q HA 0.235 4.565 4.340 -0.016 0.000 0.202 767 Q C 0.098 176.080 176.000 -0.029 0.000 0.915 767 Q CA 0.070 55.842 55.803 -0.052 0.000 0.943 767 Q CB 0.312 29.029 28.738 -0.034 0.000 1.064 767 Q HN 0.334 nan 8.270 nan 0.000 0.511 768 N N -0.194 118.478 118.700 -0.047 0.000 2.752 768 N HA 0.255 4.985 4.740 -0.016 0.000 0.260 768 N C -0.230 175.225 175.510 -0.091 0.000 1.562 768 N CA -0.031 52.981 53.050 -0.062 0.000 0.788 768 N CB 0.877 39.319 38.487 -0.076 0.000 1.192 768 N HN 0.083 nan 8.380 nan 0.000 0.503 769 A N 2.506 125.281 122.820 -0.074 0.000 1.940 769 A HA -0.167 4.143 4.320 -0.016 0.000 0.219 769 A C 2.124 179.652 177.584 -0.093 0.000 1.176 769 A CA 1.199 53.188 52.037 -0.080 0.000 0.631 769 A CB -0.319 18.639 19.000 -0.070 0.000 0.814 769 A HN 0.667 nan 8.150 nan 0.000 0.446 770 M N -1.017 118.530 119.600 -0.088 0.000 2.067 770 M HA -0.168 4.303 4.480 -0.016 0.000 0.260 770 M C 1.832 178.035 176.300 -0.161 0.000 1.069 770 M CA 1.899 57.143 55.300 -0.093 0.000 1.117 770 M CB -0.162 32.400 32.600 -0.063 0.000 1.334 770 M HN 0.141 nan 8.290 nan 0.000 0.407 771 K N -0.140 120.105 120.400 -0.257 0.000 2.097 771 K HA -0.046 4.264 4.320 -0.016 0.000 0.205 771 K C 1.902 178.170 176.600 -0.553 0.000 1.050 771 K CA 1.807 57.771 56.287 -0.539 0.000 0.938 771 K CB -0.878 31.186 32.500 -0.727 0.000 0.718 771 K HN 0.449 nan 8.250 nan 0.000 0.442 772 T N 1.780 116.152 114.554 -0.302 0.000 2.652 772 T HA -0.220 4.120 4.350 -0.016 0.000 0.267 772 T C 1.930 176.583 174.700 -0.077 0.000 1.039 772 T CA 1.611 63.619 62.100 -0.154 0.000 1.153 772 T CB -0.150 68.662 68.868 -0.093 0.000 0.863 772 T HN 0.358 nan 8.240 nan 0.000 0.428 773 Q N 0.537 120.286 119.800 -0.084 0.000 2.030 773 Q HA -0.147 4.184 4.340 -0.016 0.000 0.204 773 Q C 2.545 178.538 176.000 -0.011 0.000 0.986 773 Q CA 1.815 57.589 55.803 -0.047 0.000 0.843 773 Q CB -0.229 28.476 28.738 -0.055 0.000 0.904 773 Q HN 0.420 nan 8.270 nan 0.000 0.420 774 S N 0.158 115.849 115.700 -0.015 0.000 2.359 774 S HA -0.125 4.335 4.470 -0.016 0.000 0.224 774 S C 1.585 176.313 174.600 0.213 0.000 1.035 774 S CA 1.197 59.437 58.200 0.067 0.000 1.018 774 S CB -0.340 62.895 63.200 0.058 0.000 0.876 774 S HN 0.357 nan 8.310 nan 0.000 0.448 775 F N 1.259 121.178 119.950 -0.053 0.000 2.186 775 F HA -0.004 4.513 4.527 -0.016 0.000 0.299 775 F C 2.403 178.162 175.800 -0.069 0.000 1.090 775 F CA -0.195 57.769 58.000 -0.060 0.000 1.307 775 F CB -1.316 37.650 39.000 -0.057 0.000 1.019 775 F HN 0.011 nan 8.300 nan 0.000 0.489 776 V N 0.019 120.013 119.914 0.133 0.000 2.295 776 V HA -0.279 3.831 4.120 -0.016 0.000 0.246 776 V C 2.655 178.750 176.094 0.001 0.000 1.049 776 V CA 1.677 63.999 62.300 0.036 0.000 1.024 776 V CB -1.370 30.463 31.823 0.015 0.000 0.648 776 V HN 0.310 nan 8.190 nan 0.000 0.447 777 A N -0.330 122.498 122.820 0.013 0.000 1.883 777 A HA -0.302 4.008 4.320 -0.016 0.000 0.217 777 A C 2.356 179.924 177.584 -0.026 0.000 1.186 777 A CA 2.368 54.400 52.037 -0.009 0.000 0.624 777 A CB -0.525 18.476 19.000 0.000 0.000 0.822 777 A HN 0.518 nan 8.150 nan 0.000 0.444 778 K N -1.138 119.255 120.400 -0.011 0.000 2.057 778 K HA -0.132 4.178 4.320 -0.016 0.000 0.207 778 K C 2.165 178.716 176.600 -0.082 0.000 1.049 778 K CA 1.529 57.789 56.287 -0.044 0.000 0.931 778 K CB -0.223 32.246 32.500 -0.052 0.000 0.714 778 K HN 0.480 nan 8.250 nan 0.000 0.440 779 M N 1.097 120.641 119.600 -0.092 0.000 2.132 779 M HA -0.139 4.331 4.480 -0.016 0.000 0.263 779 M C 1.732 177.939 176.300 -0.154 0.000 1.065 779 M CA 1.569 56.794 55.300 -0.125 0.000 1.122 779 M CB -0.374 32.147 32.600 -0.132 0.000 1.365 779 M HN 0.206 nan 8.290 nan 0.000 0.411 780 L N 0.090 121.217 121.223 -0.160 0.000 2.291 780 L HA 0.014 4.344 4.340 -0.016 0.000 0.214 780 L C 1.323 178.074 176.870 -0.197 0.000 1.120 780 L CA 0.674 55.367 54.840 -0.245 0.000 0.799 780 L CB -0.919 41.028 42.059 -0.187 0.000 0.925 780 L HN 0.661 nan 8.230 nan 0.000 0.446 781 G N 0.674 109.402 108.800 -0.121 0.000 2.256 781 G HA2 -0.215 3.736 3.960 -0.016 0.000 0.272 781 G HA3 -0.215 3.736 3.960 -0.016 0.000 0.272 781 G C -0.215 174.649 174.900 -0.060 0.000 1.076 781 G CA 0.205 45.255 45.100 -0.083 0.000 0.882 781 G HN 0.139 nan 8.290 nan 0.000 0.497 782 V N -0.417 119.467 119.914 -0.050 0.000 2.914 782 V HA 0.637 4.748 4.120 -0.016 0.000 0.314 782 V C -1.857 174.223 176.094 -0.022 0.000 1.084 782 V CA -1.879 60.403 62.300 -0.029 0.000 0.963 782 V CB 2.237 34.048 31.823 -0.021 0.000 1.025 782 V HN 0.127 nan 8.190 nan 0.000 0.432 783 P HA 0.091 nan 4.420 nan 0.000 0.268 783 P C 0.878 178.169 177.300 -0.014 0.000 1.208 783 P CA 0.039 63.130 63.100 -0.015 0.000 0.777 783 P CB 0.566 32.259 31.700 -0.012 0.000 0.875 784 V N 1.674 121.579 119.914 -0.014 0.000 2.490 784 V HA -0.237 3.873 4.120 -0.016 0.000 0.250 784 V C 1.938 178.022 176.094 -0.017 0.000 1.061 784 V CA 2.230 64.522 62.300 -0.014 0.000 1.064 784 V CB -1.342 30.473 31.823 -0.014 0.000 0.670 784 V HN 0.688 nan 8.190 nan 0.000 0.461 785 N N 0.745 119.436 118.700 -0.015 0.000 2.520 785 N HA -0.183 4.547 4.740 -0.016 0.000 0.185 785 N C 1.552 177.053 175.510 -0.015 0.000 1.068 785 N CA 0.940 53.981 53.050 -0.015 0.000 0.911 785 N CB -0.423 38.056 38.487 -0.013 0.000 0.961 785 N HN 0.314 nan 8.380 nan 0.000 0.446 786 R N -0.133 120.359 120.500 -0.014 0.000 2.275 786 R HA 0.205 4.536 4.340 -0.016 0.000 0.199 786 R C -0.035 176.253 176.300 -0.019 0.000 0.989 786 R CA 0.070 56.162 56.100 -0.013 0.000 1.016 786 R CB 0.141 30.437 30.300 -0.006 0.000 0.918 786 R HN 0.281 nan 8.270 nan 0.000 0.473 787 I N 1.781 122.336 120.570 -0.025 0.000 2.378 787 I HA 0.266 4.426 4.170 -0.016 0.000 0.291 787 I C -0.407 175.679 176.117 -0.052 0.000 0.992 787 I CA -1.621 59.657 61.300 -0.036 0.000 1.154 787 I CB 1.477 39.459 38.000 -0.030 0.000 1.315 787 I HN -0.162 nan 8.210 nan 0.000 0.448 788 L N 8.276 129.453 121.223 -0.077 0.000 2.333 788 L HA 0.655 4.985 4.340 -0.016 0.000 0.280 788 L C -1.000 175.781 176.870 -0.148 0.000 1.004 788 L CA -0.374 54.406 54.840 -0.100 0.000 0.820 788 L CB 1.777 43.772 42.059 -0.106 0.000 1.247 788 L HN 0.281 nan 8.230 nan 0.000 0.416 789 V N 5.864 125.698 119.914 -0.134 0.000 2.448 789 V HA 0.634 4.744 4.120 -0.016 0.000 0.295 789 V C -0.200 175.803 176.094 -0.151 0.000 1.025 789 V CA -0.596 61.613 62.300 -0.152 0.000 0.859 789 V CB 1.768 33.530 31.823 -0.102 0.000 0.988 789 V HN 0.741 nan 8.190 nan 0.000 0.431 790 R N 3.235 123.617 120.500 -0.196 0.000 2.534 790 R HA 0.807 5.137 4.340 -0.016 0.000 0.301 790 R C -1.600 174.692 176.300 -0.013 0.000 0.961 790 R CA -0.710 55.320 56.100 -0.117 0.000 0.871 790 R CB 2.516 32.716 30.300 -0.167 0.000 1.170 790 R HN 0.481 nan 8.270 nan 0.000 0.446 791 V N 3.624 123.538 119.914 0.000 0.000 2.419 791 V HA 0.122 4.233 4.120 -0.016 0.000 0.287 791 V C 0.532 176.639 176.094 0.021 0.000 1.017 791 V CA -0.683 61.626 62.300 0.015 0.000 0.844 791 V CB 1.350 33.158 31.823 -0.026 0.000 1.011 791 V HN 0.720 nan 8.190 nan 0.000 0.429 792 K N 4.975 125.399 120.400 0.041 0.000 1.991 792 K HA 0.138 4.448 4.320 -0.016 0.000 0.207 792 K C 0.756 177.357 176.600 0.000 0.000 1.045 792 K CA 1.449 57.743 56.287 0.012 0.000 0.937 792 K CB 0.249 32.744 32.500 -0.009 0.000 0.720 792 K HN 0.793 nan 8.250 nan 0.000 0.438 793 R N -1.493 118.987 120.500 -0.034 0.000 2.690 793 R HA 0.387 4.717 4.340 -0.016 0.000 0.269 793 R C -1.342 174.957 176.300 -0.001 0.000 1.037 793 R CA -0.828 55.245 56.100 -0.045 0.000 0.877 793 R CB 0.701 30.927 30.300 -0.123 0.000 1.255 793 R HN -0.009 nan 8.270 nan 0.000 0.467 794 M N 0.762 120.370 119.600 0.013 0.000 2.456 794 M HA 0.404 4.875 4.480 -0.016 0.000 0.324 794 M C 0.563 176.939 176.300 0.127 0.000 1.124 794 M CA -0.754 54.566 55.300 0.033 0.000 0.959 794 M CB 2.370 34.902 32.600 -0.112 0.000 1.692 794 M HN 0.928 nan 8.290 nan 0.000 0.444 795 G N 1.611 110.488 108.800 0.128 0.000 3.316 795 G HA2 0.487 4.437 3.960 -0.016 0.000 0.255 795 G HA3 0.487 4.437 3.960 -0.016 0.000 0.255 795 G C 0.396 175.292 174.900 -0.007 0.000 0.880 795 G CA 0.236 45.349 45.100 0.022 0.000 1.956 795 G HN 1.111 nan 8.290 nan 0.000 0.634 796 G N -1.168 107.577 108.800 -0.092 0.000 2.719 796 G HA2 0.335 4.285 3.960 -0.016 0.000 0.686 796 G HA3 0.335 4.285 3.960 -0.016 0.000 0.686 796 G C 0.563 175.239 174.900 -0.372 0.000 1.201 796 G CA -0.349 44.559 45.100 -0.319 0.000 0.768 796 G HN 1.199 nan 8.290 nan 0.000 0.629 797 G N -0.516 107.872 108.800 -0.688 0.000 2.604 797 G HA2 0.557 4.507 3.960 -0.016 0.000 0.202 797 G HA3 0.557 4.507 3.960 -0.016 0.000 0.202 797 G C 0.854 175.675 174.900 -0.132 0.000 1.212 797 G CA 0.795 45.682 45.100 -0.355 0.000 0.627 797 G HN 1.729 nan 8.290 nan 0.000 0.850 798 F N 0.776 120.747 119.950 0.034 0.000 3.034 798 F HA -0.197 4.320 4.527 -0.015 0.000 0.286 798 F C 1.930 177.742 175.800 0.021 0.000 0.804 798 F CA 0.902 58.914 58.000 0.019 0.000 1.161 798 F CB -1.457 37.503 39.000 -0.067 0.000 1.317 798 F HN 1.172 nan 8.300 nan 0.000 0.453 799 G N -1.014 107.854 108.800 0.114 0.000 2.234 799 G HA2 -0.198 3.752 3.960 -0.016 0.000 0.235 799 G HA3 -0.198 3.752 3.960 -0.016 0.000 0.235 799 G C 1.084 175.993 174.900 0.016 0.000 0.997 799 G CA 0.091 45.290 45.100 0.165 0.000 0.623 799 G HN 1.219 nan 8.290 nan 0.000 0.514 800 G N -0.011 108.556 108.800 -0.389 0.000 2.650 800 G HA2 0.252 4.202 3.960 -0.016 0.000 0.214 800 G HA3 0.252 4.202 3.960 -0.016 0.000 0.214 800 G C 1.154 175.990 174.900 -0.107 0.000 1.136 800 G CA 1.232 45.888 45.100 -0.740 0.000 0.789 800 G HN 0.515 nan 8.290 nan 0.000 0.536 801 K N -0.127 120.198 120.400 -0.124 0.000 2.455 801 K HA 0.198 4.508 4.320 -0.016 0.000 0.206 801 K C 1.381 177.973 176.600 -0.013 0.000 1.027 801 K CA -0.154 56.084 56.287 -0.082 0.000 1.113 801 K CB 0.739 33.064 32.500 -0.292 0.000 0.850 801 K HN 0.296 nan 8.250 nan 0.000 0.503 802 E N 0.906 121.129 120.200 0.038 0.000 2.107 802 E HA -0.136 4.204 4.350 -0.016 0.000 0.191 802 E C 1.289 177.927 176.600 0.063 0.000 0.982 802 E CA 1.829 58.272 56.400 0.071 0.000 0.809 802 E CB 0.432 30.220 29.700 0.147 0.000 0.756 802 E HN 0.309 nan 8.360 nan 0.000 0.459 803 T N -3.169 111.443 114.554 0.096 0.000 3.098 803 T HA 0.193 4.534 4.350 -0.016 0.000 0.256 803 T C 1.544 176.301 174.700 0.095 0.000 0.921 803 T CA -0.590 61.557 62.100 0.078 0.000 0.916 803 T CB -0.053 68.897 68.868 0.136 0.000 1.246 803 T HN -0.093 nan 8.240 nan 0.000 0.511 804 R N 2.650 123.219 120.500 0.115 0.000 2.280 804 R HA 0.186 4.516 4.340 -0.016 0.000 0.207 804 R C 2.612 178.887 176.300 -0.043 0.000 1.043 804 R CA 1.061 57.196 56.100 0.059 0.000 1.006 804 R CB -1.073 29.266 30.300 0.065 0.000 0.885 804 R HN 0.736 nan 8.270 nan 0.000 0.467 805 S N 0.484 116.237 115.700 0.089 0.000 2.419 805 S HA -0.178 4.282 4.470 -0.016 0.000 0.235 805 S C 1.987 176.611 174.600 0.040 0.000 1.019 805 S CA 1.726 60.007 58.200 0.135 0.000 0.982 805 S CB -0.715 62.584 63.200 0.166 0.000 0.789 805 S HN 0.470 nan 8.310 nan 0.000 0.490 806 T N 0.812 115.395 114.554 0.048 0.000 2.977 806 T HA 0.096 4.436 4.350 -0.016 0.000 0.271 806 T C 1.713 176.446 174.700 0.055 0.000 1.105 806 T CA 0.950 63.103 62.100 0.089 0.000 1.116 806 T CB -0.852 68.163 68.868 0.245 0.000 0.878 806 T HN 0.437 nan 8.240 nan 0.000 0.509 807 L N 0.386 121.613 121.223 0.007 0.000 2.042 807 L HA -0.064 4.267 4.340 -0.016 0.000 0.210 807 L C 2.900 179.752 176.870 -0.030 0.000 1.076 807 L CA 1.085 55.909 54.840 -0.027 0.000 0.749 807 L CB -0.669 41.362 42.059 -0.047 0.000 0.893 807 L HN 0.211 nan 8.230 nan 0.000 0.432 808 V N -1.387 118.512 119.914 -0.025 0.000 2.379 808 V HA -0.168 3.943 4.120 -0.016 0.000 0.243 808 V C 2.527 178.637 176.094 0.025 0.000 1.035 808 V CA 1.631 63.940 62.300 0.015 0.000 1.035 808 V CB 0.025 31.871 31.823 0.038 0.000 0.673 808 V HN 0.319 nan 8.190 nan 0.000 0.457 809 S N 0.254 115.971 115.700 0.028 0.000 2.374 809 S HA -0.197 4.263 4.470 -0.016 0.000 0.227 809 S C 1.977 176.586 174.600 0.014 0.000 1.037 809 S CA 1.730 59.948 58.200 0.030 0.000 1.024 809 S CB -0.273 62.944 63.200 0.029 0.000 0.861 809 S HN 0.373 nan 8.310 nan 0.000 0.456 810 V N 1.667 121.576 119.914 -0.007 0.000 2.453 810 V HA -0.102 4.008 4.120 -0.016 0.000 0.247 810 V C 2.599 178.640 176.094 -0.089 0.000 1.048 810 V CA 1.414 63.686 62.300 -0.048 0.000 1.049 810 V CB -1.193 30.581 31.823 -0.081 0.000 0.672 810 V HN 0.527 nan 8.190 nan 0.000 0.457 811 A N 0.053 122.812 122.820 -0.102 0.000 1.883 811 A HA -0.179 4.131 4.320 -0.016 0.000 0.217 811 A C 2.375 180.000 177.584 0.067 0.000 1.186 811 A CA 2.282 54.300 52.037 -0.031 0.000 0.624 811 A CB -0.699 18.332 19.000 0.052 0.000 0.822 811 A HN 0.344 nan 8.150 nan 0.000 0.444 812 V N -0.340 119.605 119.914 0.053 0.000 2.453 812 V HA -0.172 3.938 4.120 -0.016 0.000 0.247 812 V C 3.019 179.147 176.094 0.057 0.000 1.048 812 V CA 1.696 64.032 62.300 0.061 0.000 1.049 812 V CB -1.182 30.675 31.823 0.058 0.000 0.672 812 V HN 0.621 nan 8.190 nan 0.000 0.457 813 A N 0.149 122.996 122.820 0.044 0.000 1.902 813 A HA -0.215 4.095 4.320 -0.016 0.000 0.217 813 A C 2.177 179.811 177.584 0.084 0.000 1.181 813 A CA 2.134 54.201 52.037 0.049 0.000 0.623 813 A CB -0.616 18.397 19.000 0.022 0.000 0.818 813 A HN 0.456 nan 8.150 nan 0.000 0.443 814 L N -0.111 121.153 121.223 0.068 0.000 2.012 814 L HA -0.142 4.188 4.340 -0.016 0.000 0.210 814 L C 2.666 179.639 176.870 0.172 0.000 1.073 814 L CA 2.428 57.343 54.840 0.124 0.000 0.748 814 L CB -0.786 41.346 42.059 0.122 0.000 0.891 814 L HN 0.351 nan 8.230 nan 0.000 0.431 815 A N -0.514 122.376 122.820 0.117 0.000 1.902 815 A HA -0.124 4.186 4.320 -0.016 0.000 0.217 815 A C 2.468 180.087 177.584 0.060 0.000 1.181 815 A CA 1.987 54.066 52.037 0.070 0.000 0.623 815 A CB -1.264 17.760 19.000 0.040 0.000 0.818 815 A HN 0.620 nan 8.150 nan 0.000 0.443 816 A N -1.235 121.629 122.820 0.073 0.000 1.883 816 A HA -0.150 4.160 4.320 -0.016 0.000 0.217 816 A C 2.170 179.797 177.584 0.070 0.000 1.186 816 A CA 1.773 53.848 52.037 0.064 0.000 0.624 816 A CB -0.922 18.116 19.000 0.063 0.000 0.822 816 A HN 0.862 nan 8.150 nan 0.000 0.444 817 Y N 0.169 120.473 120.300 0.008 0.000 2.181 817 Y HA -0.171 4.370 4.550 -0.016 0.000 0.288 817 Y C 2.317 178.223 175.900 0.010 0.000 1.146 817 Y CA 2.336 60.440 58.100 0.006 0.000 1.164 817 Y CB -0.071 38.392 38.460 0.005 0.000 0.982 817 Y HN 0.130 nan 8.280 nan 0.000 0.515 818 K N -0.133 120.246 120.400 -0.035 0.000 2.062 818 K HA -0.093 4.217 4.320 -0.016 0.000 0.205 818 K C 2.115 178.627 176.600 -0.145 0.000 1.051 818 K CA 1.822 58.037 56.287 -0.120 0.000 0.941 818 K CB -0.523 32.013 32.500 0.059 0.000 0.719 818 K HN 0.588 nan 8.250 nan 0.000 0.440 819 T N -3.354 111.153 114.554 -0.078 0.000 3.014 819 T HA 0.079 4.420 4.350 -0.016 0.000 0.263 819 T C 1.450 176.176 174.700 0.043 0.000 1.078 819 T CA 1.095 63.161 62.100 -0.058 0.000 1.135 819 T CB -0.036 68.770 68.868 -0.103 0.000 0.895 819 T HN 0.326 nan 8.240 nan 0.000 0.480 820 G N 1.088 109.887 108.800 -0.002 0.000 2.168 820 G HA2 -0.242 3.708 3.960 -0.016 0.000 0.263 820 G HA3 -0.242 3.708 3.960 -0.016 0.000 0.263 820 G C -0.112 174.819 174.900 0.051 0.000 0.977 820 G CA 0.475 45.578 45.100 0.005 0.000 0.659 820 G HN 0.772 nan 8.290 nan 0.000 0.533 821 H N 0.695 119.715 119.070 -0.082 0.000 2.502 821 H HA 0.544 5.090 4.556 -0.016 0.000 0.338 821 H C -2.207 173.075 175.328 -0.077 0.000 1.155 821 H CA -1.962 54.038 56.048 -0.080 0.000 1.237 821 H CB 1.061 30.785 29.762 -0.064 0.000 1.534 821 H HN 0.045 nan 8.280 nan 0.000 0.523 822 P HA 0.007 nan 4.420 nan 0.000 0.266 822 P C -0.843 176.465 177.300 0.013 0.000 1.195 822 P CA 0.248 63.359 63.100 0.019 0.000 0.768 822 P CB 0.577 32.311 31.700 0.057 0.000 0.838 823 V N 3.820 123.730 119.914 -0.007 0.000 2.841 823 V HA 0.652 4.762 4.120 -0.016 0.000 0.310 823 V C 0.112 176.163 176.094 -0.071 0.000 1.090 823 V CA -0.674 61.583 62.300 -0.073 0.000 0.930 823 V CB 2.228 34.039 31.823 -0.021 0.000 1.014 823 V HN 0.606 nan 8.190 nan 0.000 0.425 824 R N 1.780 122.186 120.500 -0.157 0.000 2.836 824 R HA 0.927 5.257 4.340 -0.016 0.000 0.269 824 R C -1.486 174.851 176.300 0.061 0.000 1.010 824 R CA -0.642 55.436 56.100 -0.036 0.000 0.930 824 R CB 1.851 32.125 30.300 -0.043 0.000 1.218 824 R HN 0.723 nan 8.270 nan 0.000 0.473 825 C N 2.691 122.059 119.300 0.113 0.000 2.642 825 C HA 0.630 5.080 4.460 -0.016 0.000 0.344 825 C C -0.926 174.148 174.990 0.141 0.000 1.110 825 C CA -0.607 58.503 59.018 0.154 0.000 1.298 825 C CB 1.319 29.136 27.740 0.129 0.000 1.827 825 C HN 0.982 nan 8.230 nan 0.000 0.467 826 M N 6.713 126.404 119.600 0.151 0.000 2.311 826 M HA 0.560 5.031 4.480 -0.016 0.000 0.325 826 M C -1.280 175.088 176.300 0.113 0.000 1.061 826 M CA -0.576 54.795 55.300 0.118 0.000 0.957 826 M CB 1.239 33.900 32.600 0.102 0.000 1.646 826 M HN 0.713 nan 8.290 nan 0.000 0.434 827 L N 3.882 125.173 121.223 0.113 0.000 2.426 827 L HA 0.192 4.523 4.340 -0.016 0.000 0.271 827 L C 0.207 177.131 176.870 0.091 0.000 1.169 827 L CA -0.375 54.533 54.840 0.112 0.000 0.836 827 L CB 0.276 42.416 42.059 0.135 0.000 1.112 827 L HN 0.650 nan 8.230 nan 0.000 0.465 828 D N 1.290 121.742 120.400 0.086 0.000 2.382 828 D HA 0.004 4.635 4.640 -0.016 0.000 0.240 828 D C 0.993 177.326 176.300 0.056 0.000 1.146 828 D CA -0.126 53.915 54.000 0.069 0.000 0.897 828 D CB 1.063 41.911 40.800 0.079 0.000 1.197 828 D HN 0.357 nan 8.370 nan 0.000 0.432 829 R N 1.812 122.327 120.500 0.024 0.000 2.103 829 R HA -0.206 4.125 4.340 -0.016 0.000 0.242 829 R C 1.715 178.017 176.300 0.005 0.000 1.142 829 R CA 1.875 57.958 56.100 -0.028 0.000 0.960 829 R CB -0.155 30.113 30.300 -0.054 0.000 0.858 829 R HN 0.529 nan 8.270 nan 0.000 0.439 830 N N 0.344 119.069 118.700 0.042 0.000 2.244 830 N HA -0.189 4.542 4.740 -0.016 0.000 0.183 830 N C 1.112 176.655 175.510 0.054 0.000 1.016 830 N CA 1.801 54.882 53.050 0.052 0.000 0.866 830 N CB -0.360 38.169 38.487 0.071 0.000 0.980 830 N HN 0.479 nan 8.380 nan 0.000 0.430 831 E N 0.289 120.529 120.200 0.067 0.000 2.047 831 E HA -0.152 4.188 4.350 -0.016 0.000 0.191 831 E C 1.377 178.025 176.600 0.079 0.000 0.987 831 E CA 0.954 57.399 56.400 0.075 0.000 0.799 831 E CB -0.099 29.654 29.700 0.088 0.000 0.752 831 E HN 0.407 nan 8.360 nan 0.000 0.449 832 D N 0.852 121.308 120.400 0.093 0.000 2.084 832 D HA -0.151 4.480 4.640 -0.016 0.000 0.194 832 D C 2.041 178.408 176.300 0.111 0.000 0.990 832 D CA 1.134 55.221 54.000 0.145 0.000 0.826 832 D CB 0.046 40.970 40.800 0.206 0.000 0.971 832 D HN 0.126 nan 8.370 nan 0.000 0.453 833 M N -0.121 119.503 119.600 0.039 0.000 2.159 833 M HA -0.174 4.296 4.480 -0.016 0.000 0.263 833 M C 2.312 178.626 176.300 0.023 0.000 1.063 833 M CA 0.783 56.081 55.300 -0.004 0.000 1.110 833 M CB -0.130 32.431 32.600 -0.065 0.000 1.374 833 M HN 0.075 nan 8.290 nan 0.000 0.411 834 L N 0.315 121.562 121.223 0.040 0.000 2.072 834 L HA -0.050 4.281 4.340 -0.016 0.000 0.205 834 L C 1.959 178.874 176.870 0.075 0.000 1.079 834 L CA 1.827 56.700 54.840 0.054 0.000 0.752 834 L CB -0.192 41.899 42.059 0.053 0.000 0.906 834 L HN 0.183 nan 8.230 nan 0.000 0.436 835 I N -1.433 119.181 120.570 0.074 0.000 2.731 835 I HA -0.100 4.061 4.170 -0.016 0.000 0.260 835 I C 1.916 178.068 176.117 0.058 0.000 1.138 835 I CA 1.140 62.481 61.300 0.068 0.000 1.461 835 I CB -0.241 37.795 38.000 0.060 0.000 1.128 835 I HN 0.360 nan 8.210 nan 0.000 0.438 836 T N -1.468 113.128 114.554 0.070 0.000 3.107 836 T HA 0.419 4.760 4.350 -0.016 0.000 0.249 836 T C 0.944 175.737 174.700 0.154 0.000 1.096 836 T CA 0.259 62.396 62.100 0.061 0.000 1.012 836 T CB -0.145 68.742 68.868 0.032 0.000 0.977 836 T HN 0.484 nan 8.240 nan 0.000 0.527 837 G N -0.794 108.102 108.800 0.159 0.000 2.730 837 G HA2 0.373 4.324 3.960 -0.016 0.000 0.686 837 G HA3 0.373 4.324 3.960 -0.016 