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 3nvz_1_L 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 DKFTT 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 0.000 176.256 176.300 -0.074 0.000 2.045 571 D CA 0.000 53.954 54.000 -0.077 0.000 0.868 571 D CB 0.000 40.748 40.800 -0.087 0.000 0.688 572 T N -0.593 113.915 114.554 -0.076 0.000 3.054 572 T HA 0.239 4.588 4.350 -0.001 0.000 0.255 572 T C 0.767 175.423 174.700 -0.073 0.000 1.035 572 T CA -0.060 62.003 62.100 -0.061 0.000 0.941 572 T CB 0.081 68.923 68.868 -0.044 0.000 1.026 572 T HN 0.128 nan 8.240 nan 0.000 0.533 573 V N 2.389 122.235 119.914 -0.114 0.000 2.485 573 V HA 0.470 4.590 4.120 -0.001 0.000 0.287 573 V C 1.660 177.691 176.094 -0.104 0.000 1.022 573 V CA 1.286 63.507 62.300 -0.132 0.000 1.067 573 V CB -0.163 31.495 31.823 -0.274 0.000 0.967 573 V HN 0.871 nan 8.190 nan 0.000 0.479 574 G N 4.712 113.474 108.800 -0.064 0.000 2.176 574 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.232 574 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.232 574 G C 0.259 175.138 174.900 -0.035 0.000 0.986 574 G CA -0.136 44.937 45.100 -0.045 0.000 0.643 574 G HN 0.600 nan 8.290 nan 0.000 0.522 575 R N 0.742 121.221 120.500 -0.035 0.000 2.598 575 R HA 0.465 4.805 4.340 -0.001 0.000 0.279 575 R C -2.344 173.946 176.300 -0.017 0.000 0.984 575 R CA -1.735 54.350 56.100 -0.025 0.000 0.999 575 R CB 1.531 31.815 30.300 -0.027 0.000 1.114 575 R HN 0.029 nan 8.270 nan 0.000 0.493 576 P HA 0.020 nan 4.420 nan 0.000 0.225 576 P C -0.525 176.776 177.300 0.002 0.000 1.768 576 P CA -0.222 62.876 63.100 -0.004 0.000 0.943 576 P CB -0.143 31.554 31.700 -0.005 0.000 1.936 577 L N 2.860 124.083 121.223 0.000 0.000 2.462 577 L HA 0.305 4.644 4.340 -0.001 0.000 0.272 577 L C -2.271 174.612 176.870 0.022 0.000 1.166 577 L CA -1.769 53.075 54.840 0.006 0.000 0.880 577 L CB -0.472 41.584 42.059 -0.004 0.000 1.142 577 L HN -0.001 nan 8.230 nan 0.000 0.473 578 P HA -0.033 nan 4.420 nan 0.000 0.267 578 P C -0.778 176.580 177.300 0.096 0.000 1.200 578 P CA -0.030 63.111 63.100 0.069 0.000 0.772 578 P CB 0.198 31.938 31.700 0.067 0.000 0.855 579 H N 2.986 122.070 119.070 0.023 0.000 3.195 579 H HA -0.073 4.483 4.556 -0.001 0.000 0.302 579 H C 1.158 176.505 175.328 0.031 0.000 0.950 579 H CA 0.723 56.787 56.048 0.027 0.000 1.398 579 H CB 0.347 30.127 29.762 0.029 0.000 1.377 579 H HN 0.384 nan 8.280 nan 0.000 0.572 580 L N 4.279 125.529 121.223 0.044 0.000 2.127 580 L HA -0.212 4.127 4.340 -0.001 0.000 0.211 580 L C 2.319 179.304 176.870 0.193 0.000 1.089 580 L CA 1.577 56.473 54.840 0.094 0.000 0.757 580 L CB -0.383 41.682 42.059 0.011 0.000 0.899 580 L HN 0.644 nan 8.230 nan 0.000 0.434 581 A N -0.849 122.200 122.820 0.382 0.000 2.275 581 A HA 0.355 4.674 4.320 -0.001 0.000 0.212 581 A C 2.322 179.982 177.584 0.126 0.000 1.201 581 A CA 0.692 52.864 52.037 0.225 0.000 0.843 581 A CB -0.222 18.897 19.000 0.198 0.000 0.873 581 A HN 0.306 nan 8.150 nan 0.000 0.492 582 A N 0.392 123.297 122.820 0.141 0.000 1.908 582 A HA 0.080 4.399 4.320 -0.001 0.000 0.218 582 A C 2.426 180.037 177.584 0.045 0.000 1.181 582 A CA 1.987 54.046 52.037 0.037 0.000 0.627 582 A CB -0.836 18.199 19.000 0.059 0.000 0.818 582 A HN 1.026 nan 8.150 nan 0.000 0.445 583 A N -0.659 122.197 122.820 0.061 0.000 1.902 583 A HA -0.098 4.222 4.320 -0.001 0.000 0.217 583 A C 2.236 179.848 177.584 0.047 0.000 1.181 583 A CA 1.779 53.846 52.037 0.049 0.000 0.623 583 A CB -0.509 18.520 19.000 0.048 0.000 0.818 583 A HN 0.539 nan 8.150 nan 0.000 0.443 584 M N -1.078 118.553 119.600 0.051 0.000 2.319 584 M HA -0.148 4.332 4.480 -0.001 0.000 0.265 584 M C 2.282 178.614 176.300 0.053 0.000 1.068 584 M CA 1.147 56.474 55.300 0.046 0.000 1.118 584 M CB -0.293 32.332 32.600 0.041 0.000 1.395 584 M HN 0.490 nan 8.290 nan 0.000 0.435 585 Q N 0.221 120.053 119.800 0.054 0.000 2.079 585 Q HA -0.071 4.268 4.340 -0.001 0.000 0.200 585 Q C 2.237 178.283 176.000 0.077 0.000 0.974 585 Q CA 1.577 57.430 55.803 0.083 0.000 0.840 585 Q CB -0.196 28.574 28.738 0.054 0.000 0.898 585 Q HN 0.575 nan 8.270 nan 0.000 0.430 586 A N 0.776 123.629 122.820 0.055 0.000 2.014 586 A HA -0.117 4.203 4.320 -0.001 0.000 0.218 586 A C 2.097 179.710 177.584 0.047 0.000 1.163 586 A CA 1.480 53.547 52.037 0.050 0.000 0.652 586 A CB -0.268 18.758 19.000 0.043 0.000 0.808 586 A HN 0.395 nan 8.150 nan 0.000 0.449 587 S N -2.195 113.534 115.700 0.047 0.000 2.548 587 S HA 0.378 4.848 4.470 -0.001 0.000 0.215 587 S C 1.412 176.040 174.600 0.046 0.000 0.976 587 S CA 1.032 59.256 58.200 0.041 0.000 0.908 587 S CB -0.216 63.004 63.200 0.034 0.000 0.781 587 S HN 1.837 nan 8.310 nan 0.000 0.519 588 G N 1.248 110.087 108.800 0.064 0.000 2.153 588 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.252 588 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.252 588 G C 0.463 175.405 174.900 0.071 0.000 0.994 588 G CA 0.567 45.714 45.100 0.077 0.000 0.698 588 G HN 0.597 nan 8.290 nan 0.000 0.521 589 E N -0.042 120.191 120.200 0.055 0.000 2.250 589 E HA 0.391 4.741 4.350 -0.001 0.000 0.192 589 E C 1.825 178.438 176.600 0.022 0.000 0.986 589 E CA 0.322 56.743 56.400 0.034 0.000 0.849 589 E CB 0.153 29.867 29.700 0.025 0.000 0.797 589 E HN 0.781 nan 8.360 nan 0.000 0.482 590 A N 1.623 124.458 122.820 0.025 0.000 2.520 590 A HA 0.150 4.470 4.320 -0.001 0.000 0.245 590 A C 0.121 177.639 177.584 -0.111 0.000 1.072 590 A CA -0.030 51.967 52.037 -0.067 0.000 0.761 590 A CB 0.298 19.235 19.000 -0.104 0.000 1.004 590 A HN 0.002 nan 8.150 nan 0.000 0.499 591 V N 4.352 124.150 119.914 -0.194 0.000 2.383 591 V HA 0.315 4.435 4.120 -0.001 0.000 0.275 591 V C -0.497 175.417 176.094 -0.299 0.000 1.036 591 V CA -0.141 62.077 62.300 -0.136 0.000 0.889 591 V CB 0.062 31.827 31.823 -0.096 0.000 0.985 591 V HN 0.752 nan 8.190 nan 0.000 0.459 592 Y N 1.845 122.136 120.300 -0.015 0.000 2.519 592 Y HA 0.329 4.879 4.550 -0.000 0.000 0.324 592 Y C 1.603 177.490 175.900 -0.022 0.000 1.214 592 Y CA -0.407 57.684 58.100 -0.015 0.000 1.260 592 Y CB 0.541 38.993 38.460 -0.013 0.000 1.311 592 Y HN 0.645 nan 8.280 nan 0.000 0.505 593 C N 0.667 120.056 119.300 0.148 0.000 2.367 593 C HA -0.277 4.183 4.460 -0.001 0.000 0.276 593 C C 2.483 177.507 174.990 0.056 0.000 1.195 593 C CA 2.479 61.545 59.018 0.080 0.000 1.756 593 C CB -0.871 26.922 27.740 0.088 0.000 2.046 593 C HN 1.078 nan 8.230 nan 0.000 0.453 594 D N -0.306 120.142 120.400 0.081 0.000 2.348 594 D HA -0.065 4.574 4.640 -0.001 0.000 0.216 594 D C 1.487 177.820 176.300 0.055 0.000 0.970 594 D CA 0.908 54.950 54.000 0.070 0.000 0.889 594 D CB -0.337 40.511 40.800 0.079 0.000 0.912 594 D HN 0.558 nan 8.370 nan 0.000 0.524 595 D N -0.336 120.100 120.400 0.059 0.000 2.317 595 D HA 0.002 4.642 4.640 -0.001 0.000 0.211 595 D C 0.630 176.916 176.300 -0.024 0.000 0.966 595 D CA 0.105 54.129 54.000 0.040 0.000 0.876 595 D CB 0.112 40.962 40.800 0.084 0.000 0.927 595 D HN 0.358 nan 8.370 nan 0.000 0.519 596 I N 2.694 123.222 120.570 -0.071 0.000 2.683 596 I HA -0.014 4.156 4.170 -0.001 0.000 0.286 596 I C -1.857 174.169 176.117 -0.152 0.000 1.175 596 I CA -1.380 59.818 61.300 -0.169 0.000 1.429 596 I CB 0.168 37.986 38.000 -0.303 0.000 1.371 596 I HN -0.259 nan 8.210 nan 0.000 0.569 597 P HA 0.103 nan 4.420 nan 0.000 0.268 597 P C -0.949 176.231 177.300 -0.200 0.000 1.208 597 P CA -0.181 62.827 63.100 -0.154 0.000 0.777 597 P CB 0.463 32.060 31.700 -0.171 0.000 0.875 598 R N 1.299 121.733 120.500 -0.111 0.000 2.404 598 R HA 0.345 4.684 4.340 -0.001 0.000 0.291 598 R C -0.173 176.063 176.300 -0.107 0.000 1.025 598 R CA -0.352 55.699 56.100 -0.081 0.000 0.991 598 R CB 0.032 30.366 30.300 0.057 0.000 1.053 598 R HN 0.444 nan 8.270 nan 0.000 0.479 599 Y N 1.659 121.949 120.300 -0.017 0.000 2.426 599 Y HA -0.141 4.409 4.550 -0.000 0.000 0.344 599 Y C 1.907 177.814 175.900 0.012 0.000 1.256 599 Y CA 0.319 58.414 58.100 -0.008 0.000 1.451 599 Y CB 0.702 39.152 38.460 -0.016 0.000 1.342 599 Y HN 0.719 nan 8.280 nan 0.000 0.600 600 E N 0.461 120.787 120.200 0.209 0.000 2.130 600 E HA -0.296 4.054 4.350 -0.001 0.000 0.196 600 E C 0.652 177.330 176.600 0.130 0.000 0.998 600 E CA 1.747 58.226 56.400 0.131 0.000 0.806 600 E CB -0.328 29.430 29.700 0.097 0.000 0.738 600 E HN 0.737 nan 8.360 nan 0.000 0.459 601 N N 0.976 119.751 118.700 0.125 0.000 2.214 601 N HA 0.006 4.745 4.740 -0.001 0.000 0.214 601 N C -0.303 175.335 175.510 0.213 0.000 1.132 601 N CA -0.107 53.027 53.050 0.139 0.000 0.856 601 N CB 0.208 38.666 38.487 -0.049 0.000 1.020 601 N HN 0.254 nan 8.380 nan 0.000 0.509 602 E N 0.984 121.271 120.200 0.145 0.000 2.360 602 E HA 0.238 4.588 4.350 -0.001 0.000 0.269 602 E C -0.552 176.000 176.600 -0.080 0.000 1.022 602 E CA -0.294 56.129 56.400 0.038 0.000 0.887 602 E CB 0.630 30.326 29.700 -0.007 0.000 0.990 602 E HN 0.226 nan 8.360 nan 0.000 0.426 603 L N 3.304 124.426 121.223 -0.169 0.000 2.298 603 L HA 0.565 4.905 4.340 -0.001 0.000 0.268 603 L C -0.678 175.926 176.870 -0.444 0.000 1.010 603 L CA -1.100 53.651 54.840 -0.148 0.000 0.812 603 L CB 0.890 42.910 42.059 -0.065 0.000 1.331 603 L HN 0.516 nan 8.230 nan 0.000 0.450 604 F N 0.824 120.791 119.950 0.028 0.000 2.540 604 F HA 0.586 5.113 4.527 -0.000 0.000 0.317 604 F C -0.298 175.516 175.800 0.024 0.000 1.104 604 F CA -0.479 57.542 58.000 0.035 0.000 0.913 604 F CB 1.925 40.947 39.000 0.038 0.000 1.170 604 F HN 0.156 nan 8.300 nan 0.000 0.450 605 L N 3.330 124.659 121.223 0.177 0.000 2.334 605 L HA 0.778 5.118 4.340 -0.001 0.000 0.276 605 L C -0.929 176.017 176.870 0.128 0.000 1.014 605 L CA -0.710 54.200 54.840 0.116 0.000 0.815 605 L CB 1.506 43.613 42.059 0.079 0.000 1.268 605 L HN 0.719 nan 8.230 nan 0.000 0.428 606 R N 4.030 124.592 120.500 0.102 0.000 2.532 606 R HA 0.550 4.889 4.340 -0.001 0.000 0.297 606 R C -1.542 174.804 176.300 0.077 0.000 0.984 606 R CA -0.460 55.692 56.100 0.086 0.000 0.884 606 R CB 1.274 31.615 30.300 0.068 0.000 1.182 606 R HN 0.677 nan 8.270 nan 0.000 0.442 607 L N 3.688 124.959 121.223 0.080 0.000 2.456 607 L HA 0.282 4.622 4.340 -0.001 0.000 0.272 607 L C -0.256 176.663 176.870 0.081 0.000 1.189 607 L CA -0.462 54.432 54.840 0.091 0.000 0.846 607 L CB 1.011 43.136 42.059 0.109 0.000 1.111 607 L HN 0.324 nan 8.230 nan 0.000 0.475 608 V N 2.339 122.310 119.914 0.095 0.000 2.398 608 V HA 0.412 4.531 4.120 -0.001 0.000 0.286 608 V C 0.154 176.322 176.094 0.122 0.000 1.026 608 V CA -0.263 62.112 62.300 0.125 0.000 0.868 608 V CB 1.697 33.661 31.823 0.236 0.000 0.982 608 V HN 0.795 nan 8.190 nan 0.000 0.443 609 T N 2.916 117.547 114.554 0.128 0.000 2.893 609 T HA 0.322 4.672 4.350 -0.001 0.000 0.291 609 T C -0.127 174.681 174.700 0.180 0.000 1.028 609 T CA -0.271 61.916 62.100 0.145 0.000 0.995 609 T CB 1.788 70.732 68.868 0.127 0.000 1.051 609 T HN 0.704 nan 8.240 nan 0.000 0.470 610 S N 1.085 116.909 115.700 0.207 0.000 2.549 610 S HA 0.114 4.583 4.470 -0.001 0.000 0.286 610 S C 1.392 176.069 174.600 0.129 0.000 1.314 610 S CA 0.135 58.479 58.200 0.240 0.000 1.062 610 S CB 0.213 63.563 63.200 0.249 0.000 0.865 610 S HN 0.861 nan 8.310 nan 0.000 0.498 611 T N 2.795 117.376 114.554 0.044 0.000 3.105 611 T HA 0.349 4.699 4.350 -0.001 0.000 0.253 611 T C 0.307 174.884 174.700 -0.206 0.000 1.047 611 T CA -0.424 61.643 62.100 -0.055 0.000 0.944 611 T CB 0.013 68.880 68.868 -0.003 0.000 1.016 611 T HN 0.432 nan 8.240 nan 0.000 0.544 612 R N 0.346 120.655 120.500 -0.319 0.000 2.670 612 R HA 0.760 5.100 4.340 -0.001 0.000 0.289 612 R C 0.977 177.230 176.300 -0.079 0.000 0.965 612 R CA -0.280 55.649 56.100 -0.284 0.000 0.899 612 R CB 1.352 31.330 30.300 -0.537 0.000 1.173 612 R HN 0.136 nan 8.270 nan 0.000 0.456 613 A N 1.177 123.978 122.820 -0.031 0.000 1.930 613 A HA -0.124 4.195 4.320 -0.001 0.000 0.217 613 A C 0.255 177.904 177.584 0.109 0.000 1.175 613 A CA 1.564 53.615 52.037 0.024 0.000 0.627 613 A CB -0.201 18.803 19.000 0.007 0.000 0.815 613 A HN 0.650 nan 8.150 nan 0.000 0.443 614 H N -2.151 116.906 119.070 -0.021 0.000 3.128 614 H HA 0.619 5.175 4.556 -0.001 0.000 0.336 614 H C -0.998 174.345 175.328 0.025 0.000 1.026 614 H CA -0.475 55.582 56.048 0.015 0.000 1.376 614 H CB 0.882 30.644 29.762 0.000 0.000 1.882 614 H HN 0.495 nan 8.280 nan 0.000 0.479 615 A N 3.883 126.738 122.820 0.058 0.000 2.599 615 A HA 0.517 4.837 4.320 -0.001 0.000 0.294 615 A C -1.299 176.341 177.584 0.093 0.000 1.055 615 A CA -0.815 51.237 52.037 0.025 0.000 0.683 615 A CB 1.317 20.388 19.000 0.118 0.000 1.278 615 A HN 0.644 nan 8.150 nan 0.000 0.412 616 K N 1.327 121.762 120.400 0.058 0.000 2.298 616 K HA 0.580 4.899 4.320 -0.001 0.000 0.280 616 K C -0.904 175.758 176.600 0.103 0.000 1.032 616 K CA -0.009 56.319 56.287 0.069 0.000 0.958 616 K CB 0.347 32.862 32.500 0.024 0.000 0.978 616 K HN 0.495 nan 8.250 nan 0.000 0.472 617 I N 5.496 126.103 120.570 0.062 0.000 2.379 617 I HA 0.041 4.210 4.170 -0.001 0.000 0.290 617 I C 1.254 177.341 176.117 -0.051 0.000 1.063 617 I CA -0.096 61.185 61.300 -0.032 0.000 1.351 617 I CB 1.055 39.034 38.000 -0.035 0.000 1.410 617 I HN 0.844 nan 8.210 nan 0.000 0.505 618 K N 4.803 125.149 120.400 -0.089 0.000 2.128 618 K HA 0.044 4.364 4.320 -0.001 0.000 0.202 618 K C 0.407 176.961 176.600 -0.076 0.000 1.050 618 K CA 0.810 57.060 56.287 -0.062 0.000 0.966 618 K CB 0.411 32.883 32.500 -0.048 0.000 0.759 618 K HN 0.727 nan 8.250 nan 0.000 0.454 619 S N -0.530 115.097 115.700 -0.122 0.000 2.552 619 S HA 0.479 4.949 4.470 -0.001 0.000 0.272 619 S C -0.926 173.579 174.600 -0.158 0.000 1.150 619 S CA -1.098 57.035 58.200 -0.112 0.000 0.849 619 S CB 1.292 64.437 63.200 -0.092 0.000 1.113 619 S HN 0.117 nan 8.310 nan 0.000 0.458 620 I N 1.919 122.403 120.570 -0.143 0.000 2.447 620 I HA 0.433 4.603 4.170 -0.001 0.000 0.287 620 I C -1.377 174.611 176.117 -0.215 0.000 1.023 620 I CA -0.376 60.804 61.300 -0.201 0.000 1.083 620 I CB 1.918 39.800 38.000 -0.197 0.000 1.245 620 I HN 0.707 nan 8.210 nan 0.000 0.434 621 D N 5.771 126.033 120.400 -0.231 0.000 2.381 621 D HA 0.324 4.964 4.640 -0.001 0.000 0.235 621 D C 0.396 176.535 176.300 -0.269 0.000 1.068 621 D CA -0.457 53.420 54.000 -0.205 0.000 0.832 621 D CB 2.050 42.762 40.800 -0.147 0.000 1.101 621 D HN 0.332 nan 8.370 nan 0.000 0.515 622 V N 1.607 121.355 119.914 -0.277 0.000 3.578 622 V HA 0.116 4.236 4.120 -0.001 0.000 0.290 622 V C 1.677 177.602 176.094 -0.282 0.000 1.376 622 V CA 0.673 62.781 62.300 -0.319 0.000 1.083 622 V CB -0.399 31.226 31.823 -0.331 0.000 0.911 622 V HN 0.481 nan 8.190 nan 0.000 0.433 623 S N 0.659 116.234 115.700 -0.208 0.000 2.400 623 S HA -0.202 4.268 4.470 -0.001 0.000 0.232 623 S C 1.732 176.214 174.600 -0.198 0.000 1.025 623 S CA 1.609 59.700 58.200 -0.181 0.000 0.993 623 S CB -0.445 62.681 63.200 -0.123 0.000 0.808 623 S HN 0.647 nan 8.310 nan 0.000 0.478 624 E N 1.907 121.997 120.200 -0.184 0.000 2.076 624 E HA 0.122 4.471 4.350 -0.001 0.000 0.190 624 E C 2.518 178.985 176.600 -0.221 0.000 0.979 624 E CA 1.074 57.377 56.400 -0.162 0.000 0.807 624 E CB -0.811 28.824 29.700 -0.109 0.000 0.761 624 E HN 0.647 nan 8.360 nan 0.000 0.454 625 A N 1.479 124.123 122.820 -0.292 0.000 1.940 625 A HA -0.248 4.072 4.320 -0.001 0.000 0.219 625 A C 2.087 179.177 177.584 -0.824 0.000 1.176 625 A CA 1.584 53.376 52.037 -0.409 0.000 0.631 625 A CB -0.600 18.197 19.000 -0.338 0.000 0.814 625 A HN 0.228 nan 8.150 nan 0.000 0.446 626 Q N -0.573 118.681 119.800 -0.911 0.000 2.364 626 Q HA -0.112 4.227 4.340 -0.001 0.000 0.209 626 Q C 1.403 177.183 176.000 -0.367 0.000 0.977 626 Q CA 1.292 56.580 55.803 -0.859 0.000 0.885 626 Q CB -0.103 28.354 28.738 -0.469 0.000 0.941 626 Q HN 0.651 nan 8.270 nan 0.000 0.464 627 K N -0.085 120.155 120.400 -0.267 0.000 2.444 627 K HA 0.102 4.422 4.320 -0.001 0.000 0.193 627 K C -0.157 176.379 176.600 -0.107 0.000 1.024 627 K CA -0.054 56.148 56.287 -0.141 0.000 1.077 627 K CB 0.725 33.158 32.500 -0.112 0.000 0.833 627 K HN -0.055 nan 8.250 nan 0.000 0.517 628 V N 3.836 123.680 119.914 -0.118 0.000 2.488 628 V HA 0.091 4.210 4.120 -0.001 0.000 0.277 628 V C -2.208 173.823 176.094 -0.105 0.000 1.046 628 V CA -1.933 60.321 62.300 -0.078 0.000 0.986 628 V CB 0.616 32.434 31.823 -0.008 0.000 0.989 628 V HN 0.046 nan 8.190 nan 0.000 0.475 629 P HA 0.158 nan 4.420 nan 0.000 0.262 629 P C 0.955 177.997 177.300 -0.430 0.000 1.182 629 P CA 1.380 64.298 63.100 -0.304 0.000 0.761 629 P CB 0.427 31.904 31.700 -0.372 0.000 0.795 630 G N 2.405 111.138 108.800 -0.113 0.000 2.179 630 