0.000 0.686 837 G C -0.135 174.924 174.900 0.265 0.000 1.343 837 G CA -0.579 44.625 45.100 0.174 0.000 0.826 837 G HN 1.073 nan 8.290 nan 0.000 0.582 838 G N -0.641 108.271 108.800 0.187 0.000 3.166 838 G HA2 0.776 4.726 3.960 -0.016 0.000 0.267 838 G HA3 0.776 4.726 3.960 -0.016 0.000 0.267 838 G C -0.002 175.009 174.900 0.185 0.000 1.256 838 G CA -0.044 45.142 45.100 0.143 0.000 0.859 838 G HN 0.875 nan 8.290 nan 0.000 0.590 839 R N 0.216 120.835 120.500 0.200 0.000 2.590 839 R HA 0.100 4.431 4.340 -0.016 0.000 0.274 839 R C -0.337 176.038 176.300 0.126 0.000 1.061 839 R CA -0.275 55.933 56.100 0.180 0.000 1.081 839 R CB 0.003 30.223 30.300 -0.134 0.000 0.984 839 R HN 0.589 nan 8.270 nan 0.000 0.448 840 H N 5.046 124.202 119.070 0.143 0.000 2.975 840 H HA 0.076 4.622 4.556 -0.016 0.000 0.303 840 H C -1.920 173.529 175.328 0.202 0.000 1.023 840 H CA -1.428 54.725 56.048 0.175 0.000 1.473 840 H CB 0.635 30.540 29.762 0.237 0.000 1.498 840 H HN 0.414 nan 8.280 nan 0.000 0.549 841 P HA 0.030 nan 4.420 nan 0.000 0.269 841 P C -0.638 176.794 177.300 0.220 0.000 1.209 841 P CA 0.494 63.645 63.100 0.086 0.000 0.776 841 P CB 0.465 32.227 31.700 0.104 0.000 0.876 842 F N 1.359 121.218 119.950 -0.152 0.000 2.551 842 F HA 0.500 5.017 4.527 -0.016 0.000 0.316 842 F C -0.277 175.568 175.800 0.076 0.000 1.089 842 F CA -1.077 56.948 58.000 0.042 0.000 0.915 842 F CB 1.719 40.776 39.000 0.095 0.000 1.186 842 F HN 0.081 nan 8.300 nan 0.000 0.456 843 L N 3.299 124.759 121.223 0.395 0.000 2.322 843 L HA 0.875 5.205 4.340 -0.016 0.000 0.281 843 L C -1.014 176.141 176.870 0.476 0.000 1.014 843 L CA -0.364 54.751 54.840 0.459 0.000 0.815 843 L CB 1.420 43.722 42.059 0.406 0.000 1.247 843 L HN 0.609 nan 8.230 nan 0.000 0.421 844 A N 5.215 128.289 122.820 0.423 0.000 2.371 844 A HA 0.868 5.178 4.320 -0.016 0.000 0.311 844 A C -0.791 177.004 177.584 0.351 0.000 1.068 844 A CA -0.713 51.532 52.037 0.346 0.000 0.744 844 A CB 1.051 20.221 19.000 0.283 0.000 1.239 844 A HN 0.731 nan 8.150 nan 0.000 0.435 845 R N 1.116 121.785 120.500 0.282 0.000 2.393 845 R HA 0.579 4.909 4.340 -0.016 0.000 0.315 845 R C -1.522 174.880 176.300 0.171 0.000 0.952 845 R CA -0.388 55.826 56.100 0.190 0.000 0.842 845 R CB 1.534 31.928 30.300 0.157 0.000 1.163 845 R HN 0.804 nan 8.270 nan 0.000 0.450 846 Y N -0.637 119.702 120.300 0.064 0.000 2.545 846 Y HA 0.665 5.205 4.550 -0.017 0.000 0.348 846 Y C -1.066 174.845 175.900 0.019 0.000 1.002 846 Y CA -1.341 56.781 58.100 0.035 0.000 1.039 846 Y CB 1.886 40.397 38.460 0.085 0.000 1.271 846 Y HN 0.337 nan 8.280 nan 0.000 0.467 847 K N 2.668 123.128 120.400 0.100 0.000 2.535 847 K HA 0.698 5.008 4.320 -0.016 0.000 0.250 847 K C -2.263 174.462 176.600 0.208 0.000 0.948 847 K CA -0.738 55.586 56.287 0.063 0.000 0.796 847 K CB 2.109 34.540 32.500 -0.115 0.000 1.216 847 K HN 0.735 nan 8.250 nan 0.000 0.432 848 V N 1.722 121.770 119.914 0.222 0.000 2.555 848 V HA 0.714 4.825 4.120 -0.016 0.000 0.302 848 V C 0.322 176.666 176.094 0.415 0.000 1.038 848 V CA -0.946 61.434 62.300 0.134 0.000 0.887 848 V CB 1.672 33.453 31.823 -0.070 0.000 0.991 848 V HN 0.859 nan 8.190 nan 0.000 0.434 849 G N 3.126 112.079 108.800 0.254 0.000 2.415 849 G HA2 0.834 4.784 3.960 -0.016 0.000 0.327 849 G HA3 0.834 4.784 3.960 -0.016 0.000 0.327 849 G C -1.181 173.791 174.900 0.120 0.000 1.182 849 G CA -0.502 44.686 45.100 0.147 0.000 0.924 849 G HN 0.849 nan 8.290 nan 0.000 0.470 850 F N 0.230 120.150 119.950 -0.051 0.000 2.686 850 F HA 0.753 5.270 4.527 -0.016 0.000 0.311 850 F C -0.620 175.160 175.800 -0.033 0.000 1.128 850 F CA -1.851 56.111 58.000 -0.063 0.000 0.946 850 F CB 1.320 40.292 39.000 -0.047 0.000 1.336 850 F HN 0.245 nan 8.300 nan 0.000 0.457 851 M N 1.518 121.189 119.600 0.118 0.000 2.267 851 M HA 0.352 4.823 4.480 -0.016 0.000 0.303 851 M C 0.954 177.321 176.300 0.113 0.000 1.164 851 M CA -0.465 54.858 55.300 0.039 0.000 1.060 851 M CB 1.124 33.742 32.600 0.032 0.000 1.455 851 M HN 0.785 nan 8.290 nan 0.000 0.483 852 K N 0.145 120.576 120.400 0.051 0.000 2.442 852 K HA -0.054 4.256 4.320 -0.016 0.000 0.198 852 K C 1.211 177.872 176.600 0.102 0.000 1.042 852 K CA 1.058 57.394 56.287 0.081 0.000 0.958 852 K CB -0.184 32.338 32.500 0.037 0.000 0.766 852 K HN 0.676 nan 8.250 nan 0.000 0.474 853 T N -0.484 114.122 114.554 0.086 0.000 3.088 853 T HA 0.031 4.371 4.350 -0.016 0.000 0.259 853 T C 1.262 176.011 174.700 0.082 0.000 1.122 853 T CA 0.938 63.082 62.100 0.073 0.000 1.095 853 T CB 0.283 69.180 68.868 0.047 0.000 0.930 853 T HN 0.529 nan 8.240 nan 0.000 0.508 854 G N 1.245 110.123 108.800 0.129 0.000 2.194 854 G HA2 -0.237 3.713 3.960 -0.016 0.000 0.236 854 G HA3 -0.237 3.713 3.960 -0.016 0.000 0.236 854 G C 0.346 175.269 174.900 0.038 0.000 0.987 854 G CA 0.009 45.156 45.100 0.079 0.000 0.635 854 G HN 0.491 nan 8.290 nan 0.000 0.520 855 T N 3.199 117.784 114.554 0.052 0.000 2.853 855 T HA 0.457 4.798 4.350 -0.016 0.000 0.298 855 T C 0.873 175.593 174.700 0.032 0.000 0.978 855 T CA 0.081 62.184 62.100 0.006 0.000 1.152 855 T CB 0.849 69.712 68.868 -0.008 0.000 0.914 855 T HN 0.245 nan 8.240 nan 0.000 0.539 856 I N 4.879 125.432 120.570 -0.029 0.000 2.441 856 I HA 0.114 4.274 4.170 -0.016 0.000 0.287 856 I C 1.397 177.455 176.117 -0.099 0.000 1.049 856 I CA -0.249 61.019 61.300 -0.054 0.000 1.381 856 I CB 0.673 38.596 38.000 -0.128 0.000 1.409 856 I HN 0.534 nan 8.210 nan 0.000 0.523 857 V N 2.377 122.214 119.914 -0.129 0.000 3.562 857 V HA 0.728 4.838 4.120 -0.016 0.000 0.270 857 V C 0.466 176.374 176.094 -0.309 0.000 1.418 857 V CA 0.261 62.453 62.300 -0.180 0.000 1.033 857 V CB 0.396 32.132 31.823 -0.144 0.000 0.820 857 V HN 0.790 nan 8.190 nan 0.000 0.441 858 A N 0.633 123.196 122.820 -0.428 0.000 2.577 858 A HA 0.831 5.142 4.320 -0.016 0.000 0.297 858 A C -1.931 175.303 177.584 -0.584 0.000 1.060 858 A CA -0.385 51.240 52.037 -0.687 0.000 0.697 858 A CB 2.210 20.343 19.000 -1.445 0.000 1.281 858 A HN 0.719 nan 8.150 nan 0.000 0.402 859 L N 0.679 121.663 121.223 -0.398 0.000 2.464 859 L HA 0.739 5.069 4.340 -0.016 0.000 0.266 859 L C -0.781 176.068 176.870 -0.034 0.000 0.965 859 L CA 0.085 54.771 54.840 -0.256 0.000 0.833 859 L CB 1.978 43.792 42.059 -0.408 0.000 1.296 859 L HN 0.799 nan 8.230 nan 0.000 0.405 860 E N 3.637 123.891 120.200 0.091 0.000 2.241 860 E HA 0.681 5.022 4.350 -0.016 0.000 0.263 860 E C -1.866 174.782 176.600 0.079 0.000 0.882 860 E CA -0.590 55.879 56.400 0.116 0.000 0.769 860 E CB 2.110 31.919 29.700 0.181 0.000 1.185 860 E HN 0.478 nan 8.360 nan 0.000 0.415 861 V N 3.971 123.923 119.914 0.062 0.000 2.525 861 V HA 0.279 4.390 4.120 -0.016 0.000 0.299 861 V C -0.878 175.180 176.094 -0.061 0.000 1.034 861 V CA -1.034 61.268 62.300 0.002 0.000 0.863 861 V CB 1.894 33.681 31.823 -0.060 0.000 0.999 861 V HN 0.628 nan 8.190 nan 0.000 0.423 862 D N 2.863 123.226 120.400 -0.062 0.000 2.280 862 D HA 0.462 5.092 4.640 -0.016 0.000 0.236 862 D C -0.453 175.740 176.300 -0.179 0.000 1.082 862 D CA -0.173 53.764 54.000 -0.105 0.000 0.834 862 D CB 1.249 42.034 40.800 -0.025 0.000 1.100 862 D HN 0.606 nan 8.370 nan 0.000 0.486 863 H N 1.054 120.027 119.070 -0.161 0.000 2.479 863 H HA 0.435 4.981 4.556 -0.016 0.000 0.335 863 H C -0.774 174.288 175.328 -0.443 0.000 1.142 863 H CA -0.390 55.632 56.048 -0.043 0.000 1.234 863 H CB 0.998 30.849 29.762 0.149 0.000 1.503 863 H HN 0.307 nan 8.280 nan 0.000 0.510 864 Y N 0.382 120.718 120.300 0.060 0.000 2.386 864 Y HA 0.332 4.872 4.550 -0.017 0.000 0.334 864 Y C -0.317 175.382 175.900 -0.335 0.000 1.002 864 Y CA -0.934 57.124 58.100 -0.069 0.000 1.068 864 Y CB 1.913 40.413 38.460 0.067 0.000 1.203 864 Y HN 0.666 nan 8.280 nan 0.000 0.443 865 S N 1.644 117.136 115.700 -0.348 0.000 2.565 865 S HA 0.386 4.847 4.470 -0.016 0.000 0.290 865 S C -0.591 173.990 174.600 -0.032 0.000 1.150 865 S CA -0.957 56.942 58.200 -0.501 0.000 1.058 865 S CB 1.493 64.294 63.200 -0.666 0.000 1.032 865 S HN 0.633 nan 8.310 nan 0.000 0.510 866 N N 1.396 120.129 118.700 0.055 0.000 2.482 866 N HA 0.348 5.079 4.740 -0.016 0.000 0.242 866 N C 0.713 176.283 175.510 0.099 0.000 1.100 866 N CA -0.207 52.892 53.050 0.081 0.000 0.946 866 N CB 1.002 39.527 38.487 0.063 0.000 1.227 866 N HN 0.791 nan 8.380 nan 0.000 0.508 867 A N 2.444 125.364 122.820 0.167 0.000 2.072 867 A HA 0.365 4.675 4.320 -0.016 0.000 0.216 867 A C 1.232 178.892 177.584 0.127 0.000 1.156 867 A CA 0.930 53.108 52.037 0.235 0.000 0.701 867 A CB -0.618 18.634 19.000 0.420 0.000 0.816 867 A HN 0.851 nan 8.150 nan 0.000 0.458 868 G N 0.652 109.504 108.800 0.087 0.000 2.553 868 G HA2 -0.288 3.662 3.960 -0.016 0.000 0.242 868 G HA3 -0.288 3.662 3.960 -0.016 0.000 0.242 868 G C 0.206 175.184 174.900 0.130 0.000 1.277 868 G CA 0.262 45.386 45.100 0.040 0.000 0.910 868 G HN 1.099 nan 8.290 nan 0.000 0.576 869 N N 0.481 119.215 118.700 0.058 0.000 2.313 869 N HA 0.335 5.065 4.740 -0.016 0.000 0.207 869 N C 0.481 176.047 175.510 0.093 0.000 1.141 869 N CA 1.172 54.258 53.050 0.059 0.000 0.830 869 N CB 0.009 38.441 38.487 -0.092 0.000 1.008 869 N HN 1.770 nan 8.380 nan 0.000 0.481 870 S N -1.603 114.142 115.700 0.075 0.000 2.615 870 S HA 0.478 4.938 4.470 -0.016 0.000 0.269 870 S C 0.430 174.815 174.600 -0.358 0.000 1.161 870 S CA -0.921 57.217 58.200 -0.104 0.000 0.817 870 S CB 1.889 65.066 63.200 -0.039 0.000 1.131 870 S HN -0.006 nan 8.310 nan 0.000 0.467 871 R N 0.682 120.851 120.500 -0.553 0.000 2.061 871 R HA 0.089 4.419 4.340 -0.016 0.000 0.230 871 R C 0.853 177.124 176.300 -0.048 0.000 1.140 871 R CA 1.631 57.422 56.100 -0.515 0.000 0.940 871 R CB -0.800 29.192 30.300 -0.513 0.000 0.839 871 R HN 0.896 nan 8.270 nan 0.000 0.429 872 D N -1.169 119.325 120.400 0.156 0.000 3.452 872 D HA -0.288 4.343 4.640 -0.016 0.000 0.164 872 D C 0.119 176.640 176.300 0.368 0.000 1.074 872 D CA 2.020 56.186 54.000 0.277 0.000 1.069 872 D CB -0.784 40.143 40.800 0.210 0.000 0.527 872 D HN 0.094 nan 8.370 nan 0.000 0.558 873 L N 0.355 121.776 121.223 0.331 0.000 2.629 873 L HA 0.228 4.558 4.340 -0.016 0.000 0.230 873 L C 1.987 178.937 176.870 0.132 0.000 1.151 873 L CA 0.137 55.181 54.840 0.339 0.000 0.924 873 L CB -0.054 42.269 42.059 0.441 0.000 1.137 873 L HN 0.162 nan 8.230 nan 0.000 0.457 874 S N -0.657 115.110 115.700 0.112 0.000 2.382 874 S HA -0.247 4.213 4.470 -0.016 0.000 0.228 874 S C 1.884 176.416 174.600 -0.114 0.000 1.027 874 S CA 1.428 59.602 58.200 -0.043 0.000 0.991 874 S CB -0.208 63.078 63.200 0.142 0.000 0.823 874 S HN 0.598 nan 8.310 nan 0.000 0.469 875 H N 1.139 120.143 119.070 -0.110 0.000 2.321 875 H HA 0.030 4.577 4.556 -0.016 0.000 0.300 875 H C 2.162 177.450 175.328 -0.067 0.000 1.087 875 H CA 1.870 57.846 56.048 -0.121 0.000 1.319 875 H CB -0.183 29.481 29.762 -0.163 0.000 1.379 875 H HN 0.234 nan 8.280 nan 0.000 0.501 876 S N -0.361 115.439 115.700 0.168 0.000 2.428 876 S HA -0.062 4.399 4.470 -0.016 0.000 0.230 876 S C 2.176 176.802 174.600 0.043 0.000 1.014 876 S CA 1.027 59.378 58.200 0.253 0.000 0.957 876 S CB -0.101 63.420 63.200 0.534 0.000 0.784 876 S HN 0.369 nan 8.310 nan 0.000 0.499 877 I N 0.836 121.165 120.570 -0.402 0.000 2.226 877 I HA -0.198 3.962 4.170 -0.016 0.000 0.245 877 I C 2.419 178.390 176.117 -0.244 0.000 1.100 877 I CA 1.100 61.998 61.300 -0.671 0.000 1.374 877 I CB -0.187 37.293 38.000 -0.867 0.000 1.057 877 I HN 0.300 nan 8.210 nan 0.000 0.413 878 M N 0.690 120.149 119.600 -0.234 0.000 2.175 878 M HA -0.174 4.297 4.480 -0.016 0.000 0.264 878 M C 2.002 178.174 176.300 -0.213 0.000 1.063 878 M CA 1.778 56.971 55.300 -0.179 0.000 1.119 878 M CB -0.418 32.007 32.600 -0.291 0.000 1.377 878 M HN 0.091 nan 8.290 nan 0.000 0.415 879 E N -0.523 119.534 120.200 -0.237 0.000 2.038 879 E HA -0.278 4.062 4.350 -0.016 0.000 0.195 879 E C 2.213 178.736 176.600 -0.127 0.000 1.000 879 E CA 1.558 57.837 56.400 -0.201 0.000 0.803 879 E CB -0.262 29.452 29.700 0.023 0.000 0.750 879 E HN 0.516 nan 8.360 nan 0.000 0.448 880 R N 0.510 121.107 120.500 0.162 0.000 2.081 880 R HA -0.154 4.176 4.340 -0.016 0.000 0.235 880 R C 2.251 178.694 176.300 0.238 0.000 1.131 880 R CA 1.307 57.627 56.100 0.368 0.000 0.960 880 R CB -0.224 30.294 30.300 0.363 0.000 0.856 880 R HN 0.136 nan 8.270 nan 0.000 0.436 881 A N 1.288 124.121 122.820 0.022 0.000 1.873 881 A HA -0.191 4.119 4.320 -0.016 0.000 0.218 881 A C 2.205 179.744 177.584 -0.075 0.000 1.193 881 A CA 1.648 53.634 52.037 -0.085 0.000 0.629 881 A CB -0.781 18.122 19.000 -0.162 0.000 0.826 881 A HN 0.380 nan 8.150 nan 0.000 0.447 882 L N -1.954 119.173 121.223 -0.160 0.000 2.127 882 L HA -0.173 4.158 4.340 -0.016 0.000 0.211 882 L C 2.385 179.318 176.870 0.105 0.000 1.089 882 L CA 1.190 55.975 54.840 -0.092 0.000 0.757 882 L CB -0.558 41.408 42.059 -0.155 0.000 0.899 882 L HN 0.442 nan 8.230 nan 0.000 0.434 883 F N -1.321 118.672 119.950 0.071 0.000 2.502 883 F HA -0.128 4.389 4.527 -0.017 0.000 0.298 883 F C 2.110 177.919 175.800 0.014 0.000 1.111 883 F CA 0.584 58.496 58.000 -0.146 0.000 1.445 883 F CB -0.016 38.788 39.000 -0.327 0.000 1.081 883 F HN 0.216 nan 8.300 nan 0.000 0.558 884 H N -0.405 118.850 119.070 0.308 0.000 2.784 884 H HA 0.152 4.698 4.556 -0.016 0.000 0.273 884 H C 1.975 177.376 175.328 0.120 0.000 1.112 884 H CA 0.277 56.439 56.048 0.190 0.000 1.162 884 H CB 0.074 29.843 29.762 0.012 0.000 1.586 884 H HN 0.393 nan 8.280 nan 0.000 0.548 885 M N 0.632 120.360 119.600 0.214 0.000 2.539 885 M HA -0.076 4.394 4.480 -0.016 0.000 0.261 885 M C 1.054 177.418 176.300 0.107 0.000 1.069 885 M CA 1.540 56.938 55.300 0.165 0.000 1.081 885 M CB -0.151 32.588 32.600 0.232 0.000 1.412 885 M HN -0.075 nan 8.290 nan 0.000 0.482 886 D N -0.480 119.926 120.400 0.009 0.000 2.323 886 D HA -0.075 4.556 4.640 -0.016 0.000 0.209 886 D C 0.977 177.330 176.300 0.088 0.000 0.973 886 D CA 0.533 54.570 54.000 0.062 0.000 0.874 886 D CB -0.598 40.262 40.800 0.100 0.000 0.930 886 D HN 0.520 nan 8.370 nan 0.000 0.521 887 N N 0.232 118.955 118.700 0.038 0.000 1.154 887 N HA -0.315 4.416 4.740 -0.016 0.000 0.135 887 N C 0.039 175.483 175.510 -0.110 0.000 0.562 887 N CA 2.658 55.662 53.050 -0.076 0.000 0.947 887 N CB -1.273 37.091 38.487 -0.205 0.000 1.354 887 N HN 0.361 nan 8.380 nan 0.000 0.505 888 C N -0.129 118.828 119.300 -0.571 0.000 2.668 888 C HA 0.409 4.859 4.460 -0.016 0.000 0.301 888 C C -0.625 173.952 174.990 -0.688 0.000 1.351 888 C CA -0.492 58.296 59.018 -0.383 0.000 1.757 888 C CB -2.002 25.520 27.740 -0.363 0.000 2.179 888 C HN 0.340 nan 8.230 nan 0.000 0.586 889 Y N 0.496 120.560 120.300 -0.393 0.000 2.352 889 Y HA 0.429 4.969 4.550 -0.016 0.000 0.339 889 Y C 0.231 175.488 175.900 -1.072 0.000 0.992 889 Y CA -1.002 56.730 58.100 -0.613 0.000 1.100 889 Y CB 0.865 39.177 38.460 -0.246 0.000 1.192 889 Y HN -0.134 nan 8.280 nan 0.000 0.458 890 K N 3.880 123.737 120.400 -0.904 0.000 2.349 890 K HA 0.470 4.780 4.320 -0.016 0.000 0.288 890 K C -1.476 174.960 176.600 -0.274 0.000 1.058 890 K CA 0.247 56.130 56.287 -0.673 0.000 0.953 890 K CB -0.014 32.229 32.500 -0.428 0.000 0.997 890 K HN 0.672 nan 8.250 nan 0.000 0.477 891 I N 8.396 128.863 120.570 -0.173 0.000 2.476 891 I HA 0.245 4.406 4.170 -0.016 0.000 0.281 891 I C -1.554 174.510 176.117 -0.088 0.000 1.040 891 I CA -1.842 59.385 61.300 -0.122 0.000 1.094 891 I CB 2.026 39.962 38.000 -0.108 0.000 1.219 891 I HN 0.639 nan 8.210 nan 0.000 0.450 892 P HA -0.034 nan 4.420 nan 0.000 0.221 892 P C -0.277 176.981 177.300 -0.070 0.000 1.150 892 P CA 1.098 64.154 63.100 -0.072 0.000 0.800 892 P CB 0.264 31.916 31.700 -0.081 0.000 0.787 893 N N 0.497 119.129 118.700 -0.114 0.000 2.491 893 N HA 0.417 5.147 4.740 -0.016 0.000 0.274 893 N C -0.869 174.565 175.510 -0.127 0.000 1.023 893 N CA -0.319 52.662 53.050 -0.116 0.000 0.902 893 N CB 2.290 40.673 38.487 -0.173 0.000 1.267 893 N HN 0.094 nan 8.380 nan 0.000 0.503 894 I N 0.809 121.352 120.570 -0.044 0.000 2.722 894 I HA 0.437 4.598 4.170 -0.016 0.000 0.295 894 I C -1.371 174.777 176.117 0.053 0.000 1.161 894 I CA -0.726 60.563 61.300 -0.017 0.000 1.032 894 I CB 2.478 40.473 38.000 -0.008 0.000 1.244 894 I HN 0.328 nan 8.210 nan 0.000 0.421 895 R N 5.128 125.668 120.500 0.066 0.000 2.510 895 R HA 0.608 4.938 4.340 -0.016 0.000 0.294 895 R C -1.417 174.953 176.300 0.117 0.000 1.056 895 R CA -0.568 55.594 56.100 0.102 0.000 0.918 895 R CB 1.905 32.261 30.300 0.093 0.000 1.187 895 R HN 0.816 nan 8.270 nan 0.000 0.437 896 G N 1.818 110.713 108.800 0.158 0.000 2.461 896 G HA2 0.501 4.451 3.960 -0.016 0.000 0.323 896 G HA3 0.501 4.451 3.960 -0.016 0.000 0.323 896 G C -0.595 174.402 174.900 0.162 0.000 1.229 896 G CA -0.404 44.818 45.100 0.203 0.000 0.941 896 G HN 0.558 nan 8.290 nan 0.000 0.477 897 T N -1.087 113.554 114.554 0.146 0.000 2.916 897 T HA 0.845 5.185 4.350 -0.016 0.000 0.292 897 T C -0.025 174.688 174.700 0.022 0.000 1.055 897 T CA -0.597 61.523 62.100 0.034 0.000 1.009 897 T CB 2.343 71.179 68.868 -0.052 0.000 1.118 897 T HN 1.168 nan 8.240 nan 0.000 0.497 898 G N 0.431 109.153 108.800 -0.130 0.000 2.682 898 G HA2 0.641 4.591 3.960 -0.016 0.000 0.300 898 G HA3 0.641 4.591 3.960 -0.016 0.000 0.300 898 G C -1.620 173.090 174.900 -0.318 0.000 1.391 898 G CA -0.970 44.002 45.100 -0.213 0.000 0.990 898 G HN 0.725 nan 8.290 nan 0.000 0.501 899 R N 0.572 120.845 120.500 -0.377 0.000 2.621 899 R HA 0.576 4.907 4.340 -0.016 0.000 0.284 899 R C -0.826 175.417 176.300 -0.095 0.000 0.998 899 R CA -0.819 55.088 56.100 -0.321 0.000 0.895 899 R CB 1.526 31.511 30.300 -0.525 0.000 1.195 899 R HN 0.434 nan 8.270 nan 0.000 0.450 900 L N 3.495 124.735 121.223 0.029 0.000 2.257 900 L HA 0.477 4.807 4.340 -0.016 0.000 0.290 900 L C -0.389 176.662 176.870 0.301 0.000 1.044 900 L CA -0.926 54.005 54.840 0.152 0.000 0.810 900 L CB 1.382 43.564 42.059 0.205 0.000 1.193 900 L HN 0.515 nan 8.230 nan 0.000 0.425 901 C N 3.275 122.721 119.300 0.244 0.000 2.482 901 C HA 0.161 4.611 4.460 -0.016 0.000 0.378 901 C C 0.825 175.761 174.990 -0.090 0.000 1.284 901 C CA -0.679 58.409 59.018 0.116 0.000 1.826 901 C CB 0.103 27.895 27.740 0.087 0.000 2.473 901 C HN 0.691 nan 8.230 nan 0.000 0.562 902 K N 3.524 123.693 120.400 -0.384 0.000 2.267 902 K HA 0.440 4.750 4.320 -0.016 0.000 0.282 902 K C 0.126 176.530 176.600 -0.326 0.000 1.078 902 K CA 0.171 56.084 56.287 -0.624 0.000 0.903 902 K CB 0.462 32.308 32.500 -1.090 0.000 1.111 902 K HN 0.909 nan 8.250 nan 0.000 0.475 903 T N 0.150 114.595 114.554 -0.181 0.000 2.883 903 T HA 0.307 4.648 4.350 -0.016 0.000 0.296 903 T C -0.091 174.526 174.700 -0.138 0.000 1.117 903 T CA -1.087 60.916 62.100 -0.161 0.000 1.006 903 T CB 1.114 69.902 68.868 -0.133 0.000 1.191 903 T HN 0.454 nan 8.240 nan 0.000 0.508 904 N N 1.443 120.051 118.700 -0.154 0.000 3.091 904 N HA 0.317 5.047 4.740 -0.016 0.000 0.301 904 N C -0.833 174.614 175.510 -0.105 0.000 1.325 904 N CA 0.011 52.978 53.050 -0.138 0.000 1.143 904 N CB -0.422 37.981 38.487 -0.141 0.000 1.450 904 N HN 0.498 nan 8.380 nan 0.000 0.542 905 L N -0.240 120.922 121.223 -0.102 0.000 2.333 905 L HA 0.353 4.684 4.340 -0.016 0.000 0.263 905 L C 0.509 177.350 176.870 -0.048 0.000 1.014 905 L CA -0.863 53.923 54.840 -0.090 0.000 0.820 905 L CB 1.766 43.728 42.059 -0.161 0.000 1.352 905 L HN -0.057 nan 8.230 nan 0.000 0.421 906 S N 0.736 116.432 115.700 -0.007 0.000 2.573 906 S HA -0.055 4.406 4.470 -0.016 0.000 0.297 906 S C 0.278 174.877 174.600 -0.001 0.000 1.280 906 S CA -0.036 58.167 58.200 0.005 0.000 1.061 906 S CB 0.559 63.791 63.200 0.052 0.000 0.812 906 S HN 0.582 nan 8.310 nan 0.000 0.500 907 S N 3.419 119.119 115.700 -0.001 0.000 2.546 907 S HA 0.043 4.503 4.470 -0.016 0.000 0.290 907 S C 0.298 174.905 174.600 0.012 0.000 1.262 907 S CA -0.548 57.661 58.200 0.014 0.000 1.083 907 S CB -0.224 62.994 63.200 0.029 0.000 