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.260 630 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.260 630 G C 0.116 175.080 174.900 0.107 0.000 0.977 630 G CA -0.383 44.739 45.100 0.037 0.000 0.641 630 G HN 0.559 nan 8.290 nan 0.000 0.533 631 F N 1.217 121.150 119.950 -0.029 0.000 2.608 631 F HA 0.392 4.919 4.527 -0.000 0.000 0.380 631 F C 1.363 177.172 175.800 0.014 0.000 1.083 631 F CA 0.892 58.899 58.000 0.011 0.000 1.266 631 F CB 0.937 39.935 39.000 -0.003 0.000 1.076 631 F HN -0.072 nan 8.300 nan 0.000 0.574 632 V N 4.714 124.235 119.914 -0.655 0.000 2.599 632 V HA 0.069 4.188 4.120 -0.001 0.000 0.237 632 V C 0.484 176.195 176.094 -0.638 0.000 1.081 632 V CA 1.092 63.111 62.300 -0.469 0.000 1.107 632 V CB 0.299 31.933 31.823 -0.316 0.000 0.808 632 V HN 1.015 nan 8.190 nan 0.000 0.486 633 C N -1.862 116.861 119.300 -0.962 0.000 3.312 633 C HA 0.693 5.152 4.460 -0.001 0.000 0.332 633 C C -1.277 173.529 174.990 -0.306 0.000 1.340 633 C CA -1.354 57.365 59.018 -0.497 0.000 1.265 633 C CB 0.848 28.479 27.740 -0.181 0.000 1.563 633 C HN 0.320 nan 8.230 nan 0.000 0.471 634 F N 1.854 121.810 119.950 0.009 0.000 2.444 634 F HA 0.818 5.345 4.527 -0.000 0.000 0.342 634 F C -0.766 175.012 175.800 -0.038 0.000 1.121 634 F CA -1.048 56.980 58.000 0.046 0.000 0.997 634 F CB 0.882 39.979 39.000 0.162 0.000 1.130 634 F HN 0.693 nan 8.300 nan 0.000 0.454 635 L N 5.967 126.702 121.223 -0.814 0.000 2.309 635 L HA 0.669 5.008 4.340 -0.001 0.000 0.282 635 L C -0.171 175.962 176.870 -1.229 0.000 1.036 635 L CA -0.490 53.936 54.840 -0.690 0.000 0.806 635 L CB 1.683 43.538 42.059 -0.339 0.000 1.220 635 L HN 0.796 nan 8.230 nan 0.000 0.429 636 S N 1.083 116.376 115.700 -0.678 0.000 2.720 636 S HA 0.632 5.102 4.470 -0.001 0.000 0.287 636 S C 0.678 175.267 174.600 -0.017 0.000 1.168 636 S CA -0.137 57.728 58.200 -0.558 0.000 0.832 636 S CB 1.423 64.502 63.200 -0.200 0.000 1.166 636 S HN 0.610 nan 8.310 nan 0.000 0.493 637 A N 0.782 123.673 122.820 0.119 0.000 1.997 637 A HA -0.135 4.185 4.320 -0.001 0.000 0.221 637 A C 1.513 179.171 177.584 0.123 0.000 1.172 637 A CA 2.196 54.358 52.037 0.210 0.000 0.645 637 A CB -1.301 17.781 19.000 0.138 0.000 0.813 637 A HN 0.825 nan 8.150 nan 0.000 0.454 638 D N 0.127 120.574 120.400 0.078 0.000 2.310 638 D HA -0.084 4.556 4.640 -0.001 0.000 0.212 638 D C 0.884 177.224 176.300 0.068 0.000 0.965 638 D CA 0.949 54.986 54.000 0.062 0.000 0.879 638 D CB -0.290 40.542 40.800 0.053 0.000 0.921 638 D HN 0.490 nan 8.370 nan 0.000 0.510 639 D N 0.163 120.613 120.400 0.083 0.000 2.347 639 D HA 0.027 4.667 4.640 -0.001 0.000 0.213 639 D C 0.855 177.224 176.300 0.114 0.000 0.985 639 D CA 0.030 54.090 54.000 0.101 0.000 0.879 639 D CB 0.881 41.736 40.800 0.091 0.000 0.919 639 D HN 0.266 nan 8.370 nan 0.000 0.526 640 I N 3.384 124.004 120.570 0.082 0.000 2.517 640 I HA -0.023 4.147 4.170 -0.001 0.000 0.285 640 I C -0.922 175.173 176.117 -0.036 0.000 1.106 640 I CA -1.022 60.279 61.300 0.002 0.000 1.402 640 I CB 1.160 39.145 38.000 -0.025 0.000 1.399 640 I HN -0.157 nan 8.210 nan 0.000 0.535 641 P HA 0.047 nan 4.420 nan 0.000 0.230 641 P C 0.942 178.170 177.300 -0.120 0.000 1.168 641 P CA 0.665 63.690 63.100 -0.125 0.000 0.793 641 P CB 0.573 32.095 31.700 -0.297 0.000 0.851 642 G N -0.466 108.247 108.800 -0.146 0.000 2.598 642 G HA2 0.235 4.195 3.960 -0.001 0.000 0.225 642 G HA3 0.235 4.195 3.960 -0.001 0.000 0.225 642 G C -0.237 174.610 174.900 -0.087 0.000 1.631 642 G CA 0.293 45.323 45.100 -0.116 0.000 0.821 642 G HN 0.373 nan 8.290 nan 0.000 0.610 643 S N -0.773 114.868 115.700 -0.100 0.000 2.536 643 S HA 0.385 4.854 4.470 -0.001 0.000 0.271 643 S C -0.522 174.015 174.600 -0.104 0.000 1.134 643 S CA -0.598 57.549 58.200 -0.087 0.000 0.897 643 S CB 1.791 64.937 63.200 -0.090 0.000 1.094 643 S HN 0.200 nan 8.310 nan 0.000 0.473 644 N N 2.597 121.249 118.700 -0.080 0.000 2.322 644 N HA 0.169 4.909 4.740 -0.001 0.000 0.194 644 N C -0.542 174.912 175.510 -0.092 0.000 1.126 644 N CA 0.119 53.118 53.050 -0.085 0.000 0.845 644 N CB 0.284 38.751 38.487 -0.032 0.000 0.976 644 N HN 0.675 nan 8.380 nan 0.000 0.475 645 E N -0.244 119.894 120.200 -0.104 0.000 2.134 645 E HA 0.286 4.636 4.350 -0.001 0.000 0.278 645 E C -0.590 175.890 176.600 -0.200 0.000 0.959 645 E CA -0.248 56.085 56.400 -0.112 0.000 0.783 645 E CB 1.666 31.317 29.700 -0.081 0.000 1.095 645 E HN 0.019 nan 8.360 nan 0.000 0.399 646 T N 1.366 115.777 114.554 -0.239 0.000 2.681 646 T HA 0.727 5.076 4.350 -0.001 0.000 0.296 646 T C -0.774 173.669 174.700 -0.427 0.000 1.157 646 T CA 0.315 62.144 62.100 -0.451 0.000 1.025 646 T CB 1.436 70.041 68.868 -0.438 0.000 1.441 646 T HN 0.800 nan 8.240 nan 0.000 0.504 647 G N 0.602 108.993 108.800 -0.681 0.000 2.712 647 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.686 647 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.686 647 G C 0.317 175.129 174.900 -0.147 0.000 1.321 647 G CA -0.128 44.816 45.100 -0.260 0.000 0.813 647 G HN 1.039 nan 8.290 nan 0.000 0.599 648 L N 0.169 121.466 121.223 0.124 0.000 2.043 648 L HA 0.130 4.470 4.340 -0.001 0.000 0.212 648 L C 2.121 178.739 176.870 -0.420 0.000 1.075 648 L CA 2.548 57.372 54.840 -0.027 0.000 0.752 648 L CB -0.424 41.592 42.059 -0.072 0.000 0.891 648 L HN 0.568 nan 8.230 nan 0.000 0.432 649 F N -0.898 119.072 119.950 0.034 0.000 2.708 649 F HA 0.271 4.798 4.527 -0.000 0.000 0.300 649 F C 1.033 176.815 175.800 -0.030 0.000 1.118 649 F CA -0.451 57.549 58.000 -0.000 0.000 1.307 649 F CB -0.221 38.765 39.000 -0.023 0.000 0.986 649 F HN 0.021 nan 8.300 nan 0.000 0.522 650 N N 1.649 120.351 118.700 0.002 0.000 2.725 650 N HA -0.190 4.550 4.740 -0.001 0.000 0.249 650 N C -0.109 175.401 175.510 -0.001 0.000 1.103 650 N CA 1.280 54.302 53.050 -0.046 0.000 0.707 650 N CB -0.973 37.494 38.487 -0.033 0.000 1.043 650 N HN 0.546 nan 8.380 nan 0.000 0.553 651 D N -1.205 119.208 120.400 0.023 0.000 2.501 651 D HA 0.138 4.778 4.640 -0.001 0.000 0.224 651 D C 0.134 176.453 176.300 0.032 0.000 1.202 651 D CA 0.094 54.118 54.000 0.041 0.000 0.829 651 D CB 0.238 41.073 40.800 0.059 0.000 1.023 651 D HN 0.358 nan 8.370 nan 0.000 0.499 652 E N -0.022 120.179 120.200 0.001 0.000 2.299 652 E HA 0.484 4.834 4.350 -0.001 0.000 0.265 652 E C -0.411 176.194 176.600 0.008 0.000 0.911 652 E CA -0.945 55.467 56.400 0.020 0.000 0.789 652 E CB 1.729 31.429 29.700 -0.001 0.000 1.246 652 E HN 0.126 nan 8.360 nan 0.000 0.427 653 T N -1.965 112.633 114.554 0.072 0.000 2.907 653 T HA 0.234 4.584 4.350 -0.001 0.000 0.284 653 T C 1.092 175.778 174.700 -0.024 0.000 1.004 653 T CA -0.828 61.292 62.100 0.033 0.000 1.063 653 T CB 1.332 70.251 68.868 0.085 0.000 0.992 653 T HN 0.166 nan 8.240 nan 0.000 0.483 654 V N 0.784 120.618 119.914 -0.132 0.000 2.270 654 V HA 0.102 4.221 4.120 -0.001 0.000 0.245 654 V C 0.452 176.364 176.094 -0.304 0.000 1.043 654 V CA 1.200 63.319 62.300 -0.301 0.000 1.014 654 V CB -0.700 30.836 31.823 -0.477 0.000 0.645 654 V HN 0.860 nan 8.190 nan 0.000 0.447 655 F N -0.833 119.090 119.950 -0.045 0.000 2.518 655 F HA 0.693 5.220 4.527 -0.001 0.000 0.323 655 F C 0.346 176.092 175.800 -0.089 0.000 1.129 655 F CA -0.968 56.989 58.000 -0.072 0.000 0.920 655 F CB 1.215 40.168 39.000 -0.078 0.000 1.160 655 F HN 0.038 nan 8.300 nan 0.000 0.440 656 A N 3.556 126.383 122.820 0.012 0.000 2.531 656 A HA 0.123 4.443 4.320 -0.001 0.000 0.236 656 A C 0.808 178.397 177.584 0.008 0.000 1.062 656 A CA 0.111 52.081 52.037 -0.112 0.000 0.760 656 A CB 0.637 19.397 19.000 -0.401 0.000 0.995 656 A HN 1.012 nan 8.150 nan 0.000 0.501 657 K N 0.126 120.547 120.400 0.035 0.000 2.267 657 K HA 0.072 4.391 4.320 -0.001 0.000 0.213 657 K C 0.441 177.066 176.600 0.043 0.000 1.060 657 K CA 0.853 57.168 56.287 0.047 0.000 0.935 657 K CB 0.311 32.843 32.500 0.053 0.000 1.096 657 K HN 0.676 nan 8.250 nan 0.000 0.468 658 D N -0.072 120.362 120.400 0.056 0.000 2.422 658 D HA 0.038 4.677 4.640 -0.001 0.000 0.218 658 D C -0.035 176.310 176.300 0.075 0.000 1.047 658 D CA 0.686 54.719 54.000 0.054 0.000 0.885 658 D CB 1.090 41.921 40.800 0.051 0.000 1.035 658 D HN 0.396 nan 8.370 nan 0.000 0.502 659 T N -0.863 113.757 114.554 0.111 0.000 2.909 659 T HA 0.562 4.912 4.350 -0.001 0.000 0.299 659 T C -0.186 174.654 174.700 0.235 0.000 1.073 659 T CA -0.934 61.267 62.100 0.168 0.000 0.999 659 T CB 2.472 71.456 68.868 0.193 0.000 1.098 659 T HN -0.117 nan 8.240 nan 0.000 0.477 660 V N 0.378 120.474 119.914 0.303 0.000 2.532 660 V HA 0.832 4.952 4.120 -0.001 0.000 0.295 660 V C 0.687 177.058 176.094 0.462 0.000 1.041 660 V CA -0.092 62.480 62.300 0.455 0.000 0.926 660 V CB 1.139 33.184 31.823 0.371 0.000 0.992 660 V HN 1.238 nan 8.190 nan 0.000 0.457 661 T N -1.172 113.625 114.554 0.405 0.000 3.170 661 T HA 0.395 4.744 4.350 -0.001 0.000 0.288 661 T C 0.192 174.849 174.700 -0.072 0.000 0.992 661 T CA 0.363 62.492 62.100 0.049 0.000 0.909 661 T CB -0.690 68.120 68.868 -0.097 0.000 1.133 661 T HN 1.663 nan 8.240 nan 0.000 0.530 662 C N -0.732 118.572 119.300 0.007 0.000 3.307 662 C HA 0.783 5.243 4.460 -0.001 0.000 0.333 662 C C -0.407 174.634 174.990 0.084 0.000 1.291 662 C CA -1.188 57.836 59.018 0.009 0.000 1.273 662 C CB 0.930 28.643 27.740 -0.045 0.000 1.580 662 C HN 0.151 nan 8.230 nan 0.000 0.481 663 V N 2.789 122.738 119.914 0.058 0.000 2.529 663 V HA 0.520 4.639 4.120 -0.001 0.000 0.292 663 V C 1.562 177.716 176.094 0.099 0.000 1.028 663 V CA 2.376 64.716 62.300 0.067 0.000 1.074 663 V CB 0.390 32.238 31.823 0.041 0.000 0.958 663 V HN 2.227 nan 8.190 nan 0.000 0.481 664 G N 3.139 112.014 108.800 0.126 0.000 2.213 664 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.226 664 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.226 664 G C 0.288 175.307 174.900 0.199 0.000 0.992 664 G CA 0.218 45.400 45.100 0.138 0.000 0.632 664 G HN 0.893 nan 8.290 nan 0.000 0.511 665 H N 0.845 119.973 119.070 0.098 0.000 3.107 665 H HA 0.320 4.876 4.556 -0.001 0.000 0.301 665 H C 0.781 176.190 175.328 0.136 0.000 0.981 665 H CA -0.378 55.737 56.048 0.111 0.000 1.443 665 H CB 0.167 29.999 29.762 0.117 0.000 1.479 665 H HN 0.277 nan 8.280 nan 0.000 0.564 666 I N 7.427 128.148 120.570 0.251 0.000 2.505 666 I HA -0.146 4.024 4.170 -0.001 0.000 0.287 666 I C 1.006 177.175 176.117 0.085 0.000 1.104 666 I CA 0.344 61.749 61.300 0.176 0.000 1.387 666 I CB 0.621 38.763 38.000 0.237 0.000 1.404 666 I HN 0.690 nan 8.210 nan 0.000 0.528 667 I N 4.810 125.421 120.570 0.069 0.000 2.927 667 I HA 0.235 4.404 4.170 -0.001 0.000 0.268 667 I C 1.262 177.284 176.117 -0.159 0.000 1.153 667 I CA 0.384 61.689 61.300 0.009 0.000 1.459 667 I CB 0.112 38.148 38.000 0.060 0.000 1.149 667 I HN 0.764 nan 8.210 nan 0.000 0.443 668 G N 0.075 108.685 108.800 -0.317 0.000 2.435 668 G HA2 0.719 4.678 3.960 -0.001 0.000 0.296 668 G HA3 0.719 4.678 3.960 -0.001 0.000 0.296 668 G C -2.061 172.448 174.900 -0.652 0.000 1.240 668 G CA 0.142 44.581 45.100 -1.101 0.000 0.872 668 G HN 0.210 nan 8.290 nan 0.000 0.480 669 A N -1.337 121.021 122.820 -0.769 0.000 2.574 669 A HA 0.761 5.081 4.320 -0.001 0.000 0.297 669 A C -1.290 176.198 177.584 -0.160 0.000 1.062 669 A CA -0.411 51.479 52.037 -0.245 0.000 0.686 669 A CB 1.698 20.658 19.000 -0.067 0.000 1.285 669 A HN 1.521 nan 8.150 nan 0.000 0.403 670 V N 1.314 121.271 119.914 0.071 0.000 2.532 670 V HA 0.578 4.698 4.120 -0.001 0.000 0.295 670 V C -0.236 175.863 176.094 0.009 0.000 1.041 670 V CA -0.445 61.929 62.300 0.123 0.000 0.926 670 V CB 1.637 33.627 31.823 0.278 0.000 0.992 670 V HN 0.701 nan 8.190 nan 0.000 0.457 671 V N 3.493 123.333 119.914 -0.124 0.000 2.495 671 V HA 0.941 5.061 4.120 -0.001 0.000 0.298 671 V C 0.187 176.181 176.094 -0.167 0.000 1.031 671 V CA -0.159 62.073 62.300 -0.114 0.000 0.871 671 V CB 1.382 33.115 31.823 -0.150 0.000 0.988 671 V HN 1.106 nan 8.190 nan 0.000 0.432 672 A N 2.815 125.640 122.820 0.009 0.000 2.583 672 A HA 0.693 5.013 4.320 -0.001 0.000 0.289 672 A C 0.338 178.040 177.584 0.197 0.000 1.151 672 A CA -0.028 52.052 52.037 0.072 0.000 0.695 672 A CB 1.479 20.582 19.000 0.172 0.000 1.290 672 A HN 0.754 nan 8.150 nan 0.000 0.419 673 D N -0.403 120.130 120.400 0.222 0.000 2.347 673 D HA 0.060 4.700 4.640 -0.001 0.000 0.213 673 D C 0.607 177.089 176.300 0.304 0.000 0.985 673 D CA 1.555 55.718 54.000 0.271 0.000 0.879 673 D CB -0.128 40.797 40.800 0.209 0.000 0.919 673 D HN 0.748 nan 8.370 nan 0.000 0.526 674 T N -4.652 109.973 114.554 0.118 0.000 2.883 674 T HA 0.410 4.760 4.350 -0.001 0.000 0.301 674 T C -2.419 172.009 174.700 -0.453 0.000 1.158 674 T CA -1.535 60.331 62.100 -0.389 0.000 1.007 674 T CB 2.629 71.241 68.868 -0.428 0.000 1.186 674 T HN -0.373 nan 8.240 nan 0.000 0.499 675 P HA -0.044 nan 4.420 nan 0.000 0.218 675 P C 0.970 178.175 177.300 -0.158 0.000 1.149 675 P CA 1.153 64.039 63.100 -0.357 0.000 0.817 675 P CB 0.207 31.685 31.700 -0.370 0.000 0.785 676 E N -1.065 119.000 120.200 -0.226 0.000 2.072 676 E HA -0.183 4.167 4.350 -0.001 0.000 0.191 676 E C 2.175 178.775 176.600 -0.001 0.000 0.985 676 E CA 1.113 57.436 56.400 -0.129 0.000 0.801 676 E CB -0.873 28.699 29.700 -0.214 0.000 0.750 676 E HN 0.393 nan 8.360 nan 0.000 0.452 677 H N -0.170 118.900 119.070 0.000 0.000 2.389 677 H HA 0.083 4.639 4.556 -0.001 0.000 0.299 677 H C 1.958 177.342 175.328 0.094 0.000 1.081 677 H CA 1.278 57.360 56.048 0.056 0.000 1.345 677 H CB -0.603 29.199 29.762 0.066 0.000 1.393 677 H HN 0.227 nan 8.280 nan 0.000 0.520 678 A N 0.924 123.861 122.820 0.195 0.000 1.902 678 A HA -0.206 4.114 4.320 -0.001 0.000 0.217 678 A C 2.396 180.052 177.584 0.119 0.000 1.181 678 A CA 1.771 53.906 52.037 0.163 0.000 0.623 678 A CB -0.430 18.660 19.000 0.149 0.000 0.818 678 A HN 0.529 nan 8.150 nan 0.000 0.443 679 E N -0.284 119.969 120.200 0.089 0.000 2.031 679 E HA -0.226 4.124 4.350 -0.001 0.000 0.193 679 E C 2.306 178.979 176.600 0.122 0.000 0.994 679 E CA 1.141 57.574 56.400 0.056 0.000 0.800 679 E CB -0.151 29.603 29.700 0.090 0.000 0.752 679 E HN 0.561 nan 8.360 nan 0.000 0.447 680 R N -0.093 120.519 120.500 0.187 0.000 2.083 680 R HA -0.161 4.179 4.340 -0.001 0.000 0.237 680 R C 2.406 178.810 176.300 0.173 0.000 1.137 680 R CA 1.281 57.507 56.100 0.209 0.000 0.951 680 R CB -0.367 30.046 30.300 0.188 0.000 0.851 680 R HN 0.214 nan 8.270 nan 0.000 0.434 681 A N 1.040 123.961 122.820 0.168 0.000 1.897 681 A HA -0.034 4.286 4.320 -0.001 0.000 0.215 681 A C 2.372 180.033 177.584 0.128 0.000 1.181 681 A CA 1.441 53.575 52.037 0.161 0.000 0.620 681 A CB -0.532 18.666 19.000 0.330 0.000 0.821 681 A HN 0.391 nan 8.150 nan 0.000 0.443 682 A N -0.998 121.883 122.820 0.102 0.000 1.908 682 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 682 A C 2.036 179.624 177.584 0.006 0.000 1.181 682 A CA 1.730 53.791 52.037 0.040 0.000 0.627 682 A CB -0.958 18.015 19.000 -0.045 0.000 0.818 682 A HN 0.635 nan 8.150 nan 0.000 0.445 683 H N -0.577 118.537 119.070 0.074 0.000 2.456 683 H HA -0.059 4.496 4.556 -0.000 0.000 0.296 683 H C 1.943 177.287 175.328 0.027 0.000 1.079 683 H CA 1.902 57.981 56.048 0.053 0.000 1.322 683 H CB -0.202 29.590 29.762 0.050 0.000 1.388 683 H HN 0.486 nan 8.280 nan 0.000 0.538 684 V N -1.531 118.456 119.914 0.122 0.000 3.444 684 V HA 0.202 4.321 4.120 -0.001 0.000 0.308 684 V C 0.840 176.914 176.094 -0.032 0.000 1.371 684 V CA -0.223 62.099 62.300 0.035 0.000 1.141 684 V CB -0.333 31.493 31.823 0.005 0.000 1.037 684 V HN -0.142 nan 8.190 nan 0.000 0.433 685 V N 2.392 122.283 119.914 -0.038 0.000 2.470 685 V HA 0.207 4.326 4.120 -0.001 0.000 0.276 685 V C 0.446 176.478 176.094 -0.103 0.000 1.040 685 V CA 0.105 62.325 62.300 -0.132 0.000 1.008 685 V CB 0.910 32.631 31.823 -0.170 0.000 0.990 685 V HN 0.573 nan 8.190 nan 0.000 0.477 686 K N 4.916 125.234 120.400 -0.136 0.000 2.263 686 K HA 0.562 4.882 4.320 -0.001 0.000 0.272 686 K C -1.155 175.355 176.600 -0.149 0.000 1.033 686 K CA -0.458 55.770 56.287 -0.099 0.000 0.884 686 K CB 1.365 33.816 32.500 -0.081 0.000 1.107 686 K HN 0.510 nan 8.250 nan 0.000 0.460 687 V N 3.529 123.352 119.914 -0.151 0.000 2.435 687 V HA 0.299 4.419 4.120 -0.001 0.000 0.290 687 V C -0.194 175.664 176.094 -0.393 0.000 1.030 687 V CA -0.770 61.338 62.300 -0.320 0.000 0.881 687 V CB 1.749 33.317 31.823 -0.425 0.000 0.983 687 V HN 0.802 nan 8.190 nan 0.000 0.445 688 T N 4.613 118.934 114.554 -0.388 0.000 2.829 688 T HA 0.698 5.047 4.350 -0.001 0.000 0.282 688 T C -0.933 173.561 174.700 -0.344 0.000 0.990 688 T CA -0.198 61.753 62.100 -0.250 0.000 1.028 688 T CB 0.756 69.555 68.868 -0.115 0.000 0.951 688 T HN 0.457 nan 8.240 nan 0.000 0.460 689 Y N 0.602 120.902 120.300 0.001 0.000 2.598 689 Y HA 0.570 5.119 4.550 -0.000 0.000 0.340 689 Y C 0.406 176.302 175.900 -0.005 0.000 1.038 689 Y CA -1.284 56.818 58.100 0.003 0.000 1.100 689 Y CB 1.658 40.125 38.460 0.012 0.000 1.281 689 Y HN 0.578 nan 8.280 nan 0.000 0.488 690 E N 1.655 121.956 120.200 0.169 0.000 2.220 690 E HA 0.224 4.573 4.350 -0.001 0.000 0.256 690 E C -1.577 175.049 176.600 0.042 0.000 0.881 690 E CA -0.823 55.623 56.400 0.077 0.000 0.766 690 E CB 0.800 30.521 29.700 0.034 0.000 1.187 690 E HN 0.570 nan 8.360 nan 0.000 0.419 691 D N 3.434 123.845 120.400 0.018 0.000 2.423 691 D HA 0.180 4.820 4.640 -0.001 0.000 0.238 691 D C -0.109 176.143 176.300 -0.081 0.000 1.142 691 D CA 0.518 54.500 54.000 -0.030 0.000 0.884 691 D CB 0.756 41.541 40.800 -0.025 0.000 1.199 691 D HN 0.399 nan 8.370 nan 0.000 0.438 692 L N 2.456 123.581 121.223 -0.163 0.000 2.323 692 L HA 0.424 4.764 4.340 -0.001 0.000 0.265 692 L C -2.220 174.594 176.870 -0.092 0.000 1.012 692 L CA -2.119 52.575 54.840 -0.243 0.000 0.820 692 L CB 1.753 43.402 42.059 -0.683 0.000 1.334 692 L HN 0.125 nan 8.230 nan 0.000 0.427 693 P HA 0.166 nan 4.420 nan 0.000 0.267 693 P C -1.108 176.288 177.300 0.161 0.000 1.205 693 P CA -0.050 63.081 63.100 0.052 0.000 0.765 693 P CB 0.768 32.487 31.700 0.032 0.000 0.828 694 A N 3.694 126.568 122.820 0.090 0.000 2.337 694 A HA 0.753 5.073 4.320 -0.001 0.000 0.331 694 A C -0.614 176.959 177.584 -0.019 0.000 1.137 694 A CA -0.774 51.302 52.037 0.066 0.000 0.807 694 A CB 0.811 19.842 19.000 0.052 0.000 1.250 694 A HN 0.489 nan 8.150 nan 0.000 0.468 695 I N 2.714 123.241 120.570 -0.071 0.000 2.411 695 I HA 0.260 4.430 4.170 -0.001 0.000 0.284 695 I C -0.112 175.934 176.117 -0.118 0.000 1.012 695 I CA -0.270 60.967 61.300 -0.105 0.000 1.119 695 I CB 1.426 39.340 38.000 -0.144 0.000 1.261 695 I HN 0.575 nan 8.210 nan 0.000 0.448 696 I N 2.633 123.136 120.570 -0.113 0.000 3.443 696 I HA 0.055 4.224 4.170 -0.001 0.000 0.277 696 I C 1.379 177.410 176.117 -0.144 0.000 1.169 696 I CA 0.859 62.078 61.300 -0.137 0.000 1.419 696 I CB -0.219 37.704 38.000 -0.130 0.000 1.331 696 I HN 0.503 nan 8.210 nan 0.000 0.458 697 T N -0.876 113.606 114.554 -0.120 0.000 2.899 697 T HA 0.476 4.826 4.350 -0.001 0.000 0.284 697 T C 1.446 176.096 174.700 -0.083 0.000 1.004 697 T CA -0.447 61.590 62.100 -0.105 0.000 1.043 697 T CB 1.913 70.717 68.868 -0.107 0.000 1.013 697 T HN 0.039 nan 8.240 nan 0.000 0.518 698 I N 0.737 121.284 120.570 -0.040 0.000 2.163 698 I HA -0.194 3.976 4.170 -0.001 0.000 0.243 698 I C 2.602 178.671 176.117 -0.081 0.000 1.085 698 I CA 1.554 62.846 61.300 -0.013 0.000 1.347 698 I CB -0.416 37.633 38.000 0.082 0.000 1.044 698 I HN 0.726 nan 8.210 nan 0.000 0.408 699 E N 0.989 121.132 120.200 -0.096 0.000 2.049 699 E HA -0.257 4.093 4.350 -0.001 0.000 0.198 699 E C 1.811 178.344 176.600 -0.112 0.000 1.007 699 E CA 1.642 57.975 56.400 -0.111 0.000 0.809 699 E CB -0.377 29.266 29.700 -0.095 0.000 0.749 699 E HN 0.405 nan 8.360 nan 0.000 0.450 700 D N -0.013 120.323 120.400 -0.107 0.000 2.116 700 D HA -0.209 4.431 4.640 -0.001 0.000 0.193 700 D C 1.857 178.062 176.300 -0.158 0.000 0.998 700 D CA 1.761 55.692 54.000 -0.115 0.000 0.836 700 D CB -0.487 40.248 40.800 -0.108 0.000 0.951 700 D HN 0.242 nan 8.370 nan 0.000 0.449 701 A N 0.583 123.293 122.820 -0.184 0.000 1.902 701 A HA -0.149 4.171 4.320 -0.001 0.000 0.217 701 A C 2.448 179.790 177.584 -0.404 0.000 1.181 701 A CA 1.032 52.890 52.037 -0.299 0.000 0.623 701 A CB -0.728 18.120 19.000 -0.254 0.000 0.818 701 A HN 0.213 nan 8.150 nan 0.000 0.443 702 I N -0.462 119.974 120.570 -0.222 0.000 2.142 702 I HA -0.276 3.894 4.170 -0.001 0.000 0.240 702 I C 2.546 178.603 176.117 -0.100 0.000 1.078 702 I CA 1.913 63.159 61.300 -0.089 0.000 1.343 702 I CB -0.281 37.659 38.000 -0.100 0.000 1.046 702 I HN 0.368 nan 8.210 nan 0.000 0.405 703 K N 0.862 121.196 120.400 -0.110 0.000 2.211 703 K HA -0.172 4.148 4.320 -0.001 0.000 0.204 703 K C 1.284 177.825 176.600 -0.099 0.000 1.047 703 K CA 1.368 57.606 56.287 -0.082 0.000 0.935 703 K CB -0.007 32.448 32.500 -0.074 0.000 0.728 703 K HN 0.375 nan 8.250 nan 0.000 0.452 704 N N 0.947 119.549 118.700 -0.164 0.000 2.236 704 N HA 0.002 4.742 4.740 -0.001 0.000 0.196 704 N C -0.714 174.659 175.510 -0.228 0.000 1.114 704 N CA 0.164 53.111 53.050 -0.170 0.000 0.859 704 N CB 0.301 38.684 38.487 -0.174 0.000 0.982 704 N HN 0.190 nan 8.380 nan 0.000 0.493 705 N N 0.282 118.798 118.700 -0.305 0.000 2.727 705 N HA -0.181 4.559 4.740 -0.001 0.000 0.249 705 N C -0.734 174.382 175.510 -0.658 0.000 1.048 705 N CA 0.429 53.243 53.050 -0.393 0.000 0.714 705 N CB -1.119 37.351 38.487 -0.028 0.000 0.959 705 N HN 0.002 nan 8.380 nan 0.000 0.544 706 S N 0.645 115.800 115.700 -0.909 0.000 2.955 706 S HA 0.507 4.977 4.470 -0.001 0.000 0.294 706 S C -0.616 173.482 174.600 -0.837 0.000 1.198 706 S CA -0.509 57.289 58.200 -0.669 0.000 1.008 706 S CB -0.223 62.698 63.200 -0.465 0.000 1.279 706 S HN 0.294 nan 8.310 nan 0.000 0.508 707 F N 2.514 122.350 119.950 -0.190 0.000 2.577 707 F HA 0.460 4.987 4.527 -0.001 0.000 0.318 707 F C -0.526 175.124 175.800 -0.250 0.000 1.065 707 F CA -1.329 56.556 58.000 -0.190 0.000 0.929 707 F CB 1.338 40.306 39.000 -0.055 0.000 1.237 707 F HN 0.294 nan 8.300 nan 0.000 0.468 708 Y N 1.376 121.789 120.300 0.189 0.000 2.350 708 Y HA 0.481 5.030 4.550 -0.000 0.000 0.340 708 Y C 0.907 176.841 175.900 0.056 0.000 1.006 708 Y CA 0.162 58.309 58.100 0.078 0.000 1.166 708 Y CB 0.789 39.267 38.460 0.030 0.000 1.168 708 Y HN 0.902 nan 8.280 nan 0.000 0.502 709 G N 2.154 111.060 108.800 0.175 0.000 2.569 709 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.259 709 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.259 709 G C -0.324 174.609 174.900 0.055 0.000 1.263 709 G CA -0.250 44.899 45.100 0.081 0.000 0.928 709 G HN 1.022 nan 8.290 nan 0.000 0.572 710 S N -1.060 114.645 115.700 0.009 0.000 2.726 710 S HA 0.688 5.158 4.470 -0.001 0.000 0.308 710 S C -0.066 174.483 174.600 -0.085 0.000 1.115 710 S CA 0.347 58.528 58.200 -0.032 0.000 0.965 710 S CB 2.137 65.324 63.200 -0.022 0.000 1.145 710 S HN 1.130 nan 8.310 nan 0.000 0.532 711 E N 0.189 120.315 120.200 -0.123 0.000 2.465 711 E HA 0.155 4.505 4.350 -0.001 0.000 0.260 711 E C -0.955 175.559 176.600 -0.144 0.000 0.980 711 E CA -0.142 56.160 56.400 -0.164 0.000 0.927 711 E CB 0.270 29.882 29.700 -0.146 0.000 0.934 711 E HN 0.502 nan 8.360 nan 0.000 0.459 712 L N 4.487 125.594 121.223 -0.194 0.000 2.357 712 L HA 0.445 4.784 4.340 -0.001 0.000 0.273 712 L C 0.081 176.889 176.870 -0.104 0.000 1.080 712 L CA -0.213 54.486 54.840 -0.235 0.000 0.803 712 L CB 1.109 42.932 42.059 -0.394 0.000 1.174 712 L HN 0.541 nan 8.230 nan 0.000 0.443 713 K N 2.980 123.388 120.400 0.014 0.000 2.557 713 K HA 0.568 4.888 4.320 -0.001 0.000 0.257 713 K C -1.815 174.947 176.600 0.269 0.000 0.933 713 K CA -0.519 55.838 56.287 0.117 0.000 0.820 713 K CB 1.867 34.415 32.500 0.081 0.000 1.330 713 K HN 0.471 nan 8.250 nan 0.000 0.432 714 I N 2.717 123.431 120.570 0.241 0.000 2.436 714 I HA 0.346 4.516 4.170 -0.001 0.000 0.289 714 I C -0.878 175.370 176.117 0.217 0.000 1.010 714 I CA -0.631 60.824 61.300 0.258 0.000 1.098 714 I CB 2.074 40.239 38.000 0.275 0.000 1.266 714 I HN 0.643 nan 8.210 nan 0.000 0.434 715 E N 6.833 127.143 120.200 0.185 0.000 2.275 715 E HA 0.498 4.848 4.350 -0.001 0.000 0.270 715 E C -1.464 175.213 176.600 0.128 0.000 0.882 715 E CA -0.811 55.674 56.400 0.143 0.000 0.758 715 E CB 2.297 32.062 29.700 0.107 0.000 1.195 715 E HN 0.493 nan 8.360 nan 0.000 0.419 716 K N 3.081 123.548 120.400 0.113 0.000 2.464 716 K HA 0.657 4.977 4.320 -0.001 0.000 0.253 716 K C -0.245 176.382 176.600 0.045 0.000 0.933 716 K CA 0.121 56.459 56.287 0.084 0.000 0.801 716 K CB 1.679 34.243 32.500 0.107 0.000 1.271 716 K HN 0.757 nan 8.250 nan 0.000 0.430 717 G N 2.152 110.967 108.800 0.026 0.000 2.527 717 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.227 717 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.227 717 G C -1.379 173.523 174.900 0.002 0.000 1.291 717 G CA 0.023 45.124 45.100 0.001 0.000 0.904 717 G HN 0.668 nan 8.290 nan 0.000 0.577 718 D N 0.336 120.727 120.400 -0.015 0.000 2.421 718 D HA 0.487 5.127 4.640 -0.001 0.000 0.254 718 D C 1.599 177.888 176.300 -0.018 0.000 1.238 718 D CA -0.548 53.449 54.000 -0.006 0.000 0.919 718 D CB 0.832 41.628 40.800 -0.007 0.000 1.152 718 D HN 0.345 nan 8.370 nan 0.000 0.552 719 L N 2.924 124.154 121.223 0.012 0.000 2.046 719 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 719 L C 2.223 179.157 176.870 0.107 0.000 1.077 719 L CA 0.887 55.747 54.840 0.033 0.000 0.747 719 L CB -0.038 42.099 42.059 0.129 0.000 0.896 719 L HN 0.340 nan 8.230 nan 0.000 0.432 720 K N 0.109 120.573 120.400 0.108 0.000 2.009 720 K HA -0.261 4.059 4.320 -0.001 0.000 0.210 720 K C 1.989 178.634 176.600 0.075 0.000 1.049 720 K CA 1.339 57.693 56.287 0.111 0.000 0.929 720 K CB -0.361 32.176 32.500 0.063 0.000 0.714 720 K HN 0.269 nan 8.250 nan 0.000 0.440 721 K N 0.600 121.014 120.400 0.025 0.000 2.026 721 K HA -0.137 4.183 4.320 -0.001 0.000 0.208 721 K C 2.260 178.840 176.600 -0.033 0.000 1.048 721 K CA 1.631 57.917 56.287 -0.003 0.000 0.929 721 K CB -0.421 32.069 32.500 -0.015 0.000 0.713 721 K HN 0.233 nan 8.250 nan 0.000 0.439 722 G N 0.593 109.339 108.800 -0.089 0.000 2.491 722 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.218 722 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.218 722 G C 1.364 176.132 174.900 -0.219 0.000 1.180 722 G CA 0.996 45.971 45.100 -0.207 0.000 0.774 722 G HN 0.325 nan 8.290 nan 0.000 0.562 723 F N 1.176 121.092 119.950 -0.056 0.000 2.293 723 F HA -0.005 4.522 4.527 -0.001 0.000 0.300 723 F C 3.059 178.819 175.800 -0.067 0.000 1.086 723 F CA 0.976 58.935 58.000 -0.069 0.000 1.375 723 F CB 0.102 39.065 39.000 -0.063 0.000 1.045 723 F HN 0.073 nan 8.300 nan 0.000 0.516 724 S N -0.102 115.663 115.700 0.108 0.000 2.419 724 S HA -0.215 4.254 4.470 -0.001 0.000 0.233 724 S C 1.731 176.337 174.600 0.009 0.000 1.016 724 S CA 1.640 59.867 58.200 0.045 0.000 0.974 724 S CB -0.432 62.783 63.200 0.027 0.000 0.786 724 S HN 0.637 nan 8.310 nan 0.000 0.492 725 E N 0.763 120.955 120.200 -0.013 0.000 2.460 725 E HA 0.423 4.773 4.350 -0.001 0.000 0.200 725 E C 0.513 177.082 176.600 -0.051 0.000 1.011 725 E CA 0.056 56.436 56.400 -0.034 0.000 0.912 725 E CB 0.073 29.748 29.700 -0.043 0.000 0.953 725 E HN 0.293 nan 8.360 nan 0.000 0.494 726 A N 1.765 124.550 122.820 -0.059 0.000 2.488 726 A HA 0.012 4.331 4.320 -0.001 0.000 0.249 726 A C 0.453 177.965 177.584 -0.120 0.000 1.083 726 A CA -0.184 51.792 52.037 -0.103 0.000 0.768 726 A CB 0.284 19.218 19.000 -0.110 0.000 1.017 726 A HN 0.126 nan 8.150 nan 0.000 0.496 727 D N 0.730 121.043 120.400 -0.145 0.000 2.178 727 D HA -0.061 4.579 4.640 -0.001 0.000 0.201 727 D C 0.464 176.632 176.300 -0.221 0.000 0.980 727 D CA 1.525 55.442 54.000 -0.138 0.000 0.842 727 D CB 0.166 40.912 40.800 -0.091 0.000 0.948 727 D HN 0.557 nan 8.370 nan 0.000 0.472 728 N N -1.361 117.073 118.700 -0.444 0.000 2.825 728 N HA 0.318 5.057 4.740 -0.001 0.000 0.253 728 N C -1.707 173.344 175.510 -0.766 0.000 1.426 728 N CA -0.514 52.193 53.050 -0.573 0.000 0.851 728 N CB 2.126 40.249 38.487 -0.607 0.000 1.470 728 N HN -0.318 nan 8.380 nan 0.000 0.517 729 V N 0.324 119.983 119.914 -0.426 0.000 3.007 729 V HA 0.663 4.783 4.120 -0.001 0.000 0.311 729 V C -0.676 175.496 176.094 0.130 0.000 1.120 729 V CA -0.739 61.482 62.300 -0.132 0.000 0.980 729 V CB 2.153 33.948 31.823 -0.045 0.000 1.033 729 V HN 0.385 nan 8.190 nan 0.000 0.429 730 V N 2.210 122.312 119.914 0.314 0.000 2.638 730 V HA 0.783 4.903 4.120 -0.001 0.000 0.306 730 V C -0.230 175.946 176.094 0.137 0.000 1.052 730 V CA -0.292 62.172 62.300 0.273 0.000 0.885 730 V CB 2.149 34.203 31.823 0.385 0.000 0.999 730 V HN 1.078 nan 8.190 nan 0.000 0.424 731 S N 2.823 118.514 115.700 -0.015 0.000 2.570 731 S HA 1.028 5.497 4.470 -0.001 0.000 0.286 731 S C -0.327 174.028 174.600 -0.408 0.000 1.099 731 S CA -0.028 58.027 58.200 -0.242 0.000 0.913 731 S CB 2.405 65.497 63.200 -0.180 0.000 1.085 731 S HN 1.595 nan 8.310 nan 0.000 0.480 732 G N 0.267 108.559 108.800 -0.847 0.000 2.430 732 G HA2 0.506 4.465 3.960 -0.001 0.000 0.300 732 G HA3 0.506 4.465 3.960 -0.001 0.000 0.300 732 G C -2.162 172.418 174.900 -0.534 0.000 1.330 732 G CA -0.684 44.047 45.100 -0.615 0.000 0.813 732 G HN 0.895 nan 8.290 nan 0.000 0.487 733 E N -1.113 119.065 120.200 -0.037 0.000 2.317 733 E HA 0.694 5.044 4.350 -0.001 0.000 0.270 733 E C -1.950 174.865 176.600 0.359 0.000 0.885 733 E CA -0.769 55.740 56.400 0.182 0.000 0.760 733 E CB 2.585 32.356 29.700 0.118 0.000 1.227 733 E HN 0.496 nan 8.360 nan 0.000 0.434 734 L N 3.778 125.252 121.223 0.418 0.000 2.445 734 L HA 0.509 4.848 4.340 -0.001 0.000 0.262 734 L C -2.072 175.067 176.870 0.449 0.000 0.974 734 L CA -0.616 54.471 54.840 0.413 0.000 0.822 734 L CB 1.808 44.085 42.059 0.364 0.000 1.339 734 L HN 0.628 nan 8.230 nan 0.000 0.409 735 Y N 4.877 125.357 120.300 0.299 0.000 2.409 735 Y HA 0.701 5.251 4.550 -0.001 0.000 0.343 735 Y C -1.259 174.806 175.900 0.275 0.000 0.973 735 Y CA -0.897 57.367 58.100 0.273 0.000 1.064 735 Y CB 1.713 40.298 38.460 0.208 0.000 1.207 735 Y HN 0.610 nan 8.280 nan 0.000 0.452 736 I N 5.920 126.285 120.570 -0.342 0.000 2.410 736 I HA 0.611 4.781 4.170 -0.001 0.000 0.286 736 I C 0.195 175.905 176.117 -0.678 0.000 1.009 736 I CA -0.518 60.552 61.300 -0.382 0.000 1.111 736 I CB 0.763 38.633 38.000 -0.217 0.000 1.262 736 I HN 0.857 nan 8.210 nan 0.000 0.443 737 G N 4.620 113.152 108.800 -0.445 0.000 2.614 737 G HA2 0.382 4.341 3.960 -0.001 0.000 0.239 737 G HA3 0.382 4.341 3.960 -0.001 0.000 0.239 737 G C 0.474 175.287 174.900 -0.144 0.000 1.240 737 G CA 0.099 45.083 45.100 -0.193 0.000 0.842 737 G HN 0.851 nan 8.290 nan 0.000 0.584 738 G N -1.198 107.600 108.800 -0.003 0.000 2.486 738 G HA2 0.468 4.428 3.960 -0.001 0.000 0.272 738 G HA3 0.468 4.428 3.960 -0.001 0.000 0.272 738 G C -0.118 174.757 174.900 -0.041 0.000 1.426 738 G CA -0.085 45.014 45.100 -0.003 0.000 1.058 738 G HN 0.756 nan 8.290 nan 0.000 0.531 739 Q N -1.373 118.417 119.800 -0.017 0.000 2.443 739 Q HA 0.221 4.561 4.340 -0.001 0.000 0.258 739 Q C -2.191 173.891 176.000 0.137 0.000 0.967 739 Q CA -0.614 55.195 55.803 0.011 0.000 0.951 739 Q CB 2.136 30.649 28.738 -0.375 0.000 1.459 739 Q HN 0.617 nan 8.270 nan 0.000 0.415 740 D N 0.084 120.556 120.400 0.119 0.000 2.210 740 D HA 0.214 4.854 4.640 -0.001 0.000 0.249 740 D C 0.586 176.940 176.300 0.088 0.000 1.062 740 D CA 0.034 54.007 54.000 -0.045 0.000 0.891 740 D CB 0.922 41.480 40.800 -0.405 0.000 1.186 740 D HN 0.579 nan 8.370 nan 0.000 0.432 741 H N 2.789 121.777 119.070 -0.137 0.000 2.387 741 H HA -0.029 4.527 4.556 -0.000 0.000 0.299 741 H C 0.531 175.638 175.328 -0.367 0.000 1.090 741 H CA 1.063 56.785 56.048 -0.543 0.000 1.332 741 H CB -0.221 29.101 29.762 -0.732 0.000 1.386 741 H HN 0.515 nan 8.280 nan 0.000 0.516 742 F N 0.682 120.359 119.950 -0.454 0.000 3.019 742 F HA -0.292 4.235 4.527 -0.000 0.000 0.259 742 F C -0.619 175.080 175.800 -0.169 0.000 0.976 742 F CA -0.505 57.329 58.000 -0.276 0.000 0.876 742 F CB -1.665 37.318 39.000 -0.028 0.000 0.784 742 F HN 0.153 nan 8.300 nan 0.000 0.786 743 Y N -0.727 119.730 120.300 0.262 0.000 2.811 743 Y HA 0.054 4.604 4.550 -0.000 0.000 0.334 743 Y C 1.126 177.101 175.900 0.125 0.000 1.247 743 Y CA -0.979 57.308 58.100 0.312 0.000 1.526 743 Y CB 0.018 38.574 38.460 0.160 0.000 1.284 743 Y HN 0.091 nan 8.280 nan 0.000 0.586 744 L N 1.215 122.635 121.223 0.328 0.000 2.141 744 L HA -0.075 4.265 4.340 -0.001 0.000 0.209 744 L C 1.063 177.983 176.870 0.083 0.000 1.094 744 L CA 1.376 56.325 54.840 0.183 0.000 0.763 744 L CB -0.602 41.548 42.059 0.151 0.000 0.908 744 L HN 0.862 nan 8.230 nan 0.000 0.437 745 E N 0.808 121.048 120.200 0.066 0.000 2.115 745 E HA 0.159 4.508 4.350 -0.001 0.000 0.282 745 E C -0.065 176.518 176.600 -0.028 0.000 0.987 745 E CA -0.294 56.086 56.400 -0.034 0.000 0.797 745 E CB 1.039 30.669 29.700 -0.117 0.000 1.086 745 E HN 0.221 nan 8.360 nan 0.000 0.397 746 T N 1.481 116.035 114.554 -0.000 0.000 2.732 746 T HA 0.119 4.469 4.350 -0.001 0.000 0.287 746 T C 0.626 175.221 174.700 -0.176 0.000 0.993 746 T CA -0.564 61.541 62.100 0.009 0.000 0.966 746 T CB 0.407 69.336 68.868 0.101 0.000 1.047 746 T