0.859 907 S HN 0.617 nan 8.310 nan 0.000 0.495 908 N N 2.747 121.391 118.700 -0.092 0.000 2.445 908 N HA 0.436 5.167 4.740 -0.016 0.000 0.264 908 N C 0.195 175.695 175.510 -0.018 0.000 1.227 908 N CA -0.147 52.775 53.050 -0.213 0.000 0.963 908 N CB 1.562 39.625 38.487 -0.707 0.000 1.188 908 N HN 0.686 nan 8.380 nan 0.000 0.491 909 T N -1.347 113.329 114.554 0.203 0.000 2.618 909 T HA 0.625 4.965 4.350 -0.016 0.000 0.293 909 T C -1.226 173.785 174.700 0.518 0.000 1.093 909 T CA -0.531 61.811 62.100 0.403 0.000 1.061 909 T CB 0.459 69.533 68.868 0.343 0.000 1.498 909 T HN 0.479 nan 8.240 nan 0.000 0.494 910 A N 1.100 124.245 122.820 0.540 0.000 2.511 910 A HA 0.570 4.880 4.320 -0.016 0.000 0.242 910 A C -0.741 177.279 177.584 0.728 0.000 1.069 910 A CA 0.153 52.602 52.037 0.686 0.000 0.763 910 A CB -0.705 18.717 19.000 0.704 0.000 1.001 910 A HN 0.706 nan 8.150 nan 0.000 0.498 911 F N 2.084 122.349 119.950 0.525 0.000 2.607 911 F HA 0.421 4.939 4.527 -0.015 0.000 0.322 911 F C 0.513 176.519 175.800 0.342 0.000 1.176 911 F CA -1.044 57.220 58.000 0.439 0.000 0.977 911 F CB 1.212 40.327 39.000 0.191 0.000 1.242 911 F HN 0.790 nan 8.300 nan 0.000 0.465 912 R N 4.175 125.109 120.500 0.723 0.000 4.360 912 R HA -0.075 4.255 4.340 -0.016 0.000 0.119 912 R C 0.929 177.435 176.300 0.342 0.000 0.311 912 R CA 1.983 58.369 56.100 0.477 0.000 0.816 912 R CB -0.702 29.899 30.300 0.502 0.000 1.070 912 R HN 1.192 nan 8.270 nan 0.000 0.227 913 G N 3.525 112.501 108.800 0.292 0.000 2.491 913 G HA2 -0.314 3.636 3.960 -0.016 0.000 0.203 913 G HA3 -0.314 3.636 3.960 -0.016 0.000 0.203 913 G C 0.284 175.472 174.900 0.481 0.000 1.052 913 G CA -0.032 45.259 45.100 0.318 0.000 0.675 913 G HN 0.876 nan 8.290 nan 0.000 0.504 914 F N 0.728 120.809 119.950 0.217 0.000 2.985 914 F HA 0.098 4.616 4.527 -0.016 0.000 0.303 914 F C 1.701 177.557 175.800 0.094 0.000 0.976 914 F CA 2.498 60.615 58.000 0.195 0.000 1.013 914 F CB -1.014 38.115 39.000 0.216 0.000 1.060 914 F HN 2.133 nan 8.300 nan 0.000 0.780 915 G N -0.495 108.304 108.800 -0.001 0.000 2.258 915 G HA2 -0.243 3.708 3.960 -0.016 0.000 0.233 915 G HA3 -0.243 3.708 3.960 -0.016 0.000 0.233 915 G C 1.488 176.268 174.900 -0.201 0.000 1.006 915 G CA 0.719 45.721 45.100 -0.164 0.000 0.620 915 G HN 1.549 nan 8.290 nan 0.000 0.511 916 G N 1.634 110.389 108.800 -0.075 0.000 2.414 916 G HA2 0.112 4.063 3.960 -0.016 0.000 0.215 916 G HA3 0.112 4.063 3.960 -0.016 0.000 0.215 916 G C 0.094 174.930 174.900 -0.105 0.000 1.188 916 G CA 1.903 46.907 45.100 -0.161 0.000 0.783 916 G HN 0.525 nan 8.290 nan 0.000 0.537 917 P HA -0.106 nan 4.420 nan 0.000 0.216 917 P C 1.768 179.135 177.300 0.113 0.000 1.150 917 P CA 1.385 64.588 63.100 0.173 0.000 0.843 917 P CB -0.014 31.805 31.700 0.200 0.000 0.787 918 Q N -0.463 119.248 119.800 -0.148 0.000 2.061 918 Q HA -0.125 4.206 4.340 -0.016 0.000 0.204 918 Q C 2.301 178.209 176.000 -0.153 0.000 0.984 918 Q CA 2.143 57.776 55.803 -0.284 0.000 0.846 918 Q CB -1.302 26.831 28.738 -1.008 0.000 0.902 918 Q HN 0.183 nan 8.270 nan 0.000 0.421 919 A N 0.030 122.709 122.820 -0.235 0.000 1.968 919 A HA -0.062 4.249 4.320 -0.016 0.000 0.217 919 A C 2.014 179.560 177.584 -0.063 0.000 1.169 919 A CA 0.881 52.893 52.037 -0.042 0.000 0.638 919 A CB -0.498 18.467 19.000 -0.058 0.000 0.812 919 A HN 0.311 nan 8.150 nan 0.000 0.446 920 L N -2.104 118.964 121.223 -0.259 0.000 2.109 920 L HA -0.074 4.256 4.340 -0.016 0.000 0.207 920 L C 2.393 178.987 176.870 -0.461 0.000 1.086 920 L CA 1.221 55.675 54.840 -0.644 0.000 0.760 920 L CB -0.457 40.671 42.059 -1.553 0.000 0.910 920 L HN 0.515 nan 8.230 nan 0.000 0.437 921 F N 0.864 120.729 119.950 -0.141 0.000 2.146 921 F HA -0.181 4.336 4.527 -0.017 0.000 0.298 921 F C 2.213 178.013 175.800 -0.000 0.000 1.096 921 F CA 1.380 59.496 58.000 0.193 0.000 1.275 921 F CB -0.136 38.986 39.000 0.203 0.000 1.008 921 F HN -0.121 nan 8.300 nan 0.000 0.480 922 I N 0.504 121.047 120.570 -0.045 0.000 2.208 922 I HA -0.341 3.820 4.170 -0.016 0.000 0.245 922 I C 2.733 178.587 176.117 -0.439 0.000 1.097 922 I CA 1.321 62.517 61.300 -0.172 0.000 1.363 922 I CB -0.991 37.060 38.000 0.086 0.000 1.051 922 I HN 0.268 nan 8.210 nan 0.000 0.413 923 A N 0.382 122.942 122.820 -0.434 0.000 1.865 923 A HA -0.216 4.094 4.320 -0.016 0.000 0.217 923 A C 2.242 179.020 177.584 -1.344 0.000 1.191 923 A CA 1.667 53.136 52.037 -0.947 0.000 0.623 923 A CB -0.512 18.235 19.000 -0.422 0.000 0.826 923 A HN 0.355 nan 8.150 nan 0.000 0.444 924 E N -0.206 119.539 120.200 -0.758 0.000 2.153 924 E HA -0.190 4.150 4.350 -0.016 0.000 0.194 924 E C 1.790 177.809 176.600 -0.967 0.000 0.988 924 E CA 1.295 57.196 56.400 -0.831 0.000 0.811 924 E CB -0.506 28.789 29.700 -0.674 0.000 0.746 924 E HN 0.739 nan 8.360 nan 0.000 0.466 925 N N 1.225 119.501 118.700 -0.707 0.000 2.058 925 N HA -0.160 4.571 4.740 -0.016 0.000 0.191 925 N C 1.952 177.230 175.510 -0.386 0.000 1.037 925 N CA 2.016 54.825 53.050 -0.402 0.000 0.848 925 N CB -0.370 37.844 38.487 -0.455 0.000 1.021 925 N HN 0.392 nan 8.380 nan 0.000 0.422 926 W N -0.526 120.495 121.300 -0.465 0.000 2.374 926 W HA -0.088 4.562 4.660 -0.016 0.000 0.288 926 W C 1.709 178.031 176.519 -0.328 0.000 1.218 926 W CA 0.318 57.427 57.345 -0.392 0.000 1.245 926 W CB -0.829 28.378 29.460 -0.421 0.000 1.126 926 W HN 0.155 nan 8.180 nan 0.000 0.545 927 M N 3.370 122.622 119.600 -0.580 0.000 2.213 927 M HA -0.175 4.295 4.480 -0.016 0.000 0.263 927 M C 2.500 178.583 176.300 -0.361 0.000 1.062 927 M CA 2.647 57.638 55.300 -0.515 0.000 1.105 927 M CB -0.753 31.276 32.600 -0.950 0.000 1.385 927 M HN 0.091 nan 8.290 nan 0.000 0.417 928 S N -0.729 114.750 115.700 -0.369 0.000 2.383 928 S HA -0.142 4.318 4.470 -0.016 0.000 0.227 928 S C 1.775 176.302 174.600 -0.121 0.000 1.026 928 S CA 1.445 59.512 58.200 -0.222 0.000 0.981 928 S CB -0.810 62.297 63.200 -0.155 0.000 0.818 928 S HN 0.696 nan 8.310 nan 0.000 0.472 929 E N 0.760 120.901 120.200 -0.099 0.000 2.152 929 E HA -0.012 4.328 4.350 -0.016 0.000 0.192 929 E C 2.120 178.650 176.600 -0.117 0.000 0.983 929 E CA 0.937 57.315 56.400 -0.037 0.000 0.818 929 E CB -0.277 29.461 29.700 0.064 0.000 0.758 929 E HN 0.397 nan 8.360 nan 0.000 0.467 930 V N 1.609 121.354 119.914 -0.281 0.000 2.295 930 V HA -0.292 3.819 4.120 -0.016 0.000 0.246 930 V C 2.384 178.289 176.094 -0.314 0.000 1.049 930 V CA 1.999 63.910 62.300 -0.647 0.000 1.024 930 V CB -0.715 30.673 31.823 -0.726 0.000 0.648 930 V HN 0.311 nan 8.190 nan 0.000 0.447 931 A N -0.389 122.320 122.820 -0.185 0.000 1.902 931 A HA -0.164 4.146 4.320 -0.016 0.000 0.217 931 A C 2.398 179.976 177.584 -0.010 0.000 1.181 931 A CA 2.109 54.101 52.037 -0.074 0.000 0.623 931 A CB -0.718 18.249 19.000 -0.056 0.000 0.818 931 A HN 0.327 nan 8.150 nan 0.000 0.443 932 V N -0.339 119.572 119.914 -0.005 0.000 2.295 932 V HA -0.237 3.874 4.120 -0.016 0.000 0.246 932 V C 2.759 178.898 176.094 0.074 0.000 1.049 932 V CA 2.526 64.851 62.300 0.043 0.000 1.024 932 V CB -1.231 30.620 31.823 0.047 0.000 0.648 932 V HN 0.608 nan 8.190 nan 0.000 0.447 933 T N -1.357 113.252 114.554 0.092 0.000 2.788 933 T HA -0.216 4.125 4.350 -0.016 0.000 0.268 933 T C 1.763 176.578 174.700 0.192 0.000 1.044 933 T CA 1.913 64.122 62.100 0.182 0.000 1.139 933 T CB -0.433 68.640 68.868 0.343 0.000 0.867 933 T HN 0.542 nan 8.240 nan 0.000 0.454 934 C N 0.765 120.170 119.300 0.174 0.000 2.539 934 C HA 0.418 4.868 4.460 -0.016 0.000 0.268 934 C C 2.097 177.149 174.990 0.102 0.000 1.395 934 C CA -0.302 58.812 59.018 0.160 0.000 1.757 934 C CB -1.356 26.472 27.740 0.147 0.000 1.851 934 C HN 0.805 nan 8.230 nan 0.000 0.545 935 G N 1.033 109.885 108.800 0.086 0.000 2.273 935 G HA2 -0.248 3.703 3.960 -0.016 0.000 0.280 935 G HA3 -0.248 3.703 3.960 -0.016 0.000 0.280 935 G C -0.212 174.728 174.900 0.067 0.000 1.047 935 G CA 0.151 45.293 45.100 0.071 0.000 0.869 935 G HN 0.547 nan 8.290 nan 0.000 0.502 936 L N -0.457 120.805 121.223 0.065 0.000 2.319 936 L HA 0.552 4.882 4.340 -0.016 0.000 0.267 936 L C -1.942 174.974 176.870 0.077 0.000 1.011 936 L CA -2.664 52.218 54.840 0.069 0.000 0.818 936 L CB 1.903 44.003 42.059 0.068 0.000 1.316 936 L HN -0.133 nan 8.230 nan 0.000 0.432 937 P HA 0.061 nan 4.420 nan 0.000 0.268 937 P C 0.043 177.420 177.300 0.129 0.000 1.204 937 P CA -0.106 63.072 63.100 0.130 0.000 0.768 937 P CB 0.979 32.782 31.700 0.172 0.000 0.842 938 A N 3.728 126.623 122.820 0.125 0.000 1.902 938 A HA -0.231 4.079 4.320 -0.016 0.000 0.217 938 A C 1.730 179.402 177.584 0.147 0.000 1.181 938 A CA 1.681 53.774 52.037 0.093 0.000 0.623 938 A CB -0.985 18.059 19.000 0.073 0.000 0.818 938 A HN 0.569 nan 8.150 nan 0.000 0.443 939 E N 0.265 120.591 120.200 0.210 0.000 2.160 939 E HA -0.196 4.145 4.350 -0.016 0.000 0.195 939 E C 1.784 178.612 176.600 0.379 0.000 0.991 939 E CA 1.375 57.977 56.400 0.336 0.000 0.810 939 E CB -0.391 29.398 29.700 0.149 0.000 0.742 939 E HN 0.844 nan 8.360 nan 0.000 0.466 940 E N 0.724 121.083 120.200 0.264 0.000 2.072 940 E HA -0.115 4.225 4.350 -0.016 0.000 0.190 940 E C 1.887 178.603 176.600 0.193 0.000 0.982 940 E CA 0.966 57.515 56.400 0.249 0.000 0.803 940 E CB 0.200 30.012 29.700 0.187 0.000 0.755 940 E HN 0.161 nan 8.360 nan 0.000 0.453 941 V N 1.342 121.318 119.914 0.103 0.000 2.358 941 V HA -0.230 3.881 4.120 -0.016 0.000 0.246 941 V C 2.460 178.514 176.094 -0.066 0.000 1.047 941 V CA 1.892 64.193 62.300 0.001 0.000 1.035 941 V CB -0.555 31.233 31.823 -0.059 0.000 0.658 941 V HN 0.235 nan 8.190 nan 0.000 0.452 942 R N -0.902 119.576 120.500 -0.036 0.000 2.080 942 R HA -0.217 4.114 4.340 -0.016 0.000 0.236 942 R C 2.283 178.551 176.300 -0.052 0.000 1.137 942 R CA 2.149 58.199 56.100 -0.084 0.000 0.943 942 R CB -0.524 29.808 30.300 0.053 0.000 0.846 942 R HN 0.711 nan 8.270 nan 0.000 0.431 943 W N 2.776 123.933 121.300 -0.239 0.000 2.335 943 W HA -0.255 4.396 4.660 -0.015 0.000 0.311 943 W C 1.837 178.267 176.519 -0.148 0.000 1.213 943 W CA 1.616 58.781 57.345 -0.300 0.000 1.274 943 W CB -0.152 29.233 29.460 -0.126 0.000 1.148 943 W HN 0.062 nan 8.180 nan 0.000 0.498 944 K N 0.369 120.741 120.400 -0.047 0.000 2.209 944 K HA -0.179 4.132 4.320 -0.016 0.000 0.204 944 K C 1.352 177.833 176.600 -0.197 0.000 1.048 944 K CA 1.572 57.784 56.287 -0.124 0.000 0.940 944 K CB -0.481 32.033 32.500 0.023 0.000 0.729 944 K HN 0.046 nan 8.250 nan 0.000 0.451 945 N N 0.400 118.995 118.700 -0.174 0.000 2.280 945 N HA 0.020 4.751 4.740 -0.016 0.000 0.192 945 N C 0.126 175.566 175.510 -0.117 0.000 1.109 945 N CA 0.014 52.974 53.050 -0.151 0.000 0.855 945 N CB 0.225 38.595 38.487 -0.195 0.000 0.974 945 N HN 0.256 nan 8.380 nan 0.000 0.482 946 M N 0.929 120.416 119.600 -0.188 0.000 2.249 946 M HA 0.006 4.476 4.480 -0.016 0.000 0.340 946 M C -0.272 175.841 176.300 -0.312 0.000 1.166 946 M CA -0.064 55.096 55.300 -0.234 0.000 1.115 946 M CB 0.494 32.859 32.600 -0.392 0.000 1.606 946 M HN 0.037 nan 8.290 nan 0.000 0.448 947 Y N 3.610 123.709 120.300 -0.335 0.000 2.607 947 Y HA -0.018 4.523 4.550 -0.015 0.000 0.348 947 Y C 0.538 176.100 175.900 -0.564 0.000 1.261 947 Y CA 0.289 58.041 58.100 -0.579 0.000 1.480 947 Y CB 0.436 38.239 38.460 -1.095 0.000 1.358 947 Y HN 0.435 nan 8.280 nan 0.000 0.630 948 K N 1.236 121.456 120.400 -0.300 0.000 2.221 948 K HA 0.178 4.488 4.320 -0.016 0.000 0.243 948 K C -0.828 175.611 176.600 -0.269 0.000 0.968 948 K CA -1.247 54.908 56.287 -0.219 0.000 0.846 948 K CB 1.629 34.037 32.500 -0.154 0.000 1.141 948 K HN 0.557 nan 8.250 nan 0.000 0.434 949 E N 0.245 120.396 120.200 -0.083 0.000 2.820 949 E HA -0.028 4.313 4.350 -0.016 0.000 0.251 949 E C 0.799 177.334 176.600 -0.108 0.000 0.944 949 E CA 1.821 58.194 56.400 -0.046 0.000 0.955 949 E CB -0.426 29.287 29.700 0.020 0.000 0.904 949 E HN 0.754 nan 8.360 nan 0.000 0.513 950 G N 3.806 112.524 108.800 -0.137 0.000 2.195 950 G HA2 -0.265 3.685 3.960 -0.016 0.000 0.246 950 G HA3 -0.265 3.685 3.960 -0.016 0.000 0.246 950 G C -0.029 174.771 174.900 -0.167 0.000 0.984 950 G CA 0.014 45.040 45.100 -0.123 0.000 0.633 950 G HN 0.651 nan 8.290 nan 0.000 0.525 951 D N 0.458 120.717 120.400 -0.236 0.000 2.419 951 D HA 0.384 5.014 4.640 -0.016 0.000 0.236 951 D C 1.265 177.382 176.300 -0.305 0.000 1.165 951 D CA 0.208 54.071 54.000 -0.229 0.000 0.882 951 D CB 0.506 41.192 40.800 -0.190 0.000 1.201 951 D HN 0.353 nan 8.370 nan 0.000 0.443 952 L N 1.243 122.330 121.223 -0.226 0.000 2.334 952 L HA 0.254 4.585 4.340 -0.016 0.000 0.277 952 L C 1.381 178.061 176.870 -0.318 0.000 1.075 952 L CA -0.732 53.946 54.840 -0.270 0.000 0.804 952 L CB 1.125 43.086 42.059 -0.164 0.000 1.174 952 L HN 0.442 nan 8.230 nan 0.000 0.438 953 T N -2.743 111.489 114.554 -0.537 0.000 2.698 953 T HA 0.015 4.355 4.350 -0.016 0.000 0.295 953 T C 1.426 175.986 174.700 -0.234 0.000 1.007 953 T CA -0.227 61.577 62.100 -0.493 0.000 0.980 953 T CB 0.400 68.575 68.868 -1.155 0.000 1.036 953 T HN 0.737 nan 8.240 nan 0.000 0.526 954 H N 0.249 119.247 119.070 -0.120 0.000 2.489 954 H HA -0.047 4.500 4.556 -0.016 0.000 0.293 954 H C 1.287 176.683 175.328 0.113 0.000 1.066 954 H CA 1.210 57.283 56.048 0.042 0.000 1.305 954 H CB -0.909 28.947 29.762 0.158 0.000 1.386 954 H HN 0.784 nan 8.280 nan 0.000 0.551 955 F N 0.162 119.920 119.950 -0.319 0.000 2.645 955 F HA 0.399 4.916 4.527 -0.017 0.000 0.300 955 F C 0.087 175.898 175.800 0.018 0.000 1.115 955 F CA -0.799 57.120 58.000 -0.134 0.000 1.355 955 F CB -0.128 38.663 39.000 -0.349 0.000 1.026 955 F HN -0.145 nan 8.300 nan 0.000 0.536 956 N N 1.331 119.895 118.700 -0.227 0.000 2.776 956 N HA -0.258 4.472 4.740 -0.016 0.000 0.250 956 N C -0.182 175.233 175.510 -0.158 0.000 1.112 956 N CA 1.052 54.021 53.050 -0.135 0.000 0.733 956 N CB -1.144 37.346 38.487 0.005 0.000 1.097 956 N HN 0.785 nan 8.380 nan 0.000 0.558 957 Q N 0.526 120.111 119.800 -0.359 0.000 2.257 957 Q HA 0.329 4.659 4.340 -0.016 0.000 0.255 957 Q C 0.079 175.943 176.000 -0.227 0.000 0.920 957 Q CA -0.664 55.028 55.803 -0.186 0.000 0.927 957 Q CB 1.145 29.882 28.738 -0.001 0.000 1.229 957 Q HN 0.220 nan 8.270 nan 0.000 0.433 958 R N 4.188 124.627 120.500 -0.103 0.000 2.442 958 R HA 0.175 4.505 4.340 -0.016 0.000 0.291 958 R C -0.822 175.428 176.300 -0.083 0.000 1.069 958 R CA -0.177 55.852 56.100 -0.120 0.000 1.022 958 R CB 0.334 30.599 30.300 -0.058 0.000 0.976 958 R HN 0.666 nan 8.270 nan 0.000 0.443 959 L N 5.602 126.696 121.223 -0.216 0.000 2.334 959 L HA 0.209 4.539 4.340 -0.016 0.000 0.286 959 L C -0.052 176.819 176.870 0.001 0.000 1.108 959 L CA 0.148 54.894 54.840 -0.156 0.000 0.875 959 L CB 0.599 42.354 42.059 -0.508 0.000 1.246 959 L HN 0.555 nan 8.230 nan 0.000 0.439 960 E N 2.577 122.850 120.200 0.122 0.000 2.156 960 E HA 0.390 4.731 4.350 -0.016 0.000 0.279 960 E C 0.628 177.330 176.600 0.169 0.000 0.965 960 E CA -0.400 56.063 56.400 0.106 0.000 0.789 960 E CB 1.732 31.477 29.700 0.074 0.000 1.098 960 E HN 0.719 nan 8.360 nan 0.000 0.397 961 G N 3.377 112.252 108.800 0.126 0.000 2.289 961 G HA2 -0.302 3.648 3.960 -0.016 0.000 0.280 961 G HA3 -0.302 3.648 3.960 -0.016 0.000 0.280 961 G C -0.387 174.602 174.900 0.148 0.000 1.089 961 G CA -0.278 44.897 45.100 0.124 0.000 0.939 961 G HN 0.511 nan 8.290 nan 0.000 0.499 962 F N 2.354 122.238 119.950 -0.111 0.000 2.468 962 F HA 0.467 4.984 4.527 -0.017 0.000 0.356 962 F C 1.444 176.972 175.800 -0.453 0.000 1.167 962 F CA -0.182 57.569 58.000 -0.414 0.000 1.135 962 F CB 0.640 39.437 39.000 -0.338 0.000 1.197 962 F HN 0.294 nan 8.300 nan 0.000 0.569 963 S N 2.767 117.869 115.700 -0.997 0.000 2.556 963 S HA 0.008 4.468 4.470 -0.016 0.000 0.216 963 S C 1.641 175.905 174.600 -0.559 0.000 0.970 963 S CA 0.364 58.259 58.200 -0.507 0.000 0.912 963 S CB -0.367 62.735 63.200 -0.164 0.000 0.790 963 S HN 0.415 nan 8.310 nan 0.000 0.504 964 V N 3.093 122.348 119.914 -1.099 0.000 2.282 964 V HA -0.113 3.997 4.120 -0.016 0.000 0.249 964 V C -0.348 175.644 176.094 -0.171 0.000 1.057 964 V CA 2.117 64.048 62.300 -0.616 0.000 1.032 964 V CB -1.789 29.548 31.823 -0.810 0.000 0.645 964 V HN 0.391 nan 8.190 nan 0.000 0.447 965 P HA -0.164 nan 4.420 nan 0.000 0.215 965 P C 1.810 179.254 177.300 0.241 0.000 1.157 965 P CA 1.537 64.771 63.100 0.223 0.000 0.874 965 P CB -0.122 31.691 31.700 0.188 0.000 0.790 966 R N -1.007 119.545 120.500 0.088 0.000 2.073 966 R HA -0.133 4.197 4.340 -0.016 0.000 0.234 966 R C 2.322 178.672 176.300 0.084 0.000 1.134 966 R CA 1.827 57.972 56.100 0.076 0.000 0.952 966 R CB -1.265 29.049 30.300 0.023 0.000 0.850 966 R HN 0.238 nan 8.270 nan 0.000 0.433 967 C N -0.536 118.805 119.300 0.069 0.000 2.413 967 C HA -0.167 4.283 4.460 -0.016 0.000 0.276 967 C C 2.388 177.460 174.990 0.138 0.000 1.248 967 C CA 0.199 59.269 59.018 0.087 0.000 1.742 967 C CB -1.174 26.620 27.740 0.090 0.000 2.017 967 C HN 0.664 nan 8.230 nan 0.000 0.481 968 W N 1.784 123.081 121.300 -0.005 0.000 2.354 968 W HA -0.160 4.491 4.660 -0.016 0.000 0.315 968 W C 2.202 178.684 176.519 -0.061 0.000 1.206 968 W CA 2.196 59.538 57.345 -0.006 0.000 1.290 968 W CB -0.750 28.773 29.460 0.105 0.000 1.152 968 W HN 0.413 nan 8.180 nan 0.000 0.489 969 D N 0.064 120.566 120.400 0.169 0.000 2.104 969 D HA -0.293 4.337 4.640 -0.016 0.000 0.194 969 D C 2.096 178.367 176.300 -0.048 0.000 0.994 969 D CA 2.214 56.220 54.000 0.011 0.000 0.830 969 D CB -0.435 40.399 40.800 0.057 0.000 0.959 969 D HN 0.300 nan 8.370 nan 0.000 0.452 970 E N -0.820 119.371 120.200 -0.014 0.000 2.106 970 E HA -0.175 4.165 4.350 -0.016 0.000 0.192 970 E C 1.997 178.553 176.600 -0.073 0.000 0.984 970 E CA 0.916 57.297 56.400 -0.031 0.000 0.806 970 E CB -0.263 29.432 29.700 -0.007 0.000 0.750 970 E HN 0.403 nan 8.360 nan 0.000 0.458 971 C N 0.328 119.562 119.300 -0.109 0.000 2.446 971 C HA -0.003 4.448 4.460 -0.016 0.000 0.277 971 C C 2.570 177.422 174.990 -0.231 0.000 1.275 971 C CA 0.400 59.324 59.018 -0.158 0.000 1.727 971 C CB -1.119 26.515 27.740 -0.177 0.000 2.010 971 C HN 0.503 nan 8.230 nan 0.000 0.486 972 L N 0.638 121.651 121.223 -0.349 0.000 2.042 972 L HA -0.194 4.136 4.340 -0.016 0.000 0.210 972 L C 2.791 179.560 176.870 -0.168 0.000 1.076 972 L CA 1.860 56.470 54.840 -0.385 0.000 0.749 972 L CB -0.564 41.205 42.059 -0.484 0.000 0.893 972 L HN 0.404 nan 8.230 nan 0.000 0.432 973 K N -0.357 119.981 120.400 -0.104 0.000 2.007 973 K HA -0.106 4.205 4.320 -0.016 0.000 0.206 973 K C 2.288 178.866 176.600 -0.036 0.000 1.047 973 K CA 1.697 57.961 56.287 -0.038 0.000 0.937 973 K CB -0.212 32.274 32.500 -0.024 0.000 0.718 973 K HN 0.353 nan 8.250 nan 0.000 0.438 974 S N 0.862 116.532 115.700 -0.050 0.000 2.428 974 S HA -0.088 4.372 4.470 -0.016 0.000 0.230 974 S C 1.994 176.569 174.600 -0.042 0.000 1.014 974 S CA 1.221 59.396 58.200 -0.040 0.000 0.957 974 S CB -0.213 62.963 63.200 -0.041 0.000 0.784 974 S HN 0.269 nan 8.310 nan 0.000 0.499 975 S N 0.751 116.417 115.700 -0.056 0.000 2.558 975 S HA 0.111 4.571 4.470 -0.016 0.000 0.217 975 S C 0.591 175.169 174.600 -0.037 0.000 0.975 975 S CA 0.022 58.194 58.200 -0.048 0.000 0.912 975 S CB -0.768 62.398 63.200 -0.058 0.000 0.776 975 S HN 0.555 nan 8.310 nan 0.000 0.526 976 Q N -0.386 119.396 119.800 -0.029 0.000 2.451 976 Q HA -0.287 4.044 4.340 -0.016 0.000 0.305 976 Q C 0.237 176.218 176.000 -0.032 0.000 1.345 976 Q CA 0.704 56.499 55.803 -0.013 0.000 0.854 976 Q CB -2.334 26.396 28.738 -0.014 0.000 1.162 976 Q HN 0.816 nan 8.270 nan 0.000 0.440 977 Y N -0.459 119.707 120.300 -0.223 0.000 2.114 977 Y HA -0.346 4.201 4.550 -0.005 0.000 0.282 977 Y C 1.596 177.328 175.900 -0.279 0.000 1.165 977 Y CA 2.543 60.444 58.100 -0.332 0.000 1.148 977 Y CB -0.262 37.854 38.460 -0.572 0.000 0.972 977 Y HN 0.412 nan 8.280 nan 0.000 0.504 978 Y N -0.657 119.642 120.300 -0.003 0.000 2.242 978 Y HA -0.150 4.386 4.550 -0.023 