HN 0.444 nan 8.240 nan 0.000 0.527 747 H N -0.043 118.948 119.070 -0.132 0.000 2.897 747 H HA 0.360 4.916 4.556 -0.001 0.000 0.347 747 H C 0.322 175.623 175.328 -0.045 0.000 1.068 747 H CA 0.238 56.207 56.048 -0.132 0.000 1.426 747 H CB 0.171 29.888 29.762 -0.075 0.000 1.410 747 H HN 0.927 nan 8.280 nan 0.000 0.597 748 C N 1.037 120.375 119.300 0.062 0.000 3.241 748 C HA 0.595 5.055 4.460 -0.001 0.000 0.348 748 C C -0.350 174.684 174.990 0.073 0.000 1.180 748 C CA -0.951 58.112 59.018 0.075 0.000 1.273 748 C CB 1.221 28.998 27.740 0.062 0.000 1.620 748 C HN 0.768 nan 8.230 nan 0.000 0.510 749 T N 1.914 116.518 114.554 0.083 0.000 2.933 749 T HA 0.661 5.011 4.350 -0.001 0.000 0.305 749 T C -0.977 173.780 174.700 0.095 0.000 1.092 749 T CA -0.265 61.886 62.100 0.086 0.000 1.008 749 T CB 1.303 70.211 68.868 0.066 0.000 1.102 749 T HN 0.690 nan 8.240 nan 0.000 0.469 750 I N 2.233 122.887 120.570 0.140 0.000 2.433 750 I HA 0.707 4.877 4.170 -0.001 0.000 0.292 750 I C -0.068 176.146 176.117 0.161 0.000 1.001 750 I CA -0.855 60.539 61.300 0.158 0.000 1.119 750 I CB 1.633 39.779 38.000 0.245 0.000 1.289 750 I HN 0.708 nan 8.210 nan 0.000 0.438 751 A N 7.686 130.569 122.820 0.106 0.000 2.330 751 A HA 0.789 5.109 4.320 -0.001 0.000 0.313 751 A C -0.802 176.834 177.584 0.087 0.000 1.124 751 A CA -0.460 51.619 52.037 0.071 0.000 0.774 751 A CB 0.859 19.884 19.000 0.041 0.000 1.198 751 A HN 0.515 nan 8.150 nan 0.000 0.465 752 I N 4.479 125.095 120.570 0.078 0.000 2.359 752 I HA 0.324 4.494 4.170 -0.001 0.000 0.284 752 I C -2.498 173.626 176.117 0.011 0.000 1.018 752 I CA -2.609 58.734 61.300 0.072 0.000 1.173 752 I CB 1.108 39.201 38.000 0.155 0.000 1.326 752 I HN 0.355 nan 8.210 nan 0.000 0.462 753 P HA 0.252 nan 4.420 nan 0.000 0.281 753 P C 0.101 177.378 177.300 -0.039 0.000 1.252 753 P CA -0.454 62.643 63.100 -0.005 0.000 0.778 753 P CB 1.498 33.200 31.700 0.005 0.000 0.895 754 K N 1.989 122.373 120.400 -0.028 0.000 2.361 754 K HA 0.122 4.441 4.320 -0.001 0.000 0.196 754 K C 1.498 178.072 176.600 -0.043 0.000 1.039 754 K CA 0.793 57.055 56.287 -0.041 0.000 1.001 754 K CB -0.633 31.851 32.500 -0.026 0.000 0.795 754 K HN 0.836 nan 8.250 nan 0.000 0.495 755 G N 1.655 110.436 108.800 -0.032 0.000 2.176 755 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.253 755 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.253 755 G C -0.247 174.641 174.900 -0.019 0.000 0.979 755 G CA 0.133 45.213 45.100 -0.033 0.000 0.641 755 G HN 0.386 nan 8.290 nan 0.000 0.530 756 E N 0.260 120.453 120.200 -0.011 0.000 2.199 756 E HA 0.494 4.844 4.350 -0.001 0.000 0.265 756 E C 0.280 176.882 176.600 0.003 0.000 0.882 756 E CA -0.795 55.602 56.400 -0.006 0.000 0.759 756 E CB 1.031 30.725 29.700 -0.010 0.000 1.148 756 E HN 0.161 nan 8.360 nan 0.000 0.412 757 E N 1.359 121.564 120.200 0.009 0.000 2.883 757 E HA -0.283 4.066 4.350 -0.001 0.000 0.271 757 E C 0.684 177.295 176.600 0.018 0.000 1.049 757 E CA 1.179 57.586 56.400 0.011 0.000 0.817 757 E CB -1.393 28.309 29.700 0.003 0.000 1.407 757 E HN 1.136 nan 8.360 nan 0.000 0.434 758 G N 0.140 108.960 108.800 0.034 0.000 2.162 758 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.260 758 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.260 758 G C 0.079 174.996 174.900 0.029 0.000 0.976 758 G CA 0.581 45.710 45.100 0.049 0.000 0.655 758 G HN 0.363 nan 8.290 nan 0.000 0.533 759 E N -0.225 119.983 120.200 0.013 0.000 2.414 759 E HA 0.454 4.804 4.350 -0.001 0.000 0.263 759 E C 0.328 176.927 176.600 -0.002 0.000 1.000 759 E CA 0.458 56.858 56.400 -0.002 0.000 0.914 759 E CB 0.668 30.363 29.700 -0.008 0.000 0.948 759 E HN 0.465 nan 8.360 nan 0.000 0.444 760 M N 2.537 122.128 119.600 -0.016 0.000 2.433 760 M HA 0.232 4.711 4.480 -0.001 0.000 0.290 760 M C -1.610 174.654 176.300 -0.061 0.000 1.173 760 M CA -0.469 54.817 55.300 -0.022 0.000 0.905 760 M CB 2.224 34.820 32.600 -0.007 0.000 1.692 760 M HN 0.405 nan 8.290 nan 0.000 0.462 761 E N 3.795 123.944 120.200 -0.085 0.000 2.199 761 E HA 0.608 4.958 4.350 -0.001 0.000 0.265 761 E C -2.082 174.349 176.600 -0.281 0.000 0.882 761 E CA -0.616 55.668 56.400 -0.192 0.000 0.759 761 E CB 1.501 31.096 29.700 -0.176 0.000 1.148 761 E HN 0.607 nan 8.360 nan 0.000 0.412 762 L N 4.560 125.562 121.223 -0.367 0.000 2.346 762 L HA 0.488 4.828 4.340 -0.001 0.000 0.276 762 L C -1.044 175.526 176.870 -0.499 0.000 1.006 762 L CA -0.444 54.217 54.840 -0.299 0.000 0.817 762 L CB 1.231 43.213 42.059 -0.128 0.000 1.272 762 L HN 0.525 nan 8.230 nan 0.000 0.421 763 F N 3.070 123.026 119.950 0.009 0.000 2.411 763 F HA 0.688 5.215 4.527 -0.001 0.000 0.352 763 F C 0.040 175.839 175.800 -0.002 0.000 1.123 763 F CA -0.942 57.058 58.000 0.000 0.000 1.044 763 F CB 1.691 40.693 39.000 0.004 0.000 1.135 763 F HN 0.177 nan 8.300 nan 0.000 0.461 764 V N -0.186 119.797 119.914 0.114 0.000 2.733 764 V HA 0.499 4.618 4.120 -0.001 0.000 0.306 764 V C -0.350 175.758 176.094 0.022 0.000 1.084 764 V CA -0.863 61.469 62.300 0.053 0.000 0.905 764 V CB 1.464 33.291 31.823 0.006 0.000 1.010 764 V HN 0.649 nan 8.190 nan 0.000 0.424 765 S N 3.159 118.858 115.700 -0.001 0.000 3.530 765 S HA 0.497 4.967 4.470 -0.001 0.000 0.279 765 S C 0.046 174.577 174.600 -0.114 0.000 1.280 765 S CA 0.401 58.560 58.200 -0.068 0.000 0.946 765 S CB -0.854 62.278 63.200 -0.113 0.000 1.501 765 S HN 1.262 nan 8.310 nan 0.000 0.498 766 T N 2.938 117.441 114.554 -0.085 0.000 2.900 766 T HA 0.353 4.703 4.350 -0.001 0.000 0.303 766 T C 0.405 175.058 174.700 -0.079 0.000 1.142 766 T CA -0.537 61.514 62.100 -0.082 0.000 1.007 766 T CB 1.704 70.545 68.868 -0.046 0.000 1.156 766 T HN 0.508 nan 8.240 nan 0.000 0.490 767 Q N 1.554 121.313 119.800 -0.068 0.000 2.425 767 Q HA 0.215 4.555 4.340 -0.001 0.000 0.204 767 Q C 0.136 176.124 176.000 -0.019 0.000 0.933 767 Q CA 0.162 55.940 55.803 -0.041 0.000 0.939 767 Q CB 0.281 29.009 28.738 -0.018 0.000 1.044 767 Q HN 0.328 nan 8.270 nan 0.000 0.513 768 N N -0.307 118.370 118.700 -0.039 0.000 2.752 768 N HA 0.251 4.990 4.740 -0.001 0.000 0.260 768 N C -0.286 175.171 175.510 -0.088 0.000 1.562 768 N CA -0.031 52.986 53.050 -0.055 0.000 0.788 768 N CB 0.878 39.324 38.487 -0.068 0.000 1.192 768 N HN 0.080 nan 8.380 nan 0.000 0.503 769 A N 2.413 125.190 122.820 -0.073 0.000 1.933 769 A HA -0.149 4.171 4.320 -0.001 0.000 0.218 769 A C 2.131 179.656 177.584 -0.099 0.000 1.175 769 A CA 1.071 53.059 52.037 -0.082 0.000 0.628 769 A CB -0.300 18.658 19.000 -0.071 0.000 0.814 769 A HN 0.652 nan 8.150 nan 0.000 0.444 770 M N -0.804 118.741 119.600 -0.093 0.000 2.065 770 M HA -0.182 4.298 4.480 -0.001 0.000 0.259 770 M C 1.807 177.999 176.300 -0.181 0.000 1.069 770 M CA 1.890 57.129 55.300 -0.103 0.000 1.110 770 M CB -0.158 32.399 32.600 -0.071 0.000 1.328 770 M HN 0.167 nan 8.290 nan 0.000 0.405 771 K N -0.418 119.816 120.400 -0.277 0.000 2.155 771 K HA -0.042 4.278 4.320 -0.001 0.000 0.203 771 K C 1.873 178.123 176.600 -0.582 0.000 1.052 771 K CA 1.729 57.670 56.287 -0.577 0.000 0.948 771 K CB -0.726 31.337 32.500 -0.729 0.000 0.728 771 K HN 0.443 nan 8.250 nan 0.000 0.448 772 T N 1.819 116.190 114.554 -0.306 0.000 2.652 772 T HA -0.213 4.137 4.350 -0.001 0.000 0.267 772 T C 1.947 176.588 174.700 -0.099 0.000 1.039 772 T CA 1.506 63.510 62.100 -0.161 0.000 1.153 772 T CB -0.130 68.680 68.868 -0.096 0.000 0.863 772 T HN 0.349 nan 8.240 nan 0.000 0.428 773 Q N 0.493 120.230 119.800 -0.105 0.000 2.061 773 Q HA -0.140 4.200 4.340 -0.001 0.000 0.204 773 Q C 2.542 178.522 176.000 -0.033 0.000 0.984 773 Q CA 1.721 57.485 55.803 -0.066 0.000 0.846 773 Q CB -0.215 28.481 28.738 -0.069 0.000 0.902 773 Q HN 0.395 nan 8.270 nan 0.000 0.421 774 S N -0.065 115.606 115.700 -0.049 0.000 2.368 774 S HA -0.099 4.370 4.470 -0.001 0.000 0.225 774 S C 1.528 176.248 174.600 0.201 0.000 1.030 774 S CA 1.008 59.232 58.200 0.040 0.000 0.999 774 S CB -0.251 62.961 63.200 0.019 0.000 0.844 774 S HN 0.362 nan 8.310 nan 0.000 0.459 775 F N 1.155 121.068 119.950 -0.060 0.000 2.206 775 F HA 0.037 4.563 4.527 -0.001 0.000 0.298 775 F C 2.366 178.118 175.800 -0.080 0.000 1.090 775 F CA -0.240 57.719 58.000 -0.069 0.000 1.323 775 F CB -1.336 37.626 39.000 -0.063 0.000 1.028 775 F HN 0.009 nan 8.300 nan 0.000 0.492 776 V N 0.154 120.139 119.914 0.119 0.000 2.295 776 V HA -0.286 3.834 4.120 -0.001 0.000 0.246 776 V C 2.668 178.754 176.094 -0.015 0.000 1.049 776 V CA 1.776 64.089 62.300 0.021 0.000 1.024 776 V CB -1.379 30.443 31.823 -0.001 0.000 0.648 776 V HN 0.304 nan 8.190 nan 0.000 0.447 777 A N -0.338 122.481 122.820 -0.002 0.000 1.902 777 A HA -0.273 4.047 4.320 -0.001 0.000 0.217 777 A C 2.351 179.912 177.584 -0.038 0.000 1.181 777 A CA 2.233 54.255 52.037 -0.024 0.000 0.623 777 A CB -0.478 18.514 19.000 -0.014 0.000 0.818 777 A HN 0.539 nan 8.150 nan 0.000 0.443 778 K N -1.015 119.376 120.400 -0.015 0.000 2.025 778 K HA -0.129 4.191 4.320 -0.001 0.000 0.207 778 K C 2.161 178.708 176.600 -0.088 0.000 1.049 778 K CA 1.521 57.782 56.287 -0.044 0.000 0.933 778 K CB -0.249 32.229 32.500 -0.037 0.000 0.714 778 K HN 0.424 nan 8.250 nan 0.000 0.438 779 M N 1.242 120.782 119.600 -0.101 0.000 2.108 779 M HA -0.162 4.318 4.480 -0.001 0.000 0.261 779 M C 1.757 177.953 176.300 -0.173 0.000 1.066 779 M CA 1.631 56.845 55.300 -0.143 0.000 1.107 779 M CB -0.430 32.078 32.600 -0.154 0.000 1.356 779 M HN 0.248 nan 8.290 nan 0.000 0.406 780 L N -0.161 120.955 121.223 -0.178 0.000 2.291 780 L HA 0.025 4.364 4.340 -0.001 0.000 0.214 780 L C 1.320 178.061 176.870 -0.216 0.000 1.120 780 L CA 0.640 55.322 54.840 -0.265 0.000 0.799 780 L CB -0.847 41.080 42.059 -0.219 0.000 0.925 780 L HN 0.657 nan 8.230 nan 0.000 0.446 781 G N 1.085 109.804 108.800 -0.135 0.000 2.256 781 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.272 781 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.272 781 G C -0.019 174.837 174.900 -0.072 0.000 1.076 781 G CA 0.301 45.344 45.100 -0.095 0.000 0.882 781 G HN 0.316 nan 8.290 nan 0.000 0.497 782 V N -3.609 116.266 119.914 -0.064 0.000 3.001 782 V HA 0.954 5.074 4.120 -0.001 0.000 0.314 782 V C -2.117 173.957 176.094 -0.033 0.000 1.099 782 V CA -2.897 59.377 62.300 -0.043 0.000 0.989 782 V CB 2.032 33.832 31.823 -0.038 0.000 1.040 782 V HN 0.062 nan 8.190 nan 0.000 0.434 783 P HA 0.221 nan 4.420 nan 0.000 0.269 783 P C 1.024 178.311 177.300 -0.022 0.000 1.215 783 P CA -0.093 62.994 63.100 -0.022 0.000 0.780 783 P CB 0.813 32.502 31.700 -0.019 0.000 0.898 784 V N 1.543 121.444 119.914 -0.021 0.000 2.490 784 V HA -0.251 3.869 4.120 -0.001 0.000 0.250 784 V C 1.949 178.029 176.094 -0.024 0.000 1.061 784 V CA 2.256 64.543 62.300 -0.022 0.000 1.064 784 V CB -1.418 30.392 31.823 -0.022 0.000 0.670 784 V HN 0.688 nan 8.190 nan 0.000 0.461 785 N N 0.757 119.444 118.700 -0.022 0.000 2.585 785 N HA -0.194 4.546 4.740 -0.001 0.000 0.188 785 N C 1.555 177.053 175.510 -0.021 0.000 1.102 785 N CA 0.995 54.033 53.050 -0.020 0.000 0.920 785 N CB -0.424 38.053 38.487 -0.017 0.000 0.963 785 N HN 0.318 nan 8.380 nan 0.000 0.447 786 R N -0.193 120.295 120.500 -0.021 0.000 2.246 786 R HA 0.208 4.547 4.340 -0.001 0.000 0.199 786 R C -0.036 176.248 176.300 -0.027 0.000 0.984 786 R CA 0.090 56.178 56.100 -0.020 0.000 1.015 786 R CB 0.163 30.454 30.300 -0.015 0.000 0.930 786 R HN 0.274 nan 8.270 nan 0.000 0.475 787 I N 2.008 122.558 120.570 -0.034 0.000 2.362 787 I HA 0.230 4.399 4.170 -0.001 0.000 0.289 787 I C -0.387 175.694 176.117 -0.060 0.000 0.994 787 I CA -1.656 59.617 61.300 -0.045 0.000 1.158 787 I CB 1.344 39.319 38.000 -0.041 0.000 1.315 787 I HN -0.160 nan 8.210 nan 0.000 0.451 788 L N 8.661 129.835 121.223 -0.082 0.000 2.296 788 L HA 0.616 4.955 4.340 -0.001 0.000 0.286 788 L C -0.740 176.039 176.870 -0.151 0.000 1.023 788 L CA -0.347 54.431 54.840 -0.104 0.000 0.812 788 L CB 1.652 43.646 42.059 -0.109 0.000 1.223 788 L HN 0.276 nan 8.230 nan 0.000 0.421 789 V N 5.944 125.778 119.914 -0.134 0.000 2.495 789 V HA 0.638 4.758 4.120 -0.001 0.000 0.298 789 V C -0.162 175.844 176.094 -0.146 0.000 1.031 789 V CA -0.656 61.552 62.300 -0.154 0.000 0.871 789 V CB 1.747 33.505 31.823 -0.108 0.000 0.988 789 V HN 0.733 nan 8.190 nan 0.000 0.432 790 R N 3.097 123.489 120.500 -0.181 0.000 2.561 790 R HA 0.809 5.148 4.340 -0.001 0.000 0.297 790 R C -1.662 174.635 176.300 -0.006 0.000 0.969 790 R CA -0.703 55.340 56.100 -0.095 0.000 0.879 790 R CB 2.511 32.751 30.300 -0.100 0.000 1.178 790 R HN 0.489 nan 8.270 nan 0.000 0.445 791 V N 3.379 123.294 119.914 0.003 0.000 2.419 791 V HA 0.176 4.296 4.120 -0.001 0.000 0.287 791 V C 0.670 176.773 176.094 0.014 0.000 1.017 791 V CA -0.680 61.627 62.300 0.012 0.000 0.844 791 V CB 1.422 33.228 31.823 -0.027 0.000 1.011 791 V HN 0.804 nan 8.190 nan 0.000 0.429 792 K N 4.353 124.770 120.400 0.030 0.000 2.021 792 K HA 0.170 4.490 4.320 -0.001 0.000 0.205 792 K C 0.753 177.345 176.600 -0.012 0.000 1.047 792 K CA 1.002 57.290 56.287 0.001 0.000 0.943 792 K CB 0.368 32.855 32.500 -0.021 0.000 0.725 792 K HN 0.795 nan 8.250 nan 0.000 0.439 793 R N -1.090 119.381 120.500 -0.049 0.000 2.716 793 R HA 0.376 4.716 4.340 -0.001 0.000 0.271 793 R C -1.432 174.856 176.300 -0.020 0.000 1.028 793 R CA -0.923 55.140 56.100 -0.061 0.000 0.883 793 R CB 0.880 31.099 30.300 -0.136 0.000 1.250 793 R HN -0.090 nan 8.270 nan 0.000 0.465 794 M N 0.532 120.130 119.600 -0.002 0.000 2.456 794 M HA 0.397 4.877 4.480 -0.001 0.000 0.324 794 M C 0.501 176.880 176.300 0.132 0.000 1.124 794 M CA -0.687 54.627 55.300 0.024 0.000 0.959 794 M CB 2.420 34.955 32.600 -0.109 0.000 1.692 794 M HN 0.935 nan 8.290 nan 0.000 0.444 795 G N 1.655 110.552 108.800 0.162 0.000 3.401 795 G HA2 0.485 4.444 3.960 -0.001 0.000 0.251 795 G HA3 0.485 4.444 3.960 -0.001 0.000 0.251 795 G C 0.372 175.290 174.900 0.029 0.000 0.960 795 G CA 0.280 45.424 45.100 0.073 0.000 1.900 795 G HN 1.105 nan 8.290 nan 0.000 0.645 796 G N -1.279 107.487 108.800 -0.056 0.000 2.719 796 G HA2 0.352 4.312 3.960 -0.001 0.000 0.686 796 G HA3 0.352 4.312 3.960 -0.001 0.000 0.686 796 G C 0.535 175.255 174.900 -0.301 0.000 1.201 796 G CA -0.336 44.621 45.100 -0.239 0.000 0.768 796 G HN 1.207 nan 8.290 nan 0.000 0.629 797 G N -0.679 107.771 108.800 -0.583 0.000 2.645 797 G HA2 0.547 4.507 3.960 -0.001 0.000 0.208 797 G HA3 0.547 4.507 3.960 -0.001 0.000 0.208 797 G C 0.846 175.701 174.900 -0.074 0.000 1.264 797 G CA 0.823 45.746 45.100 -0.295 0.000 0.586 797 G HN 1.732 nan 8.290 nan 0.000 0.952 798 F N 0.797 120.783 119.950 0.061 0.000 3.069 798 F HA -0.196 4.331 4.527 -0.000 0.000 0.285 798 F C 1.968 177.814 175.800 0.077 0.000 0.827 798 F CA 0.987 59.021 58.000 0.056 0.000 1.108 798 F CB -1.442 37.539 39.000 -0.032 0.000 1.252 798 F HN 1.172 nan 8.300 nan 0.000 0.483 799 G N -1.049 107.849 108.800 0.163 0.000 2.279 799 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.223 799 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.223 799 G C 1.161 176.106 174.900 0.075 0.000 1.015 799 G CA 0.151 45.382 45.100 0.219 0.000 0.621 799 G HN 1.203 nan 8.290 nan 0.000 0.506 800 G N 0.182 108.793 108.800 -0.315 0.000 2.509 800 G HA2 0.129 4.089 3.960 -0.001 0.000 0.218 800 G HA3 0.129 4.089 3.960 -0.001 0.000 0.218 800 G C 1.206 176.057 174.900 -0.081 0.000 1.124 800 G CA 1.427 46.137 45.100 -0.650 0.000 0.776 800 G HN 0.538 nan 8.290 nan 0.000 0.547 801 K N -0.243 120.101 120.400 -0.094 0.000 2.455 801 K HA 0.196 4.516 4.320 -0.001 0.000 0.206 801 K C 1.403 178.005 176.600 0.004 0.000 1.027 801 K CA -0.133 56.114 56.287 -0.067 0.000 1.113 801 K CB 0.707 33.038 32.500 -0.282 0.000 0.850 801 K HN 0.324 nan 8.250 nan 0.000 0.503 802 E N 0.761 120.997 120.200 0.059 0.000 2.112 802 E HA -0.118 4.231 4.350 -0.001 0.000 0.190 802 E C 1.213 177.859 176.600 0.076 0.000 0.979 802 E CA 1.728 58.181 56.400 0.089 0.000 0.814 802 E CB 0.459 30.261 29.700 0.171 0.000 0.762 802 E HN 0.293 nan 8.360 nan 0.000 0.460 803 T N -3.015 111.603 114.554 0.107 0.000 3.168 803 T HA 0.199 4.549 4.350 -0.001 0.000 0.261 803 T C 1.581 176.350 174.700 0.114 0.000 0.931 803 T CA -0.581 61.577 62.100 0.096 0.000 0.949 803 T CB -0.074 68.889 68.868 0.157 0.000 1.229 803 T HN -0.098 nan 8.240 nan 0.000 0.504 804 R N 2.684 123.259 120.500 0.126 0.000 2.280 804 R HA 0.176 4.516 4.340 -0.001 0.000 0.207 804 R C 2.610 178.896 176.300 -0.024 0.000 1.043 804 R CA 1.109 57.252 56.100 0.072 0.000 1.006 804 R CB -1.120 29.221 30.300 0.069 0.000 0.885 804 R HN 0.730 nan 8.270 nan 0.000 0.467 805 S N 0.357 116.123 115.700 0.111 0.000 2.440 805 S HA -0.165 4.305 4.470 -0.001 0.000 0.238 805 S C 1.918 176.554 174.600 0.059 0.000 1.010 805 S CA 1.641 59.935 58.200 0.157 0.000 0.972 805 S CB -0.683 62.631 63.200 0.190 0.000 0.774 805 S HN 0.471 nan 8.310 nan 0.000 0.501 806 T N 0.720 115.313 114.554 0.065 0.000 2.962 806 T HA 0.142 4.491 4.350 -0.001 0.000 0.270 806 T C 1.717 176.456 174.700 0.064 0.000 1.088 806 T CA 0.763 62.923 62.100 0.100 0.000 1.127 806 T CB -0.788 68.233 68.868 0.255 0.000 0.883 806 T HN 0.410 nan 8.240 nan 0.000 0.493 807 L N 0.513 121.750 121.223 0.024 0.000 2.042 807 L HA -0.068 4.272 4.340 -0.001 0.000 0.210 807 L C 2.882 179.749 176.870 -0.005 0.000 1.076 807 L CA 1.063 55.902 54.840 -0.002 0.000 0.749 807 L CB -0.654 41.394 42.059 -0.019 0.000 0.893 807 L HN 0.205 nan 8.230 nan 0.000 0.432 808 V N -1.390 118.519 119.914 -0.007 0.000 2.379 808 V HA -0.171 3.949 4.120 -0.001 0.000 0.243 808 V C 2.518 178.631 176.094 0.032 0.000 1.035 808 V CA 1.653 63.969 62.300 0.027 0.000 1.035 808 V CB 0.021 31.871 31.823 0.044 0.000 0.673 808 V HN 0.328 nan 8.190 nan 0.000 0.457 809 S N 0.307 116.027 115.700 0.033 0.000 2.370 809 S HA -0.188 4.281 4.470 -0.001 0.000 0.226 809 S C 2.006 176.613 174.600 0.010 0.000 1.033 809 S CA 1.681 59.898 58.200 0.029 0.000 1.011 809 S CB -0.275 62.941 63.200 0.027 0.000 0.852 809 S HN 0.382 nan 8.310 nan 0.000 0.457 810 V N 1.889 121.799 119.914 -0.006 0.000 2.358 810 V HA -0.146 3.974 4.120 -0.001 0.000 0.246 810 V C 2.643 178.676 176.094 -0.101 0.000 1.047 810 V CA 1.533 63.800 62.300 -0.055 0.000 1.035 810 V CB -1.277 30.498 31.823 -0.080 0.000 0.658 810 V HN 0.533 nan 8.190 nan 0.000 0.452 811 A N 0.072 122.834 122.820 -0.097 0.000 1.883 811 A HA -0.175 4.145 4.320 -0.001 0.000 0.217 811 A C 2.396 180.013 177.584 0.055 0.000 1.186 811 A CA 2.258 54.281 52.037 -0.024 0.000 0.624 811 A CB -0.750 18.311 19.000 0.102 0.000 0.822 811 A HN 0.338 nan 8.150 nan 0.000 0.444 812 V N -0.159 119.783 119.914 0.045 0.000 2.358 812 V HA -0.228 3.892 4.120 -0.001 0.000 0.246 812 V C 3.056 179.176 176.094 0.044 0.000 1.047 812 V CA 1.855 64.184 62.300 0.049 0.000 1.035 812 V CB -1.330 30.521 31.823 0.047 0.000 0.658 812 V HN 0.626 nan 8.190 nan 0.000 0.452 813 A N 0.060 122.897 122.820 0.028 0.000 1.908 813 A HA -0.239 4.080 4.320 -0.001 0.000 0.218 813 A C 2.188 179.810 177.584 0.063 0.000 1.181 813 A CA 2.269 54.325 52.037 0.031 0.000 0.627 813 A CB -0.635 18.366 19.000 0.002 0.000 0.818 813 A HN 0.465 nan 8.150 nan 0.000 0.445 814 L N -0.263 120.987 121.223 0.044 0.000 2.046 814 L HA -0.077 4.263 4.340 -0.001 0.000 0.208 814 L C 2.660 179.625 176.870 0.159 0.000 1.077 814 L CA 2.260 57.159 54.840 0.098 0.000 0.747 814 L CB -0.843 41.256 42.059 0.067 0.000 0.896 814 L HN 0.348 nan 8.230 nan 0.000 0.432 815 A N -0.430 122.453 122.820 0.104 0.000 1.908 815 A HA -0.129 4.191 4.320 -0.001 0.000 0.218 815 A C 2.468 180.084 177.584 0.053 0.000 1.181 815 A CA 1.967 54.042 52.037 0.063 0.000 0.627 815 A CB -1.228 17.793 19.000 0.035 0.000 0.818 815 A HN 0.596 nan 8.150 nan 0.000 0.445 816 A N -1.290 121.572 122.820 0.070 0.000 1.877 816 A HA -0.119 4.200 4.320 -0.001 0.000 0.216 816 A C 2.161 179.789 177.584 0.073 0.000 1.186 816 A CA 1.748 53.823 52.037 0.064 0.000 0.620 816 A CB -0.902 18.136 19.000 0.064 0.000 0.822 816 A HN 0.831 nan 8.150 nan 0.000 0.443 817 Y N 0.520 120.821 120.300 0.002 0.000 2.128 817 Y HA -0.206 4.344 4.550 -0.001 0.000 0.284 817 Y C 2.352 178.255 175.900 0.005 0.000 1.154 817 Y CA 2.450 60.550 58.100 0.000 0.000 1.149 817 Y CB -0.167 38.290 38.460 -0.005 0.000 0.976 817 Y HN 0.196 nan 8.280 nan 0.000 0.505 818 K N -0.167 120.172 120.400 -0.102 0.000 2.057 818 K HA -0.135 4.185 4.320 -0.001 0.000 0.206 818 K C 2.019 178.514 176.600 -0.176 0.000 1.050 818 K CA 2.031 58.203 56.287 -0.193 0.000 0.935 818 K CB -0.544 31.964 32.500 0.013 0.000 0.715 818 K HN 0.603 nan 8.250 nan 0.000 0.439 819 T N -3.611 110.888 114.554 -0.092 0.000 3.035 819 T HA 0.120 4.470 4.350 -0.001 0.000 0.259 819 T C 1.470 176.207 174.700 0.062 0.000 1.078 819 T CA 1.062 63.126 62.100 -0.059 0.000 1.132 819 T CB -0.005 68.792 68.868 -0.118 0.000 0.900 819 T HN 0.359 nan 8.240 nan 0.000 0.480 820 G N 1.118 109.929 108.800 0.019 0.000 2.184 820 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.264 820 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.264 820 G C -0.124 174.814 174.900 0.062 0.000 0.975 820 G CA 0.385 45.498 45.100 0.022 0.000 0.642 820 G HN 0.774 nan 8.290 nan 0.000 0.536 821 H N 0.828 119.855 119.070 -0.072 0.000 2.502 821 H HA 0.554 5.110 4.556 -0.000 0.000 0.338 821 H C -2.249 173.045 175.328 -0.057 0.000 1.155 821 H CA -2.034 53.974 56.048 -0.067 0.000 1.237 821 H CB 0.944 30.674 29.762 -0.053 0.000 1.534 821 H HN 0.056 nan 8.280 nan 0.000 0.523 822 P HA 0.029 nan 4.420 nan 0.000 0.266 822 P C -0.811 176.507 177.300 0.029 0.000 1.195 822 P CA 0.188 63.322 63.100 0.056 0.000 0.768 822 P CB 0.601 32.370 31.700 0.115 0.000 0.838 823 V N 3.826 123.740 119.914 0.000 0.000 2.841 823 V HA 0.636 4.756 4.120 -0.001 0.000 0.310 823 V C 0.096 176.143 176.094 -0.079 0.000 1.090 823 V CA -0.676 61.579 62.300 -0.074 0.000 0.930 823 V CB 2.252 34.059 31.823 -0.027 0.000 1.014 823 V HN 0.600 nan 8.190 nan 0.000 0.425 824 R N 1.853 122.246 120.500 -0.179 0.000 2.867 824 R HA 0.928 5.268 4.340 -0.001 0.000 0.268 824 R C -1.454 174.859 176.300 0.023 0.000 1.014 824 R CA -0.637 55.420 56.100 -0.073 0.000 0.946 824 R CB 1.882 32.130 30.300 -0.087 0.000 1.208 824 R HN 0.720 nan 8.270 nan 0.000 0.477 825 C N 3.039 122.390 119.300 0.085 0.000 2.752 825 C HA 0.588 5.048 4.460 -0.001 0.000 0.360 825 C C -0.948 174.115 174.990 0.121 0.000 1.081 825 C CA -0.602 58.493 59.018 0.128 0.000 1.272 825 C CB 1.259 29.064 27.740 0.108 0.000 1.754 825 C HN 0.998 nan 8.230 nan 0.000 0.483 826 M N 6.794 126.475 119.600 0.134 0.000 2.311 826 M HA 0.574 5.054 4.480 -0.001 0.000 0.325 826 M C -1.268 175.092 176.300 0.101 0.000 1.061 826 M CA -0.566 54.798 55.300 0.107 0.000 0.957 826 M CB 1.188 33.844 32.600 0.094 0.000 1.646 826 M HN 0.715 nan 8.290 nan 0.000 0.434 827 L N 3.857 125.141 121.223 0.102 0.000 2.426 827 L HA 0.207 4.546 4.340 -0.001 0.000 0.271 827 L C 0.256 177.173 176.870 0.079 0.000 1.169 827 L CA -0.390 54.508 54.840 0.097 0.000 0.836 827 L CB 0.341 42.472 42.059 0.120 0.000 1.112 827 L HN 0.664 nan 8.230 nan 0.000 0.465 828 D N 1.134 121.576 120.400 0.069 0.000 2.357 828 D HA -0.002 4.637 4.640 -0.001 0.000 0.242 828 D C 0.952 177.279 176.300 0.046 0.000 1.153 828 D CA -0.207 53.826 54.000 0.056 0.000 0.918 828 D CB 1.093 41.930 40.800 0.062 0.000 1.181 828 D HN 0.341 nan 8.370 nan 0.000 0.435 829 R N 2.037 122.547 120.500 0.017 0.000 2.103 829 R HA -0.193 4.146 4.340 -0.001 0.000 0.242 829 R C 1.586 177.885 176.300 -0.003 0.000 1.142 829 R CA 1.903 57.983 56.100 -0.034 0.000 0.960 829 R CB -0.516 29.741 30.300 -0.073 0.000 0.858 829 R HN 0.554 nan 8.270 nan 0.000 0.439 830 N N 0.422 119.143 118.700 0.034 0.000 2.244 830 N HA -0.174 4.566 4.740 -0.001 0.000 0.183 830 N C 1.201 176.742 175.510 0.052 0.000 1.016 830 N CA 1.810 54.888 53.050 0.047 0.000 0.866 830 N CB -0.412 38.115 38.487 0.068 0.000 0.980 830 N HN 0.496 nan 8.380 nan 0.000 0.430 831 E N 0.344 120.581 120.200 0.062 0.000 2.047 831 E HA -0.155 4.194 4.350 -0.001 0.000 0.191 831 E C 1.400 178.044 176.600 0.072 0.000 0.987 831 E CA 0.948 57.389 56.400 0.068 0.000 0.799 831 E CB -0.132 29.610 29.700 0.071 0.000 0.752 831 E HN 0.405 nan 8.360 nan 0.000 0.449 832 D N 0.846 121.295 120.400 0.083 0.000 2.092 832 D HA -0.176 4.464 4.640 -0.001 0.000 0.193 832 D C 2.024 178.382 176.300 0.097 0.000 0.994 832 D CA 1.251 55.330 54.000 0.131 0.000 0.828 832 D CB 0.046 40.961 40.800 0.191 0.000 0.963 832 D HN 0.147 nan 8.370 nan 0.000 0.450 833 M N -0.175 119.442 119.600 0.030 0.000 2.213 833 M HA -0.152 4.327 4.480 -0.001 0.000 0.263 833 M C 2.327 178.641 176.300 0.022 0.000 1.062 833 M CA 0.656 55.949 55.300 -0.011 0.000 1.105 833 M CB -0.118 32.437 32.600 -0.075 0.000 1.385 833 M HN 0.065 nan 8.290 nan 0.000 0.417 834 L N 0.658 121.905 121.223 0.040 0.000 2.044 834 L HA -0.057 4.283 4.340 -0.001 0.000 0.205 834 L C 2.028 178.947 176.870 0.080 0.000 1.075 834 L CA 1.837 56.712 54.840 0.058 0.000 0.747 834 L CB -0.239 41.856 42.059 0.061 0.000 0.903 834 L HN 0.178 nan 8.230 nan 0.000 0.435 835 I N -1.220 119.397 120.570 0.078 0.000 2.585 835 I HA -0.123 4.047 4.170 -0.001 0.000 0.254 835 I C 1.977 178.134 176.117 0.066 0.000 1.129 835 I CA 1.260 62.606 61.300 0.077 0.000 1.455 835 I CB -0.477 37.562 38.000 0.066 0.000 1.111 835 I HN 0.393 nan 8.210 nan 0.000 0.433 836 T N -1.429 113.168 114.554 0.071 0.000 3.129 836 T HA 0.406 4.755 4.350 -0.001 0.000 0.251 836 T C 0.978 175.765 174.700 0.146 0.000 1.117 836 T CA 0.267 62.401 62.100 0.057 0.000 1.034 836 T CB -0.159 68.722 68.868 0.022 0.000 0.968 836 T HN 0.513 nan 8.240 nan 0.000 0.526 837 G N -0.728 108.166 108.800 0.157 0.000 2.758 837 G HA2 0.366 4.326 3.960 -0.001 0.000 0.686 837 G HA3 0.366 4.326 3.960 -0.001 0.000 0.686 837 G C -0.115 174.950 174.900 0.275 0.000 1.389 837 G CA -0.578 44.628 45.100 0.177 0.000 0.845 837 G HN 1.103 nan 8.290 nan 0.000 0.572 838 G N -0.662 108.262 108.800 0.206 0.000 3.058 838 G HA2 0.782 4.742 3.960 -0.001 0.000 0.282 838 G HA3 0.782 4.742 3.960 -0.001 0.000 0.282 838 G C 0.000 175.019 174.900 0.198 0.000 1.248 838 G CA -0.020 45.181 45.100 0.168 0.000 0.822 838 G HN 0.921 nan 8.290 nan 0.000 0.579 839 R N 0.070 120.693 120.500 0.205 0.000 2.679 839 R HA 0.125 4.465 4.340 -0.001 0.000 0.268 839 R C -0.241 176.135 176.300 0.127 0.000 1.044 839 R CA -0.203 56.000 56.100 0.172 0.000 1.105 839 R CB 0.017 30.225 30.300 -0.153 0.000 0.989 839 R HN 0.571 nan 8.270 nan 0.000 0.447 840 H N 5.044 124.190 119.070 0.127 0.000 2.955 840 H HA 0.091 4.647 4.556 -0.001 0.000 0.290 840 H C -1.914 173.542 175.328 0.213 0.000 1.047 840 H CA -1.583 54.575 56.048 0.184 0.000 1.484 840 H CB 0.731 30.658 29.762 0.275 0.000 1.501 840 H HN 0.438 nan 8.280 nan 0.000 0.521 841 P HA -0.001 nan 4.420 nan 0.000 0.267 841 P C -0.664 176.815 177.300 0.298 0.000 1.200 841 P CA 0.614 63.782 63.100 0.114 0.000 0.772 841 P CB 0.416 32.182 31.700 0.110 0.000 0.855 842 F N 1.574 121.471 119.950 -0.088 0.000 2.551 842 F HA 0.489 5.015 4.527 -0.001 0.000 0.316 842 F C -0.140 175.747 175.800 0.145 0.000 1.089 842 F CA -1.097 56.957 58.000 0.090 0.000 0.915 842 F CB 1.689 40.761 39.000 0.120 0.000 1.186 842 F HN 0.094 nan 8.300 nan 0.000 0.456 843 L N 3.352 124.834 121.223 0.432 0.000 2.334 843 L HA 0.906 5.245 4.340 -0.001 0.000 0.276 843 L C -1.028 176.134 176.870 0.487 0.000 1.014 843 L CA -0.267 54.864 54.840 0.485 0.000 0.815 843 L CB 1.602 43.911 42.059 0.417 0.000 1.268 843 L HN 0.634 nan 8.230 nan 0.000 0.428 844 A N 4.832 127.912 122.820 0.432 0.000 2.414 844 A HA 0.868 5.187 4.320 -0.001 0.000 0.306 844 A C -1.001 176.802 177.584 0.364 0.000 1.054 844 A CA -0.731 51.519 52.037 0.354 0.000 0.724 844 A CB 1.276 20.442 19.000 0.277 0.000 1.267 844 A HN 0.716 nan 8.150 nan 0.000 0.418 845 R N 0.949 121.628 120.500 0.298 0.000 2.480 845 R HA 0.594 4.934 4.340 -0.001 0.000 0.306 845 R C -1.657 174.754 176.300 0.185 0.000 0.958 845 R CA -0.447 55.777 56.100 0.206 0.000 0.861 845 R CB 1.724 32.123 30.300 0.165 0.000 1.171 845 R HN 0.811 nan 8.270 nan 0.000 0.445 846 Y N -0.691 119.646 120.300 0.061 0.000 2.524 846 Y HA 0.616 5.166 4.550 -0.001 0.000 0.347 846 Y C -1.120 174.788 175.900 0.013 0.000 1.005 846 Y CA -1.280 56.837 58.100 0.029 0.000 1.025 846 Y CB 1.939 40.442 38.460 0.072 0.000 1.275 846 Y HN 0.334 nan 8.280 nan 0.000 0.460 847 K N 3.185 123.641 120.400 0.095 0.000 2.578 847 K HA 0.652 4.971 4.320 -0.001 0.000 0.250 847 K C -2.446 174.259 176.600 0.176 0.000 0.955 847 K CA -0.812 55.505 56.287 0.051 0.000 0.825 847 K CB 2.393 34.843 32.500 -0.082 0.000 1.151 847 K HN 0.809 nan 8.250 nan 0.000 0.432 848 V N 3.338 123.356 119.914 0.173 0.000 2.495 848 V HA 0.788 4.907 4.120 -0.001 0.000 0.298 848 V C -0.478 175.787 176.094 0.286 0.000 1.031 848 V CA -0.243 62.100 62.300 0.070 0.000 0.871 848 V CB 1.566 33.235 31.823 -0.257 0.000 0.988 848 V HN 0.863 nan 8.190 nan 0.000 0.432 849 G N 5.892 114.781 108.800 0.148 0.000 2.415 849 G HA2 0.776 4.736 3.960 -0.001 0.000 0.327 849 G HA3 0.776 4.736 3.960 -0.001 0.000 0.327 849 G C -1.256 173.645 174.900 0.002 0.000 1.182 849 G CA -0.542 44.576 45.100 0.030 0.000 0.924 849 G HN 1.041 nan 8.290 nan 0.000 0.470 850 F N 0.213 120.131 119.950 -0.053 0.000 2.686 850 F HA 0.751 5.278 4.527 -0.001 0.000 0.311 850 F C -0.586 175.194 175.800 -0.034 0.000 1.128 850 F CA -1.880 56.083 58.000 -0.063 0.000 0.946 850 F CB 1.252 40.226 39.000 -0.044 0.000 1.336 850 F HN 0.256 nan 8.300 nan 0.000 0.457 851 M N 1.703 121.398 119.600 0.158 0.000 2.267 851 M HA 0.347 4.826 4.480 -0.001 0.000 0.303 851 M C 1.043 177.460 176.300 0.194 0.000 1.164 851 M CA -0.658 54.693 55.300 0.086 0.000 1.060 851 M CB 0.987 33.616 32.600 0.048 0.000 1.455 851 M HN 0.682 nan 8.290 nan 0.000 0.483 852 K N 0.539 121.005 120.400 0.110 0.000 2.281 852 K HA -0.101 4.219 4.320 -0.001 0.000 0.203 852 K C 1.630 178.301 176.600 0.118 0.000 1.046 852 K CA 1.668 58.030 56.287 0.125 0.000 0.938 852 K CB -0.842 31.699 32.500 0.068 0.000 0.737 852 K HN 0.899 nan 8.250 nan 0.000 0.458 853 T N -2.897 111.714 114.554 0.095 0.000 3.085 853 T HA 0.099 4.449 4.350 -0.001 0.000 0.263 853 T C 1.469 176.209 174.700 0.066 0.000 1.127 853 T CA 0.931 63.073 62.100 0.070 0.000 1.103 853 T CB 0.023 68.921 68.868 0.049 0.000 0.921 853 T HN 0.339 nan 8.240 nan 0.000 0.510 854 G N 0.733 109.593 108.800 0.101 0.000 2.175 854 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.244 854 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.244 854 G C 0.191 175.097 174.900 0.010 0.000 0.982 854 G CA 0.045 45.158 45.100 0.022 0.000 0.641 854 G HN 0.686 nan 8.290 nan 0.000 0.527 855 T N 3.010 117.592 114.554 0.046 0.000 2.834 855 T HA 0.455 4.804 4.350 -0.001 0.000 0.298 855 T C 0.996 175.719 174.700 0.038 0.000 0.966 855 T CA -0.030 62.076 62.100 0.010 0.000 1.141 855 T CB 0.856 69.722 68.868 -0.004 0.000 0.905 855 T HN 0.247 nan 8.240 nan 0.000 0.535 856 I N 5.005 125.567 120.570 -0.013 0.000 2.471 856 I HA 0.072 4.242 4.170 -0.001 0.000 0.286 856 I C 1.480 177.545 176.117 -0.086 0.000 1.079 856 I CA -0.008 61.273 61.300 -0.032 0.000 1.398 856 I CB 0.573 38.524 38.000 -0.083 0.000 1.403 856 I HN 0.540 nan 8.210 nan 0.000 0.530 857 V N 2.884 122.725 119.914 -0.121 0.000 3.612 857 V HA 0.693 4.813 4.120 -0.001 0.000 0.268 857 V C 0.507 176.415 176.094 -0.309 0.000 1.365 857 V CA 0.377 62.569 62.300 -0.180 0.000 1.044 857 V CB 0.539 32.270 31.823 -0.153 0.000 0.820 857 V HN 0.779 nan 8.190 nan 0.000 0.444 858 A N 0.564 123.123 122.820 -0.435 0.000 2.589 858 A HA 0.849 5.169 4.320 -0.001 0.000 0.296 858 A C -1.847 175.400 177.584 -0.563 0.000 1.062 858 A CA -0.417 51.211 52.037 -0.682 0.000 0.686 858 A CB 2.194 20.304 19.000 -1.483 0.000 1.282 858 A HN 0.908 nan 8.150 nan 0.000 0.404 859 L N 0.638 121.638 121.223 -0.373 0.000 2.493 859 L HA 0.761 5.101 4.340 -0.001 0.000 0.265 859 L C -0.838 176.015 176.870 -0.028 0.000 0.954 859 L CA 0.056 54.757 54.840 -0.233 0.000 0.844 859 L CB 2.022 43.853 42.059 -0.380 0.000 1.302 859 L HN 0.841 nan 8.230 nan 0.000 0.405 860 E N 3.932 124.185 120.200 0.088 0.000 2.218 860 E HA 0.715 5.065 4.350 -0.001 0.000 0.263 860 E C -1.988 174.658 176.600 0.077 0.000 0.879 860 E CA -0.669 55.799 56.400 0.114 0.000 0.762 860 E CB 1.922 31.728 29.700 0.176 0.000 1.166 860 E HN 0.497 nan 8.360 nan 0.000 0.415 861 V N 4.030 123.981 119.914 0.062 0.000 2.525 861 V HA 0.305 4.425 4.120 -0.001 0.000 0.299 861 V C -1.005 175.046 176.094 -0.073 0.000 1.034 861 V CA -1.022 61.277 62.300 -0.000 0.000 0.863 861 V CB 1.892 33.678 31.823 -0.062 0.000 0.999 861 V HN 0.702 nan 8.190 nan 0.000 0.423 862 D N 2.759 123.111 120.400 -0.079 0.000 2.329 862 D HA 0.460 5.100 4.640 -0.001 0.000 0.232 862 D C -0.452 175.713 176.300 -0.226 0.000 1.088 862 D CA -0.169 53.753 54.000 -0.131 0.000 0.835 862 D CB 1.078 41.857 40.800 -0.035 0.000 1.078 862 D HN 0.604 nan 8.370 nan 0.000 0.495 863 H N 1.254 120.193 119.070 -0.218 0.000 2.463 863 H HA 0.431 4.987 4.556 -0.000 0.000 0.332 863 H C -0.739 174.289 175.328 -0.499 0.000 1.127 863 H CA -0.371 55.612 56.048 -0.108 0.000 1.238 863 H CB 0.879 30.693 29.762 0.086 0.000 1.478 863 H HN 0.303 nan 8.280 nan 0.000 0.499 864 