0.000 0.291 978 Y C 2.638 178.464 175.900 -0.122 0.000 1.137 978 Y CA 0.857 58.915 58.100 -0.069 0.000 1.181 978 Y CB -0.693 37.789 38.460 0.037 0.000 0.989 978 Y HN 0.241 nan 8.280 nan 0.000 0.527 979 A N 0.369 123.221 122.820 0.053 0.000 1.898 979 A HA -0.150 4.160 4.320 -0.016 0.000 0.216 979 A C 2.185 179.735 177.584 -0.057 0.000 1.181 979 A CA 1.289 53.328 52.037 0.004 0.000 0.620 979 A CB -0.454 18.553 19.000 0.011 0.000 0.819 979 A HN 0.340 nan 8.150 nan 0.000 0.442 980 R N -0.588 119.843 120.500 -0.114 0.000 2.148 980 R HA -0.090 4.241 4.340 -0.016 0.000 0.227 980 R C 2.241 178.423 176.300 -0.196 0.000 1.103 980 R CA 1.409 57.422 56.100 -0.145 0.000 0.983 980 R CB -0.199 30.008 30.300 -0.155 0.000 0.874 980 R HN 0.613 nan 8.270 nan 0.000 0.451 981 K N 0.400 120.617 120.400 -0.305 0.000 2.057 981 K HA -0.134 4.176 4.320 -0.016 0.000 0.207 981 K C 2.163 178.690 176.600 -0.121 0.000 1.049 981 K CA 1.768 57.879 56.287 -0.293 0.000 0.931 981 K CB -0.150 32.112 32.500 -0.398 0.000 0.714 981 K HN -0.004 nan 8.250 nan 0.000 0.440 982 S N 0.343 115.999 115.700 -0.073 0.000 2.399 982 S HA -0.122 4.338 4.470 -0.016 0.000 0.231 982 S C 1.675 176.267 174.600 -0.013 0.000 1.022 982 S CA 1.103 59.288 58.200 -0.025 0.000 0.983 982 S CB -0.265 62.930 63.200 -0.007 0.000 0.803 982 S HN 0.312 nan 8.310 nan 0.000 0.480 983 E N 0.758 120.944 120.200 -0.022 0.000 2.107 983 E HA -0.025 4.316 4.350 -0.016 0.000 0.191 983 E C 2.282 178.904 176.600 0.037 0.000 0.982 983 E CA 0.910 57.313 56.400 0.007 0.000 0.809 983 E CB -0.619 29.075 29.700 -0.009 0.000 0.756 983 E HN 0.452 nan 8.360 nan 0.000 0.459 984 V N 2.200 122.108 119.914 -0.010 0.000 2.295 984 V HA -0.239 3.871 4.120 -0.016 0.000 0.246 984 V C 1.790 177.931 176.094 0.078 0.000 1.049 984 V CA 1.987 64.292 62.300 0.009 0.000 1.024 984 V CB -0.442 31.344 31.823 -0.061 0.000 0.648 984 V HN 0.122 nan 8.190 nan 0.000 0.447 985 D N -0.113 120.308 120.400 0.034 0.000 2.117 985 D HA -0.196 4.434 4.640 -0.016 0.000 0.197 985 D C 2.130 178.459 176.300 0.047 0.000 0.987 985 D CA 1.462 55.484 54.000 0.036 0.000 0.829 985 D CB -0.267 40.541 40.800 0.013 0.000 0.961 985 D HN 0.412 nan 8.370 nan 0.000 0.460 986 K N -0.240 120.189 120.400 0.049 0.000 2.063 986 K HA -0.175 4.135 4.320 -0.016 0.000 0.208 986 K C 2.140 178.772 176.600 0.052 0.000 1.048 986 K CA 0.837 57.147 56.287 0.038 0.000 0.928 986 K CB -0.318 32.203 32.500 0.036 0.000 0.713 986 K HN 0.069 nan 8.250 nan 0.000 0.442 987 F N 1.968 121.902 119.950 -0.027 0.000 2.134 987 F HA -0.199 4.310 4.527 -0.029 0.000 0.299 987 F C 1.701 177.484 175.800 -0.028 0.000 1.097 987 F CA 1.620 59.606 58.000 -0.022 0.000 1.264 987 F CB -0.157 38.832 39.000 -0.019 0.000 1.001 987 F HN 0.141 nan 8.300 nan 0.000 0.479 988 N N 0.562 119.364 118.700 0.170 0.000 2.331 988 N HA -0.112 4.619 4.740 -0.016 0.000 0.180 988 N C 1.607 177.072 175.510 -0.075 0.000 1.019 988 N CA 1.046 54.135 53.050 0.064 0.000 0.881 988 N CB -0.299 38.245 38.487 0.095 0.000 0.972 988 N HN 0.381 nan 8.380 nan 0.000 0.435 989 K N 0.800 121.159 120.400 -0.069 0.000 2.097 989 K HA -0.023 4.288 4.320 -0.016 0.000 0.205 989 K C 1.310 177.828 176.600 -0.137 0.000 1.050 989 K CA 0.926 57.158 56.287 -0.091 0.000 0.938 989 K CB 0.062 32.528 32.500 -0.057 0.000 0.718 989 K HN 0.303 nan 8.250 nan 0.000 0.442 990 E N 0.101 120.188 120.200 -0.188 0.000 2.447 990 E HA 0.056 4.396 4.350 -0.016 0.000 0.195 990 E C -0.138 176.292 176.600 -0.283 0.000 1.028 990 E CA 0.067 56.338 56.400 -0.215 0.000 0.876 990 E CB 0.324 29.898 29.700 -0.209 0.000 0.885 990 E HN 0.221 nan 8.360 nan 0.000 0.500 991 N N -0.219 118.266 118.700 -0.359 0.000 2.258 991 N HA 0.100 4.831 4.740 -0.016 0.000 0.299 991 N C -0.518 174.845 175.510 -0.244 0.000 1.047 991 N CA -0.233 52.606 53.050 -0.351 0.000 0.814 991 N CB 2.096 40.203 38.487 -0.635 0.000 1.413 991 N HN -0.018 nan 8.380 nan 0.000 0.478 992 C N 1.493 120.662 119.300 -0.219 0.000 2.525 992 C HA 0.259 4.709 4.460 -0.016 0.000 0.291 992 C C 1.005 175.737 174.990 -0.429 0.000 1.351 992 C CA -0.194 58.575 59.018 -0.415 0.000 1.771 992 C CB -0.599 26.821 27.740 -0.533 0.000 2.177 992 C HN 0.888 nan 8.230 nan 0.000 0.510 993 W N 1.537 122.898 121.300 0.101 0.000 3.005 993 W HA 0.426 5.088 4.660 0.003 0.000 0.374 993 W C 0.482 177.064 176.519 0.106 0.000 1.076 993 W CA -0.362 57.059 57.345 0.127 0.000 1.794 993 W CB 0.306 29.822 29.460 0.092 0.000 1.113 993 W HN 0.045 nan 8.180 nan 0.000 0.584 994 K N 1.068 121.624 120.400 0.260 0.000 2.469 994 K HA 0.488 4.798 4.320 -0.016 0.000 0.254 994 K C -0.380 176.427 176.600 0.345 0.000 0.939 994 K CA -0.935 55.525 56.287 0.289 0.000 0.812 994 K CB 2.351 35.063 32.500 0.353 0.000 1.301 994 K HN -0.437 nan 8.250 nan 0.000 0.433 995 K N 2.034 122.632 120.400 0.331 0.000 2.527 995 K HA 0.449 4.760 4.320 -0.016 0.000 0.260 995 K C -0.826 175.852 176.600 0.130 0.000 0.937 995 K CA -0.809 55.663 56.287 0.309 0.000 0.826 995 K CB 2.450 35.038 32.500 0.146 0.000 1.359 995 K HN 0.538 nan 8.250 nan 0.000 0.434 996 R N -0.131 120.400 120.500 0.051 0.000 2.720 996 R HA 0.746 5.077 4.340 -0.016 0.000 0.272 996 R C 0.095 176.370 176.300 -0.042 0.000 0.991 996 R CA -0.937 55.086 56.100 -0.129 0.000 1.010 996 R CB 1.786 31.880 30.300 -0.343 0.000 1.141 996 R HN 0.760 nan 8.270 nan 0.000 0.494 997 G N 0.765 109.529 108.800 -0.060 0.000 2.659 997 G HA2 0.584 4.534 3.960 -0.016 0.000 0.296 997 G HA3 0.584 4.534 3.960 -0.016 0.000 0.296 997 G C -2.096 172.782 174.900 -0.036 0.000 1.369 997 G CA -0.454 44.629 45.100 -0.029 0.000 0.937 997 G HN 0.369 nan 8.290 nan 0.000 0.485 998 L N 0.555 121.770 121.223 -0.013 0.000 2.493 998 L HA 0.830 5.160 4.340 -0.016 0.000 0.265 998 L C -1.125 175.796 176.870 0.084 0.000 0.954 998 L CA -0.534 54.302 54.840 -0.006 0.000 0.844 998 L CB 1.816 43.810 42.059 -0.108 0.000 1.302 998 L HN 0.825 nan 8.230 nan 0.000 0.405 999 C N 5.445 124.821 119.300 0.127 0.000 2.880 999 C HA 0.690 5.140 4.460 -0.016 0.000 0.320 999 C C -1.110 173.948 174.990 0.114 0.000 1.176 999 C CA -0.763 58.352 59.018 0.161 0.000 1.390 999 C CB 1.150 28.986 27.740 0.160 0.000 1.846 999 C HN 0.921 nan 8.230 nan 0.000 0.478 1000 I N 6.227 126.810 120.570 0.022 0.000 2.465 1000 I HA 0.674 4.835 4.170 -0.016 0.000 0.291 1000 I C -1.340 174.793 176.117 0.027 0.000 1.014 1000 I CA -0.530 60.676 61.300 -0.155 0.000 1.093 1000 I CB 1.011 38.615 38.000 -0.659 0.000 1.267 1000 I HN 0.509 nan 8.210 nan 0.000 0.431 1001 I N 9.239 129.880 120.570 0.118 0.000 2.533 1001 I HA 0.508 4.669 4.170 -0.016 0.000 0.290 1001 I C -2.550 173.773 176.117 0.343 0.000 1.056 1001 I CA -2.119 59.324 61.300 0.238 0.000 1.057 1001 I CB 2.110 40.167 38.000 0.095 0.000 1.240 1001 I HN 0.351 nan 8.210 nan 0.000 0.423 1002 P HA 0.496 nan 4.420 nan 0.000 0.285 1002 P C -0.757 176.716 177.300 0.288 0.000 1.285 1002 P CA -0.467 62.829 63.100 0.326 0.000 0.854 1002 P CB 2.518 34.334 31.700 0.193 0.000 1.180 1003 T N -1.039 113.681 114.554 0.278 0.000 2.923 1003 T HA 0.523 4.864 4.350 -0.016 0.000 0.311 1003 T C -1.460 173.421 174.700 0.301 0.000 1.183 1003 T CA -0.707 61.579 62.100 0.310 0.000 1.020 1003 T CB 0.997 70.139 68.868 0.457 0.000 1.165 1003 T HN 0.628 nan 8.240 nan 0.000 0.482 1004 K N 2.423 122.996 120.400 0.289 0.000 2.375 1004 K HA 0.773 5.084 4.320 -0.016 0.000 0.249 1004 K C -1.919 174.892 176.600 0.351 0.000 0.942 1004 K CA -0.851 55.605 56.287 0.280 0.000 0.806 1004 K CB 2.043 34.732 32.500 0.315 0.000 1.227 1004 K HN 0.453 nan 8.250 nan 0.000 0.430 1005 F N 1.195 121.213 119.950 0.114 0.000 2.585 1005 F HA 0.418 4.935 4.527 -0.017 0.000 0.319 1005 F C -0.287 175.463 175.800 -0.083 0.000 1.165 1005 F CA -0.288 57.785 58.000 0.121 0.000 0.949 1005 F CB 1.988 40.965 39.000 -0.039 0.000 1.218 1005 F HN 0.809 nan 8.300 nan 0.000 0.453 1006 G N 6.349 114.766 108.800 -0.638 0.000 2.378 1006 G HA2 0.420 4.370 3.960 -0.016 0.000 0.255 1006 G HA3 0.420 4.370 3.960 -0.016 0.000 0.255 1006 G C -0.725 173.415 174.900 -1.266 0.000 1.270 1006 G CA -0.423 43.585 45.100 -1.820 0.000 0.876 1006 G HN 0.494 nan 8.290 nan 0.000 0.521 1007 I N 1.713 121.732 120.570 -0.919 0.000 2.328 1007 I HA 0.501 4.661 4.170 -0.016 0.000 0.287 1007 I C 0.210 176.152 176.117 -0.291 0.000 1.012 1007 I CA -0.130 60.831 61.300 -0.565 0.000 1.195 1007 I CB -0.008 37.418 38.000 -0.957 0.000 1.350 1007 I HN 0.447 nan 8.210 nan 0.000 0.464 1008 S N 4.459 120.070 115.700 -0.148 0.000 2.754 1008 S HA 0.204 4.664 4.470 -0.016 0.000 0.277 1008 S C -0.776 173.747 174.600 -0.129 0.000 0.859 1008 S CA -0.926 57.201 58.200 -0.122 0.000 1.014 1008 S CB 0.192 63.355 63.200 -0.062 0.000 1.276 1008 S HN 0.288 nan 8.310 nan 0.000 0.466 1009 F N 2.207 122.096 119.950 -0.101 0.000 2.529 1009 F HA 0.169 4.687 4.527 -0.016 0.000 0.365 1009 F C 2.292 178.016 175.800 -0.127 0.000 1.102 1009 F CA 0.733 58.662 58.000 -0.119 0.000 1.271 1009 F CB 0.700 39.599 39.000 -0.168 0.000 1.120 1009 F HN 0.782 nan 8.300 nan 0.000 0.579 1010 T N -1.054 113.566 114.554 0.111 0.000 3.072 1010 T HA 0.019 4.359 4.350 -0.016 0.000 0.266 1010 T C 0.451 175.190 174.700 0.065 0.000 1.127 1010 T CA 0.171 62.282 62.100 0.018 0.000 1.107 1010 T CB -0.522 68.460 68.868 0.191 0.000 0.910 1010 T HN 0.183 nan 8.240 nan 0.000 0.513 1011 V N 3.750 123.688 119.914 0.040 0.000 2.368 1011 V HA 0.227 4.337 4.120 -0.016 0.000 0.266 1011 V C -1.282 174.679 176.094 -0.222 0.000 1.045 1011 V CA -1.690 60.531 62.300 -0.133 0.000 0.899 1011 V CB 1.188 32.812 31.823 -0.332 0.000 1.006 1011 V HN 0.159 nan 8.190 nan 0.000 0.470 1012 P HA -0.193 nan 4.420 nan 0.000 0.216 1012 P C 1.559 178.814 177.300 -0.075 0.000 1.153 1012 P CA 1.437 64.497 63.100 -0.067 0.000 0.858 1012 P CB -0.014 31.690 31.700 0.007 0.000 0.789 1013 F N -1.545 118.383 119.950 -0.038 0.000 2.546 1013 F HA 0.019 4.537 4.527 -0.016 0.000 0.298 1013 F C 1.508 177.230 175.800 -0.130 0.000 1.120 1013 F CA 0.770 58.731 58.000 -0.064 0.000 1.456 1013 F CB -1.687 37.287 39.000 -0.045 0.000 1.088 1013 F HN -0.178 nan 8.300 nan 0.000 0.572 1014 L N 0.641 121.588 121.223 -0.460 0.000 2.478 1014 L HA 0.010 4.340 4.340 -0.016 0.000 0.223 1014 L C 0.697 177.358 176.870 -0.348 0.000 1.140 1014 L CA 0.307 54.804 54.840 -0.571 0.000 0.842 1014 L CB -0.663 40.624 42.059 -1.286 0.000 0.953 1014 L HN 0.147 nan 8.230 nan 0.000 0.452 1015 N N 2.499 121.127 118.700 -0.121 0.000 3.254 1015 N HA 0.051 4.782 4.740 -0.016 0.000 0.308 1015 N C -0.400 175.009 175.510 -0.168 0.000 1.281 1015 N CA 0.160 53.188 53.050 -0.035 0.000 1.212 1015 N CB 0.262 38.729 38.487 -0.033 0.000 1.478 1015 N HN 0.529 nan 8.380 nan 0.000 0.548 1016 Q N -0.971 118.712 119.800 -0.196 0.000 2.416 1016 Q HA 0.815 5.146 4.340 -0.016 0.000 0.281 1016 Q C -1.844 173.924 176.000 -0.386 0.000 1.067 1016 Q CA -1.267 54.318 55.803 -0.364 0.000 0.809 1016 Q CB 2.266 30.897 28.738 -0.179 0.000 1.418 1016 Q HN 0.064 nan 8.270 nan 0.000 0.411 1017 A N 0.764 123.211 122.820 -0.622 0.000 2.517 1017 A HA 0.871 5.182 4.320 -0.016 0.000 0.297 1017 A C -0.817 176.645 177.584 -0.203 0.000 1.050 1017 A CA -0.149 51.664 52.037 -0.373 0.000 0.694 1017 A CB 1.900 20.539 19.000 -0.600 0.000 1.277 1017 A HN 0.911 nan 8.150 nan 0.000 0.400 1018 G N -0.127 108.817 108.800 0.240 0.000 2.453 1018 G HA2 0.862 4.813 3.960 -0.016 0.000 0.323 1018 G HA3 0.862 4.813 3.960 -0.016 0.000 0.323 1018 G C -0.430 174.671 174.900 0.334 0.000 1.198 1018 G CA 0.033 45.342 45.100 0.349 0.000 0.959 1018 G HN 1.803 nan 8.290 nan 0.000 0.482 1019 A N 0.014 122.989 122.820 0.258 0.000 2.527 1019 A HA 0.852 5.162 4.320 -0.016 0.000 0.293 1019 A C -1.728 175.921 177.584 0.108 0.000 1.117 1019 A CA -0.670 51.481 52.037 0.191 0.000 0.723 1019 A CB 2.151 21.261 19.000 0.184 0.000 1.313 1019 A HN 1.475 nan 8.150 nan 0.000 0.411 1020 L N 1.071 122.311 121.223 0.028 0.000 2.476 1020 L HA 0.732 5.062 4.340 -0.016 0.000 0.269 1020 L C -1.622 175.128 176.870 -0.200 0.000 0.965 1020 L CA -0.072 54.727 54.840 -0.069 0.000 0.845 1020 L CB 1.297 43.307 42.059 -0.082 0.000 1.259 1020 L HN 0.610 nan 8.230 nan 0.000 0.403 1021 I N 4.751 125.198 120.570 -0.205 0.000 2.465 1021 I HA 0.458 4.618 4.170 -0.016 0.000 0.291 1021 I C -0.903 175.060 176.117 -0.257 0.000 1.014 1021 I CA -0.758 60.418 61.300 -0.206 0.000 1.093 1021 I CB 1.641 39.620 38.000 -0.036 0.000 1.267 1021 I HN 0.552 nan 8.210 nan 0.000 0.431 1022 H N 5.148 124.178 119.070 -0.068 0.000 2.538 1022 H HA 0.486 5.032 4.556 -0.016 0.000 0.353 1022 H C -0.841 174.338 175.328 -0.247 0.000 1.109 1022 H CA -0.797 55.113 56.048 -0.231 0.000 1.192 1022 H CB 2.417 31.891 29.762 -0.480 0.000 1.555 1022 H HN 0.158 nan 8.280 nan 0.000 0.518 1023 V N 4.409 124.272 119.914 -0.085 0.000 2.347 1023 V HA 0.191 4.301 4.120 -0.016 0.000 0.280 1023 V C -0.240 175.753 176.094 -0.169 0.000 1.021 1023 V CA -0.771 61.517 62.300 -0.020 0.000 0.847 1023 V CB 0.001 31.886 31.823 0.104 0.000 0.990 1023 V HN 0.578 nan 8.190 nan 0.000 0.444 1024 Y N 1.980 122.330 120.300 0.082 0.000 2.295 1024 Y HA 0.201 4.741 4.550 -0.016 0.000 0.331 1024 Y C 2.118 177.980 175.900 -0.063 0.000 1.311 1024 Y CA 0.185 58.281 58.100 -0.006 0.000 1.430 1024 Y CB 0.842 39.300 38.460 -0.002 0.000 1.339 1024 Y HN 0.743 nan 8.280 nan 0.000 0.552 1025 T N -3.426 111.136 114.554 0.013 0.000 3.113 1025 T HA -0.141 4.200 4.350 -0.016 0.000 0.263 1025 T C 0.810 175.468 174.700 -0.069 0.000 1.143 1025 T CA 1.031 63.049 62.100 -0.138 0.000 1.090 1025 T CB -0.335 68.313 68.868 -0.368 0.000 0.922 1025 T HN 0.743 nan 8.240 nan 0.000 0.521 1026 D N 0.735 121.140 120.400 0.008 0.000 2.340 1026 D HA 0.188 4.818 4.640 -0.016 0.000 0.220 1026 D C 1.692 178.042 176.300 0.084 0.000 1.039 1026 D CA 0.546 54.559 54.000 0.022 0.000 0.866 1026 D CB -0.671 40.139 40.800 0.017 0.000 0.913 1026 D HN 0.544 nan 8.370 nan 0.000 0.523 1027 G N 0.577 109.446 108.800 0.116 0.000 2.199 1027 G HA2 -0.314 3.636 3.960 -0.016 0.000 0.254 1027 G HA3 -0.314 3.636 3.960 -0.016 0.000 0.254 1027 G C 0.437 175.620 174.900 0.472 0.000 0.982 1027 G CA 0.523 45.799 45.100 0.293 0.000 0.632 1027 G HN 0.861 nan 8.290 nan 0.000 0.529 1028 S N -0.490 115.387 115.700 0.294 0.000 2.572 1028 S HA 0.613 5.073 4.470 -0.016 0.000 0.279 1028 S C 0.067 174.873 174.600 0.342 0.000 1.341 1028 S CA 0.103 58.464 58.200 0.268 0.000 1.043 1028 S CB 2.220 65.523 63.200 0.173 0.000 0.887 1028 S HN 1.170 nan 8.310 nan 0.000 0.516 1029 V N 3.459 123.542 119.914 0.282 0.000 2.487 1029 V HA 0.508 4.618 4.120 -0.016 0.000 0.298 1029 V C -0.553 175.691 176.094 0.249 0.000 1.028 1029 V CA -0.837 61.612 62.300 0.249 0.000 0.860 1029 V CB 1.300 33.234 31.823 0.185 0.000 0.991 1029 V HN 0.889 nan 8.190 nan 0.000 0.427 1030 L N 6.193 127.569 121.223 0.255 0.000 2.287 1030 L HA 0.664 4.995 4.340 -0.016 0.000 0.287 1030 L C -0.438 176.470 176.870 0.064 0.000 1.022 1030 L CA 0.067 55.049 54.840 0.238 0.000 0.814 1030 L CB 1.621 43.929 42.059 0.416 0.000 1.217 1030 L HN 0.466 nan 8.230 nan 0.000 0.420 1031 V N 4.141 124.076 119.914 0.035 0.000 2.427 1031 V HA 0.619 4.730 4.120 -0.016 0.000 0.286 1031 V C 0.044 176.110 176.094 -0.047 0.000 1.034 1031 V CA -0.333 61.961 62.300 -0.010 0.000 0.893 1031 V CB 1.558 33.398 31.823 0.028 0.000 0.982 1031 V HN 0.847 nan 8.190 nan 0.000 0.452 1032 S N 4.527 120.191 115.700 -0.060 0.000 2.521 1032 S HA 0.718 5.178 4.470 -0.016 0.000 0.295 1032 S C -0.874 173.718 174.600 -0.014 0.000 1.098 1032 S CA -0.645 57.497 58.200 -0.097 0.000 0.999 1032 S CB 0.817 63.957 63.200 -0.100 0.000 1.034 1032 S HN 1.027 nan 8.310 nan 0.000 0.483 1033 H N 0.990 120.006 119.070 -0.091 0.000 2.977 1033 H HA 0.477 5.024 4.556 -0.016 0.000 0.350 1033 H C 0.817 176.005 175.328 -0.235 0.000 1.238 1033 H CA -0.490 55.500 56.048 -0.095 0.000 1.124 1033 H CB 1.099 30.818 29.762 -0.073 0.000 1.866 1033 H HN 0.679 nan 8.280 nan 0.000 0.550 1034 G N -0.040 108.620 108.800 -0.233 0.000 2.534 1034 G HA2 0.070 4.020 3.960 -0.016 0.000 0.217 1034 G HA3 0.070 4.020 3.960 -0.016 0.000 0.217 1034 G C 0.751 175.315 174.900 -0.560 0.000 1.128 1034 G CA 0.339 45.300 45.100 -0.233 0.000 0.784 1034 G HN 0.812 nan 8.290 nan 0.000 0.542 1035 G N 0.045 108.172 108.800 -1.121 0.000 2.527 1035 G HA2 0.444 4.394 3.960 -0.016 0.000 0.248 1035 G HA3 0.444 4.394 3.960 -0.016 0.000 0.248 1035 G C 0.123 174.854 174.900 -0.282 0.000 1.231 1035 G CA 0.444 45.193 45.100 -0.585 0.000 0.838 1035 G HN 0.392 nan 8.290 nan 0.000 0.570 1036 T N -1.348 113.108 114.554 -0.164 0.000 2.918 1036 T HA 0.568 4.909 4.350 -0.016 0.000 0.286 1036 T C -0.461 174.083 174.700 -0.260 0.000 1.026 1036 T CA -0.837 61.163 62.100 -0.166 0.000 1.031 1036 T CB 2.309 71.112 68.868 -0.108 0.000 1.046 1036 T HN 0.447 nan 8.240 nan 0.000 0.479 1037 E N 2.036 122.033 120.200 -0.339 0.000 2.146 1037 E HA 0.426 4.766 4.350 -0.016 0.000 0.282 1037 E C 0.351 176.869 176.600 -0.137 0.000 0.989 1037 E CA -0.692 55.515 56.400 -0.322 0.000 0.799 1037 E CB 0.796 30.273 29.700 -0.372 0.000 1.088 1037 E HN 0.779 nan 8.360 nan 0.000 0.397 1038 M N 2.372 121.903 119.600 -0.116 0.000 2.414 1038 M HA 0.494 4.964 4.480 -0.016 0.000 0.357 1038 M C 0.779 177.018 176.300 -0.102 0.000 1.059 1038 M CA 0.137 55.359 55.300 -0.130 0.000 0.959 1038 M CB 0.866 33.333 32.600 -0.222 0.000 1.522 1038 M HN 0.576 nan 8.290 nan 0.000 0.551 1039 G N 1.699 110.503 108.800 0.007 0.000 2.229 1039 G HA2 -0.242 3.709 3.960 -0.016 0.000 0.189 1039 G HA3 -0.242 3.709 3.960 -0.016 0.000 0.189 1039 G C 0.814 175.795 174.900 0.134 0.000 1.000 1039 G CA 0.324 45.464 45.100 0.065 0.000 0.663 1039 G HN 0.589 nan 8.290 nan 0.000 0.493 1040 Q N 1.599 121.438 119.800 0.065 0.000 2.472 1040 Q HA 0.303 4.633 4.340 -0.016 0.000 0.208 1040 Q C 1.600 177.630 176.000 0.050 0.000 0.958 1040 Q CA 1.436 57.273 55.803 0.057 0.000 0.932 1040 Q CB -0.416 28.328 28.738 0.010 0.000 1.007 1040 Q HN 1.927 nan 8.270 nan 0.000 0.508 1041 G N 1.822 110.643 108.800 0.036 0.000 2.160 1041 G HA2 -0.299 3.651 3.960 -0.016 0.000 0.244 1041 G HA3 -0.299 3.651 3.960 -0.016 0.000 0.244 1041 G C 0.352 175.158 174.900 -0.157 0.000 1.022 1041 G CA 0.429 45.422 45.100 -0.180 0.000 0.741 1041 G HN 0.426 nan 8.290 nan 0.000 0.508 1042 L N -0.114 121.022 121.223 -0.145 0.000 2.017 1042 L HA 0.047 4.378 4.340 -0.016 0.000 0.208 1042 L C 2.540 179.369 176.870 -0.068 0.000 1.073 1042 L CA 2.861 57.632 54.840 -0.115 0.000 0.745 1042 L CB -0.483 41.504 42.059 -0.121 0.000 0.894 1042 L HN 0.387 nan 8.230 nan 0.000 0.432 1043 H N -0.662 118.375 119.070 -0.054 0.000 2.353 1043 H HA -0.093 4.454 4.556 -0.016 0.000 0.300 1043 H C 2.161 177.422 175.328 -0.110 0.000 1.090 1043 H CA 1.828 57.852 56.048 -0.041 0.000 1.327 1043 H CB -1.062 28.655 29.762 -0.075 0.000 1.383 1043 H HN 0.366 nan 8.280 nan 0.000 0.508 1044 T N 1.493 116.002 114.554 -0.076 0.000 2.624 1044 T HA -0.186 4.155 4.350 -0.016 0.000 0.268 1044 T C 2.021 176.688 174.700 -0.056 0.000 1.041 1044 T CA 1.887 63.920 62.100 -0.112 0.000 1.159 1044 T CB -0.093 68.640 68.868 -0.224 0.000 0.863 1044 T HN 0.381 nan 8.240 nan 0.000 0.434 1045 K N 0.240 120.608 120.400 -0.053 0.000 2.097 1045 K HA 0.021 4.331 4.320 -0.016 0.000 0.206 1045 K C 2.391 178.985 176.600 -0.011 0.000 1.049 1045 K CA 1.035 57.307 56.287 -0.025 0.000 0.933 1045 K CB -0.152 32.335 32.500 -0.022 0.000 0.717 1045 K HN 0.227 nan 8.250 nan 0.000 0.442 1046 M N 0.386 119.971 119.600 -0.025 0.000 2.175 1046 M HA -0.103 4.368 4.480 -0.016 0.000 0.264 1046 M C 2.231 178.534 176.300 0.005 0.000 1.063 1046 M CA 1.236 56.515 55.300 -0.035 0.000 1.119 1046 M CB -0.610 31.918 32.600 -0.120 0.000 1.377 1046 M HN -0.063 nan 8.290 nan 0.000 0.415 1047 V N 0.291 120.207 119.914 0.003 0.000 2.358 1047 V HA -0.260 3.851 4.120 -0.016 0.000 0.246 1047 V C 2.401 178.495 176.094 -0.000 0.000 1.047 1047 