Y N 0.469 120.777 120.300 0.013 0.000 2.346 864 Y HA 0.337 4.887 4.550 -0.001 0.000 0.332 864 Y C -0.280 175.419 175.900 -0.335 0.000 0.985 864 Y CA -0.951 57.092 58.100 -0.096 0.000 1.112 864 Y CB 1.831 40.321 38.460 0.049 0.000 1.170 864 Y HN 0.663 nan 8.280 nan 0.000 0.447 865 S N 1.592 117.087 115.700 -0.341 0.000 2.549 865 S HA 0.405 4.875 4.470 -0.001 0.000 0.297 865 S C -0.614 173.994 174.600 0.013 0.000 1.115 865 S CA -0.942 56.998 58.200 -0.434 0.000 1.059 865 S CB 1.556 64.382 63.200 -0.623 0.000 1.046 865 S HN 0.626 nan 8.310 nan 0.000 0.506 866 N N 1.341 120.099 118.700 0.097 0.000 2.521 866 N HA 0.363 5.102 4.740 -0.001 0.000 0.236 866 N C 0.757 176.321 175.510 0.090 0.000 1.067 866 N CA -0.221 52.888 53.050 0.097 0.000 0.939 866 N CB 1.013 39.544 38.487 0.073 0.000 1.201 866 N HN 0.782 nan 8.380 nan 0.000 0.511 867 A N 2.479 125.400 122.820 0.168 0.000 2.021 867 A HA 0.346 4.666 4.320 -0.001 0.000 0.216 867 A C 1.231 178.885 177.584 0.117 0.000 1.163 867 A CA 1.044 53.217 52.037 0.226 0.000 0.676 867 A CB -0.708 18.555 19.000 0.438 0.000 0.818 867 A HN 0.866 nan 8.150 nan 0.000 0.453 868 G N 0.414 109.271 108.800 0.094 0.000 2.584 868 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.229 868 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.229 868 G C 0.214 175.196 174.900 0.137 0.000 1.320 868 G CA 0.291 45.420 45.100 0.048 0.000 0.891 868 G HN 1.094 nan 8.290 nan 0.000 0.573 869 N N 0.351 119.087 118.700 0.060 0.000 2.314 869 N HA 0.309 5.048 4.740 -0.001 0.000 0.200 869 N C 0.541 176.107 175.510 0.092 0.000 1.135 869 N CA 1.231 54.311 53.050 0.050 0.000 0.835 869 N CB 0.042 38.467 38.487 -0.104 0.000 0.989 869 N HN 1.773 nan 8.380 nan 0.000 0.478 870 S N -1.552 114.194 115.700 0.077 0.000 2.615 870 S HA 0.484 4.953 4.470 -0.001 0.000 0.269 870 S C 0.450 174.847 174.600 -0.338 0.000 1.161 870 S CA -0.910 57.245 58.200 -0.074 0.000 0.817 870 S CB 1.962 65.151 63.200 -0.018 0.000 1.131 870 S HN -0.010 nan 8.310 nan 0.000 0.467 871 R N 0.709 120.906 120.500 -0.504 0.000 2.061 871 R HA 0.077 4.417 4.340 -0.001 0.000 0.230 871 R C 0.845 177.115 176.300 -0.051 0.000 1.140 871 R CA 1.671 57.463 56.100 -0.514 0.000 0.940 871 R CB -0.811 29.223 30.300 -0.443 0.000 0.839 871 R HN 0.910 nan 8.270 nan 0.000 0.429 872 D N -1.283 119.214 120.400 0.163 0.000 3.417 872 D HA -0.287 4.353 4.640 -0.001 0.000 0.163 872 D C 0.111 176.627 176.300 0.360 0.000 1.070 872 D CA 2.009 56.170 54.000 0.268 0.000 1.047 872 D CB -0.758 40.164 40.800 0.203 0.000 0.514 872 D HN 0.096 nan 8.370 nan 0.000 0.532 873 L N 0.330 121.742 121.223 0.316 0.000 2.629 873 L HA 0.221 4.561 4.340 -0.001 0.000 0.230 873 L C 1.973 178.928 176.870 0.142 0.000 1.151 873 L CA 0.127 55.163 54.840 0.327 0.000 0.924 873 L CB -0.051 42.248 42.059 0.399 0.000 1.137 873 L HN 0.173 nan 8.230 nan 0.000 0.457 874 S N -0.580 115.189 115.700 0.115 0.000 2.383 874 S HA -0.264 4.206 4.470 -0.001 0.000 0.229 874 S C 1.869 176.417 174.600 -0.087 0.000 1.030 874 S CA 1.590 59.772 58.200 -0.030 0.000 1.002 874 S CB -0.236 63.056 63.200 0.153 0.000 0.829 874 S HN 0.609 nan 8.310 nan 0.000 0.467 875 H N 1.197 120.213 119.070 -0.090 0.000 2.321 875 H HA 0.019 4.575 4.556 -0.000 0.000 0.300 875 H C 2.199 177.499 175.328 -0.046 0.000 1.087 875 H CA 1.881 57.865 56.048 -0.107 0.000 1.319 875 H CB -0.266 29.395 29.762 -0.168 0.000 1.379 875 H HN 0.228 nan 8.280 nan 0.000 0.501 876 S N -0.218 115.606 115.700 0.206 0.000 2.399 876 S HA -0.101 4.369 4.470 -0.001 0.000 0.231 876 S C 2.175 176.891 174.600 0.194 0.000 1.022 876 S CA 1.238 59.623 58.200 0.307 0.000 0.983 876 S CB -0.176 63.352 63.200 0.546 0.000 0.803 876 S HN 0.381 nan 8.310 nan 0.000 0.480 877 I N 0.732 121.173 120.570 -0.215 0.000 2.252 877 I HA -0.196 3.974 4.170 -0.001 0.000 0.245 877 I C 2.443 178.459 176.117 -0.168 0.000 1.102 877 I CA 1.098 62.093 61.300 -0.508 0.000 1.385 877 I CB -0.248 37.257 38.000 -0.825 0.000 1.064 877 I HN 0.297 nan 8.210 nan 0.000 0.414 878 M N 0.840 120.331 119.600 -0.181 0.000 2.159 878 M HA -0.182 4.297 4.480 -0.001 0.000 0.263 878 M C 2.035 178.220 176.300 -0.191 0.000 1.063 878 M CA 1.781 56.996 55.300 -0.141 0.000 1.110 878 M CB -0.464 31.980 32.600 -0.259 0.000 1.374 878 M HN 0.111 nan 8.290 nan 0.000 0.411 879 E N -0.539 119.525 120.200 -0.227 0.000 2.038 879 E HA -0.281 4.068 4.350 -0.001 0.000 0.195 879 E C 2.230 178.741 176.600 -0.149 0.000 1.000 879 E CA 1.594 57.861 56.400 -0.222 0.000 0.803 879 E CB -0.366 29.322 29.700 -0.022 0.000 0.750 879 E HN 0.528 nan 8.360 nan 0.000 0.448 880 R N 0.611 121.213 120.500 0.169 0.000 2.105 880 R HA -0.176 4.164 4.340 -0.001 0.000 0.239 880 R C 2.253 178.700 176.300 0.246 0.000 1.135 880 R CA 1.338 57.658 56.100 0.367 0.000 0.967 880 R CB -0.200 30.326 30.300 0.377 0.000 0.861 880 R HN 0.145 nan 8.270 nan 0.000 0.442 881 A N 1.114 123.962 122.820 0.046 0.000 1.865 881 A HA -0.168 4.152 4.320 -0.001 0.000 0.217 881 A C 2.194 179.750 177.584 -0.046 0.000 1.191 881 A CA 1.482 53.492 52.037 -0.045 0.000 0.623 881 A CB -0.716 18.244 19.000 -0.066 0.000 0.826 881 A HN 0.356 nan 8.150 nan 0.000 0.444 882 L N -1.822 119.313 121.223 -0.146 0.000 2.079 882 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 882 L C 2.445 179.397 176.870 0.138 0.000 1.081 882 L CA 1.381 56.166 54.840 -0.091 0.000 0.752 882 L CB -0.626 41.340 42.059 -0.155 0.000 0.896 882 L HN 0.444 nan 8.230 nan 0.000 0.433 883 F N -1.281 118.728 119.950 0.098 0.000 2.546 883 F HA -0.146 4.381 4.527 -0.001 0.000 0.298 883 F C 2.110 177.950 175.800 0.067 0.000 1.120 883 F CA 0.518 58.463 58.000 -0.092 0.000 1.456 883 F CB -0.045 38.772 39.000 -0.305 0.000 1.088 883 F HN 0.232 nan 8.300 nan 0.000 0.572 884 H N -0.396 118.873 119.070 0.330 0.000 2.784 884 H HA 0.144 4.700 4.556 -0.001 0.000 0.273 884 H C 1.954 177.362 175.328 0.132 0.000 1.112 884 H CA 0.276 56.447 56.048 0.205 0.000 1.162 884 H CB 0.084 29.861 29.762 0.025 0.000 1.586 884 H HN 0.403 nan 8.280 nan 0.000 0.548 885 M N 0.573 120.301 119.600 0.215 0.000 2.549 885 M HA -0.061 4.418 4.480 -0.001 0.000 0.260 885 M C 1.090 177.462 176.300 0.119 0.000 1.076 885 M CA 1.421 56.826 55.300 0.174 0.000 1.090 885 M CB -0.140 32.601 32.600 0.236 0.000 1.418 885 M HN -0.072 nan 8.290 nan 0.000 0.486 886 D N -0.506 119.903 120.400 0.015 0.000 2.323 886 D HA -0.070 4.570 4.640 -0.001 0.000 0.209 886 D C 0.947 177.301 176.300 0.090 0.000 0.973 886 D CA 0.475 54.514 54.000 0.064 0.000 0.874 886 D CB -0.535 40.315 40.800 0.083 0.000 0.930 886 D HN 0.504 nan 8.370 nan 0.000 0.521 887 N N 0.199 118.928 118.700 0.049 0.000 1.154 887 N HA -0.309 4.430 4.740 -0.001 0.000 0.135 887 N C -0.015 175.435 175.510 -0.099 0.000 0.562 887 N CA 2.659 55.670 53.050 -0.064 0.000 0.947 887 N CB -1.274 37.099 38.487 -0.189 0.000 1.354 887 N HN 0.365 nan 8.380 nan 0.000 0.505 888 C N -0.106 118.870 119.300 -0.540 0.000 2.668 888 C HA 0.420 4.879 4.460 -0.001 0.000 0.301 888 C C -0.628 173.990 174.990 -0.620 0.000 1.351 888 C CA -0.515 58.304 59.018 -0.332 0.000 1.757 888 C CB -2.000 25.575 27.740 -0.276 0.000 2.179 888 C HN 0.338 nan 8.230 nan 0.000 0.586 889 Y N 0.539 120.631 120.300 -0.348 0.000 2.364 889 Y HA 0.443 4.993 4.550 -0.000 0.000 0.340 889 Y C 0.235 175.557 175.900 -0.964 0.000 0.975 889 Y CA -1.029 56.740 58.100 -0.552 0.000 1.089 889 Y CB 0.901 39.226 38.460 -0.225 0.000 1.192 889 Y HN -0.154 nan 8.280 nan 0.000 0.454 890 K N 3.934 123.834 120.400 -0.834 0.000 2.316 890 K HA 0.441 4.760 4.320 -0.001 0.000 0.289 890 K C -1.510 174.930 176.600 -0.267 0.000 1.070 890 K CA 0.247 56.133 56.287 -0.667 0.000 0.928 890 K CB -0.149 32.085 32.500 -0.443 0.000 1.039 890 K HN 0.664 nan 8.250 nan 0.000 0.480 891 I N 8.569 129.038 120.570 -0.167 0.000 2.420 891 I HA 0.259 4.429 4.170 -0.001 0.000 0.282 891 I C -1.479 174.591 176.117 -0.077 0.000 1.019 891 I CA -1.994 59.241 61.300 -0.108 0.000 1.130 891 I CB 1.962 39.910 38.000 -0.088 0.000 1.262 891 I HN 0.620 nan 8.210 nan 0.000 0.454 892 P HA -0.079 nan 4.420 nan 0.000 0.218 892 P C -0.277 176.986 177.300 -0.062 0.000 1.149 892 P CA 1.262 64.322 63.100 -0.067 0.000 0.817 892 P CB 0.222 31.874 31.700 -0.079 0.000 0.785 893 N N 0.325 118.964 118.700 -0.101 0.000 2.491 893 N HA 0.435 5.175 4.740 -0.001 0.000 0.274 893 N C -0.874 174.567 175.510 -0.114 0.000 1.023 893 N CA -0.319 52.669 53.050 -0.105 0.000 0.902 893 N CB 2.348 40.738 38.487 -0.161 0.000 1.267 893 N HN 0.087 nan 8.380 nan 0.000 0.503 894 I N 0.857 121.407 120.570 -0.034 0.000 2.692 894 I HA 0.407 4.577 4.170 -0.001 0.000 0.293 894 I C -1.471 174.683 176.117 0.061 0.000 1.200 894 I CA -0.681 60.615 61.300 -0.006 0.000 1.036 894 I CB 2.330 40.336 38.000 0.009 0.000 1.258 894 I HN 0.353 nan 8.210 nan 0.000 0.421 895 R N 5.436 125.980 120.500 0.073 0.000 2.502 895 R HA 0.672 5.011 4.340 -0.001 0.000 0.298 895 R C -1.388 174.987 176.300 0.125 0.000 1.018 895 R CA -0.546 55.619 56.100 0.107 0.000 0.899 895 R CB 1.879 32.237 30.300 0.097 0.000 1.181 895 R HN 0.798 nan 8.270 nan 0.000 0.444 896 G N 1.817 110.718 108.800 0.167 0.000 2.461 896 G HA2 0.507 4.467 3.960 -0.001 0.000 0.323 896 G HA3 0.507 4.467 3.960 -0.001 0.000 0.323 896 G C -0.688 174.315 174.900 0.172 0.000 1.229 896 G CA -0.457 44.773 45.100 0.216 0.000 0.941 896 G HN 0.574 nan 8.290 nan 0.000 0.477 897 T N -1.189 113.462 114.554 0.161 0.000 2.916 897 T HA 0.846 5.195 4.350 -0.001 0.000 0.292 897 T C -0.034 174.680 174.700 0.024 0.000 1.055 897 T CA -0.612 61.512 62.100 0.040 0.000 1.009 897 T CB 2.344 71.182 68.868 -0.050 0.000 1.118 897 T HN 1.204 nan 8.240 nan 0.000 0.497 898 G N 1.167 109.887 108.800 -0.133 0.000 2.701 898 G HA2 0.642 4.602 3.960 -0.001 0.000 0.300 898 G HA3 0.642 4.602 3.960 -0.001 0.000 0.300 898 G C -1.258 173.450 174.900 -0.320 0.000 1.410 898 G CA -0.977 43.989 45.100 -0.222 0.000 1.014 898 G HN 0.652 nan 8.290 nan 0.000 0.509 899 R N 1.026 121.288 120.500 -0.398 0.000 2.740 899 R HA 0.503 4.843 4.340 -0.001 0.000 0.282 899 R C -0.757 175.479 176.300 -0.108 0.000 0.969 899 R CA -1.023 54.880 56.100 -0.329 0.000 0.918 899 R CB 1.981 31.923 30.300 -0.597 0.000 1.175 899 R HN 0.446 nan 8.270 nan 0.000 0.464 900 L N 1.773 123.017 121.223 0.035 0.000 2.262 900 L HA 0.424 4.764 4.340 -0.001 0.000 0.288 900 L C -0.225 176.835 176.870 0.316 0.000 1.035 900 L CA -0.824 54.119 54.840 0.172 0.000 0.820 900 L CB 1.214 43.413 42.059 0.234 0.000 1.204 900 L HN 0.412 nan 8.230 nan 0.000 0.424 901 C N 3.101 122.562 119.300 0.269 0.000 2.482 901 C HA 0.131 4.591 4.460 -0.001 0.000 0.378 901 C C 0.896 175.869 174.990 -0.028 0.000 1.284 901 C CA -0.674 58.443 59.018 0.165 0.000 1.826 901 C CB -0.054 27.768 27.740 0.136 0.000 2.473 901 C HN 0.674 nan 8.230 nan 0.000 0.562 902 K N 3.561 123.761 120.400 -0.333 0.000 2.284 902 K HA 0.375 4.694 4.320 -0.001 0.000 0.287 902 K C 0.284 176.710 176.600 -0.290 0.000 1.081 902 K CA 0.225 56.170 56.287 -0.570 0.000 0.910 902 K CB 0.345 32.226 32.500 -1.031 0.000 1.088 902 K HN 0.914 nan 8.250 nan 0.000 0.478 903 T N 0.209 114.675 114.554 -0.147 0.000 2.887 903 T HA 0.311 4.660 4.350 -0.001 0.000 0.292 903 T C -0.112 174.514 174.700 -0.123 0.000 1.087 903 T CA -1.110 60.907 62.100 -0.140 0.000 1.009 903 T CB 1.080 69.880 68.868 -0.114 0.000 1.203 903 T HN 0.427 nan 8.240 nan 0.000 0.518 904 N N 1.554 120.168 118.700 -0.143 0.000 3.303 904 N HA 0.338 5.078 4.740 -0.001 0.000 0.304 904 N C -0.879 174.571 175.510 -0.099 0.000 1.302 904 N CA 0.006 52.977 53.050 -0.133 0.000 1.213 904 N CB -0.390 38.017 38.487 -0.133 0.000 1.481 904 N HN 0.496 nan 8.380 nan 0.000 0.546 905 L N -0.312 120.857 121.223 -0.090 0.000 2.376 905 L HA 0.340 4.679 4.340 -0.001 0.000 0.258 905 L C 0.422 177.271 176.870 -0.035 0.000 1.013 905 L CA -0.861 53.935 54.840 -0.073 0.000 0.822 905 L CB 1.883 43.858 42.059 -0.140 0.000 1.388 905 L HN -0.016 nan 8.230 nan 0.000 0.413 906 S N 0.662 116.367 115.700 0.010 0.000 2.558 906 S HA -0.043 4.426 4.470 -0.001 0.000 0.291 906 S C 0.226 174.835 174.600 0.016 0.000 1.306 906 S CA -0.012 58.203 58.200 0.024 0.000 1.056 906 S CB 0.635 63.877 63.200 0.070 0.000 0.836 906 S HN 0.558 nan 8.310 nan 0.000 0.504 907 S N 3.337 119.049 115.700 0.020 0.000 2.498 907 S HA 0.078 4.547 4.470 -0.001 0.000 0.281 907 S C 0.253 174.869 174.600 0.026 0.000 1.265 907 S CA -0.699 57.517 58.200 0.026 0.000 1.071 907 S CB -0.260 62.965 63.200 0.041 0.000 0.894 907 S HN 0.609 nan 8.310 nan 0.000 0.491 908 N N 2.881 121.539 118.700 -0.071 0.000 2.467 908 N HA 0.386 5.126 4.740 -0.001 0.000 0.262 908 N C 0.247 175.779 175.510 0.036 0.000 1.234 908 N CA -0.054 52.889 53.050 -0.179 0.000 0.952 908 N CB 1.449 39.536 38.487 -0.667 0.000 1.158 908 N HN 0.697 nan 8.380 nan 0.000 0.463 909 T N -1.491 113.203 114.554 0.233 0.000 2.626 909 T HA 0.611 4.961 4.350 -0.001 0.000 0.299 909 T C -1.293 173.682 174.700 0.459 0.000 1.181 909 T CA -0.538 61.795 62.100 0.388 0.000 1.053 909 T CB 0.346 69.406 68.868 0.319 0.000 1.566 909 T HN 0.482 nan 8.240 nan 0.000 0.486 910 A N 1.174 124.274 122.820 0.467 0.000 2.511 910 A HA 0.567 4.887 4.320 -0.001 0.000 0.242 910 A C -0.675 177.320 177.584 0.685 0.000 1.069 910 A CA 0.115 52.504 52.037 0.585 0.000 0.763 910 A CB -0.730 18.689 19.000 0.700 0.000 1.001 910 A HN 0.724 nan 8.150 nan 0.000 0.498 911 F N 2.212 122.441 119.950 0.465 0.000 2.588 911 F HA 0.431 4.957 4.527 -0.000 0.000 0.318 911 F C 0.511 176.504 175.800 0.321 0.000 1.155 911 F CA -1.130 57.114 58.000 0.407 0.000 0.967 911 F CB 1.177 40.271 39.000 0.158 0.000 1.236 911 F HN 0.786 nan 8.300 nan 0.000 0.455 912 R N 4.179 125.139 120.500 0.767 0.000 4.326 912 R HA -0.068 4.272 4.340 -0.001 0.000 0.141 912 R C 0.919 177.417 176.300 0.329 0.000 0.356 912 R CA 1.998 58.396 56.100 0.496 0.000 0.851 912 R CB -0.703 29.903 30.300 0.511 0.000 1.039 912 R HN 1.170 nan 8.270 nan 0.000 0.246 913 G N 3.479 112.450 108.800 0.286 0.000 2.436 913 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.204 913 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.204 913 G C 0.270 175.455 174.900 0.475 0.000 1.026 913 G CA -0.086 45.187 45.100 0.289 0.000 0.658 913 G HN 0.818 nan 8.290 nan 0.000 0.499 914 F N 0.723 120.799 119.950 0.211 0.000 2.983 914 F HA 0.074 4.600 4.527 -0.001 0.000 0.288 914 F C 1.748 177.597 175.800 0.083 0.000 0.980 914 F CA 2.543 60.655 58.000 0.186 0.000 0.965 914 F CB -0.992 38.135 39.000 0.211 0.000 0.967 914 F HN 2.077 nan 8.300 nan 0.000 0.800 915 G N -0.455 108.332 108.800 -0.023 0.000 2.268 915 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.240 915 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.240 915 G C 1.481 176.266 174.900 -0.192 0.000 1.010 915 G CA 0.731 45.729 45.100 -0.169 0.000 0.618 915 G HN 1.539 nan 8.290 nan 0.000 0.516 916 G N 1.637 110.389 108.800 -0.081 0.000 2.433 916 G HA2 0.093 4.053 3.960 -0.001 0.000 0.216 916 G HA3 0.093 4.053 3.960 -0.001 0.000 0.216 916 G C 0.104 174.933 174.900 -0.119 0.000 1.186 916 G CA 1.940 46.930 45.100 -0.185 0.000 0.779 916 G HN 0.536 nan 8.290 nan 0.000 0.543 917 P HA -0.094 nan 4.420 nan 0.000 0.215 917 P C 1.783 179.118 177.300 0.058 0.000 1.153 917 P CA 1.365 64.531 63.100 0.111 0.000 0.853 917 P CB -0.007 31.770 31.700 0.129 0.000 0.788 918 Q N -0.402 119.294 119.800 -0.174 0.000 2.030 918 Q HA -0.130 4.210 4.340 -0.001 0.000 0.204 918 Q C 2.322 178.233 176.000 -0.148 0.000 0.986 918 Q CA 2.155 57.785 55.803 -0.289 0.000 0.843 918 Q CB -1.374 26.763 28.738 -1.002 0.000 0.904 918 Q HN 0.168 nan 8.270 nan 0.000 0.420 919 A N 0.276 122.962 122.820 -0.224 0.000 1.930 919 A HA -0.119 4.201 4.320 -0.001 0.000 0.217 919 A C 2.080 179.639 177.584 -0.042 0.000 1.175 919 A CA 1.094 53.117 52.037 -0.023 0.000 0.627 919 A CB -0.692 18.296 19.000 -0.021 0.000 0.815 919 A HN 0.324 nan 8.150 nan 0.000 0.443 920 L N -2.046 119.037 121.223 -0.233 0.000 2.046 920 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 920 L C 2.463 179.102 176.870 -0.386 0.000 1.077 920 L CA 1.562 56.049 54.840 -0.590 0.000 0.747 920 L CB -0.560 40.615 42.059 -1.474 0.000 0.896 920 L HN 0.503 nan 8.230 nan 0.000 0.432 921 F N 0.895 120.749 119.950 -0.160 0.000 2.134 921 F HA -0.214 4.313 4.527 -0.001 0.000 0.299 921 F C 2.236 178.043 175.800 0.010 0.000 1.097 921 F CA 1.449 59.538 58.000 0.149 0.000 1.264 921 F CB -0.186 38.905 39.000 0.152 0.000 1.001 921 F HN -0.115 nan 8.300 nan 0.000 0.479 922 I N 0.277 120.809 120.570 -0.063 0.000 2.226 922 I HA -0.313 3.856 4.170 -0.001 0.000 0.245 922 I C 2.709 178.586 176.117 -0.400 0.000 1.100 922 I CA 1.264 62.461 61.300 -0.171 0.000 1.374 922 I CB -0.978 37.075 38.000 0.089 0.000 1.057 922 I HN 0.240 nan 8.210 nan 0.000 0.413 923 A N 0.341 122.934 122.820 -0.378 0.000 1.883 923 A HA -0.205 4.114 4.320 -0.001 0.000 0.217 923 A C 2.243 179.086 177.584 -1.236 0.000 1.186 923 A CA 1.615 53.151 52.037 -0.836 0.000 0.624 923 A CB -0.457 18.350 19.000 -0.323 0.000 0.822 923 A HN 0.339 nan 8.150 nan 0.000 0.444 924 E N -0.253 119.551 120.200 -0.659 0.000 2.204 924 E HA -0.169 4.181 4.350 -0.001 0.000 0.194 924 E C 1.777 177.890 176.600 -0.812 0.000 0.989 924 E CA 1.202 57.178 56.400 -0.706 0.000 0.824 924 E CB -0.501 28.885 29.700 -0.524 0.000 0.756 924 E HN 0.762 nan 8.360 nan 0.000 0.477 925 N N 1.152 119.500 118.700 -0.588 0.000 2.058 925 N HA -0.159 4.580 4.740 -0.001 0.000 0.191 925 N C 1.972 177.288 175.510 -0.323 0.000 1.037 925 N CA 2.011 54.859 53.050 -0.338 0.000 0.848 925 N CB -0.323 37.904 38.487 -0.434 0.000 1.021 925 N HN 0.368 nan 8.380 nan 0.000 0.422 926 W N -0.585 120.478 121.300 -0.394 0.000 2.402 926 W HA -0.047 4.613 4.660 -0.001 0.000 0.286 926 W C 1.714 178.080 176.519 -0.253 0.000 1.221 926 W CA 0.189 57.347 57.345 -0.312 0.000 1.257 926 W CB -0.807 28.443 29.460 -0.350 0.000 1.120 926 W HN 0.155 nan 8.180 nan 0.000 0.551 927 M N 3.368 122.645 119.600 -0.538 0.000 2.159 927 M HA -0.196 4.283 4.480 -0.001 0.000 0.263 927 M C 2.585 178.697 176.300 -0.313 0.000 1.063 927 M CA 2.809 57.820 55.300 -0.480 0.000 1.110 927 M CB -0.812 31.239 32.600 -0.914 0.000 1.374 927 M HN 0.092 nan 8.290 nan 0.000 0.411 928 S N -0.784 114.719 115.700 -0.330 0.000 2.382 928 S HA -0.156 4.314 4.470 -0.001 0.000 0.228 928 S C 1.756 176.295 174.600 -0.102 0.000 1.027 928 S CA 1.541 59.618 58.200 -0.205 0.000 0.991 928 S CB -0.774 62.328 63.200 -0.163 0.000 0.823 928 S HN 0.711 nan 8.310 nan 0.000 0.469 929 E N 0.628 120.791 120.200 -0.060 0.000 2.216 929 E HA 0.023 4.372 4.350 -0.001 0.000 0.192 929 E C 2.077 178.631 176.600 -0.076 0.000 0.988 929 E CA 0.811 57.209 56.400 -0.004 0.000 0.834 929 E CB -0.206 29.557 29.700 0.104 0.000 0.772 929 E HN 0.387 nan 8.360 nan 0.000 0.479 930 V N 1.498 121.296 119.914 -0.194 0.000 2.295 930 V HA -0.285 3.834 4.120 -0.001 0.000 0.246 930 V C 2.349 178.219 176.094 -0.373 0.000 1.049 930 V CA 1.944 63.904 62.300 -0.567 0.000 1.024 930 V CB -0.677 30.773 31.823 -0.621 0.000 0.648 930 V HN 0.328 nan 8.190 nan 0.000 0.447 931 A N -0.266 122.427 122.820 -0.212 0.000 1.883 931 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 931 A C 2.392 179.948 177.584 -0.046 0.000 1.186 931 A CA 2.214 54.184 52.037 -0.110 0.000 0.624 931 A CB -0.733 18.220 19.000 -0.077 0.000 0.822 931 A HN 0.337 nan 8.150 nan 0.000 0.444 932 V N -0.309 119.588 119.914 -0.029 0.000 2.295 932 V HA -0.234 3.886 4.120 -0.001 0.000 0.246 932 V C 2.749 178.867 176.094 0.041 0.000 1.049 932 V CA 2.482 64.795 62.300 0.021 0.000 1.024 932 V CB -1.345 30.501 31.823 0.038 0.000 0.648 932 V HN 0.613 nan 8.190 nan 0.000 0.447 933 T N -0.806 113.771 114.554 0.037 0.000 2.684 933 T HA -0.244 4.106 4.350 -0.001 0.000 0.267 933 T C 1.758 176.535 174.700 0.128 0.000 1.036 933 T CA 2.068 64.236 62.100 0.113 0.000 1.148 933 T CB -0.501 68.498 68.868 0.217 0.000 0.863 933 T HN 0.572 nan 8.240 nan 0.000 0.436 934 C N 0.912 120.260 119.300 0.081 0.000 2.522 934 C HA 0.434 4.894 4.460 -0.001 0.000 0.271 934 C C 2.101 177.132 174.990 0.069 0.000 1.425 934 C CA -0.467 58.611 59.018 0.100 0.000 1.751 934 C CB -1.480 26.305 27.740 0.075 0.000 1.775 934 C HN 0.825 nan 8.230 nan 0.000 0.557 935 G N 0.971 109.804 108.800 0.055 0.000 2.249 935 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.273 935 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.273 935 G C -0.218 174.711 174.900 0.048 0.000 1.036 935 G CA 0.156 45.287 45.100 0.052 0.000 0.824 935 G HN 0.561 nan 8.290 nan 0.000 0.504 936 L N -0.539 120.709 121.223 0.042 0.000 2.330 936 L HA 0.548 4.888 4.340 -0.001 0.000 0.271 936 L C -1.961 174.944 176.870 0.058 0.000 1.013 936 L CA -2.686 52.184 54.840 0.049 0.000 0.816 936 L CB 1.778 43.863 42.059 0.044 0.000 1.287 936 L HN -0.160 nan 8.230 nan 0.000 0.435 937 P HA 0.023 nan 4.420 nan 0.000 0.263 937 P C 0.145 177.513 177.300 0.112 0.000 1.195 937 P CA 0.023 63.192 63.100 0.116 0.000 0.762 937 P CB 0.989 32.785 31.700 0.160 0.000 0.799 938 A N 4.462 127.344 122.820 0.103 0.000 1.917 938 A HA -0.272 4.048 4.320 -0.001 0.000 0.219 938 A C 1.755 179.417 177.584 0.129 0.000 1.182 938 A CA 1.970 54.050 52.037 0.072 0.000 0.633 938 A CB -0.958 18.076 19.000 0.058 0.000 0.819 938 A HN 0.595 nan 8.150 nan 0.000 0.448 939 E N 0.456 120.783 120.200 0.211 0.000 2.153 939 E HA -0.152 4.197 4.350 -0.001 0.000 0.194 939 E C 1.739 178.553 176.600 0.357 0.000 0.988 939 E CA 1.401 58.006 56.400 0.342 0.000 0.811 939 E CB -0.375 29.457 29.700 0.221 0.000 0.746 939 E HN 0.786 nan 8.360 nan 0.000 0.466 940 E N 0.483 120.836 120.200 0.255 0.000 2.072 940 E HA -0.112 4.238 4.350 -0.001 0.000 0.191 940 E C 2.072 178.776 176.600 0.173 0.000 0.985 940 E CA 1.224 57.763 56.400 0.232 0.000 0.801 940 E CB 0.015 29.817 29.700 0.171 0.000 0.750 940 E HN 0.103 nan 8.360 nan 0.000 0.452 941 V N 1.240 121.204 119.914 0.082 0.000 2.427 941 V HA -0.229 3.891 4.120 -0.001 0.000 0.248 941 V C 2.225 178.265 176.094 -0.090 0.000 1.051 941 V CA 1.596 63.885 62.300 -0.020 0.000 1.048 941 V CB -0.462 31.314 31.823 -0.079 0.000 0.666 941 V HN 0.184 nan 8.190 nan 0.000 0.456 942 R N -0.957 119.504 120.500 -0.065 0.000 2.070 942 R HA -0.203 4.136 4.340 -0.001 0.000 0.233 942 R C 2.272 178.524 176.300 -0.080 0.000 1.137 942 R CA 2.050 58.079 56.100 -0.119 0.000 0.945 942 R CB -0.505 29.791 30.300 -0.008 0.000 0.845 942 R HN 0.688 nan 8.270 nan 0.000 0.430 943 W N 2.392 123.540 121.300 -0.254 0.000 2.317 943 W HA -0.250 4.409 4.660 -0.001 0.000 0.318 943 W C 1.415 177.852 176.519 -0.138 0.000 1.227 943 W CA 1.538 58.713 57.345 -0.283 0.000 1.269 943 W CB -0.155 29.232 29.460 -0.123 0.000 1.155 943 W HN 0.053 nan 8.180 nan 0.000 0.484 944 K N -0.192 120.179 120.400 -0.049 0.000 2.160 944 K HA -0.204 4.116 4.320 -0.001 0.000 0.206 944 K C 1.450 177.927 176.600 -0.205 0.000 1.047 944 K CA 1.640 57.854 56.287 -0.122 0.000 0.930 944 K CB -0.311 32.181 32.500 -0.012 0.000 0.720 944 K HN 0.141 nan 8.250 nan 0.000 0.450 945 N N 0.089 118.679 118.700 -0.183 0.000 2.280 945 N HA 0.028 4.768 4.740 -0.001 0.000 0.192 945 N C 0.235 175.668 175.510 -0.128 0.000 1.109 945 N CA 0.032 52.991 53.050 -0.153 0.000 0.855 945 N CB 0.307 38.687 38.487 -0.180 0.000 0.974 945 N HN 0.192 nan 8.380 nan 0.000 0.482 946 M N 0.986 120.462 119.600 -0.207 0.000 2.249 946 M HA 0.004 4.483 4.480 -0.001 0.000 0.340 946 M C -0.311 175.813 176.300 -0.292 0.000 1.166 946 M CA -0.088 55.069 55.300 -0.239 0.000 1.115 946 M CB 0.479 32.837 32.600 -0.402 0.000 1.606 946 M HN 0.027 nan 8.290 nan 0.000 0.448 947 Y N 3.751 123.872 120.300 -0.298 0.000 2.607 947 Y HA -0.009 4.540 4.550 -0.000 0.000 0.348 947 Y C 0.486 176.112 175.900 -0.456 0.000 1.261 947 Y CA 0.239 58.030 58.100 -0.514 0.000 1.480 947 Y CB 0.427 38.281 38.460 -1.011 0.000 1.358 947 Y HN 0.434 nan 8.280 nan 0.000 0.630 948 K N 1.353 121.626 120.400 -0.212 0.000 2.208 948 K HA 0.195 4.515 4.320 -0.001 0.000 0.247 948 K C -0.788 175.698 176.600 -0.190 0.000 0.953 948 K CA -1.230 54.973 56.287 -0.140 0.000 0.837 948 K CB 1.587 34.022 32.500 -0.108 0.000 1.131 948 K HN 0.560 nan 8.250 nan 0.000 0.431 949 E N 0.195 120.377 120.200 -0.029 0.000 2.652 949 E HA 0.014 4.364 4.350 -0.001 0.000 0.255 949 E C 0.846 177.391 176.600 -0.092 0.000 0.952 949 E CA 1.833 58.219 56.400 -0.024 0.000 0.947 949 E CB -0.261 29.460 29.700 0.035 0.000 0.912 949 E HN 0.751 nan 8.360 nan 0.000 0.489 950 G N 3.686 112.411 108.800 -0.125 0.000 2.199 950 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.254 950 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.254 950 G C -0.002 174.798 174.900 -0.166 0.000 0.982 950 G CA 0.091 45.120 45.100 -0.119 0.000 0.632 950 G HN 0.654 nan 8.290 nan 0.000 0.529 951 D N 0.345 120.604 120.400 -0.234 0.000 2.400 951 D HA 0.444 5.084 4.640 -0.001 0.000 0.238 951 D C 1.163 177.274 176.300 -0.316 0.000 1.157 951 D CA 0.157 54.021 54.000 -0.226 0.000 0.889 951 D CB 0.537 41.234 40.800 -0.171 0.000 1.199 951 D HN 0.337 nan 8.370 nan 0.000 0.436 952 L N 1.202 122.287 121.223 -0.231 0.000 2.325 952 L HA 0.292 4.631 4.340 -0.001 0.000 0.279 952 L C 1.276 177.954 176.870 -0.320 0.000 1.054 952 L CA -0.774 53.899 54.840 -0.278 0.000 0.804 952 L CB 1.329 43.287 42.059 -0.168 0.000 1.200 952 L HN 0.446 nan 8.230 nan 0.000 0.436 953 T N -2.785 111.442 114.554 -0.544 0.000 2.698 953 T HA 0.014 4.363 4.350 -0.001 0.000 0.295 953 T C 1.397 175.941 174.700 -0.260 0.000 1.007 953 T CA -0.236 61.556 62.100 -0.513 0.000 0.980 953 T CB 0.412 68.586 68.868 -1.158 0.000 1.036 953 T HN 0.743 nan 8.240 nan 0.000 0.526 954 H N 0.173 119.165 119.070 -0.131 0.000 2.521 954 H HA -0.019 4.536 4.556 -0.000 0.000 0.286 954 H C 1.158 176.545 175.328 0.100 0.000 1.034 954 H CA 1.001 57.071 56.048 0.037 0.000 1.278 954 H CB -0.802 29.052 29.762 0.153 0.000 1.386 954 H HN 0.777 nan 8.280 nan 0.000 0.567 955 F N 0.100 119.844 119.950 -0.343 0.000 2.668 955 F HA 0.419 4.946 4.527 -0.001 0.000 0.297 955 F C 0.073 175.857 175.800 -0.027 0.000 1.124 955 F CA -0.966 56.929 58.000 -0.176 0.000 1.353 955 F CB -0.125 38.647 39.000 -0.380 0.000 0.992 955 F HN -0.154 nan 8.300 nan 0.000 0.524 956 N N 1.264 119.822 118.700 -0.236 0.000 2.776 956 N HA -0.260 4.479 4.740 -0.001 0.000 0.250 956 N C -0.162 175.248 175.510 -0.166 0.000 1.112 956 N CA 1.019 53.984 53.050 -0.142 0.000 0.733 956 N CB -1.130 37.355 38.487 -0.003 0.000 1.097 956 N HN 0.770 nan 8.380 nan 0.000 0.558 957 Q N 0.472 120.053 119.800 -0.366 0.000 2.241 957 Q HA 0.380 4.720 4.340 -0.001 0.000 0.254 957 Q C 0.123 175.984 176.000 -0.232 0.000 0.917 957 Q CA -0.691 54.995 55.803 -0.195 0.000 0.919 957 Q CB 0.995 29.729 28.738 -0.005 0.000 1.237 957 Q HN 0.201 nan 8.270 nan 0.000 0.434 958 R N 3.178 123.611 120.500 -0.112 0.000 2.442 958 R HA 0.183 4.523 4.340 -0.001 0.000 0.291 958 R C -0.933 175.290 176.300 -0.129 0.000 1.069 958 R CA 0.071 56.090 56.100 -0.134 0.000 1.022 958 R CB 0.322 30.583 30.300 -0.065 0.000 0.976 958 R HN 0.630 nan 8.270 nan 0.000 0.443 959 L N 5.079 126.141 121.223 -0.268 0.000 2.302 959 L HA 0.249 4.589 4.340 -0.001 0.000 0.285 959 L C -0.022 176.807 176.870 -0.069 0.000 1.090 959 L CA 0.098 54.780 54.840 -0.263 0.000 0.866 959 L CB 0.533 42.208 42.059 -0.641 0.000 1.244 959 L HN 0.583 nan 8.230 nan 0.000 0.435 960 E N 2.501 122.742 120.200 0.069 0.000 2.156 960 E HA 0.371 4.720 4.350 -0.001 0.000 0.279 960 E C 0.557 177.253 176.600 0.160 0.000 0.965 960 E CA -0.376 56.075 56.400 0.085 0.000 0.789 960 E CB 1.744 31.483 29.700 0.066 0.000 1.098 960 E HN 0.712 nan 8.360 nan 0.000 0.397 961 G N 3.559 112.432 108.800 0.121 0.000 2.324 961 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.292 961 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.292 961 G C -0.441 174.552 174.900 0.155 0.000 1.079 961 G CA -0.210 44.967 45.100 0.128 0.000 1.026 961 G HN 0.473 nan 8.290 nan 0.000 0.506 962 F N 2.259 122.128 119.950 -0.135 0.000 2.434 962 F HA 0.502 5.029 4.527 -0.001 0.000 0.358 962 F C 1.332 176.854 175.800 -0.464 0.000 1.136 962 F CA -0.563 57.170 58.000 -0.446 0.000 1.157 962 F CB 0.870 39.661 39.000 -0.348 0.000 1.167 962 F HN 0.325 nan 8.300 nan 0.000 0.539 963 S N 3.043 118.108 115.700 -1.059 0.000 2.557 963 S HA 0.052 4.521 4.470 -0.001 0.000 0.223 963 S C 1.455 175.684 174.600 -0.619 0.000 0.969 963 S CA 0.255 58.112 58.200 -0.572 0.000 0.927 963 S CB -0.368 62.720 63.200 -0.187 0.000 0.806 963 S HN 0.398 nan 8.310 nan 0.000 0.489 964 V N 2.822 122.041 119.914 -1.158 0.000 2.287 964 V HA -0.065 4.055 4.120 -0.001 0.000 0.248 964 V C -0.415 175.538 176.094 -0.236 0.000 1.053 964 V CA 1.856 63.770 62.300 -0.644 0.000 1.027 964 V CB -1.786 29.586 31.823 -0.751 0.000 0.646 964 V HN 0.383 nan 8.190 nan 0.000 0.447 965 P HA -0.158 nan 4.420 nan 0.000 0.216 965 P C 1.794 179.211 177.300 0.195 0.000 1.153 965 P CA 1.520 64.720 63.100 0.168 0.000 0.858 965 P CB -0.103 31.683 31.700 0.144 0.000 0.789 966 R N -1.102 119.424 120.500 0.043 0.000 2.073 966 R HA -0.117 4.222 4.340 -0.001 0.000 0.234 966 R C 2.357 178.694 176.300 0.061 0.000 1.134 966 R CA 1.740 57.868 56.100 0.046 0.000 0.952 966 R CB -1.303 28.996 30.300 -0.001 0.000 0.850 966 R HN 0.233 nan 8.270 nan 0.000 0.433 967 C N -0.323 119.004 119.300 0.044 0.000 2.413 967 C HA -0.175 4.285 4.460 -0.001 0.000 0.276 967 C C 2.412 177.471 174.990 0.116 0.000 1.248 967 C CA 0.284 59.342 59.018 0.068 0.000 1.742 967 C CB -1.148 26.634 27.740 0.070 0.000 2.017 967 C HN 0.666 nan 8.230 nan 0.000 0.481 968 W N 1.774 123.060 121.300 -0.023 0.000 2.354 968 W HA -0.171 4.489 4.660 -0.001 0.000 0.315 968 W C 2.188 178.668 176.519 -0.064 0.000 1.206 968 W CA 2.229 59.563 57.345 -0.018 0.000 1.290 968 W CB -0.830 28.683 29.460 0.089 0.000 1.152 968 W HN 0.402 nan 8.180 nan 0.000 0.489 969 D N 0.037 120.522 120.400 0.142 0.000 2.104 969 D HA -0.240 4.399 4.640 -0.001 0.000 0.194 969 D C 2.002 178.265 176.300 -0.061 0.000 0.994 969 D CA 2.223 56.223 54.000 -0.001 0.000 0.830 969 D CB -0.338 40.490 40.800 0.046 0.000 0.959 969 D HN 0.263 nan 8.370 nan 0.000 0.452 970 E N -0.660 119.522 120.200 -0.029 0.000 2.106 970 E HA -0.127 4.223 4.350 -0.001 0.000 0.192 970 E C 2.236 178.788 176.600 -0.080 0.000 0.984 970 E CA 0.586 56.961 56.400 -0.041 0.000 0.806 970 E CB -0.180 29.510 29.700 -0.016 0.000 0.750 970 E HN 0.358 nan 8.360 nan 0.000 0.458 971 C N 0.748 119.976 119.300 -0.119 0.000 2.446 971 C HA -0.045 4.415 4.460 -0.001 0.000 0.277 971 C C 2.557 177.403 174.990 -0.239 0.000 1.275 971 C CA 0.373 59.290 59.018 -0.167 0.000 1.727 971 C CB -0.963 26.664 27.740 -0.189 0.000 2.010 971 C HN 0.377 nan 8.230 nan 0.000 0.486 972 L N 0.553 121.562 121.223 -0.358 0.000 2.042 972 L HA -0.201 4.139 4.340 -0.001 0.000 0.210 972 L C 2.717 179.492 176.870 -0.157 0.000 1.076 972 L CA 1.872 56.489 54.840 -0.372 0.000 0.749 972 L CB -0.530 41.256 42.059 -0.456 0.000 0.893 972 L HN 0.399 nan 8.230 nan 0.000 0.432 973 K N -0.413 119.927 120.400 -0.101 0.000 2.007 973 K HA -0.104 4.216 4.320 -0.001 0.000 0.206 973 K C 2.296 178.874 176.600 -0.037 0.000 1.047 973 K CA 1.611 57.875 56.287 -0.038 0.000 0.937 973 K CB -0.192 32.292 32.500 -0.026 0.000 0.718 973 K HN 0.321 nan 8.250 nan 0.000 0.438 974 S N 0.587 116.256 115.700 -0.051 0.000 2.453 974 S HA -0.093 4.376 4.470 -0.001 0.000 0.231 974 S C 1.970 176.545 174.600 -0.042 0.000 1.005 974 S CA 1.218 59.393 58.200 -0.041 0.000 0.949 974 S CB -0.172 63.002 63.200 -0.043 0.000 0.774 974 S HN 0.260 nan 8.310 nan 0.000 0.510 975 S N 0.661 116.328 115.700 -0.056 0.000 2.558 975 S HA 0.123 4.593 4.470 -0.001 0.000 0.217 975 S C 0.607 175.187 174.600 -0.033 0.000 0.975 975 S CA 0.076 58.248 58.200 -0.046 0.000 0.912 975 S CB -0.773 62.393 63.200 -0.056 0.000 0.776 975 S HN 0.566 nan 8.310 nan 0.000 0.526 976 Q N -0.419 119.365 119.800 -0.027 0.000 2.451 976 Q HA -0.278 4.062 4.340 -0.001 0.000 0.305 976 Q C 0.187 176.170 176.000 -0.028 0.000 1.345 976 Q CA 0.725 56.522 55.803 -0.010 0.000 0.854 976 Q CB -2.396 26.335 28.738 -0.012 0.000 1.162 976 Q HN 0.817 nan 8.270 nan 0.000 0.440 977 Y N -0.461 119.708 120.300 -0.218 0.000 2.114 977 Y HA -0.334 4.215 4.550 -0.001 0.000 0.282 977 Y C 1.595 177.322 175.900 -0.288 0.000 1.165 977 Y CA 2.532 60.433 58.100 -0.331 0.000 1.148 977 Y CB -0.223 37.899 38.460 -0.563 0.000 0.972 977 Y HN 0.410 nan 8.280 nan 0.000 0.504 978 Y N -0.726 119.567 120.300 -0.012 0.000 2.242 978 Y HA -0.137 4.413 4.550 -0.001 0.000 0.291 978 Y C 2.641 178.467 175.900 -0.124 0.000 1.137 978 Y CA 0.845 58.894 58.100 -0.084 0.000 1.181 978 Y CB -0.755 37.716 38.460 0.019 0.000 0.989 978 Y HN 0.221 nan 8.280 nan 0.000 0.527 979 A N 0.469 123.320 122.820 0.052 0.000 1.902 979 A HA -0.171 4.149 4.320 -0.001 0.000 0.217 979 A C 2.204 179.755 177.584 -0.055 0.000 1.181 979 A CA 1.438 53.477 52.037 0.003 0.000 0.623 979 A CB -0.468 18.538 19.000 0.009 0.000 0.818 979 A HN 0.354 nan 8.150 nan 0.000 0.443 980 R N -0.630 119.803 120.500 -0.112 0.000 2.115 980 R HA -0.073 4.267 4.340 -0.001 0.000 0.226 980 R C 2.263 178.448 176.300 -0.192 0.000 1.100 980 R CA 1.327 57.342 56.100 -0.141 0.000 0.980 980 R CB -0.227 29.982 