V CA 1.513 63.812 62.300 -0.001 0.000 1.035 1047 V CB -0.710 31.105 31.823 -0.013 0.000 0.658 1047 V HN 0.507 nan 8.190 nan 0.000 0.452 1048 Q N -0.609 119.189 119.800 -0.003 0.000 2.084 1048 Q HA -0.170 4.161 4.340 -0.016 0.000 0.202 1048 Q C 2.371 178.381 176.000 0.017 0.000 0.978 1048 Q CA 1.793 57.590 55.803 -0.010 0.000 0.844 1048 Q CB -0.321 28.406 28.738 -0.018 0.000 0.898 1048 Q HN 0.534 nan 8.270 nan 0.000 0.426 1049 V N 1.006 120.965 119.914 0.074 0.000 2.261 1049 V HA -0.299 3.811 4.120 -0.016 0.000 0.246 1049 V C 2.306 178.511 176.094 0.184 0.000 1.047 1049 V CA 1.927 64.351 62.300 0.207 0.000 1.015 1049 V CB -1.024 30.926 31.823 0.211 0.000 0.642 1049 V HN 0.414 nan 8.190 nan 0.000 0.446 1050 A N -0.355 122.522 122.820 0.095 0.000 1.883 1050 A HA -0.271 4.040 4.320 -0.016 0.000 0.217 1050 A C 2.593 180.184 177.584 0.012 0.000 1.186 1050 A CA 2.478 54.549 52.037 0.057 0.000 0.624 1050 A CB -0.947 18.072 19.000 0.031 0.000 0.822 1050 A HN 0.549 nan 8.150 nan 0.000 0.444 1051 S N -0.299 115.390 115.700 -0.017 0.000 2.359 1051 S HA -0.269 4.191 4.470 -0.016 0.000 0.224 1051 S C 2.134 176.700 174.600 -0.056 0.000 1.035 1051 S CA 2.119 60.279 58.200 -0.067 0.000 1.018 1051 S CB -0.372 62.789 63.200 -0.065 0.000 0.876 1051 S HN 0.614 nan 8.310 nan 0.000 0.448 1052 K N 0.604 120.985 120.400 -0.032 0.000 2.026 1052 K HA -0.048 4.263 4.320 -0.016 0.000 0.208 1052 K C 2.279 178.907 176.600 0.047 0.000 1.048 1052 K CA 1.303 57.558 56.287 -0.053 0.000 0.929 1052 K CB -0.682 31.691 32.500 -0.213 0.000 0.713 1052 K HN 0.436 nan 8.250 nan 0.000 0.439 1053 A N 1.082 123.993 122.820 0.152 0.000 1.883 1053 A HA -0.129 4.182 4.320 -0.016 0.000 0.217 1053 A C 2.050 179.656 177.584 0.038 0.000 1.186 1053 A CA 1.473 53.602 52.037 0.153 0.000 0.624 1053 A CB -0.572 18.490 19.000 0.104 0.000 0.822 1053 A HN 0.359 nan 8.150 nan 0.000 0.444 1054 L N -1.523 119.696 121.223 -0.008 0.000 2.492 1054 L HA 0.032 4.362 4.340 -0.016 0.000 0.223 1054 L C 0.212 177.042 176.870 -0.067 0.000 1.132 1054 L CA 0.297 55.111 54.840 -0.042 0.000 0.850 1054 L CB -0.133 41.826 42.059 -0.166 0.000 0.966 1054 L HN 0.334 nan 8.230 nan 0.000 0.454 1055 K N 1.373 121.741 120.400 -0.054 0.000 3.096 1055 K HA -0.187 4.123 4.320 -0.016 0.000 0.266 1055 K C -0.306 176.220 176.600 -0.124 0.000 1.043 1055 K CA 0.747 57.010 56.287 -0.040 0.000 0.758 1055 K CB -2.048 30.483 32.500 0.051 0.000 1.260 1055 K HN 0.528 nan 8.250 nan 0.000 0.481 1056 I N -4.059 116.364 120.570 -0.245 0.000 3.002 1056 I HA 0.642 4.802 4.170 -0.016 0.000 0.310 1056 I C -2.699 173.288 176.117 -0.216 0.000 1.087 1056 I CA -3.184 57.913 61.300 -0.337 0.000 1.017 1056 I CB 2.263 39.814 38.000 -0.749 0.000 1.226 1056 I HN -0.292 nan 8.210 nan 0.000 0.443 1057 P HA 0.256 nan 4.420 nan 0.000 0.272 1057 P C 1.046 178.288 177.300 -0.097 0.000 1.223 1057 P CA -0.400 62.636 63.100 -0.108 0.000 0.784 1057 P CB 0.663 32.314 31.700 -0.081 0.000 0.923 1058 I N 0.012 120.545 120.570 -0.061 0.000 2.423 1058 I HA -0.258 3.902 4.170 -0.016 0.000 0.254 1058 I C 1.638 177.749 176.117 -0.010 0.000 1.151 1058 I CA 2.057 63.336 61.300 -0.034 0.000 1.421 1058 I CB -1.143 36.845 38.000 -0.021 0.000 1.079 1058 I HN 0.246 nan 8.210 nan 0.000 0.431 1059 S N 1.173 116.865 115.700 -0.013 0.000 2.465 1059 S HA -0.138 4.323 4.470 -0.016 0.000 0.241 1059 S C 1.777 176.384 174.600 0.011 0.000 1.000 1059 S CA 1.009 59.213 58.200 0.005 0.000 0.964 1059 S CB -0.554 62.643 63.200 -0.006 0.000 0.763 1059 S HN 0.632 nan 8.310 nan 0.000 0.512 1060 K N 0.139 120.530 120.400 -0.014 0.000 2.393 1060 K HA 0.357 4.667 4.320 -0.016 0.000 0.193 1060 K C -0.037 176.592 176.600 0.049 0.000 1.026 1060 K CA 0.179 56.466 56.287 -0.001 0.000 1.064 1060 K CB 0.139 32.587 32.500 -0.086 0.000 0.833 1060 K HN 0.452 nan 8.250 nan 0.000 0.521 1061 I N 0.238 120.840 120.570 0.054 0.000 2.493 1061 I HA 0.252 4.413 4.170 -0.016 0.000 0.298 1061 I C -0.970 175.256 176.117 0.181 0.000 0.998 1061 I CA -1.202 60.153 61.300 0.092 0.000 1.137 1061 I CB 1.220 39.239 38.000 0.032 0.000 1.310 1061 I HN -0.140 nan 8.210 nan 0.000 0.445 1062 Y N 5.716 126.029 120.300 0.022 0.000 2.504 1062 Y HA 0.661 5.202 4.550 -0.016 0.000 0.344 1062 Y C -1.311 174.576 175.900 -0.020 0.000 1.023 1062 Y CA -0.891 57.211 58.100 0.003 0.000 1.020 1062 Y CB 1.654 40.123 38.460 0.014 0.000 1.282 1062 Y HN 0.341 nan 8.280 nan 0.000 0.454 1063 I N 3.996 124.205 120.570 -0.602 0.000 2.436 1063 I HA 0.282 4.443 4.170 -0.016 0.000 0.289 1063 I C 0.370 175.985 176.117 -0.837 0.000 1.010 1063 I CA -0.306 60.660 61.300 -0.557 0.000 1.098 1063 I CB 2.178 39.839 38.000 -0.564 0.000 1.266 1063 I HN 0.700 nan 8.210 nan 0.000 0.434 1064 S N 4.800 120.233 115.700 -0.445 0.000 2.460 1064 S HA 0.183 4.643 4.470 -0.016 0.000 0.226 1064 S C 0.260 174.740 174.600 -0.199 0.000 1.057 1064 S CA 0.572 58.634 58.200 -0.229 0.000 0.948 1064 S CB 0.244 63.497 63.200 0.088 0.000 0.822 1064 S HN 0.820 nan 8.310 nan 0.000 0.512 1065 E N -1.252 118.814 120.200 -0.222 0.000 2.429 1065 E HA 0.308 4.648 4.350 -0.016 0.000 0.277 1065 E C -1.719 174.776 176.600 -0.175 0.000 1.130 1065 E CA -1.000 55.318 56.400 -0.136 0.000 0.875 1065 E CB 0.521 30.201 29.700 -0.033 0.000 1.443 1065 E HN -0.018 nan 8.360 nan 0.000 0.444 1066 T N 1.202 115.688 114.554 -0.114 0.000 2.797 1066 T HA 0.659 4.999 4.350 -0.016 0.000 0.279 1066 T C -0.865 173.777 174.700 -0.097 0.000 0.991 1066 T CA -0.516 61.493 62.100 -0.151 0.000 0.979 1066 T CB 1.150 69.928 68.868 -0.149 0.000 0.943 1066 T HN 0.581 nan 8.240 nan 0.000 0.444 1067 S N 0.282 115.928 115.700 -0.091 0.000 2.541 1067 S HA 0.431 4.891 4.470 -0.016 0.000 0.271 1067 S C 1.028 175.596 174.600 -0.053 0.000 1.133 1067 S CA -0.757 57.403 58.200 -0.066 0.000 0.876 1067 S CB 1.416 64.587 63.200 -0.048 0.000 1.105 1067 S HN 0.708 nan 8.310 nan 0.000 0.470 1068 T N -1.131 113.391 114.554 -0.053 0.000 3.072 1068 T HA -0.072 4.268 4.350 -0.016 0.000 0.266 1068 T C 1.099 175.787 174.700 -0.020 0.000 1.127 1068 T CA 1.162 63.240 62.100 -0.037 0.000 1.107 1068 T CB -0.733 68.108 68.868 -0.045 0.000 0.910 1068 T HN 0.731 nan 8.240 nan 0.000 0.513 1069 N N 1.487 120.176 118.700 -0.019 0.000 2.336 1069 N HA -0.002 4.728 4.740 -0.016 0.000 0.189 1069 N C 1.325 176.846 175.510 0.019 0.000 1.113 1069 N CA 0.837 53.886 53.050 -0.002 0.000 0.858 1069 N CB -0.311 38.174 38.487 -0.004 0.000 0.970 1069 N HN 0.643 nan 8.380 nan 0.000 0.471 1070 T N -3.038 111.525 114.554 0.015 0.000 3.071 1070 T HA 0.267 4.607 4.350 -0.016 0.000 0.239 1070 T C 0.480 175.198 174.700 0.030 0.000 0.997 1070 T CA 0.062 62.181 62.100 0.031 0.000 1.134 1070 T CB -0.133 68.745 68.868 0.016 0.000 0.928 1070 T HN -0.104 nan 8.240 nan 0.000 0.453 1071 V N 4.750 124.676 119.914 0.020 0.000 2.409 1071 V HA 0.532 4.642 4.120 -0.016 0.000 0.290 1071 V C -2.530 173.593 176.094 0.048 0.000 1.017 1071 V CA -1.964 60.367 62.300 0.053 0.000 0.841 1071 V CB 1.852 33.717 31.823 0.070 0.000 1.003 1071 V HN 0.368 nan 8.190 nan 0.000 0.426 1072 P HA 0.423 nan 4.420 nan 0.000 0.283 1072 P C -0.326 177.012 177.300 0.063 0.000 1.278 1072 P CA -0.476 62.648 63.100 0.039 0.000 0.834 1072 P CB 0.753 32.468 31.700 0.025 0.000 1.150 1073 N N -2.040 116.682 118.700 0.036 0.000 2.721 1073 N HA -0.135 4.595 4.740 -0.016 0.000 0.249 1073 N C -0.165 175.391 175.510 0.075 0.000 1.072 1073 N CA 1.018 54.093 53.050 0.042 0.000 0.710 1073 N CB -2.403 36.112 38.487 0.045 0.000 0.993 1073 N HN 0.622 nan 8.380 nan 0.000 0.547 1074 S N -1.651 114.094 115.700 0.076 0.000 2.564 1074 S HA 0.438 4.898 4.470 -0.016 0.000 0.278 1074 S C 0.715 175.356 174.600 0.069 0.000 1.333 1074 S CA -0.633 57.638 58.200 0.118 0.000 1.048 1074 S CB 1.661 64.933 63.200 0.121 0.000 0.900 1074 S HN 0.198 nan 8.310 nan 0.000 0.505 1075 S N 4.001 119.743 115.700 0.070 0.000 2.584 1075 S HA 0.304 4.765 4.470 -0.016 0.000 0.270 1075 S C -2.004 172.628 174.600 0.053 0.000 1.346 1075 S CA -0.799 57.374 58.200 -0.045 0.000 1.018 1075 S CB -0.206 62.861 63.200 -0.223 0.000 0.899 1075 S HN 0.726 nan 8.310 nan 0.000 0.542 1076 P HA 0.039 nan 4.420 nan 0.000 0.267 1076 P C -0.693 176.741 177.300 0.225 0.000 1.200 1076 P CA -0.108 63.048 63.100 0.094 0.000 0.772 1076 P CB 0.012 31.765 31.700 0.088 0.000 0.855 1077 T N 1.930 116.582 114.554 0.163 0.000 2.848 1077 T HA 0.476 4.816 4.350 -0.016 0.000 0.283 1077 T C 0.282 175.069 174.700 0.145 0.000 0.919 1077 T CA 0.364 62.575 62.100 0.186 0.000 1.071 1077 T CB -0.531 68.381 68.868 0.074 0.000 0.912 1077 T HN 0.618 nan 8.240 nan 0.000 0.570 1078 A N 2.304 125.232 122.820 0.180 0.000 2.536 1078 A HA 0.836 5.147 4.320 -0.016 0.000 0.293 1078 A C 0.506 177.904 177.584 -0.310 0.000 1.119 1078 A CA -0.308 51.747 52.037 0.030 0.000 0.654 1078 A CB 0.178 19.277 19.000 0.165 0.000 1.291 1078 A HN 1.556 nan 8.150 nan 0.000 0.439 1079 A N -0.733 121.823 122.820 -0.440 0.000 2.899 1079 A HA 0.058 4.368 4.320 -0.016 0.000 0.257 1079 A C 1.233 178.622 177.584 -0.326 0.000 1.335 1079 A CA 1.739 53.416 52.037 -0.599 0.000 0.924 1079 A CB -2.522 15.614 19.000 -1.440 0.000 1.105 1079 A HN 2.512 nan 8.150 nan 0.000 0.765 1080 S N -4.233 111.358 115.700 -0.181 0.000 3.143 1080 S HA -0.357 4.103 4.470 -0.016 0.000 0.291 1080 S C 1.123 175.668 174.600 -0.093 0.000 1.294 1080 S CA 2.053 60.191 58.200 -0.103 0.000 1.115 1080 S CB -2.383 60.764 63.200 -0.089 0.000 1.318 1080 S HN 2.323 nan 8.310 nan 0.000 0.685 1081 V N -2.100 117.723 119.914 -0.153 0.000 3.596 1081 V HA 0.308 4.419 4.120 -0.016 0.000 0.289 1081 V C 1.563 177.636 176.094 -0.036 0.000 1.336 1081 V CA 0.840 63.077 62.300 -0.104 0.000 1.137 1081 V CB 0.365 32.082 31.823 -0.176 0.000 0.966 1081 V HN 0.363 nan 8.190 nan 0.000 0.428 1082 S N 1.542 117.265 115.700 0.038 0.000 2.368 1082 S HA -0.160 4.300 4.470 -0.016 0.000 0.224 1082 S C 1.988 176.680 174.600 0.154 0.000 1.029 1082 S CA 2.125 60.442 58.200 0.194 0.000 0.988 1082 S CB -0.472 62.909 63.200 0.302 0.000 0.838 1082 S HN 0.754 nan 8.310 nan 0.000 0.462 1083 T N 2.410 117.003 114.554 0.066 0.000 2.684 1083 T HA -0.129 4.212 4.350 -0.016 0.000 0.267 1083 T C 1.396 176.077 174.700 -0.030 0.000 1.036 1083 T CA 1.659 63.770 62.100 0.019 0.000 1.148 1083 T CB -0.642 68.234 68.868 0.012 0.000 0.863 1083 T HN 0.313 nan 8.240 nan 0.000 0.436 1084 D N 1.218 121.599 120.400 -0.033 0.000 2.092 1084 D HA -0.085 4.545 4.640 -0.016 0.000 0.193 1084 D C 2.137 178.313 176.300 -0.207 0.000 0.994 1084 D CA 1.281 55.233 54.000 -0.081 0.000 0.828 1084 D CB -0.374 40.439 40.800 0.022 0.000 0.963 1084 D HN 0.592 nan 8.370 nan 0.000 0.450 1085 I N -2.805 117.648 120.570 -0.194 0.000 2.494 1085 I HA -0.072 4.088 4.170 -0.016 0.000 0.250 1085 I C 1.803 177.712 176.117 -0.347 0.000 1.112 1085 I CA 0.642 61.790 61.300 -0.253 0.000 1.438 1085 I CB -0.678 37.189 38.000 -0.223 0.000 1.111 1085 I HN -0.063 nan 8.210 nan 0.000 0.431 1086 Y N 2.499 122.767 120.300 -0.054 0.000 2.293 1086 Y HA 0.025 4.566 4.550 -0.016 0.000 0.291 1086 Y C 2.826 178.639 175.900 -0.145 0.000 1.137 1086 Y CA 1.120 59.165 58.100 -0.092 0.000 1.202 1086 Y CB -0.790 37.578 38.460 -0.153 0.000 0.990 1086 Y HN 0.230 nan 8.280 nan 0.000 0.537 1087 G N -0.072 108.693 108.800 -0.058 0.000 2.446 1087 G HA2 -0.243 3.708 3.960 -0.016 0.000 0.217 1087 G HA3 -0.243 3.708 3.960 -0.016 0.000 0.217 1087 G C 1.534 176.352 174.900 -0.138 0.000 1.168 1087 G CA 0.872 45.915 45.100 -0.095 0.000 0.771 1087 G HN 0.268 nan 8.290 nan 0.000 0.551 1088 Q N 0.493 120.112 119.800 -0.302 0.000 2.084 1088 Q HA -0.053 4.277 4.340 -0.016 0.000 0.202 1088 Q C 3.007 178.973 176.000 -0.056 0.000 0.978 1088 Q CA 1.442 57.039 55.803 -0.343 0.000 0.844 1088 Q CB -0.668 27.491 28.738 -0.965 0.000 0.898 1088 Q HN 0.462 nan 8.270 nan 0.000 0.426 1089 A N 0.565 123.381 122.820 -0.006 0.000 1.902 1089 A HA -0.123 4.187 4.320 -0.016 0.000 0.217 1089 A C 2.467 180.122 177.584 0.119 0.000 1.181 1089 A CA 1.529 53.630 52.037 0.105 0.000 0.623 1089 A CB -0.672 18.414 19.000 0.144 0.000 0.818 1089 A HN 0.203 nan 8.150 nan 0.000 0.443 1090 V N -1.547 118.426 119.914 0.099 0.000 2.307 1090 V HA -0.257 3.854 4.120 -0.016 0.000 0.245 1090 V C 2.316 178.462 176.094 0.087 0.000 1.045 1090 V CA 2.022 64.374 62.300 0.088 0.000 1.024 1090 V CB -0.976 30.882 31.823 0.060 0.000 0.651 1090 V HN 0.712 nan 8.190 nan 0.000 0.449 1091 Y N 1.259 121.541 120.300 -0.030 0.000 2.128 1091 Y HA -0.259 4.282 4.550 -0.016 0.000 0.284 1091 Y C 2.642 178.539 175.900 -0.005 0.000 1.154 1091 Y CA 2.129 60.204 58.100 -0.042 0.000 1.149 1091 Y CB -0.082 38.285 38.460 -0.156 0.000 0.976 1091 Y HN 0.230 nan 8.280 nan 0.000 0.505 1092 E N 0.308 120.580 120.200 0.119 0.000 2.077 1092 E HA -0.206 4.134 4.350 -0.016 0.000 0.193 1092 E C 2.423 179.027 176.600 0.007 0.000 0.989 1092 E CA 1.155 57.594 56.400 0.066 0.000 0.800 1092 E CB -0.820 28.972 29.700 0.153 0.000 0.746 1092 E HN 0.591 nan 8.360 nan 0.000 0.452 1093 A N 0.697 123.539 122.820 0.036 0.000 1.902 1093 A HA -0.202 4.109 4.320 -0.016 0.000 0.217 1093 A C 2.645 180.229 177.584 0.000 0.000 1.181 1093 A CA 1.522 53.579 52.037 0.033 0.000 0.623 1093 A CB -0.937 18.093 19.000 0.050 0.000 0.818 1093 A HN 0.355 nan 8.150 nan 0.000 0.443 1094 C N -0.864 118.411 119.300 -0.042 0.000 2.429 1094 C HA -0.094 4.356 4.460 -0.016 0.000 0.277 1094 C C 2.881 177.813 174.990 -0.098 0.000 1.262 1094 C CA 1.118 60.102 59.018 -0.056 0.000 1.733 1094 C CB -1.044 26.641 27.740 -0.092 0.000 2.010 1094 C HN 0.599 nan 8.230 nan 0.000 0.483 1095 Q N 0.397 120.070 119.800 -0.211 0.000 2.124 1095 Q HA -0.132 4.198 4.340 -0.016 0.000 0.202 1095 Q C 2.220 178.189 176.000 -0.050 0.000 0.977 1095 Q CA 1.910 57.611 55.803 -0.171 0.000 0.850 1095 Q CB -1.137 27.473 28.738 -0.214 0.000 0.901 1095 Q HN 0.654 nan 8.270 nan 0.000 0.429 1096 T N 1.609 116.151 114.554 -0.019 0.000 2.708 1096 T HA -0.074 4.266 4.350 -0.016 0.000 0.266 1096 T C 2.076 176.795 174.700 0.030 0.000 1.037 1096 T CA 0.989 63.098 62.100 0.014 0.000 1.146 1096 T CB -0.252 68.633 68.868 0.028 0.000 0.865 1096 T HN 0.174 nan 8.240 nan 0.000 0.435 1097 I N 0.856 121.453 120.570 0.046 0.000 2.127 1097 I HA -0.187 3.973 4.170 -0.016 0.000 0.241 1097 I C 2.352 178.522 176.117 0.088 0.000 1.075 1097 I CA 1.302 62.650 61.300 0.080 0.000 1.334 1097 I CB -0.464 37.615 38.000 0.132 0.000 1.040 1097 I HN 0.197 nan 8.210 nan 0.000 0.405 1098 L N 0.326 121.600 121.223 0.085 0.000 2.013 1098 L HA -0.263 4.068 4.340 -0.016 0.000 0.212 1098 L C 2.706 179.593 176.870 0.027 0.000 1.073 1098 L CA 1.374 56.258 54.840 0.072 0.000 0.753 1098 L CB -0.754 41.330 42.059 0.042 0.000 0.890 1098 L HN 0.243 nan 8.230 nan 0.000 0.432 1099 K N 0.297 120.706 120.400 0.015 0.000 2.063 1099 K HA -0.154 4.156 4.320 -0.016 0.000 0.208 1099 K C 2.099 178.709 176.600 0.017 0.000 1.048 1099 K CA 1.389 57.678 56.287 0.004 0.000 0.928 1099 K CB -0.415 32.087 32.500 0.004 0.000 0.713 1099 K HN 0.386 nan 8.250 nan 0.000 0.442 1100 R N 0.504 121.031 120.500 0.044 0.000 2.115 1100 R HA 0.058 4.389 4.340 -0.016 0.000 0.230 1100 R C 2.339 178.738 176.300 0.165 0.000 1.111 1100 R CA 0.666 56.818 56.100 0.085 0.000 0.976 1100 R CB -0.205 30.141 30.300 0.078 0.000 0.870 1100 R HN 0.124 nan 8.270 nan 0.000 0.445 1101 L N 0.230 121.522 121.223 0.115 0.000 2.418 1101 L HA -0.027 4.304 4.340 -0.016 0.000 0.218 1101 L C 2.222 179.127 176.870 0.058 0.000 1.125 1101 L CA 0.367 55.303 54.840 0.159 0.000 0.835 1101 L CB -0.142 41.929 42.059 0.020 0.000 0.953 1101 L HN 0.105 nan 8.230 nan 0.000 0.454 1102 E N 1.389 121.563 120.200 -0.044 0.000 2.097 1102 E HA -0.199 4.142 4.350 -0.016 0.000 0.196 1102 E C -0.663 175.800 176.600 -0.228 0.000 1.000 1102 E CA 1.680 57.989 56.400 -0.152 0.000 0.804 1102 E CB -0.901 28.735 29.700 -0.107 0.000 0.740 1102 E HN 0.232 nan 8.360 nan 0.000 0.454 1103 P HA -0.118 nan 4.420 nan 0.000 0.218 1103 P C 0.710 177.665 177.300 -0.574 0.000 1.148 1103 P CA 1.292 64.105 63.100 -0.477 0.000 0.822 1103 P CB -0.127 31.161 31.700 -0.687 0.000 0.784 1104 F N -0.203 119.647 119.950 -0.166 0.000 2.293 1104 F HA 0.028 4.545 4.527 -0.016 0.000 0.297 1104 F C 2.159 177.780 175.800 -0.299 0.000 1.089 1104 F CA 0.957 58.871 58.000 -0.143 0.000 1.377 1104 F CB -0.765 38.195 39.000 -0.067 0.000 1.051 1104 F HN -0.205 nan 8.300 nan 0.000 0.511 1105 K N 0.706 120.788 120.400 -0.530 0.000 2.057 1105 K HA -0.155 4.156 4.320 -0.016 0.000 0.206 1105 K C 1.976 178.391 176.600 -0.307 0.000 1.050 1105 K CA 1.227 56.989 56.287 -0.877 0.000 0.935 1105 K CB -0.228 31.642 32.500 -1.050 0.000 0.715 1105 K HN 0.196 nan 8.250 nan 0.000 0.439 1106 K N 1.244 121.500 120.400 -0.240 0.000 2.032 1106 K HA -0.165 4.145 4.320 -0.016 0.000 0.209 1106 K C 2.013 178.571 176.600 -0.071 0.000 1.048 1106 K CA 1.571 57.776 56.287 -0.137 0.000 0.927 1106 K CB 0.019 32.428 32.500 -0.151 0.000 0.712 1106 K HN 0.062 nan 8.250 nan 0.000 0.441 1107 K N -0.025 120.334 120.400 -0.069 0.000 2.155 1107 K HA -0.085 4.225 4.320 -0.016 0.000 0.203 1107 K C 0.785 177.431 176.600 0.076 0.000 1.052 1107 K CA 0.833 57.118 56.287 -0.003 0.000 0.948 1107 K CB 0.053 32.550 32.500 -0.004 0.000 0.728 1107 K HN -0.019 nan 8.250 nan 0.000 0.448 1108 N N -0.014 118.773 118.700 0.146 0.000 2.765 1108 N HA 0.125 4.856 4.740 -0.016 0.000 0.277 1108 N C -2.383 173.365 175.510 0.397 0.000 1.750 1108 N CA -1.968 51.241 53.050 0.265 0.000 0.827 1108 N CB 0.955 39.648 38.487 0.343 0.000 1.200 1108 N HN -0.157 nan 8.380 nan 0.000 0.494 1109 P HA 0.024 nan 4.420 nan 0.000 0.226 1109 P C -0.151 177.358 177.300 0.349 0.000 1.153 1109 P CA 1.020 64.279 63.100 0.266 0.000 0.777 1109 P CB 0.507 32.283 31.700 0.126 0.000 0.794 1110 D N -0.561 119.992 120.400 0.256 0.000 2.363 1110 D HA 0.132 4.762 4.640 -0.016 0.000 0.214 1110 D C 1.322 177.691 176.300 0.114 0.000 1.093 1110 D CA 0.152 54.256 54.000 0.173 0.000 0.837 1110 D CB 0.348 41.211 40.800 0.105 0.000 0.948 1110 D HN 0.111 nan 8.370 nan 0.000 0.507 1111 G N 0.728 109.625 108.800 0.161 0.000 2.588 1111 G HA2 0.343 4.293 3.960 -0.016 0.000 0.281 1111 G HA3 0.343 4.293 3.960 -0.016 0.000 0.281 1111 G C 0.318 174.905 174.900 -0.523 0.000 1.236 1111 G CA -0.284 44.761 45.100 -0.093 0.000 0.969 1111 G HN 0.143 nan 8.290 nan 0.000 0.504 1112 S N -1.048 114.274 115.700 -0.630 0.000 2.687 1112 S HA 0.169 4.630 4.470 -0.016 0.000 0.283 1112 S C 1.104 175.067 174.600 -1.062 0.000 1.170 1112 S CA -0.538 57.257 58.200 -0.676 0.000 1.008 1112 S CB 1.222 64.248 63.200 -0.289 0.000 1.026 1112 S HN 0.799 nan 8.310 nan 0.000 0.541 1113 W N 1.635 122.433 121.300 -0.836 0.000 2.304 1113 W HA -0.262 4.389 4.660 -0.016 0.000 0.315 1113 W C 1.173 177.569 176.519 -0.204 0.000 1.233 1113 W CA 2.477 59.589 57.345 -0.388 0.000 1.261 1113 W CB -0.521 28.869 29.460 -0.117 0.000 1.150 1113 W HN 0.859 nan 8.180 nan 0.000 0.494 1114 E N 0.690 120.807 120.200 -0.138 0.000 2.110 1114 E HA -0.210 4.130 4.350 -0.016 0.000 0.193 1114 E C 1.647 178.124 176.600 -0.206 0.000 0.988 1114 E CA 1.944 58.248 56.400 -0.161 0.000 0.804 1114 E CB -0.741 28.934 29.700 -0.042 0.000 0.745 1114 E HN 0.196 nan 8.360 nan 0.000 0.458 1115 D N -0.509 119.744 120.400 -0.245 0.000 2.097 1115 D HA -0.163 4.467 4.640 -0.016 0.000 0.195 1115 D C 1.626 177.894 176.300 -0.053 0.000 0.989 1115 D CA 0.852 54.754 54.000 -0.164 0.000 0.827 1115 D CB -0.260 40.416 40.800 -0.206 0.000 0.966 1115 D HN 0.276 nan 8.370 nan 0.000 0.456 1116 W N 1.080 122.298 121.300 -0.136 0.000 2.355 1116 W HA -0.074 4.577 4.660 -0.016 0.000 0.309 1116 W C 2.407 178.705 176.519 -0.367 0.000 1.206 1116 W CA 0.138 57.379 57.345 -0.175 0.000 1.284 1116 W CB -1.343 28.031 29.460 -0.143 0.000 1.145 1116 W HN -0.129 nan 8.180 nan 0.000 0.502 1117 V N 0.661 120.416 119.914 -0.265 0.000 2.295 1117 V HA -0.340 3.771 4.120 -0.016 0.000 0.246 1117 V C 2.286 178.247 176.094 -0.222 0.000 1.049 1117 V CA 2.288 64.370 62.300 -0.363 0.000 1.024 1117 V CB -0.968 30.555 31.823 -0.501 0.000 0.648 1117 V HN 0.049 nan 8.190 nan 0.000 0.447 1118 M N 0.745 120.253 119.600 -0.152 0.000 2.117 1118 M HA -0.075 4.395 4.480 -0.016 0.000 0.262 1118 M C 2.033 178.294 176.300 -0.065 0.000 1.065 1118 M CA 2.145 57.411 55.300 -0.056 0.000 1.114 1118 M CB -0.792 31.785 32.600 -0.038 0.000 1.361 1118 M HN 0.265 nan 8.290 nan 0.000 0.408 1119 A N -0.432 122.303 122.820 -0.142 0.000 1.933 1119 A HA 0.063 4.373 4.320 -0.016 0.000 0.218 1119 A C 2.360 179.595 177.584 -0.581 0.000 1.175 1119 A CA 1.961 53.877 52.037 -0.201 0.000 0.628 1119 A CB -1.377 17.607 19.000 -0.026 0.000 0.814 1119 A HN 0.622 nan 8.150 nan 0.000 0.444 1120 A N -1.307 120.938 122.820 -0.957 0.000 1.902 1120 A HA -0.114 4.197 4.320 -0.016 0.000 0.217 1120 A C 2.142 179.483 177.584 -0.405 0.000 1.181 1120 A CA 1.685 53.054 52.037 -1.114 0.000 0.623 1120 A CB -0.877 17.623 19.000 -0.833 0.000 0.818 1120 A HN 0.768 nan 8.150 nan 0.000 0.443 1121 Y N 0.674 120.784 120.300 -0.316 0.000 2.165 1121 Y HA -0.247 4.293 4.550 -0.016 0.000 0.286 1121 Y C 2.338 178.163 175.900 -0.124 0.000 1.155 1121 Y CA 2.372 60.368 58.100 -0.174 0.000 1.164 1121 Y CB -0.427 37.954 38.460 -0.133 0.000 0.978 1121 Y HN 0.439 nan 8.280 nan 0.000 0.513 1122 Q N -0.903 118.741 119.800 -0.260 0.000 2.369 1122 Q HA -0.125 4.206 4.340 -0.016 0.000 0.206 1122 Q C 0.890 176.774 176.000 -0.193 0.000 0.963 1122 Q CA 1.260 56.911 55.803 -0.254 0.000 0.894 1122 Q CB 0.017 28.719 28.738 -0.060 0.000 0.965 1122 Q HN 0.505 nan 8.270 nan 0.000 0.475 1123 D N -0.252 120.055 120.400 -0.155 0.000 2.349 1123 D HA 0.094 4.724 4.640 -0.016 0.000 0.214 1123 D C -0.554 175.711 176.300 -0.059 0.000 1.063 1123 D CA -0.063 53.921 54.000 -0.027 0.000 0.847 1123 D CB 0.312 41.222 40.800 0.184 0.000 0.933 1123 D HN -0.003 nan 8.370 nan 0.000 0.513 1124 R N -0.632 119.761 120.500 -0.178 0.000 3.332 1124 R HA -0.130 4.200 4.340 -0.016 0.000 0.263 1124 R C -1.022 175.241 176.300 -0.062 0.000 1.053 1124 R CA -0.038 55.968 56.100 -0.156 0.000 0.705 1124 R CB -2.198 28.028 30.300 -0.124 0.000 1.166 1124 R HN 0.041 nan 8.270 nan 0.000 0.427 1125 V N 0.855 120.740 119.914 -0.049 0.000 2.394 1125 V HA 0.208 4.318 4.120 -0.016 0.000 0.282 1125 V C 0.884 176.974 176.094 -0.007 0.000 1.031 1125 V CA -0.312 61.994 62.300 0.010 0.000 0.881 1125 V CB 1.845 33.717 31.823 0.082 0.000 0.982 1125 V HN 0.358 nan 8.190 nan 0.000 0.451 1126 S N 4.552 120.259 115.700 0.012 0.000 2.549 1126 S HA 0.282 4.742 4.470 -0.016 0.000 0.283 1126 S C 0.358 174.969 174.600 0.018 0.000 1.320 1126 S CA -0.268 57.942 58.200 0.018 0.000 1.058 1126 S CB 0.107 63.320 63.200 0.022 0.000 0.882 1126 S HN 0.593 nan 8.310 nan 0.000 0.498 1127 L N 4.158 125.389 121.223 0.014 0.000 2.984 1127 L HA 0.349 4.679 4.340 -0.016 0.000 0.246 1127 L C 0.359 177.245 176.870 0.026 0.000 1.268 1127 L CA -0.189 54.653 54.840 0.003 0.000 1.054 1127 L CB 0.422 42.464 42.059 -0.028 0.000 1.393 1127 L HN 0.523 nan 8.230 nan 0.000 0.532 1128 S N -0.558 115.177 115.700 0.059 0.000 2.571 1128 S HA 0.711 5.171 4.470 -0.016 0.000 0.284 1128 S C -0.685 173.974 174.600 0.098 0.000 1.128 1128 S CA -0.292 57.990 58.200 0.138 0.000 0.970 1128 S CB 2.002 65.311 63.200 0.181 0.000 1.039 1128 S HN 0.106 nan 8.310 nan 0.000 0.485 1129 T N 1.931 116.535 114.554 0.082 0.000 2.885 1129 T HA 0.620 4.960 4.350 -0.016 0.000 0.322 1129 T C -0.538 174.192 174.700 0.049 0.000 1.387 1129 T CA -0.307 61.829 62.100 0.061 0.000 1.041 1129 T CB 1.402 70.300 68.868 0.051 0.000 1.287 1129 T HN 0.857 nan 8.240 nan 0.000 0.491 1130 T N 0.645 115.236 114.554 0.061 0.000 2.882 1130 T HA 0.742 5.083 4.350 -0.016 0.000 0.287 1130 T C 0.517 175.279 174.700 0.102 0.000 1.014 1130 T CA -0.343 61.805 62.100 0.080 0.000 1.049 1130 T CB 1.167 70.085 68.868 0.084 0.000 1.001 1130 T HN 0.919 nan 8.240 nan 0.000 0.525 1131 G N 0.028 108.916 108.800 0.147 0.000 2.574 1131 G HA2 0.666 4.617 3.960 -0.016 0.000 0.299 1131 G HA3 0.666 4.617 3.960 -0.016 0.000 0.299 1131 G C -2.078 173.003 174.900 0.302 0.000 1.298 1131 G CA -0.888 44.323 45.100 0.184 0.000 0.952 1131 G HN 0.735 nan 8.290 nan 0.000 0.477 1132 F N 0.539 120.555 119.950 0.110 0.000 2.641 1132 F HA 0.687 5.205 4.527 -0.016 0.000 0.308 1132 F C -1.962 173.939 175.800 0.167 0.000 1.105 1132 F CA -1.086 56.984 58.000 0.117 0.000 0.964 1132 F CB 2.298 41.341 39.000 0.072 0.000 1.294 1132 F HN 0.579 nan 8.300 nan 0.000 0.442 1133 Y N 4.935 124.940 120.300 -0.491 0.000 2.492 1133 Y HA 0.643 5.184 4.550 -0.016 0.000 0.346 1133 Y C -1.508 174.062 175.900 -0.550 0.000 0.997 1133 Y CA -1.073 56.819 58.100 -0.347 0.000 1.025 1133 Y CB 1.533 39.845 38.460 -0.247 0.000 1.263 1133 Y HN 0.719 nan 8.280 nan 0.000 0.454 1134 R N 3.928 123.835 120.500 -0.988 0.000 2.473 1134 R HA 0.435 4.765 4.340 -0.016 0.000 0.303 1134 R C -1.389 174.288 176.300 -1.038 0.000 1.002 1134 R CA -0.459 55.200 56.100 -0.734 0.000 0.884 1134 R CB 1.144 31.289 30.300 -0.259 0.000 1.173 1134 R HN 0.770 nan 8.270 nan 0.000 0.464 1135 T N 7.224 121.260 114.554 -0.864 0.000 2.831 1135 T HA 0.120 4.461 4.350 -0.016 0.000 0.291 1135 T C -2.028 172.444 174.700 -0.381 0.000 0.981 1135 T CA -0.447 61.264 62.100 -0.649 0.000 1.174 1135 T CB 0.561 69.185 68.868 -0.407 0.000 0.929 1135 T HN 0.501 nan 8.240 nan 0.000 0.532 1136 P HA 0.268 nan 4.420 nan 0.000 0.279 1136 P C -0.093 177.202 177.300 -0.008 0.000 1.252 1136 P CA -0.570 62.473 63.100 -0.095 0.000 0.811 1136 P CB 0.516 32.211 31.700 -0.007 0.000 1.035 1137 N N -0.887 117.814 118.700 0.002 0.000 2.754 1137 N HA -0.138 4.592 4.740 -0.016 0.000 0.248 1137 N C -0.706 174.816 175.510 0.020 0.000 1.093 1137 N CA 0.775 53.841 53.050 0.027 0.000 0.699 1137 N CB -1.814 36.710 38.487 0.062 0.000 1.016 1137 N HN 0.469 nan 8.380 nan 0.000 0.552 1138 L N -0.154 121.061 121.223 -0.013 0.000 2.317 1138 L HA 0.722 5.053 4.340 -0.016 0.000 0.281 1138 L C 0.950 177.805 176.870 -0.025 0.000 1.024 1138 L CA -0.460 54.359 54.840 -0.034 0.000 0.810 1138 L CB 1.967 43.986 42.059 -0.067 0.000 1.240 1138 L HN 0.236 nan 8.230 nan 0.000 0.427 1139 G N 2.008 110.793 108.800 -0.024 0.000 2.936 1139 G HA2 -0.019 3.931 3.960 -0.016 0.000 0.227 1139 G HA3 -0.019 3.931 3.960 -0.016 0.000 0.227 1139 G C -1.546 173.367 174.900 0.022 0.000 3.708 1139 G CA -0.723 44.379 45.100 0.004 0.000 0.519 1139 G HN 0.394 nan 8.290 nan 0.000 0.369 1140 Y N 2.198 122.433 120.300 -0.108 0.000 2.309 1140 Y HA 0.693 5.233 4.550 -0.016 0.000 0.327 1140 Y C 0.412 176.288 175.900 -0.040 0.000 1.172 1140 Y CA -0.094 57.938 58.100 -0.112 0.000 1.280 1140 Y CB 1.804 40.129 38.460 -0.225 0.000 1.234 1140 Y HN 0.462 nan 8.280 nan 0.000 0.512 1141 S N 5.579 120.778 115.700 -0.835 0.000 2.449 1141 S HA 0.317 4.777 4.470 -0.016 0.000 0.310 1141 S C 0.174 174.229 174.600 -0.908 0.000 1.096 1141 S CA -0.662 57.199 58.200 -0.565 0.000 1.095 1141 S CB 0.062 63.089 63.200 -0.289 0.000 1.007 1141 S HN 0.724 nan 8.310 nan 0.000 0.474 1142 F N 2.795 122.540 119.950 -0.342 0.000 2.604 1142 F HA 0.120 4.637 4.527 -0.016 0.000 0.298 1142 F C 1.972 177.725 175.800 -0.078 0.000 1.131 1142 F CA 0.530 58.475 58.000 -0.091 0.000 1.457 1142 F CB 0.188 39.242 39.000 0.091 0.000 1.095 1142 F HN 0.549 nan 8.300 nan 0.000 0.574 1143 E N -1.004 119.214 120.200 0.030 0.000 2.190 1143 E HA -0.055 4.285 4.350 -0.016 0.000 0.191 1143 E C 2.176 178.762 176.600 -0.024 0.000 0.978 1143 E CA 1.448 57.861 56.400 0.022 0.000 0.839 1143 E CB -0.239 29.471 29.700 0.016 0.000 0.787 1143 E HN 0.292 nan 8.360 nan 0.000 0.473 1144 T N -2.599 111.897 114.554 -0.097 0.000 3.010 1144 T HA 0.093 4.433 4.350 -0.016 0.000 0.257 1144 T C 0.581 175.220 174.700 -0.102 0.000 1.020 1144 T CA 0.158 62.206 62.100 -0.087 0.000 0.938 1144 T CB -0.112 68.702 68.868 -0.090 0.000 1.049 1144 T HN 0.010 nan 8.240 nan 0.000 0.522 1145 N N 1.865 120.453 118.700 -0.186 0.000 2.705 1145 N HA -0.191 4.539 4.740 -0.016 0.000 0.255 1145 N C -0.426 175.055 175.510 -0.049 0.000 1.008 1145 N CA 0.865 53.847 53.050 -0.113 0.000 0.742 1145 N CB -1.412 37.125 38.487 0.084 0.000 0.906 1145 N HN 0.998 nan 8.380 nan 0.000 0.541 1146 S N -1.338 114.217 115.700 -0.242 0.000 2.643 1146 S HA 0.853 5.313 4.470 -0.016 0.000 0.270 1146 S C 0.062 174.607 174.600 -0.092 0.000 1.166 1146 S CA 0.158 58.322 58.200 -0.059 0.000 0.815 1146 S CB 1.575 64.744 63.200 -0.052 0.000 1.139 1146 S HN 1.610 nan 8.310 nan 0.000 0.472 1147 G N 1.273 110.086 108.800 0.021 0.000 2.785 1147 G HA2 -0.046 3.905 3.960 -0.016 0.000 0.686 1147 G HA3 -0.046 3.905 3.960 -0.016 0.000 0.686 1147 G C -1.235 173.738 174.900 0.122 0.000 1.155 1147 G CA -0.915 44.207 45.100 0.037 0.000 0.760 1147 G HN 0.910 nan 8.290 nan 0.000 0.624 1148 N N 0.663 119.395 118.700 0.054 0.000 2.452 1148 N HA 0.402 5.132 4.740 -0.016 0.000 0.266 1148 N C 1.298 176.728 175.510 -0.133 0.000 1.175 1148 N CA 0.513 53.571 53.050 0.013 0.000 0.945 1148 N CB 1.581 40.077 38.487 0.015 0.000 1.063 1148 N HN 1.014 nan 8.380 nan 0.000 0.472 1149 A N 2.883 125.470 122.820 -0.389 0.000 1.975 1149 A HA 0.147 4.457 4.320 -0.016 0.000 0.215 1149 A C 0.155 177.021 177.584 -1.197 0.000 1.170 1149 A CA 0.847 52.252 52.037 -1.055 0.000 0.656 1149 A CB 0.049 17.653 19.000 -2.326 0.000 0.821 1149 A HN 0.570 nan 8.150 nan 0.000 0.449 1150 F N -3.891 115.836 119.950 -0.371 0.000 2.593 1150 F HA 0.490 5.007 4.527 -0.015 0.000 0.320 1150 F C 1.035 176.677 175.800 -0.263 0.000 1.060 1150 F CA -0.760 56.976 58.000 -0.440 0.000 0.940 1150 F CB 1.070 39.583 39.000 -0.812 0.000 1.268 1150 F HN 0.083 nan 8.300 nan 0.000 0.475 1151 H N 0.374 119.347 119.070 -0.160 0.000 2.372 1151 H HA 0.078 4.624 4.556 -0.016 0.000 0.301 1151 H C -0.850 174.511 175.328 0.055 0.000 1.065 1151 H CA 1.767 57.790 56.048 -0.042 0.000 1.364 1151 H CB 0.219 29.998 29.762 0.029 0.000 1.406 1151 H HN 0.531 nan 8.280 nan 0.000 0.521 1152 Y N -4.469 115.700 120.300 -0.219 0.000 2.895 1152 Y HA 0.417 4.957 4.550 -0.016 0.000 0.339 1152 Y C -1.835 173.741 175.900 -0.539 0.000 1.363 1152 Y CA -2.021 55.925 58.100 -0.258 0.000 1.085 1152 Y CB 0.511 38.886 38.460 -0.141 0.000 1.500 1152 Y HN -0.204 nan 8.280 nan 0.000 0.442 1153 F N 0.332 120.288 119.950 0.010 0.000 2.532 1153 F HA 0.703 5.221 4.527 -0.016 0.000 0.321 1153 F C -0.090 175.466 175.800 -0.406 0.000 1.089 1153 F CA -0.867 56.923 58.000 -0.350 0.000 0.926 1153 F CB 2.567 41.271 39.000 -0.493 0.000 1.168 1153 F HN 0.474 nan 8.300 nan 0.000 0.459 1154 T N 2.056 116.488 114.554 -0.202 0.000 2.829 1154 T HA 0.527 4.867 4.350 -0.016 0.000 0.282 1154 T C -1.166 173.373 174.700 -0.270 0.000 0.990 1154 T CA -0.404 61.623 62.100 -0.121 0.000 1.028 1154 T CB 0.490 69.392 68.868 0.057 0.000 0.951 1154 T HN 0.322 nan 8.240 nan 0.000 0.460 1155 Y N 0.168 120.556 120.300 0.146 0.000 2.570 1155 Y HA 0.731 5.272 4.550 -0.016 0.000 0.345 1155 Y C 0.656 176.601 175.900 0.075 0.000 1.014 1155 Y CA -0.895 57.253 58.100 0.081 0.000 1.063 1155 Y CB 2.676 41.109 38.460 -0.046 0.000 1.272 1155 Y HN 0.917 nan 8.280 nan 0.000 0.477 1156 G N 0.039 108.993 108.800 0.256 0.000 2.547 1156 G HA2 0.575 4.525 3.960 -0.016 0.000 0.291 1156 G HA3 0.575 4.525 3.960 -0.016 0.000 0.291 1156 G C -2.433 172.586 174.900 0.198 0.000 1.471 1156 G CA -0.691 44.522 45.100 0.187 0.000 0.798 1156 G HN 0.486 nan 8.290 nan 0.000 0.504 1157 V N -0.346 119.663 119.914 0.158 0.000 2.808 1157 V HA 0.857 4.967 4.120 -0.016 0.000 0.308 1157 V C -0.153 175.989 176.094 0.081 0.000 1.099 1157 V CA -0.246 62.151 62.300 0.162 0.000 0.920 1157 V CB 1.702 33.632 31.823 0.179 0.000 1.014 1157 V HN 1.743 nan 8.190 nan 0.000 0.425 1158 A N 2.600 125.466 122.820 0.076 0.000 2.393 1158 A HA 0.793 5.104 4.320 -0.016 0.000 0.306 1158 A C -0.934 176.653 177.584 0.005 0.000 1.050 1158 A CA -0.463 51.599 52.037 0.042 0.000 0.724 1158 A CB 1.711 20.797 19.000 0.143 0.000 1.248 1158 A HN 1.096 nan 8.150 nan 0.000 0.424 1159 C N 2.001 121.283 119.300 -0.029 0.000 2.345 1159 C HA 0.860 5.310 4.460 -0.016 0.000 0.323 1159 C C -0.064 174.942 174.990 0.026 0.000 1.276 1159 C CA -0.056 58.952 59.018 -0.017 0.000 1.543 1159 C CB 0.119 27.828 27.740 -0.052 0.000 2.211 1159 C HN 0.846 nan 8.230 nan 0.000 0.493 1160 S N 3.556 119.293 115.700 0.062 0.000 2.548 1160 S HA 0.598 5.059 4.470 -0.016 0.000 0.286 1160 S C -1.299 173.321 174.600 0.033 0.000 1.098 1160 S CA -0.510 57.728 58.200 0.063 0.000 0.930 1160 S CB 1.738 65.018 63.200 0.133 0.000 1.070 1160 S HN 0.884 nan 8.310 nan 0.000 0.480 1161 E N 1.495 121.697 120.200 0.004 0.000 2.222 1161 E HA 0.673 5.014 4.350 -0.016 0.000 0.267 1161 E C -1.240 175.342 176.600 -0.029 0.000 0.884 1161 E CA -0.848 55.534 56.400 -0.031 0.000 0.764 1161 E CB 1.441 31.103 29.700 -0.062 0.000 1.169 1161 E HN 0.510 nan 8.360 nan 0.000 0.413 1162 V N 0.526 120.414 119.914 -0.043 0.000 3.040 1162 V HA 0.649 4.759 4.120 -0.016 0.000 0.312 1162 V C -0.928 175.122 176.094 -0.074 0.000 1.115 1162 V CA -0.876 61.412 62.300 -0.020 0.000 0.998 1162 V CB 1.819 33.649 31.823 0.011 0.000 1.042 1162 V HN 0.837 nan 8.190 nan 0.000 0.433 1163 E N 2.498 122.666 120.200 -0.052 0.000 2.199 1163 E HA 0.641 4.981 4.350 -0.016 0.000 0.265 1163 E C -0.831 175.788 176.600 0.031 0.000 0.882 1163 E CA -0.923 55.423 56.400 -0.089 0.000 0.759 1163 E CB 1.920 31.522 29.700 -0.164 0.000 1.148 1163 E HN 0.924 nan 8.360 nan 0.000 0.412 1164 I N 0.652 121.253 120.570 0.051 0.000 2.577 1164 I HA 0.519 4.680 4.170 -0.016 0.000 0.305 1164 I C -0.367 175.818 176.117 0.113 0.000 0.986 1164 I CA -0.799 60.556 61.300 0.092 0.000 1.189 1164 I CB 1.645 39.678 38.000 0.055 0.000 1.355 1164 I HN 0.349 nan 8.210 nan 0.000 0.476 1165 D N 4.621 125.084 120.400 0.105 0.000 2.443 1165 D HA 0.274 4.904 4.640 -0.016 0.000 0.221 1165 D C 0.528 176.897 176.300 0.115 0.000 1.097 1165 D CA -0.490 53.577 54.000 0.111 0.000 0.865 1165 D CB 1.428 42.269 40.800 0.068 0.000 1.034 1165 D HN 0.752 nan 8.370 nan 0.000 0.511 1166 C N 3.274 122.679 119.300 0.175 0.000 2.437 1166 C HA -0.002 4.448 4.460 -0.016 0.000 0.283 1166 C C 2.549 177.647 174.990 0.180 0.000 1.424 1166 C CA -0.024 59.111 59.018 0.195 0.000 1.782 1166 C CB -0.875 27.034 27.740 0.283 0.000 1.833 1166 C HN 0.656 nan 8.230 nan 0.000 0.532 1167 L N 0.977 122.274 121.223 0.124 0.000 2.375 1167 L HA -0.012 4.318 4.340 -0.016 0.000 0.215 1167 L C 2.558 179.381 176.870 -0.078 0.000 1.108 1167 L CA 1.716 56.532 54.840 -0.039 0.000 0.830 1167 L CB -0.299 41.649 42.059 -0.186 0.000 0.959 1167 L HN 0.574 nan 8.230 nan 0.000 0.457 1168 T N -6.434 108.105 114.554 -0.026 0.000 2.980 1168 T HA 0.269 4.610 4.350 -0.016 0.000 0.252 1168 T C 1.432 176.128 174.700 -0.007 0.000 0.962 1168 T CA 0.578 62.656 62.100 -0.036 0.000 0.932 1168 T CB 1.035 69.880 68.868 -0.038 0.000 1.188 1168 T HN 0.233 nan 8.240 nan 0.000 0.500 1169 G N 1.418 110.231 108.800 0.021 0.000 2.176 1169 G HA2 -0.204 3.747 3.960 -0.016 0.000 0.253 1169 G HA3 -0.204 3.747 3.960 -0.016 0.000 0.253 1169 G C -0.190 174.743 174.900 0.056 0.000 0.979 1169 G CA 0.162 45.281 45.100 0.032 0.000 0.641 1169 G HN 0.709 nan 8.290 nan 0.000 0.530 1170 D N 1.125 121.552 120.400 0.045 0.000 2.360 1170 D HA 0.507 5.138 4.640 -0.016 0.000 0.242 1170 D C 0.671 177.036 176.300 0.109 0.000 1.184 1170 D CA 0.566 54.593 54.000 0.046 0.000 0.930 1170 D CB 0.382 41.176 40.800 -0.010 0.000 1.161 1170 D HN 0.639 nan 8.370 nan 0.000 0.447 1171 H N -1.147 117.903 119.070 -0.033 0.000 3.017 1171 H HA 0.455 5.001 4.556 -0.017 0.000 0.346 1171 H C -1.251 174.051 175.328 -0.043 0.000 1.286 1171 H CA -0.868 55.158 56.048 -0.037 0.000 1.120 1171 H CB 0.917 30.650 29.762 -0.049 0.000 1.860 1171 H HN 0.195 nan 8.280 nan 0.000 0.542 1172 K N 1.773 122.123 120.400 -0.084 0.000 2.292 1172 K HA 0.270 4.580 4.320 -0.016 0.000 0.257 1172 K C -0.785 175.808 176.600 -0.012 0.000 0.940 1172 K CA -1.049 55.161 56.287 -0.127 0.000 0.811 1172 K CB 1.615 34.072 32.500 -0.071 0.000 1.120 1172 K HN 0.467 nan 8.250 nan 0.000 0.428 1173 N N 3.843 122.517 118.700 -0.043 0.000 2.406 1173 N HA 0.113 4.843 4.740 -0.016 0.000 0.251 1173 N C 0.718 176.211 175.510 -0.028 0.000 1.069 1173 N CA 0.056 53.112 53.050 0.010 0.000 0.947 1173 N CB 0.943 39.427 38.487 -0.005 0.000 1.111 1173 N HN 0.453 nan 8.380 nan 0.000 0.497 1174 L N 1.357 122.564 121.223 -0.027 0.000 2.145 1174 L HA 0.207 4.537 4.340 -0.016 0.000 0.201 1174 L C 1.004 177.855 176.870 -0.032 0.000 1.075 1174 L CA 0.640 55.454 54.840 -0.043 0.000 0.773 1174 L CB 0.182 42.199 42.059 -0.071 0.000 0.936 1174 L HN 0.398 nan 8.230 nan 0.000 0.451 1175 R N -0.983 119.500 120.500 -0.028 0.000 2.594 1175 R HA 0.388 4.719 4.340 -0.016 0.000 0.265 1175 R C -1.679 174.611 176.300 -0.017 0.000 1.070 1175 R CA -0.288 55.802 56.100 -0.017 0.000 0.909 1175 R CB 2.122 32.410 30.300 -0.020 0.000 1.243 1175 R HN -0.220 nan 8.270 nan 0.000 0.455 1176 T N 2.523 117.068 114.554 -0.015 0.000 2.921 1176 T HA 0.354 4.694 4.350 -0.016 0.000 0.297 1176 T C -1.711 172.980 174.700 -0.016 0.000 1.013 1176 T CA -0.602 61.470 62.100 -0.047 0.000 0.990 1176 T CB 1.598 70.341 68.868 -0.208 0.000 1.023 1176 T HN 0.538 nan 8.240 nan 0.000 0.447 1177 D N 2.053 122.424 120.400 -0.048 0.000 2.502 1177 D HA 0.590 5.221 4.640 -0.016 0.000 0.249 1177 D C -0.546 175.706 176.300 -0.080 0.000 1.092 1177 D CA -0.360 53.608 54.000 -0.054 0.000 0.839 1177 D CB 1.506 42.274 40.800 -0.053 0.000 1.264 1177 D HN 0.359 nan 8.370 nan 0.000 0.511 1178 I N 1.802 122.320 120.570 -0.086 0.000 2.465 1178 I HA 0.455 4.615 4.170 -0.016 0.000 0.291 1178 I C -0.798 175.293 176.117 -0.043 0.000 1.014 1178 I CA -1.153 60.106 61.300 -0.068 0.000 1.093 1178 I CB 1.995 39.940 38.000 -0.093 0.000 1.267 1178 I HN 0.019 nan 8.210 nan 0.000 0.431 1179 V N 6.378 126.285 119.914 -0.012 0.000 2.444 1179 V HA 0.459 4.570 4.120 -0.016 0.000 0.294 1179 V C -0.353 175.765 176.094 0.040 0.000 1.022 1179 V CA -0.455 61.848 62.300 0.004 0.000 0.850 1179 V CB 1.691 33.514 31.823 0.001 0.000 0.992 1179 V HN 0.646 nan 8.190 nan 0.000 0.426 1180 M N 3.972 123.595 119.600 0.038 0.000 2.311 1180 M HA 0.493 4.963 4.480 -0.016 0.000 0.325 1180 M C -0.766 175.575 176.300 0.067 0.000 1.061 1180 M CA -0.452 54.887 55.300 0.065 0.000 0.957 1180 M CB 1.620 34.252 32.600 0.053 0.000 1.646 1180 M HN 0.650 nan 8.290 nan 0.000 0.434 1181 D N 3.692 124.154 120.400 0.104 0.000 2.393 1181 D HA 0.270 4.900 4.640 -0.016 0.000 0.232 1181 D C 0.195 176.555 176.300 0.101 0.000 1.192 1181 D CA -0.138 53.928 54.000 0.111 0.000 0.882 1181 D CB 0.597 41.507 40.800 0.184 0.000 1.038 1181 D HN 0.432 nan 8.370 nan 0.000 0.499 1182 V N 2.015 121.968 119.914 0.065 0.000 3.121 1182 V HA 0.565 4.675 4.120 -0.016 0.000 0.344 1182 V C 1.233 177.345 176.094 0.030 0.000 1.390 1182 V CA 0.196 62.529 62.300 0.054 0.000 1.177 1182 V CB -0.349 31.498 31.823 0.040 0.000 1.163 1182 V HN 0.631 nan 8.190 nan 0.000 0.484 1183 G N 1.600 110.415 108.800 0.024 0.000 2.582 1183 G HA2 -0.273 3.677 3.960 -0.016 0.000 0.288 1183 G HA3 -0.273 3.677 3.960 -0.016 0.000 0.288 1183 G C 0.113 175.011 174.900 -0.004 0.000 1.247 1183 G CA 0.179 45.274 45.100 -0.008 0.000 0.972 1183 G HN 0.993 nan 8.290 nan 0.000 0.557 1184 S N 0.427 116.119 115.700 -0.014 0.000 2.411 1184 S HA 0.515 4.975 4.470 -0.016 0.000 0.304 1184 S C 0.518 175.118 174.600 -0.001 0.000 1.098 1184 S CA 0.597 58.793 58.200 -0.006 0.000 1.068 1184 S CB 1.170 64.367 63.200 -0.005 0.000 1.032 1184 S HN 1.158 nan 8.310 nan 0.000 0.511 1185 S N 3.342 119.041 115.700 -0.000 0.000 2.546 1185 S HA 0.124 4.585 4.470 -0.016 0.000 0.290 1185 S C 1.348 175.948 174.600 0.000 0.000 1.290 1185 S CA -0.579 57.622 58.200 0.002 0.000 1.069 1185 S CB 0.027 63.227 63.200 0.000 0.000 0.846 1185 S HN 0.657 nan 8.310 nan 0.000 0.495 1186 L N 3.498 124.727 121.223 0.008 0.000 2.201 1186 L HA 0.074 4.404 4.340 -0.016 0.000 0.212 1186 L C 1.131 177.995 176.870 -0.010 0.000 1.105 1186 L CA 0.592 55.435 54.840 0.006 0.000 0.775 1186 L CB -0.290 41.784 42.059 0.025 0.000 0.913 1186 L HN 0.632 nan 8.230 nan 0.000 0.440 1187 N N -1.320 117.376 118.700 -0.006 0.000 2.875 1187 N HA 0.122 4.853 4.740 -0.016 0.000 0.253 1187 N C -2.358 173.149 175.510 -0.005 0.000 1.296 1187 N CA -0.923 52.122 53.050 -0.009 0.000 0.816 1187 N CB 1.444 39.926 38.487 -0.009 0.000 1.504 1187 N HN -0.300 nan 8.380 nan 0.000 0.582 1188 P HA -0.059 nan 4.420 nan 0.000 0.218 1188 P C 1.043 178.337 177.300 -0.010 0.000 1.148 1188 P CA 1.313 64.407 63.100 -0.010 0.000 0.822 1188 P CB 0.421 32.112 31.700 -0.015 0.000 0.784 1189 A N -0.792 122.025 122.820 -0.005 0.000 1.897 1189 A HA -0.130 4.181 4.320 -0.016 0.000 0.215 1189 A C 2.201 179.791 177.584 0.010 0.000 1.181 1189 A CA 1.215 53.252 52.037 -0.001 0.000 0.620 1189 A CB -1.477 17.526 19.000 0.006 0.000 0.821 1189 A HN 0.091 nan 8.150 nan 0.000 0.443 1190 I N -0.075 120.505 120.570 0.018 0.000 2.226 1190 I HA -0.220 3.941 4.170 -0.016 0.000 0.245 1190 I C 1.720 177.853 176.117 0.026 0.000 1.100 1190 I CA 1.444 62.763 61.300 0.031 0.000 1.374 1190 I CB -0.405 37.609 38.000 0.024 0.000 1.057 1190 I HN 0.254 nan 8.210 nan 0.000 0.413 1191 D N 0.905 121.313 120.400 0.014 0.000 2.123 1191 D HA -0.075 4.555 4.640 -0.016 0.000 0.200 1191 D C 2.275 178.579 176.300 0.007 0.000 0.976 1191 D CA 1.158 55.167 54.000 0.014 0.000 0.831 1191 D CB -0.130 40.677 40.800 0.011 0.000 0.974 1191 D HN 0.304 nan 8.370 nan 0.000 0.469 1192 I N 1.115 121.679 120.570 -0.011 0.000 2.208 1192 I HA -0.194 3.966 4.170 -0.016 0.000 0.245 1192 I C 2.533 178.629 176.117 -0.035 0.000 1.097 1192 I CA 1.388 62.665 61.300 -0.039 0.000 1.363 1192 I CB -0.516 37.446 38.000 -0.063 0.000 1.051 1192 I HN 0.023 nan 8.210 nan 0.000 0.413 1193 G N 0.041 108.836 108.800 -0.009 0.000 2.440 1193 G HA2 -0.243 3.708 3.960 -0.016 0.000 0.218 1193 G HA3 -0.243 3.708 3.960 -0.016 0.000 0.218 1193 G C 1.591 176.522 174.900 0.052 0.000 1.154 1193 G CA 0.440 45.550 45.100 0.017 0.000 0.767 1193 G HN 0.306 nan 8.290 nan 0.000 0.552 1194 Q N 0.119 119.953 119.800 0.056 0.000 2.079 1194 Q HA -0.034 4.297 4.340 -0.016 0.000 0.200 1194 Q C 3.018 179.070 176.000 0.088 0.000 0.974 1194 Q CA 1.001 56.851 55.803 0.078 0.000 0.840 1194 Q CB -0.694 28.081 28.738 0.061 0.000 0.898 1194 Q HN 0.422 nan 8.270 nan 0.000 0.430 1195 V N 1.509 121.460 119.914 0.063 0.000 2.255 1195 V HA -0.268 3.842 4.120 -0.016 0.000 0.247 1195 V C 2.174 178.357 176.094 0.149 0.000 1.051 1195 V CA 2.046 64.397 62.300 0.084 0.000 1.018 1195 V CB -0.577 31.264 31.823 0.030 0.000 0.641 1195 V HN 0.380 nan 8.190 nan 0.000 0.445 1196 E N 0.263 120.514 120.200 0.086 0.000 2.051 1196 E HA -0.159 4.181 4.350 -0.016 0.000 0.192 1196 E C 2.332 179.111 176.600 0.297 0.000 0.991 1196 E CA 1.317 57.820 56.400 0.171 0.000 0.799 1196 E CB -0.525 29.140 29.700 -0.058 0.000 0.748 1196 E HN 0.648 nan 8.360 nan 0.000 0.449 1197 G N 0.913 109.826 108.800 0.189 0.000 2.402 1197 G HA2 -0.209 3.741 3.960 -0.016 0.000 0.216 1197 G HA3 -0.209 3.741 3.960 -0.016 0.000 0.216 1197 G C 1.664 176.664 174.900 0.167 0.000 1.162 1197 G CA 0.794 45.997 45.100 0.172 0.000 0.777 1197 G HN 0.339 nan 8.290 nan 0.000 0.539 1198 A N 0.485 123.413 122.820 0.180 0.000 1.898 1198 A HA 0.103 4.413 4.320 -0.016 0.000 0.216 1198 A C 2.164 179.845 177.584 0.162 0.000 1.181 1198 A CA 1.490 53.617 52.037 0.150 0.000 0.620 1198 A CB -0.587 18.491 19.000 0.129 0.000 0.819 1198 A HN 0.415 nan 8.150 nan 0.000 0.442 1199 F N 0.793 120.803 119.950 0.101 0.000 2.126 1199 F HA -0.180 4.336 4.527 -0.018 0.000 0.299 1199 F C 2.128 177.958 175.800 0.050 0.000 1.096 1199 F CA 2.098 60.159 58.000 0.101 0.000 1.255 1199 F CB -0.183 38.924 39.000 0.179 0.000 0.997 1199 F HN 0.029 nan 8.300 nan 0.000 0.479 1200 V N 0.360 120.378 119.914 0.173 0.000 2.427 1200 V HA -0.287 3.824 4.120 -0.016 0.000 0.248 1200 V C 2.288 178.299 176.094 -0.139 0.000 1.051 1200 V CA 2.076 64.366 62.300 -0.016 0.000 1.048 1200 V CB -0.749 31.134 31.823 0.099 0.000 0.666 1200 V HN 0.414 nan 8.190 nan 0.000 0.456 1201 Q N -0.103 119.640 119.800 -0.096 0.000 2.170 1201 Q HA -0.133 4.197 4.340 -0.016 0.000 0.203 1201 Q C 2.329 178.185 176.000 -0.239 0.000 0.976 1201 Q CA 1.574 57.289 55.803 -0.147 0.000 0.858 1201 Q CB -0.377 28.310 28.738 -0.086 0.000 0.907 1201 Q HN 0.733 nan 8.270 nan 0.000 0.433 1202 G N 0.967 109.624 108.800 -0.237 0.000 2.408 1202 G HA2 -0.196 3.754 3.960 -0.016 0.000 0.215 1202 G HA3 -0.196 3.754 3.960 -0.016 0.000 0.215 1202 G C 1.378 176.114 174.900 -0.274 0.000 1.156 1202 G CA 0.472 45.403 45.100 -0.283 0.000 0.793 1202 G HN 0.305 nan 8.290 nan 0.000 0.535 1203 L N 2.096 123.090 121.223 -0.381 0.000 2.042 1203 L HA 0.095 4.425 4.340 -0.016 0.000 0.210 1203 L C 2.427 179.171 176.870 -0.209 0.000 1.076 1203 L CA 2.600 57.249 54.840 -0.319 0.000 0.749 1203 L CB -1.395 40.406 42.059 -0.430 0.000 0.893 1203 L HN 0.135 nan 8.230 nan 0.000 0.432 1204 G N 0.106 108.758 108.800 -0.247 0.000 2.433 1204 G HA2 -0.294 3.656 3.960 -0.016 0.000 0.216 1204 G HA3 -0.294 3.656 3.960 -0.016 0.000 0.216 1204 G C 1.621 176.339 174.900 -0.303 0.000 1.186 1204 G CA 1.028 45.977 45.100 -0.251 0.000 0.779 1204 G HN 0.491 nan 8.290 nan 0.000 0.543 1205 L N -0.225 120.734 121.223 -0.441 0.000 2.013 1205 L HA 0.040 4.370 4.340 -0.016 0.000 0.212 1205 L C 2.416 178.926 176.870 -0.601 0.000 1.073 1205 L CA 1.774 56.233 54.840 -0.635 0.000 0.753 1205 L CB -0.633 40.824 42.059 -1.002 0.000 0.890 1205 L HN 0.262 nan 8.230 nan 0.000 0.432 1206 F N -1.407 118.385 119.950 -0.262 0.000 2.743 1206 F HA 0.033 4.551 4.527 -0.014 0.000 0.297 1206 F C 1.859 177.626 175.800 -0.056 0.000 1.131 1206 F CA 0.743 58.600 58.000 -0.238 0.000 1.426 1206 F CB -0.104 38.750 39.000 -0.243 0.000 1.116 1206 F HN 0.337 nan 8.300 nan 0.000 0.583 1207 T N -5.150 109.427 114.554 0.039 0.000 3.028 1207 T HA 0.190 4.530 4.350 -0.016 0.000 0.262 1207 T C 0.954 175.650 174.700 -0.007 0.000 0.916 1207 T CA 0.097 62.218 62.100 0.036 0.000 0.873 1207 T CB 0.050 68.937 68.868 0.033 0.000 1.232 1207 T HN 0.012 nan 8.240 nan 0.000 0.529 1208 L N 0.644 121.813 121.223 -0.090 0.000 2.713 1208 L HA 0.560 4.890 4.340 -0.016 0.000 0.223 1208 L C 0.309 177.036 176.870 -0.238 0.000 1.040 1208 L CA 0.518 55.272 54.840 -0.143 0.000 0.894 1208 L CB 0.107 42.059 42.059 -0.178 0.000 1.361 1208 L HN 0.255 nan 8.230 nan 0.000 0.490 1209 E N 1.435 121.456 120.200 -0.299 0.000 2.152 1209 E HA 0.263 4.603 4.350 -0.016 0.000 0.285 1209 E C -0.309 176.171 176.600 -0.199 0.000 1.043 1209 E CA 0.038 56.159 56.400 -0.465 0.000 0.839 1209 E CB 0.819 30.267 29.700 -0.420 0.000 1.069 1209 E HN 0.088 nan 8.360 nan 0.000 0.399 1210 E N 4.732 124.856 120.200 -0.127 0.000 2.260 1210 E HA 0.236 4.576 4.350 -0.016 0.000 0.266 1210 E C -1.334 175.428 176.600 0.269 0.000 0.887 1210 E CA -0.536 55.920 56.400 0.093 0.000 0.777 1210 E CB 0.958 30.681 29.700 0.038 0.000 1.205 1210 E HN 0.393 nan 8.360 nan 0.000 0.414 1211 L N 3.588 124.989 121.223 0.297 0.000 2.334 1211 L HA 0.462 4.792 4.340 -0.016 0.000 0.277 1211 L C -0.328 176.648 176.870 0.176 0.000 1.075 1211 L CA -0.740 54.215 54.840 0.192 0.000 0.804 1211 L CB 1.037 43.164 42.059 0.113 0.000 1.174 1211 L HN 0.570 nan 8.230 nan 0.000 0.438 1212 H N 1.855 120.832 119.070 -0.155 0.000 2.759 1212 H HA 0.502 5.048 4.556 -0.015 0.000 0.354 1212 H C -1.728 173.457 175.328 -0.238 0.000 1.074 1212 H CA -0.653 55.382 56.048 -0.023 0.000 1.226 1212 H CB 1.061 30.885 29.762 0.103 0.000 1.648 1212 H HN 0.291 nan 8.280 nan 0.000 0.529 1213 Y N 1.865 121.988 120.300 -0.295 0.000 2.446 1213 Y HA 0.338 4.878 4.550 -0.016 0.000 0.345 1213 Y C 0.653 176.243 175.900 -0.516 0.000 0.984 1213 Y CA -0.709 57.160 58.100 -0.385 0.000 1.058 1213 Y CB 1.812 40.168 38.460 -0.173 0.000 1.220 1213 Y HN 0.743 nan 8.280 nan 0.000 0.455 1214 S N 1.897 117.289 115.700 -0.513 0.000 2.572 1214 S HA 0.079 4.539 4.470 -0.016 0.000 0.267 1214 S C -1.982 172.585 174.600 -0.056 0.000 1.361 1214 S CA -0.810 57.260 58.200 -0.218 0.000 1.009 1214 S CB 0.796 63.864 63.200 -0.220 0.000 0.888 1214 S HN 0.511 nan 8.310 nan 0.000 0.553 1215 P HA 0.031 nan 4.420 nan 0.000 0.225 1215 P C 0.461 177.751 177.300 -0.016 0.000 1.148 1215 P CA 0.876 63.978 63.100 0.004 0.000 0.779 1215 P CB -0.049 31.664 31.700 0.021 0.000 0.780 1216 E N -1.265 118.920 120.200 -0.024 0.000 2.489 1216 E HA 0.252 4.592 4.350 -0.016 0.000 0.193 1216 E C 1.373 177.949 176.600 -0.041 0.000 1.057 1216 E CA 0.580 56.961 56.400 -0.031 0.000 0.866 1216 E CB -0.821 28.861 29.700 -0.031 0.000 0.916 1216 E HN 0.149 nan 8.360 nan 0.000 0.500 1217 G N 0.411 109.186 108.800 -0.041 0.000 2.131 1217 G HA2 -0.263 3.687 3.960 -0.016 0.000 0.223 1217 G HA3 -0.263 3.687 3.960 -0.016 0.000 0.223 1217 G C 0.243 175.166 174.900 0.037 0.000 0.990 1217 G CA 0.314 45.397 45.100 -0.029 0.000 0.671 1217 G HN 0.262 nan 8.290 nan 0.000 0.521 1218 S N -0.233 115.452 115.700 -0.026 0.000 2.457 1218 S HA 0.631 5.091 4.470 -0.016 0.000 0.289 1218 S C 0.391 174.886 174.600 -0.174 0.000 1.163 1218 S CA -0.661 57.502 58.200 -0.063 0.000 1.078 1218 S CB 0.877 64.008 63.200 -0.116 0.000 0.987 1218 S HN 1.102 nan 8.310 nan 0.000 0.482 1219 L N 6.437 127.602 121.223 -0.097 0.000 2.513 1219 L HA 0.223 4.554 4.340 -0.016 0.000 0.272 1219 L C 1.086 177.787 176.870 -0.281 0.000 1.187 1219 L CA 0.804 55.433 54.840 -0.352 0.000 0.895 1219 L CB 0.246 42.159 42.059 -0.244 0.000 1.147 1219 L HN 0.797 nan 8.230 nan 0.000 0.483 1220 H N 1.777 120.717 119.070 -0.217 0.000 2.465 1220 H HA 0.096 4.642 4.556 -0.016 0.000 0.289 1220 H C 0.308 175.619 175.328 -0.028 0.000 1.022 1220 H CA 1.073 57.071 56.048 -0.085 0.000 1.340 1220 H CB 0.018 29.751 29.762 -0.049 0.000 1.437 1220 H HN 0.678 nan 8.280 nan 0.000 0.539 1221 T N -0.136 114.457 114.554 0.065 0.000 3.005 1221 T HA 0.428 4.768 4.350 -0.016 0.000 0.323 1221 T C 0.721 175.445 174.700 0.040 0.000 1.131 1221 T CA -0.661 61.500 62.100 0.102 0.000 0.977 1221 T CB 0.535 69.502 68.868 0.165 0.000 1.055 1221 T HN 0.165 nan 8.240 nan 0.000 0.562 1222 R N 1.794 122.340 120.500 0.076 0.000 2.629 1222 R HA 0.485 4.815 4.340 -0.016 0.000 0.386 1222 R C 0.691 177.054 176.300 0.105 0.000 1.071 1222 R CA -0.556 55.578 56.100 0.056 0.000 1.104 1222 R CB 1.129 31.458 30.300 0.049 0.000 1.370 1222 R HN 0.813 nan 8.270 nan 0.000 0.574 1223 G N 0.295 109.205 108.800 0.182 0.000 2.495 1223 G HA2 0.140 4.090 3.960 -0.016 0.000 0.294 1223 G HA3 0.140 4.090 3.960 -0.016 0.000 0.294 1223 G C -2.636 172.464 174.900 0.334 0.000 1.397 1223 G CA -0.730 44.521 45.100 0.252 0.000 0.790 1223 G HN -0.282 nan 8.290 nan 0.000 0.486 1224 P HA -0.012 nan 4.420 nan 0.000 0.230 1224 P C 1.704 179.067 177.300 0.106 0.000 1.158 1224 P CA 1.628 64.854 63.100 0.210 0.000 0.769 1224 P CB 0.242 32.075 31.700 0.221 0.000 0.807 1225 S N -0.595 115.175 115.700 0.116 0.000 2.436 1225 S HA -0.055 4.406 4.470 -0.016 0.000 0.228 1225 S C 1.683 176.321 174.600 0.063 0.000 1.014 1225 S CA 1.540 59.783 58.200 0.071 0.000 0.950 1225 S CB -1.534 61.707 63.200 0.068 0.000 0.784 1225 S HN 0.302 nan 8.310 nan 0.000 0.504 1226 T N -3.375 111.242 114.554 0.105 0.000 3.003 1226 T HA 0.316 4.657 4.350 -0.016 0.000 0.261 1226 T C -0.321 174.474 174.700 0.159 0.000 1.003 1226 T CA -0.446 61.718 62.100 0.107 0.000 0.917 1226 T CB -0.273 68.669 68.868 0.124 0.000 1.084 1226 T HN 0.387 nan 8.240 nan 0.000 0.522 1227 Y N 2.108 122.418 120.300 0.017 0.000 2.326 1227 Y HA 0.571 5.112 4.550 -0.015 0.000 0.329 1227 Y C -1.352 174.482 175.900 -0.110 0.000 0.973 1227 Y CA -1.369 56.723 58.100 -0.014 0.000 1.162 1227 Y CB 1.316 39.807 38.460 0.053 0.000 1.147 1227 Y HN -0.205 nan 8.280 nan 0.000 0.456 1228 K N 8.660 128.720 120.400 -0.567 0.000 2.404 1228 K HA 0.336 4.646 4.320 -0.016 0.000 0.257 1228 K C -0.372 175.902 176.600 -0.543 0.000 1.026 1228 K CA -0.407 55.627 56.287 -0.421 0.000 0.951 1228 K CB 0.630 32.969 32.500 -0.269 0.000 1.203 1228 K HN 0.829 nan 8.250 nan 0.000 0.446 1229 I N -0.556 119.707 120.570 -0.512 0.000 2.886 1229 I HA 0.422 4.582 4.170 -0.016 0.000 0.299 1229 I C -2.044 173.901 176.117 -0.287 0.000 1.044 1229 I CA -2.443 58.607 61.300 -0.417 0.000 1.310 1229 I CB 0.158 37.894 38.000 -0.440 0.000 1.441 1229 I HN 0.166 nan 8.210 nan 0.000 0.578 1230 P HA 0.164 nan 4.420 nan 0.000 0.266 1230 P C -0.811 176.402 177.300 -0.144 0.000 1.195 1230 P CA 0.047 63.045 63.100 -0.170 0.000 0.768 1230 P CB 0.666 32.276 31.700 -0.151 0.000 0.838 1231 A N 1.865 124.625 122.820 -0.100 0.000 2.309 1231 A HA 0.503 4.814 4.320 -0.016 0.000 0.317 1231 A C 0.721 178.305 177.584 -0.000 0.000 1.134 1231 A CA -0.558 51.460 52.037 -0.032 0.000 0.866 1231 A CB 0.028 19.032 19.000 0.007 0.000 1.329 1231 A HN 0.427 nan 8.150 nan 0.000 0.477 1232 F N 0.658 120.597 119.950 -0.018 0.000 2.115 1232 F HA -0.172 4.345 4.527 -0.017 0.000 0.300 1232 F C 2.498 178.292 175.800 -0.011 0.000 1.092 1232 F CA 2.644 60.644 58.000 0.001 0.000 1.245 1232 F CB -0.263 38.740 39.000 0.006 0.000 0.995 1232 F HN 0.647 nan 8.300 nan 0.000 0.481 1233 G N -2.021 106.879 108.800 0.166 0.000 2.848 1233 G HA2 -0.064 3.887 3.960 -0.016 0.000 0.208 1233 G HA3 -0.064 3.887 3.960 -0.016 0.000 0.208 1233 G C 1.471 176.366 174.900 -0.008 0.000 1.152 1233 G CA 0.729 45.866 45.100 0.063 0.000 0.789 1233 G HN 0.336 nan 8.290 nan 0.000 0.531 1234 S N -0.011 115.673 115.700 -0.027 0.000 2.501 1234 S HA 0.171 4.631 4.470 -0.016 0.000 0.220 1234 S C 1.128 175.674 174.600 -0.089 0.000 0.997 1234 S CA -0.320 57.831 58.200 -0.083 0.000 0.919 1234 S CB -0.039 63.101 63.200 -0.100 0.000 0.778 1234 S HN 0.601 nan 8.310 nan 0.000 0.523 1235 I N 0.265 120.795 120.570 -0.067 0.000 2.720 1235 I HA 0.396 4.557 4.170 -0.016 0.000 0.287 1235 I C -2.915 173.127 176.117 -0.125 0.000 1.090 1235 I CA -2.643 58.586 61.300 -0.119 0.000 1.384 1235 I CB -0.154 37.812 38.000 -0.057 0.000 1.420 1235 I HN -0.222 nan 8.210 nan 0.000 0.575 1236 P HA 0.020 nan 4.420 nan 0.000 0.262 1236 P C 0.491 177.768 177.300 -0.039 0.000 1.182 1236 P CA 0.182 63.193 63.100 -0.148 0.000 0.761 1236 P CB 0.538 32.085 31.700 -0.255 0.000 0.795 1237 T N 1.505 116.051 114.554 -0.012 0.000 2.699 1237 T HA -0.160 4.180 4.350 -0.016 0.000 0.268 1237 T C 0.395 175.127 174.700 0.053 0.000 1.036 1237 T CA 1.502 63.614 62.100 0.019 0.000 1.147 1237 T CB -0.243 68.626 68.868 0.001 0.000 0.862 1237 T HN 0.523 nan 8.240 nan 0.000 0.446 1238 E N 0.108 120.338 120.200 0.050 0.000 2.145 1238 E HA 0.468 4.808 4.350 -0.016 0.000 0.270 1238 E C -1.447 175.239 176.600 0.143 0.000 0.906 1238 E CA -0.338 56.106 56.400 0.074 0.000 0.761 1238 E CB 1.466 31.185 29.700 0.033 0.000 1.116 1238 E HN 0.345 nan 8.360 nan 0.000 0.408 1239 F N 4.206 124.126 119.950 -0.050 0.000 2.771 1239 F HA 0.413 4.931 4.527 -0.016 0.000 0.365 1239 F C -0.792 174.951 175.800 -0.096 0.000 1.169 1239 F CA -0.860 57.089 58.000 -0.085 0.000 1.093 1239 F CB 0.666 39.630 39.000 -0.059 0.000 1.363 1239 F HN 0.286 nan 8.300 nan 0.000 0.496 1240 R N 4.940 125.474 120.500 0.057 0.000 2.494 1240 R HA 0.694 5.024 4.340 -0.016 0.000 0.305 1240 R C -1.478 174.730 176.300 -0.153 0.000 0.959 1240 R CA -1.006 55.037 56.100 -0.096 0.000 0.864 1240 R CB 2.796 33.068 30.300 -0.047 0.000 1.159 1240 R HN 0.303 nan 8.270 nan 0.000 0.446 1241 V N 1.910 121.698 119.914 -0.209 0.000 2.588 1241 V HA 0.431 4.541 4.120 -0.016 0.000 0.304 1241 V C -0.516 175.511 176.094 -0.112 0.000 1.042 1241 V CA -0.653 61.542 62.300 -0.174 0.000 0.877 1241 V CB 2.146 33.827 31.823 -0.237 0.000 0.996 1241 V HN 0.800 nan 8.190 nan 0.000 0.425 1242 S N 5.011 120.667 115.700 -0.073 0.000 2.526 1242 S HA 0.735 5.195 4.470 -0.016 0.000 0.293 1242 S C -0.707 173.876 174.600 -0.028 0.000 1.092 1242 S CA -0.655 57.517 58.200 -0.048 0.000 0.980 1242 S CB 1.683 64.861 63.200 -0.038 0.000 1.048 1242 S HN 0.516 nan 8.310 nan 0.000 0.483 1243 L N 2.586 123.797 121.223 -0.020 0.000 2.307 1243 L HA 0.475 4.805 4.340 -0.016 0.000 0.282 1243 L C -0.218 176.653 176.870 0.002 0.000 1.051 1243 L CA -0.972 53.865 54.840 -0.004 0.000 0.804 1243 L CB 0.776 42.833 42.059 -0.004 0.000 1.197 1243 L HN 0.484 nan 8.230 nan 0.000 0.431 1244 L N 3.587 124.819 121.223 0.014 0.000 2.485 1244 L HA 0.145 4.476 4.340 -0.016 0.000 0.275 1244 L C 0.289 177.166 176.870 0.011 0.000 1.207 1244 L CA 0.635 55.484 54.840 0.015 0.000 0.855 1244 L CB 0.290 42.366 42.059 0.028 0.000 1.114 1244 L HN 0.505 nan 8.230 nan 0.000 0.485 1245 R N 2.912 123.416 120.500 0.007 0.000 2.573 1245 R HA 0.285 4.615 4.340 -0.016 0.000 0.272 1245 R C -0.394 175.909 176.300 0.005 0.000 1.009 1245 R CA -0.539 55.562 56.100 0.003 0.000 1.059 1245 R CB 0.688 30.988 30.300 -0.000 0.000 1.112 1245 R HN 0.785 nan 8.270 nan 0.000 0.517 1246 D N 0.526 120.927 120.400 0.003 0.000 2.686 1246 D HA -0.159 4.471 4.640 -0.016 0.000 0.235 1246 D C -0.394 175.909 176.300 0.005 0.000 1.160 1246 D CA 0.937 54.938 54.000 0.003 0.000 0.645 1246 D CB -1.300 39.502 40.800 0.004 0.000 1.039 1246 D HN 0.633 nan 8.370 nan 0.000 0.423 1247 C N -1.508 117.795 119.300 0.005 0.000 3.401 1247 C HA 0.418 4.868 4.460 -0.016 0.000 0.204 1247 C C -2.155 172.834 174.990 -0.003 0.000 1.522 1247 C CA -1.975 57.048 59.018 0.007 0.000 1.409 1247 C CB 0.365 28.116 27.740 0.020 0.000 1.967 1247 C HN 0.070 nan 8.230 nan 0.000 0.496 1248 P HA 0.082 nan 4.420 nan 0.000 0.265 1248 P C -0.460 176.808 177.300 -0.053 0.000 1.193 1248 P CA 0.664 63.747 63.100 -0.028 0.000 0.765 1248 P CB 0.721 32.408 31.700 -0.021 0.000 0.823 1249 N N 2.408 121.049 118.700 -0.098 0.000 2.462 1249 N HA 0.081 4.811 4.740 -0.016 0.000 0.242 1249 N C 0.833 176.235 175.510 -0.180 0.000 1.010 1249 N CA -0.300 52.644 53.050 -0.178 0.000 0.939 1249 N CB 0.393 38.685 38.487 -0.325 0.000 1.127 1249 N HN 0.123 nan 8.380 nan 0.000 0.509 1250 K N 1.710 122.028 120.400 -0.137 0.000 2.281 1250 K HA -0.060 4.250 4.320 -0.016 0.000 0.203 1250 K C 0.867 177.390 176.600 -0.129 0.000 1.046 1250 K CA 1.014 57.236 56.287 -0.108 0.000 0.938 1250 K CB 0.248 32.705 32.500 -0.071 0.000 0.737 1250 K HN 0.478 nan 8.250 nan 0.000 0.458 1251 K N -0.310 119.965 120.400 -0.208 0.000 2.426 1251 K HA 0.141 4.451 4.320 -0.016 0.000 0.193 1251 K C 0.360 176.939 176.600 -0.036 0.000 1.028 1251 K CA 0.181 56.364 56.287 -0.172 0.000 1.047 1251 K CB 0.884 33.134 32.500 -0.417 0.000 0.821 1251 K HN 0.072 nan 8.250 nan 0.000 0.513 1252 A N 0.910 123.627 122.820 -0.173 0.000 2.530 1252 A HA 0.456 4.766 4.320 -0.016 0.000 0.288 1252 A C -0.885 176.578 177.584 -0.201 0.000 1.172 1252 A CA -0.833 51.125 52.037 -0.132 0.000 0.733 1252 A CB 0.795 19.726 19.000 -0.116 0.000 1.320 1252 A HN 0.106 nan 8.150 nan 0.000 0.419 1253 I N 0.760 121.185 120.570 -0.243 0.000 2.828 1253 I HA 0.113 4.274 4.170 -0.016 0.000 0.292 1253 I C -0.013 175.986 176.117 -0.197 0.000 1.206 1253 I CA 1.103 62.191 61.300 -0.355 0.000 1.420 1253 I CB -1.271 36.525 38.000 -0.341 0.000 1.368 1253 I HN 0.594 nan 8.210 nan 0.000 0.556 1254 Y N 6.038 126.231 120.300 -0.179 0.000 3.396 1254 Y HA -0.271 4.269 4.550 -0.016 0.000 0.214 1254 Y C 1.430 177.268 175.900 -0.102 0.000 1.203 1254 Y CA 0.580 58.606 58.100 -0.123 0.000 1.401 1254 Y CB -1.737 36.672 38.460 -0.086 0.000 1.409 1254 Y HN 1.008 nan 8.280 nan 0.000 0.594 1255 A N -1.378 121.431 122.820 -0.018 0.000 2.899 1255 A HA -0.264 4.046 4.320 -0.016 0.000 0.257 1255 A C 1.011 178.555 177.584 -0.066 0.000 1.335 1255 A CA 1.035 53.040 52.037 -0.053 0.000 0.924 1255 A CB -1.983 17.004 19.000 -0.021 0.000 1.105 1255 A HN 1.322 nan 8.150 nan 0.000 0.765 1256 S N -0.912 114.755 115.700 -0.055 0.000 2.655 1256 S HA 0.747 5.207 4.470 -0.016 0.000 0.265 1256 S C -0.105 174.442 174.600 -0.088 0.000 1.240 1256 S CA -0.034 58.141 58.200 -0.042 0.000 0.986 1256 S CB 1.416 64.616 63.200 0.000 0.000 0.985 1256 S HN 0.552 nan 8.310 nan 0.000 0.562 1257 K N -0.160 120.230 120.400 -0.016 0.000 2.435 1257 K HA 0.640 4.950 4.320 -0.016 0.000 0.251 1257 K C -0.598 176.090 176.600 0.148 0.000 0.954 1257 K CA -0.892 55.439 56.287 0.073 0.000 0.820 1257 K CB 2.112 34.677 32.500 0.109 0.000 1.292 1257 K HN 0.857 nan 8.250 nan 0.000 0.436 1258 A N 1.098 124.068 122.820 0.250 0.000 2.587 1258 A HA 0.034 4.345 4.320 -0.016 0.000 0.235 1258 A C 0.661 178.282 177.584 0.061 0.000 1.044 1258 A CA 0.190 52.296 52.037 0.116 0.000 0.754 1258 A CB 0.250 19.288 19.000 0.063 0.000 0.968 1258 A HN 0.546 nan 8.150 nan 0.000 0.509 1259 V N 2.859 122.785 119.914 0.020 0.000 3.485 1259 V HA 0.222 4.332 4.120 -0.016 0.000 0.280 1259 V C 1.775 177.853 176.094 -0.028 0.000 1.495 1259 V CA 1.461 63.764 62.300 0.004 0.000 1.018 1259 V CB -0.200 31.637 31.823 0.024 0.000 0.818 1259 V HN 1.121 nan 8.190 nan 0.000 0.436 1260 G N 0.390 109.167 108.800 -0.038 0.000 2.511 1260 G HA2 -0.243 3.707 3.960 -0.016 0.000 0.216 1260 G HA3 -0.243 3.707 3.960 -0.016 0.000 0.216 1260 G C 1.229 176.090 174.900 -0.065 0.000 1.218 1260 G CA 1.496 46.582 45.100 -0.024 0.000 0.788 1260 G HN 0.594 nan 8.290 nan 0.000 0.560 1261 E N 0.378 120.445 120.200 -0.221 0.000 2.251 1261 E HA 0.023 4.363 4.350 -0.016 0.000 0.194 1261 E C -0.217 176.000 176.600 -0.639 0.000 0.964 1261 E CA 0.026 56.182 56.400 -0.406 0.000 0.868 1261 E CB 0.020 29.353 29.700 -0.611 0.000 0.828 1261 E HN 0.299 nan 8.360 nan 0.000 0.481 1262 P HA -0.149 nan 4.420 nan 0.000 0.217 1262 P C -1.712 175.531 177.300 -0.095 0.000 1.151 1262 P CA 1.737 64.556 63.100 -0.468 0.000 0.849 1262 P CB -0.822 30.781 31.700 -0.162 0.000 0.787 1263 P HA -0.003 nan 4.420 nan 0.000 0.236 1263 P C 1.542 178.942 177.300 0.167 0.000 1.177 1263 P CA 0.506 63.676 63.100 0.115 0.000 0.773 1263 P CB -0.408 31.369 31.700 0.128 0.000 0.878 1264 L N -1.249 120.033 121.223 0.099 0.000 2.046 1264 L HA -0.132 4.199 4.340 -0.016 0.000 0.208 1264 L C 2.173 179.158 176.870 0.192 0.000 1.077 1264 L CA 1.515 56.422 54.840 0.112 0.000 0.747 1264 L CB -0.689 41.405 42.059 0.059 0.000 0.896 1264 L HN -0.121 nan 8.230 nan 0.000 0.432 1265 F N 0.221 120.255 119.950 0.141 0.000 2.333 1265 F HA -0.189 4.329 4.527 -0.015 0.000 0.300 1265 F C 1.862 177.799 175.800 0.228 0.000 1.083 1265 F CA 1.264 59.411 58.000 0.244 0.000 1.395 1265 F CB -0.264 38.865 39.000 0.216 0.000 1.056 1265 F HN 0.016 nan 8.300 nan 0.000 0.529 1266 L N -0.100 121.169 121.223 0.076 0.000 2.261 1266 L HA -0.163 4.167 4.340 -0.016 0.000 0.216 1266 L C 2.726 179.629 176.870 0.055 0.000 1.114 1266 L CA 0.956 55.853 54.840 0.094 0.000 0.777 1266 L CB -1.586 40.666 42.059 0.322 0.000 0.910 1266 L HN 0.339 nan 8.230 nan 0.000 0.440 1267 G N 0.085 108.761 108.800 -0.206 0.000 2.485 1267 G HA2 -0.289 3.661 3.960 -0.016 0.000 0.221 1267 G HA3 -0.289 3.661 3.960 -0.016 0.000 0.221 1267 G C 1.714 176.449 174.900 -0.274 0.000 1.115 1267 G CA 0.809 45.553 45.100 -0.594 0.000 0.751 1267 G HN 0.501 nan 8.290 nan 0.000 0.567 1268 A N 1.196 123.745 122.820 -0.452 0.000 2.121 1268 A HA 0.052 4.363 4.320 -0.016 0.000 0.218 1268 A C 2.658 180.158 177.584 -0.139 0.000 1.154 1268 A CA 2.029 53.642 52.037 -0.707 0.000 0.679 1268 A CB -0.541 17.682 19.000 -1.294 0.000 0.795 1268 A HN 0.714 nan 8.150 nan 0.000 0.458 1269 S N -0.091 115.573 115.700 -0.061 0.000 2.383 1269 S HA -0.168 4.293 4.470 -0.016 0.000 0.229 1269 S C 1.708 176.373 174.600 0.109 0.000 1.030 1269 S CA 1.543 59.806 58.200 0.104 0.000 1.002 1269 S CB -1.040 62.251 63.200 0.151 0.000 0.829 1269 S HN 0.292 nan 8.310 nan 0.000 0.467 1270 V N 1.206 121.153 119.914 0.054 0.000 2.295 1270 V HA -0.109 4.002 4.120 -0.016 0.000 0.246 1270 V C 2.122 178.187 176.094 -0.048 0.000 1.049 1270 V CA 2.089 64.396 62.300 0.011 0.000 1.024 1270 V CB -1.134 30.678 31.823 -0.018 0.000 0.648 1270 V HN 0.563 nan 8.190 nan 0.000 0.447 1271 F N 0.479 120.292 119.950 -0.227 0.000 2.102 1271 F HA -0.202 4.317 4.527 -0.013 0.000 0.298 1271 F C 2.024 177.586 175.800 -0.396 0.000 1.105 1271 F CA 1.844 59.630 58.000 -0.357 0.000 1.239 1271 F CB -0.300 38.383 39.000 -0.529 0.000 0.991 1271 F HN 0.127 nan 8.300 nan 0.000 0.474 1272 F N 0.093 120.127 119.950 0.140 0.000 2.367 1272 F HA 0.040 4.555 4.527 -0.020 0.000 0.298 1272 F C 2.459 178.238 175.800 -0.036 0.000 1.094 1272 F CA 0.719 58.754 58.000 0.057 0.000 1.409 1272 F CB -0.982 38.059 39.000 0.068 0.000 1.064 1272 F HN 0.060 nan 8.300 nan 0.000 0.528 1273 A N 0.424 123.293 122.820 0.080 0.000 1.930 1273 A HA -0.123 4.187 4.320 -0.016 0.000 0.217 1273 A C 2.196 179.735 177.584 -0.074 0.000 1.175 1273 A CA 1.364 53.409 52.037 0.013 0.000 0.627 1273 A CB -0.932 18.073 19.000 0.008 0.000 0.815 1273 A HN 0.390 nan 8.150 nan 0.000 0.443 1274 I N -0.755 119.698 120.570 -0.195 0.000 2.252 1274 I HA -0.238 3.923 4.170 -0.016 0.000 0.245 1274 I C 2.546 178.534 176.117 -0.215 0.000 1.102 1274 I CA 1.646 62.782 61.300 -0.273 0.000 1.385 1274 I CB -0.188 37.531 38.000 -0.468 0.000 1.064 1274 I HN 0.331 nan 8.210 nan 0.000 0.414 1275 K N 0.664 120.898 120.400 -0.276 0.000 2.097 1275 K HA -0.261 4.050 4.320 -0.016 0.000 0.206 1275 K C 1.752 178.396 176.600 0.073 0.000 1.049 1275 K CA 1.947 58.170 56.287 -0.107 0.000 0.933 1275 K CB -0.085 32.315 32.500 -0.167 0.000 0.717 1275 K HN 0.174 nan 8.250 nan 0.000 0.442 1276 D N 0.024 120.456 120.400 0.053 0.000 2.104 1276 D HA -0.143 4.487 4.640 -0.016 0.000 0.194 1276 D C 1.657 177.995 176.300 0.064 0.000 0.994 1276 D CA 1.606 55.652 54.000 0.077 0.000 0.830 1276 D CB -0.045 40.792 40.800 0.063 0.000 0.959 1276 D HN 0.293 nan 8.370 nan 0.000 0.452 1277 A N 0.090 122.925 122.820 0.025 0.000 1.902 1277 A HA -0.120 4.190 4.320 -0.016 0.000 0.217 1277 A C 2.449 180.055 177.584 0.036 0.000 1.181 1277 A CA 1.264 53.315 52.037 0.023 0.000 0.623 1277 A CB -0.816 18.181 19.000 -0.005 0.000 0.818 1277 A HN 0.385 nan 8.150 nan 0.000 0.443 1278 I N -0.840 119.754 120.570 0.039 0.000 2.208 1278 I HA -0.301 3.859 4.170 -0.016 0.000 0.245 1278 I C 2.751 178.880 176.117 0.021 0.000 1.097 1278 I CA 1.427 62.742 61.300 0.024 0.000 1.363 1278 I CB -0.417 37.615 38.000 0.053 0.000 1.051 1278 I HN 0.304 nan 8.210 nan 0.000 0.413 1279 R N 0.809 121.403 120.500 0.158 0.000 2.096 1279 R HA -0.204 4.127 4.340 -0.016 0.000 0.240 1279 R C 2.462 178.799 176.300 0.061 0.000 1.139 1279 R CA 1.716 57.919 56.100 0.171 0.000 0.952 1279 R CB -0.576 29.861 30.300 0.229 0.000 0.854 1279 R HN 0.410 nan 8.270 nan 0.000 0.436 1280 A N 1.140 123.988 122.820 0.047 0.000 1.902 1280 A HA -0.107 4.204 4.320 -0.016 0.000 0.217 1280 A C 2.379 179.948 177.584 -0.026 0.000 1.181 1280 A CA 1.666 53.710 52.037 0.013 0.000 0.623 1280 A CB -0.579 18.439 19.000 0.030 0.000 0.818 1280 A HN 0.417 nan 8.150 nan 0.000 0.443 1281 A N -0.292 122.522 122.820 -0.011 0.000 1.933 1281 A HA -0.156 4.154 4.320 -0.016 0.000 0.218 1281 A C 2.251 179.812 177.584 -0.038 0.000 1.175 1281 A CA 1.559 53.589 52.037 -0.012 0.000 0.628 1281 A CB -0.415 18.608 19.000 0.038 0.000 0.814 1281 A HN 0.553 nan 8.150 nan 0.000 0.444 1282 R N -0.688 119.774 120.500 -0.062 0.000 2.090 1282 R HA 0.024 4.354 4.340 -0.016 0.000 0.228 1282 R C 2.464 178.731 176.300 -0.056 0.000 1.110 1282 R CA 0.997 57.051 56.100 -0.077 0.000 0.973 1282 R CB -0.407 29.795 30.300 -0.163 0.000 0.869 1282 R HN 0.497 nan 8.270 nan 0.000 0.440 1283 A N 0.909 123.699 122.820 -0.050 0.000 1.940 1283 A HA -0.267 4.043 4.320 -0.016 0.000 0.219 1283 A C 2.095 179.604 177.584 -0.124 0.000 1.176 1283 A CA 1.584 53.586 52.037 -0.058 0.000 0.631 1283 A CB -0.382 18.596 19.000 -0.038 0.000 0.814 1283 A HN 0.245 nan 8.150 nan 0.000 0.446 1284 Q N -1.286 118.392 119.800 -0.204 0.000 2.049 1284 Q HA -0.143 4.188 4.340 -0.016 0.000 0.198 1284 Q C 1.665 177.360 176.000 -0.508 0.000 0.971 1284 Q CA 2.010 57.561 55.803 -0.420 0.000 0.833 1284 Q CB -0.137 28.250 28.738 -0.586 0.000 0.896 1284 Q HN 0.759 nan 8.270 nan 0.000 0.434 1285 H N -2.120 116.877 119.070 -0.122 0.000 3.058 1285 H HA 0.303 4.857 4.556 -0.004 0.000 0.258 1285 H C 1.128 176.422 175.328 -0.056 0.000 1.015 1285 H CA 1.058 57.046 56.048 -0.100 0.000 1.210 1285 H CB 0.839 30.548 29.762 -0.089 0.000 1.481 1285 H HN 0.243 nan 8.280 nan 0.000 0.492 1286 T N 0.566 115.147 114.554 0.044 0.000 2.988 1286 T HA 0.059 4.400 4.350 -0.016 0.000 0.240 1286 T C 0.959 175.664 174.700 0.008 0.000 1.014 1286 T CA 0.452 62.565 62.100 0.021 0.000 1.155 1286 T CB 0.474 69.332 68.868 -0.015 0.000 0.872 1286 T HN 0.555 nan 8.240 nan 0.000 0.440 1287 N N -0.532 118.166 118.700 -0.002 0.000 3.449 1287 N HA 0.220 4.950 4.740 -0.016 0.000 0.312 1287 N C -1.126 174.381 175.510 -0.004 0.000 1.557 1287 N CA -0.801 52.251 53.050 0.002 0.000 0.864 1287 N CB 0.781 39.276 38.487 0.014 0.000 1.799 1287 N HN -0.169 nan 8.380 nan 0.000 0.554 1288 N N -0.646 118.057 118.700 0.005 0.000 2.171 1288 N HA 0.026 4.757 4.740 -0.016 0.000 0.212 1288 N C -0.858 174.663 175.510 0.018 0.000 1.184 1288 N CA -0.023 53.029 53.050 0.003 0.000 0.888 1288 N CB -0.021 38.467 38.487 0.001 0.000 1.038 1288 N HN 0.455 nan 8.380 nan 0.000 0.517 1289 N N 1.904 120.622 118.700 0.030 0.000 2.415 1289 N HA 0.015 4.745 4.740 -0.016 0.000 0.250 1289 N C 1.167 176.712 175.510 0.059 0.000 1.127 1289 N CA 0.147 53.224 53.050 0.046 0.000 0.945 1289 N CB 0.652 39.173 38.487 0.055 0.000 1.196 1289 N HN 0.094 nan 8.380 nan 0.000 0.499 1290 T N 0.524 115.110 114.554 0.054 0.000 3.072 1290 T HA 0.023 4.363 4.350 -0.016 0.000 0.266 1290 T C 0.879 175.627 174.700 0.080 0.000 1.127 1290 T CA 0.976 63.112 62.100 0.061 0.000 1.107 1290 T CB 0.017 68.914 68.868 0.047 0.000 0.910 1290 T HN 0.416 nan 8.240 nan 0.000 0.513 1291 K N 1.110 121.561 120.400 0.085 0.000 2.455 1291 K HA 0.224 4.534 4.320 -0.016 0.000 0.206 1291 K C 0.300 176.969 176.600 0.115 0.000 1.027 1291 K CA -0.235 56.110 56.287 0.097 0.000 1.113 1291 K CB 0.581 33.135 32.500 0.091 0.000 0.850 1291 K HN 0.541 nan 8.250 nan 0.000 0.503 1292 E N 1.993 122.271 120.200 0.131 0.000 2.415 1292 E HA 0.003 4.344 4.350 -0.016 0.000 0.263 1292 E C -0.869 175.851 176.600 0.200 0.000 0.995 1292 E CA 0.012 56.511 56.400 0.164 0.000 0.915 1292 E CB 0.508 30.317 29.700 0.182 0.000 0.951 1292 E HN 0.151 nan 8.360 nan 0.000 0.449 1293 L N 6.564 127.891 121.223 0.173 0.000 2.272 1293 L HA 0.415 4.745 4.340 -0.016 0.000 0.289 1293 L C -0.352 176.637 176.870 0.198 0.000 1.032 1293 L CA -0.944 53.970 54.840 0.124 0.000 0.810 1293 L CB 0.294 42.418 42.059 0.109 0.000 1.205 1293 L HN 0.492 nan 8.230 nan 0.000 0.422 1294 F N 0.689 120.706 119.950 0.111 0.000 2.538 1294 F HA 0.685 5.200 4.527 -0.020 0.000 0.325 1294 F C -0.120 175.764 175.800 0.139 0.000 1.066 1294 F CA -1.317 56.748 58.000 0.109 0.000 0.946 1294 F CB 1.159 40.211 39.000 0.087 0.000 1.199 1294 F HN 0.334 nan 8.300 nan 0.000 0.473 1295 R N 2.814 123.460 120.500 0.243 0.000 2.265 1295 R HA 0.584 4.914 4.340 -0.016 0.000 0.314 1295 R C -1.797 174.669 176.300 0.276 0.000 1.053 1295 R CA -0.656 55.561 56.100 0.195 0.000 0.931 1295 R CB 0.959 31.391 30.300 0.220 0.000 1.024 1295 R HN 0.865 nan 8.270 nan 0.000 0.457 1296 L N 4.995 126.356 121.223 0.231 0.000 2.372 1296 L HA 0.395 4.725 4.340 -0.016 0.000 0.273 1296 L C -1.264 175.885 176.870 0.464 0.000 0.989 1296 L CA -0.458 54.581 54.840 0.331 0.000 0.841 1296 L CB 1.483 43.693 42.059 0.252 0.000 1.225 1296 L HN 0.671 nan 8.230 nan 0.000 0.414 1297 D N 1.698 122.345 120.400 0.411 0.000 2.354 1297 D HA 0.257 4.887 4.640 -0.016 0.000 0.247 1297 D C -0.402 176.165 176.300 0.444 0.000 1.138 1297 D CA 0.052 54.312 54.000 0.435 0.000 0.958 1297 D CB 1.669 42.703 40.800 0.389 0.000 1.144 1297 D HN 0.461 nan 8.370 nan 0.000 0.458 1298 S N 0.344 116.186 115.700 0.237 0.000 2.525 1298 S HA 0.506 4.966 4.470 -0.016 0.000 0.290 1298 S C -2.621 172.008 174.600 0.048 0.000 1.152 1298 S CA -1.502 56.709 58.200 0.019 0.000 1.072 1298 S CB 1.115 63.936 63.200 -0.633 0.000 1.027 1298 S HN 0.158 nan 8.310 nan 0.000 0.500 1299 P HA 0.240 nan 4.420 nan 0.000 0.279 1299 P C -1.166 176.240 177.300 0.176 0.000 1.239 1299 P CA -0.471 62.678 63.100 0.082 0.000 0.789 1299 P CB 0.802 32.501 31.700 -0.000 0.000 0.933 1300 A N 2.901 125.864 122.820 0.238 0.000 2.981 1300 A HA 0.314 4.625 4.320 -0.016 0.000 0.280 1300 A C 1.013 178.606 177.584 0.015 0.000 1.743 1300 A CA -0.127 51.964 52.037 0.089 0.000 1.430 1300 A CB -1.474 17.426 19.000 -0.166 0.000 1.085 1300 A HN 0.607 nan 8.150 nan 0.000 0.597 1301 T N -0.878 113.698 114.554 0.037 0.000 2.788 1301 T HA 0.331 4.671 4.350 -0.016 0.000 0.287 1301 T C -1.644 173.067 174.700 0.018 0.000 1.007 1301 T CA -1.305 60.806 62.100 0.019 0.000 1.005 1301 T CB 0.355 69.229 68.868 0.010 0.000 1.012 1301 T HN 0.167 nan 8.240 nan 0.000 0.530 1302 P HA -0.134 nan 4.420 nan 0.000 0.216 1302 P C 1.543 178.849 177.300 0.010 0.000 1.150 1302 P CA 1.182 64.294 63.100 0.019 0.000 0.843 1302 P CB 0.021 31.726 31.700 0.008 0.000 0.787 1303 E N 0.320 120.523 120.200 0.005 0.000 2.070 1303 E HA -0.261 4.079 4.350 -0.016 0.000 0.197 1303 E C 1.731 178.346 176.600 0.024 0.000 1.004 1303 E CA 1.547 57.952 56.400 0.008 0.000 0.805 1303 E CB -0.161 29.539 29.700 -0.000 0.000 0.744 1303 E HN 0.193 nan 8.360 nan 0.000 0.451 1304 K N -0.064 120.358 120.400 0.037 0.000 2.103 1304 K HA -0.047 4.263 4.320 -0.016 0.000 0.204 1304 K C 2.305 178.930 176.600 0.041 0.000 1.052 1304 K CA 0.962 57.284 56.287 0.059 0.000 0.945 1304 K CB -0.033 32.521 32.500 0.091 0.000 0.722 1304 K HN 0.248 nan 8.250 nan 0.000 0.443 1305 I N 0.716 121.293 120.570 0.013 0.000 2.142 1305 I HA -0.274 3.887 4.170 -0.016 0.000 0.240 1305 I C 2.613 178.735 176.117 0.007 0.000 1.078 1305 I CA 1.036 62.332 61.300 -0.007 0.000 1.343 1305 I CB -0.201 37.783 38.000 -0.026 0.000 1.046 1305 I HN 0.053 nan 8.210 nan 0.000 0.405 1306 R N 1.744 122.254 120.500 0.016 0.000 2.080 1306 R HA -0.175 4.156 4.340 -0.016 0.000 0.236 1306 R C 1.936 178.251 176.300 0.025 0.000 1.137 1306 R CA 1.892 58.005 56.100 0.023 0.000 0.943 1306 R CB -0.691 29.617 30.300 0.014 0.000 0.846 1306 R HN 0.285 nan 8.270 nan 0.000 0.431 1307 N N 0.126 118.840 118.700 0.024 0.000 2.272 1307 N HA -0.125 4.606 4.740 -0.016 0.000 0.185 1307 N C 1.265 176.781 175.510 0.010 0.000 1.014 1307 N CA 1.541 54.608 53.050 0.027 0.000 0.870 1307 N CB -0.335 38.175 38.487 0.037 0.000 0.975 1307 N HN 0.416 nan 8.380 nan 0.000 0.433 1308 A N -0.397 122.418 122.820 -0.010 0.000 2.072 1308 A HA 0.030 4.341 4.320 -0.016 0.000 0.216 1308 A C 1.107 178.597 177.584 -0.158 0.000 1.156 1308 A CA 0.191 52.170 52.037 -0.096 0.000 0.701 1308 A CB -0.208 18.743 19.000 -0.082 0.000 0.816 1308 A HN 0.338 nan 8.150 nan 0.000 0.458 1309 C N 2.006 121.271 119.300 -0.059 0.000 3.183 1309 C HA 0.374 4.824 4.460 -0.016 0.000 0.545 1309 C C 0.656 175.668 174.990 0.036 0.000 1.044 1309 C CA -1.036 57.977 59.018 -0.008 0.000 1.117 1309 C CB -2.354 25.424 27.740 0.064 0.000 1.393 1309 C HN 0.301 nan 8.230 nan 0.000 0.611 1310 V N 4.420 124.330 119.914 -0.008 0.000 2.540 1310 V HA 0.231 4.341 4.120 -0.016 0.000 0.297 1310 V C 0.315 176.448 176.094 0.064 0.000 1.024 1310 V CA 0.957 63.270 62.300 0.022 0.000 1.105 1310 V CB 0.282 32.099 31.823 -0.009 0.000 0.938 1310 V HN 0.885 nan 8.190 nan 0.000 0.482 1311 D N 3.157 123.599 120.400 0.069 0.000 2.946 1311 D HA 0.200 4.831 4.640 -0.016 0.000 0.337 1311 D C 0.612 176.892 176.300 -0.033 0.000 1.332 1311 D CA -0.517 53.511 54.000 0.046 0.000 0.935 1311 D CB 0.736 41.586 40.800 0.083 0.000 1.440 1311 D HN 0.338 nan 8.370 nan 0.000 0.540 1312 K N -0.444 119.850 120.400 -0.178 0.000 2.360 1312 K HA -0.021 4.289 4.320 -0.016 0.000 0.201 1312 K C 1.095 177.433 176.600 -0.436 0.000 1.046 1312 K CA 1.123 57.202 56.287 -0.347 0.000 0.945 1312 K CB -0.488 31.730 32.500 -0.471 0.000 0.750 1312 K HN 0.292 nan 8.250 nan 0.000 0.464 1313 F N 2.288 122.229 119.950 -0.016 0.000 2.262 1313 F HA -0.035 4.481 4.527 -0.019 0.000 0.292 1313 F C 2.890 178.678 175.800 -0.019 0.000 1.081 1313 F CA 1.118 59.097 58.000 -0.034 0.000 1.355 1313 F CB -0.736 38.222 39.000 -0.069 0.000 1.069 1313 F HN 0.113 nan 8.300 nan 0.000 0.506 1314 T N -2.371 112.278 114.554 0.158 0.000 2.833 1314 T HA -0.179 4.161 4.350 -0.016 0.000 0.269 1314 T C 1.816 176.545 174.700 0.048 0.000 1.054 1314 T CA 1.783 63.936 62.100 0.089 0.000 1.135 1314 T CB -1.113 67.798 68.868 0.071 0.000 0.869 1314 T HN 0.365 nan 8.240 nan 0.000 0.466 1315 T N -0.325 114.243 114.554 0.023 0.000 3.057 1315 T HA 0.341 4.682 4.350 -0.016 0.000 0.254 1315 T C 1.336 176.033 174.700 -0.006 0.000 1.094 1315 T CA 0.313 62.416 62.100 0.004 0.000 1.088 1315 T CB -0.641 68.220 68.868 -0.010 0.000 0.934 1315 T HN 0.509 nan 8.240 nan 0.000 0.497 1316 L N -0.800 120.417 121.223 -0.010 0.000 4.759 1316 L HA -0.251 4.079 4.340 -0.016 0.000 0.419 1316 L C 1.814 178.655 176.870 -0.049 0.000 1.093 1316 L CA 0.094 54.924 54.840 -0.016 0.000 1.037 1316 L CB -2.849 39.213 42.059 0.004 0.000 2.095 1316 L HN 0.392 nan 8.230 nan 0.000 0.739 1317 c N -0.632 117.922 118.600 -0.076 0.000 2.413 1317 c HA -0.162 4.398 4.570 -0.016 0.000 0.277 1317 c C 2.601 176.623 174.090 -0.114 0.000 1.265 1317 c CA 1.271 57.549 56.329 -0.085 0.000 1.752 1317 c CB -0.526 41.929 42.510 -0.091 0.000 1.998 1317 c HN 0.655 nan 8.230 nan 0.000 0.489 1318 V N 1.764 121.562 119.914 -0.195 0.000 2.568 1318 V HA -0.195 3.916 4.120 -0.016 0.000 0.253 1318 V C 2.609 178.650 176.094 -0.088 0.000 1.072 1318 V CA 2.654 64.829 62.300 -0.209 0.000 1.084 1318 V CB -0.651 30.935 31.823 -0.396 0.000 0.676 1318 V HN 0.835 nan 8.190 nan 0.000 0.469 1319 T N -3.075 111.446 114.554 -0.054 0.000 3.072 1319 T HA 0.220 4.560 4.350 -0.016 0.000 0.266 1319 T C 1.566 176.253 174.700 -0.022 0.000 1.127 1319 T CA 1.275 63.361 62.100 -0.022 0.000 1.107 1319 T CB 0.346 69.209 68.868 -0.008 0.000 0.910 1319 T HN 1.270 nan 8.240 nan 0.000 0.513 1320 G N 0.739 109.520 108.800 -0.031 0.000 2.218 1320 G HA2 0.037 3.988 3.960 -0.016 0.000 0.216 1320 G HA3 0.037 3.988 3.960 -0.016 0.000 0.216 1320 G C 0.347 175.235 174.900 -0.020 0.000 0.994 1320 G CA -0.148 44.938 45.100 -0.023 0.000 0.637 1320 G HN 1.113 nan 8.290 nan 0.000 0.505 1321 A N 1.515 124.323 122.820 -0.020 0.000 2.366 1321 A HA 0.684 4.995 4.320 -0.016 0.000 0.249 1321 A C -1.103 176.470 177.584 -0.018 0.000 1.084 1321 A CA -0.197 51.831 52.037 -0.015 0.000 0.794 1321 A CB 0.144 19.137 19.000 -0.011 0.000 1.034 1321 A HN 0.303 nan 8.150 nan 0.000 0.491 1322 P HA 0.554 nan 4.420 nan 0.000 0.276 1322 P C 0.048 177.341 177.300 -0.012 0.000 1.252 1322 P CA 0.102 63.194 63.100 -0.012 0.000 0.802 1322 P CB 1.385 33.081 31.700 -0.007 0.000 1.035 1323 G N 0.288 109.081 108.800 -0.012 0.000 2.559 1323 G HA2 0.187 4.138 3.960 -0.016 0.000 0.291 1323 G HA3 0.187 4.138 3.960 -0.016 0.000 0.291 1323 G C -0.944 173.953 174.900 -0.004 0.000 1.424 1323 G CA -0.673 44.421 45.100 -0.009 0.000 0.786 1323 G HN 0.434 nan 8.290 nan 0.000 0.485 1324 N N 0.696 119.397 118.700 0.001 0.000 3.259 1324 N HA 0.208 4.939 4.740 -0.016 0.000 0.308 1324 N C 0.199 175.712 175.510 0.006 0.000 1.334 1324 N CA 0.240 53.294 53.050 0.006 0.000 1.202 1324 N CB -0.243 38.251 38.487 0.012 0.000 1.485 1324 N HN 0.738 nan 8.380 nan 0.000 0.549 1325 c N 0.000 118.601 118.600 0.002 0.000 2.653 1325 c HA 0.000 4.560 4.570 -0.016 0.000 0.325 1325 c CA 0.000 56.332 56.329 0.006 0.000 1.963 1325 c CB 0.000 42.501 42.510 -0.016 0.000 2.134 1325 c HN 0.000 nan 8.230 nan 0.000 0.568