30.300 -0.152 0.000 0.875 980 R HN 0.600 nan 8.270 nan 0.000 0.445 981 K N 0.514 120.731 120.400 -0.304 0.000 2.097 981 K HA -0.096 4.224 4.320 -0.001 0.000 0.206 981 K C 1.917 178.442 176.600 -0.125 0.000 1.049 981 K CA 1.575 57.683 56.287 -0.298 0.000 0.933 981 K CB 0.110 32.348 32.500 -0.437 0.000 0.717 981 K HN -0.005 nan 8.250 nan 0.000 0.442 982 S N 1.155 116.809 115.700 -0.077 0.000 2.356 982 S HA -0.111 4.359 4.470 -0.001 0.000 0.223 982 S C 1.611 176.202 174.600 -0.015 0.000 1.032 982 S CA 1.122 59.306 58.200 -0.028 0.000 1.005 982 S CB -0.205 62.989 63.200 -0.011 0.000 0.867 982 S HN 0.350 nan 8.310 nan 0.000 0.449 983 E N 0.966 121.153 120.200 -0.022 0.000 2.077 983 E HA -0.074 4.276 4.350 -0.001 0.000 0.193 983 E C 2.298 178.920 176.600 0.036 0.000 0.989 983 E CA 0.673 57.077 56.400 0.007 0.000 0.800 983 E CB -0.618 29.078 29.700 -0.008 0.000 0.746 983 E HN 0.317 nan 8.360 nan 0.000 0.452 984 V N 2.353 122.260 119.914 -0.011 0.000 2.287 984 V HA -0.265 3.855 4.120 -0.001 0.000 0.248 984 V C 1.879 178.016 176.094 0.073 0.000 1.053 984 V CA 2.121 64.425 62.300 0.007 0.000 1.027 984 V CB -0.489 31.299 31.823 -0.058 0.000 0.646 984 V HN 0.152 nan 8.190 nan 0.000 0.447 985 D N -0.280 120.139 120.400 0.032 0.000 2.123 985 D HA -0.202 4.437 4.640 -0.001 0.000 0.196 985 D C 2.137 178.465 176.300 0.047 0.000 0.992 985 D CA 1.511 55.532 54.000 0.034 0.000 0.833 985 D CB -0.253 40.554 40.800 0.012 0.000 0.954 985 D HN 0.422 nan 8.370 nan 0.000 0.455 986 K N -0.144 120.286 120.400 0.050 0.000 2.032 986 K HA -0.179 4.141 4.320 -0.001 0.000 0.209 986 K C 2.193 178.831 176.600 0.064 0.000 1.048 986 K CA 0.906 57.219 56.287 0.043 0.000 0.927 986 K CB -0.357 32.168 32.500 0.042 0.000 0.712 986 K HN 0.052 nan 8.250 nan 0.000 0.441 987 F N 2.066 122.002 119.950 -0.023 0.000 2.126 987 F HA -0.231 4.296 4.527 -0.000 0.000 0.299 987 F C 1.713 177.500 175.800 -0.022 0.000 1.096 987 F CA 1.665 59.654 58.000 -0.018 0.000 1.255 987 F CB -0.159 38.832 39.000 -0.014 0.000 0.997 987 F HN 0.155 nan 8.300 nan 0.000 0.479 988 N N 0.420 119.231 118.700 0.184 0.000 2.396 988 N HA -0.097 4.642 4.740 -0.001 0.000 0.180 988 N C 1.513 176.996 175.510 -0.044 0.000 1.028 988 N CA 0.939 54.041 53.050 0.087 0.000 0.893 988 N CB -0.238 38.311 38.487 0.104 0.000 0.967 988 N HN 0.403 nan 8.380 nan 0.000 0.440 989 K N 0.544 120.912 120.400 -0.053 0.000 2.243 989 K HA 0.071 4.391 4.320 -0.001 0.000 0.201 989 K C 0.984 177.510 176.600 -0.124 0.000 1.051 989 K CA 0.660 56.899 56.287 -0.080 0.000 0.970 989 K CB 0.250 32.719 32.500 -0.052 0.000 0.755 989 K HN 0.283 nan 8.250 nan 0.000 0.465 990 E N 0.125 120.220 120.200 -0.174 0.000 2.476 990 E HA 0.082 4.432 4.350 -0.001 0.000 0.199 990 E C -0.198 176.231 176.600 -0.285 0.000 1.021 990 E CA 0.024 56.300 56.400 -0.206 0.000 0.907 990 E CB 0.425 30.007 29.700 -0.197 0.000 0.974 990 E HN 0.196 nan 8.360 nan 0.000 0.489 991 N N 0.068 118.557 118.700 -0.351 0.000 2.258 991 N HA 0.108 4.847 4.740 -0.001 0.000 0.299 991 N C -0.460 174.920 175.510 -0.217 0.000 1.047 991 N CA -0.255 52.592 53.050 -0.339 0.000 0.814 991 N CB 2.197 40.306 38.487 -0.630 0.000 1.413 991 N HN -0.034 nan 8.380 nan 0.000 0.478 992 C N 1.398 120.584 119.300 -0.191 0.000 2.520 992 C HA 0.219 4.679 4.460 -0.001 0.000 0.291 992 C C 1.092 175.877 174.990 -0.342 0.000 1.364 992 C CA -0.078 58.723 59.018 -0.361 0.000 1.781 992 C CB -0.618 26.832 27.740 -0.484 0.000 2.171 992 C HN 0.889 nan 8.230 nan 0.000 0.516 993 W N 1.523 122.896 121.300 0.121 0.000 3.132 993 W HA 0.418 5.077 4.660 -0.001 0.000 0.364 993 W C 0.507 177.088 176.519 0.102 0.000 1.129 993 W CA -0.328 57.090 57.345 0.120 0.000 1.815 993 W CB 0.206 29.707 29.460 0.067 0.000 1.099 993 W HN 0.060 nan 8.180 nan 0.000 0.605 994 K N 1.288 121.849 120.400 0.268 0.000 2.371 994 K HA 0.458 4.778 4.320 -0.001 0.000 0.251 994 K C -0.216 176.606 176.600 0.371 0.000 0.934 994 K CA -0.910 55.561 56.287 0.307 0.000 0.798 994 K CB 2.309 35.036 32.500 0.378 0.000 1.204 994 K HN -0.424 nan 8.250 nan 0.000 0.427 995 K N 2.187 122.779 120.400 0.319 0.000 2.477 995 K HA 0.482 4.801 4.320 -0.001 0.000 0.255 995 K C -0.570 176.103 176.600 0.121 0.000 0.952 995 K CA -0.817 55.646 56.287 0.293 0.000 0.826 995 K CB 2.450 35.042 32.500 0.154 0.000 1.331 995 K HN 0.531 nan 8.250 nan 0.000 0.437 996 R N -0.251 120.273 120.500 0.039 0.000 2.720 996 R HA 0.728 5.067 4.340 -0.001 0.000 0.272 996 R C 0.028 176.302 176.300 -0.044 0.000 0.991 996 R CA -0.942 55.076 56.100 -0.135 0.000 1.010 996 R CB 1.853 31.938 30.300 -0.359 0.000 1.141 996 R HN 0.762 nan 8.270 nan 0.000 0.494 997 G N 0.815 109.579 108.800 -0.059 0.000 2.659 997 G HA2 0.600 4.559 3.960 -0.001 0.000 0.296 997 G HA3 0.600 4.559 3.960 -0.001 0.000 0.296 997 G C -2.084 172.797 174.900 -0.032 0.000 1.369 997 G CA -0.414 44.670 45.100 -0.026 0.000 0.937 997 G HN 0.343 nan 8.290 nan 0.000 0.485 998 L N 0.560 121.778 121.223 -0.009 0.000 2.464 998 L HA 0.833 5.173 4.340 -0.001 0.000 0.266 998 L C -1.063 175.863 176.870 0.093 0.000 0.965 998 L CA -0.592 54.249 54.840 0.002 0.000 0.833 998 L CB 1.799 43.799 42.059 -0.098 0.000 1.296 998 L HN 0.833 nan 8.230 nan 0.000 0.405 999 C N 5.205 124.590 119.300 0.142 0.000 2.985 999 C HA 0.709 5.169 4.460 -0.001 0.000 0.314 999 C C -1.204 173.855 174.990 0.114 0.000 1.215 999 C CA -0.802 58.319 59.018 0.172 0.000 1.414 999 C CB 1.188 29.026 27.740 0.163 0.000 1.842 999 C HN 0.929 nan 8.230 nan 0.000 0.477 1000 I N 5.964 126.540 120.570 0.011 0.000 2.436 1000 I HA 0.690 4.860 4.170 -0.001 0.000 0.289 1000 I C -1.367 174.775 176.117 0.043 0.000 1.010 1000 I CA -0.514 60.691 61.300 -0.157 0.000 1.098 1000 I CB 1.001 38.581 38.000 -0.700 0.000 1.266 1000 I HN 0.512 nan 8.210 nan 0.000 0.434 1001 I N 9.403 130.045 120.570 0.120 0.000 2.499 1001 I HA 0.502 4.672 4.170 -0.001 0.000 0.288 1001 I C -2.504 173.802 176.117 0.316 0.000 1.048 1001 I CA -2.224 59.205 61.300 0.216 0.000 1.062 1001 I CB 1.845 39.892 38.000 0.079 0.000 1.238 1001 I HN 0.360 nan 8.210 nan 0.000 0.426 1002 P HA 0.465 nan 4.420 nan 0.000 0.283 1002 P C -0.646 176.828 177.300 0.291 0.000 1.271 1002 P CA -0.399 62.884 63.100 0.306 0.000 0.841 1002 P CB 2.408 34.209 31.700 0.169 0.000 1.122 1003 T N -0.790 113.939 114.554 0.291 0.000 2.894 1003 T HA 0.556 4.906 4.350 -0.001 0.000 0.309 1003 T C -1.468 173.429 174.700 0.329 0.000 1.208 1003 T CA -0.711 61.587 62.100 0.331 0.000 1.016 1003 T CB 1.032 70.185 68.868 0.475 0.000 1.192 1003 T HN 0.623 nan 8.240 nan 0.000 0.491 1004 K N 2.078 122.672 120.400 0.323 0.000 2.426 1004 K HA 0.778 5.098 4.320 -0.001 0.000 0.251 1004 K C -1.912 174.918 176.600 0.383 0.000 0.941 1004 K CA -0.905 55.581 56.287 0.331 0.000 0.808 1004 K CB 2.126 34.857 32.500 0.385 0.000 1.265 1004 K HN 0.447 nan 8.250 nan 0.000 0.432 1005 F N 0.974 120.990 119.950 0.110 0.000 2.585 1005 F HA 0.446 4.973 4.527 -0.001 0.000 0.319 1005 F C -0.300 175.419 175.800 -0.135 0.000 1.165 1005 F CA -0.263 57.801 58.000 0.107 0.000 0.949 1005 F CB 2.127 41.108 39.000 -0.032 0.000 1.218 1005 F HN 0.823 nan 8.300 nan 0.000 0.453 1006 G N 6.127 114.489 108.800 -0.730 0.000 2.403 1006 G HA2 0.454 4.413 3.960 -0.001 0.000 0.259 1006 G HA3 0.454 4.413 3.960 -0.001 0.000 0.259 1006 G C -0.860 173.307 174.900 -1.221 0.000 1.244 1006 G CA -0.443 43.586 45.100 -1.785 0.000 0.849 1006 G HN 0.474 nan 8.290 nan 0.000 0.532 1007 I N 1.661 121.696 120.570 -0.891 0.000 2.330 1007 I HA 0.508 4.678 4.170 -0.001 0.000 0.286 1007 I C 0.198 176.132 176.117 -0.305 0.000 1.025 1007 I CA -0.228 60.730 61.300 -0.571 0.000 1.197 1007 I CB -0.036 37.368 38.000 -0.992 0.000 1.358 1007 I HN 0.429 nan 8.210 nan 0.000 0.467 1008 S N 4.481 120.083 115.700 -0.163 0.000 2.798 1008 S HA 0.212 4.682 4.470 -0.001 0.000 0.277 1008 S C -0.733 173.781 174.600 -0.142 0.000 0.840 1008 S CA -0.934 57.185 58.200 -0.134 0.000 0.967 1008 S CB 0.192 63.354 63.200 -0.063 0.000 1.219 1008 S HN 0.288 nan 8.310 nan 0.000 0.481 1009 F N 2.245 122.131 119.950 -0.107 0.000 2.578 1009 F HA 0.103 4.629 4.527 -0.000 0.000 0.376 1009 F C 2.336 178.055 175.800 -0.134 0.000 1.085 1009 F CA 0.904 58.824 58.000 -0.133 0.000 1.260 1009 F CB 0.633 39.531 39.000 -0.170 0.000 1.095 1009 F HN 0.796 nan 8.300 nan 0.000 0.573 1010 T N -0.975 113.640 114.554 0.103 0.000 3.007 1010 T HA -0.012 4.337 4.350 -0.001 0.000 0.270 1010 T C 0.524 175.258 174.700 0.057 0.000 1.107 1010 T CA 0.246 62.367 62.100 0.036 0.000 1.118 1010 T CB -0.434 68.572 68.868 0.230 0.000 0.889 1010 T HN 0.193 nan 8.240 nan 0.000 0.506 1011 V N 3.906 123.832 119.914 0.019 0.000 2.353 1011 V HA 0.220 4.340 4.120 -0.001 0.000 0.264 1011 V C -1.294 174.667 176.094 -0.222 0.000 1.049 1011 V CA -1.689 60.519 62.300 -0.154 0.000 0.896 1011 V CB 1.204 32.795 31.823 -0.387 0.000 1.025 1011 V HN 0.158 nan 8.190 nan 0.000 0.475 1012 P HA -0.205 nan 4.420 nan 0.000 0.216 1012 P C 1.602 178.868 177.300 -0.058 0.000 1.154 1012 P CA 1.490 64.554 63.100 -0.059 0.000 0.865 1012 P CB -0.026 31.679 31.700 0.008 0.000 0.789 1013 F N -1.352 118.581 119.950 -0.028 0.000 2.408 1013 F HA -0.031 4.496 4.527 -0.000 0.000 0.300 1013 F C 1.563 177.297 175.800 -0.110 0.000 1.090 1013 F CA 0.878 58.847 58.000 -0.052 0.000 1.427 1013 F CB -1.786 37.193 39.000 -0.036 0.000 1.070 1013 F HN -0.174 nan 8.300 nan 0.000 0.549 1014 L N 0.671 121.672 121.223 -0.370 0.000 2.478 1014 L HA -0.015 4.325 4.340 -0.001 0.000 0.223 1014 L C 0.749 177.465 176.870 -0.257 0.000 1.140 1014 L CA 0.349 54.893 54.840 -0.493 0.000 0.842 1014 L CB -0.719 40.597 42.059 -1.238 0.000 0.953 1014 L HN 0.146 nan 8.230 nan 0.000 0.452 1015 N N 2.620 121.289 118.700 -0.052 0.000 3.254 1015 N HA 0.039 4.779 4.740 -0.001 0.000 0.308 1015 N C -0.398 175.043 175.510 -0.116 0.000 1.281 1015 N CA 0.195 53.254 53.050 0.015 0.000 1.212 1015 N CB 0.180 38.660 38.487 -0.012 0.000 1.478 1015 N HN 0.536 nan 8.380 nan 0.000 0.548 1016 Q N -0.968 118.751 119.800 -0.136 0.000 2.379 1016 Q HA 0.811 5.151 4.340 -0.001 0.000 0.278 1016 Q C -1.854 173.951 176.000 -0.325 0.000 1.068 1016 Q CA -1.272 54.359 55.803 -0.287 0.000 0.816 1016 Q CB 2.253 30.941 28.738 -0.085 0.000 1.387 1016 Q HN 0.071 nan 8.270 nan 0.000 0.413 1017 A N 0.790 123.262 122.820 -0.580 0.000 2.517 1017 A HA 0.857 5.176 4.320 -0.001 0.000 0.297 1017 A C -0.804 176.653 177.584 -0.212 0.000 1.050 1017 A CA -0.142 51.686 52.037 -0.349 0.000 0.694 1017 A CB 1.855 20.479 19.000 -0.626 0.000 1.277 1017 A HN 0.912 nan 8.150 nan 0.000 0.400 1018 G N -0.066 108.878 108.800 0.241 0.000 2.453 1018 G HA2 0.863 4.822 3.960 -0.001 0.000 0.323 1018 G HA3 0.863 4.822 3.960 -0.001 0.000 0.323 1018 G C -0.392 174.706 174.900 0.331 0.000 1.198 1018 G CA 0.026 45.334 45.100 0.348 0.000 0.959 1018 G HN 1.833 nan 8.290 nan 0.000 0.482 1019 A N 0.044 123.016 122.820 0.253 0.000 2.527 1019 A HA 0.834 5.154 4.320 -0.001 0.000 0.293 1019 A C -1.742 175.904 177.584 0.103 0.000 1.117 1019 A CA -0.648 51.500 52.037 0.185 0.000 0.723 1019 A CB 2.153 21.257 19.000 0.174 0.000 1.313 1019 A HN 1.413 nan 8.150 nan 0.000 0.411 1020 L N 1.213 122.450 121.223 0.023 0.000 2.439 1020 L HA 0.750 5.090 4.340 -0.001 0.000 0.270 1020 L C -1.582 175.165 176.870 -0.204 0.000 0.972 1020 L CA -0.097 54.698 54.840 -0.075 0.000 0.836 1020 L CB 1.311 43.314 42.059 -0.093 0.000 1.255 1020 L HN 0.612 nan 8.230 nan 0.000 0.404 1021 I N 4.653 125.097 120.570 -0.210 0.000 2.498 1021 I HA 0.442 4.612 4.170 -0.001 0.000 0.290 1021 I C -0.950 175.020 176.117 -0.245 0.000 1.032 1021 I CA -0.777 60.399 61.300 -0.207 0.000 1.073 1021 I CB 1.718 39.693 38.000 -0.042 0.000 1.251 1021 I HN 0.544 nan 8.210 nan 0.000 0.426 1022 H N 5.126 124.150 119.070 -0.077 0.000 2.495 1022 H HA 0.503 5.059 4.556 -0.000 0.000 0.348 1022 H C -0.807 174.368 175.328 -0.255 0.000 1.113 1022 H CA -0.797 55.106 56.048 -0.241 0.000 1.195 1022 H CB 2.443 31.916 29.762 -0.481 0.000 1.521 1022 H HN 0.158 nan 8.280 nan 0.000 0.509 1023 V N 4.542 124.397 119.914 -0.099 0.000 2.384 1023 V HA 0.198 4.318 4.120 -0.001 0.000 0.287 1023 V C -0.270 175.714 176.094 -0.183 0.000 1.020 1023 V CA -0.781 61.498 62.300 -0.036 0.000 0.850 1023 V CB 0.107 31.985 31.823 0.090 0.000 0.987 1023 V HN 0.585 nan 8.190 nan 0.000 0.436 1024 Y N 1.912 122.259 120.300 0.079 0.000 2.295 1024 Y HA 0.214 4.764 4.550 -0.001 0.000 0.331 1024 Y C 2.103 177.965 175.900 -0.063 0.000 1.311 1024 Y CA 0.157 58.251 58.100 -0.009 0.000 1.430 1024 Y CB 0.831 39.287 38.460 -0.007 0.000 1.339 1024 Y HN 0.733 nan 8.280 nan 0.000 0.552 1025 T N -3.462 111.105 114.554 0.021 0.000 3.113 1025 T HA -0.130 4.219 4.350 -0.001 0.000 0.263 1025 T C 0.816 175.476 174.700 -0.066 0.000 1.143 1025 T CA 0.978 63.001 62.100 -0.129 0.000 1.090 1025 T CB -0.357 68.301 68.868 -0.351 0.000 0.922 1025 T HN 0.736 nan 8.240 nan 0.000 0.521 1026 D N 0.836 121.241 120.400 0.009 0.000 2.340 1026 D HA 0.174 4.813 4.640 -0.001 0.000 0.220 1026 D C 1.703 178.053 176.300 0.083 0.000 1.039 1026 D CA 0.592 54.605 54.000 0.023 0.000 0.866 1026 D CB -0.727 40.084 40.800 0.020 0.000 0.913 1026 D HN 0.554 nan 8.370 nan 0.000 0.523 1027 G N 0.474 109.346 108.800 0.119 0.000 2.176 1027 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.253 1027 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.253 1027 G C 0.386 175.566 174.900 0.467 0.000 0.979 1027 G CA 0.476 45.751 45.100 0.291 0.000 0.641 1027 G HN 0.840 nan 8.290 nan 0.000 0.530 1028 S N -0.540 115.338 115.700 0.296 0.000 2.576 1028 S HA 0.663 5.133 4.470 -0.001 0.000 0.276 1028 S C 0.088 174.887 174.600 0.331 0.000 1.339 1028 S CA -0.056 58.305 58.200 0.269 0.000 1.039 1028 S CB 2.430 65.742 63.200 0.186 0.000 0.902 1028 S HN 1.089 nan 8.310 nan 0.000 0.516 1029 V N 3.310 123.385 119.914 0.268 0.000 2.555 1029 V HA 0.546 4.665 4.120 -0.001 0.000 0.302 1029 V C -0.556 175.678 176.094 0.232 0.000 1.038 1029 V CA -0.847 61.590 62.300 0.228 0.000 0.887 1029 V CB 1.390 33.316 31.823 0.173 0.000 0.991 1029 V HN 0.886 nan 8.190 nan 0.000 0.434 1030 L N 6.032 127.382 121.223 0.212 0.000 2.319 1030 L HA 0.681 5.020 4.340 -0.001 0.000 0.281 1030 L C -0.585 176.313 176.870 0.046 0.000 1.005 1030 L CA 0.029 54.998 54.840 0.214 0.000 0.828 1030 L CB 1.637 43.933 42.059 0.396 0.000 1.227 1030 L HN 0.456 nan 8.230 nan 0.000 0.415 1031 V N 3.889 123.815 119.914 0.019 0.000 2.435 1031 V HA 0.672 4.792 4.120 -0.001 0.000 0.290 1031 V C 0.020 176.075 176.094 -0.066 0.000 1.030 1031 V CA -0.374 61.912 62.300 -0.023 0.000 0.881 1031 V CB 1.553 33.387 31.823 0.018 0.000 0.983 1031 V HN 0.830 nan 8.190 nan 0.000 0.445 1032 S N 4.420 120.076 115.700 -0.073 0.000 2.521 1032 S HA 0.740 5.210 4.470 -0.001 0.000 0.295 1032 S C -0.909 173.676 174.600 -0.025 0.000 1.098 1032 S CA -0.615 57.514 58.200 -0.118 0.000 0.999 1032 S CB 0.912 64.043 63.200 -0.116 0.000 1.034 1032 S HN 1.052 nan 8.310 nan 0.000 0.483 1033 H N 0.840 119.849 119.070 -0.101 0.000 2.990 1033 H HA 0.457 5.012 4.556 -0.001 0.000 0.343 1033 H C 0.731 175.914 175.328 -0.242 0.000 1.270 1033 H CA -0.524 55.465 56.048 -0.098 0.000 1.118 1033 H CB 1.086 30.806 29.762 -0.069 0.000 1.861 1033 H HN 0.683 nan 8.280 nan 0.000 0.544 1034 G N -0.111 108.552 108.800 -0.229 0.000 2.650 1034 G HA2 0.112 4.071 3.960 -0.001 0.000 0.214 1034 G HA3 0.112 4.071 3.960 -0.001 0.000 0.214 1034 G C 0.699 175.263 174.900 -0.559 0.000 1.136 1034 G CA 0.347 45.290 45.100 -0.261 0.000 0.789 1034 G HN 0.799 nan 8.290 nan 0.000 0.536 1035 G N -0.036 108.154 108.800 -1.017 0.000 2.476 1035 G HA2 0.460 4.420 3.960 -0.001 0.000 0.269 1035 G HA3 0.460 4.420 3.960 -0.001 0.000 0.269 1035 G C 0.052 174.803 174.900 -0.249 0.000 1.195 1035 G CA 0.323 45.090 45.100 -0.555 0.000 0.843 1035 G HN 0.349 nan 8.290 nan 0.000 0.545 1036 T N -1.450 113.017 114.554 -0.145 0.000 2.918 1036 T HA 0.560 4.910 4.350 -0.001 0.000 0.286 1036 T C -0.412 174.141 174.700 -0.245 0.000 1.026 1036 T CA -0.808 61.202 62.100 -0.150 0.000 1.031 1036 T CB 2.269 71.076 68.868 -0.102 0.000 1.046 1036 T HN 0.457 nan 8.240 nan 0.000 0.479 1037 E N 2.232 122.229 120.200 -0.338 0.000 2.167 1037 E HA 0.401 4.751 4.350 -0.001 0.000 0.284 1037 E C 0.428 176.939 176.600 -0.149 0.000 1.016 1037 E CA -0.645 55.549 56.400 -0.343 0.000 0.817 1037 E CB 0.731 30.175 29.700 -0.425 0.000 1.080 1037 E HN 0.777 nan 8.360 nan 0.000 0.397 1038 M N 2.429 121.955 119.600 -0.123 0.000 2.414 1038 M HA 0.486 4.966 4.480 -0.001 0.000 0.357 1038 M C 0.775 177.019 176.300 -0.094 0.000 1.059 1038 M CA 0.170 55.394 55.300 -0.126 0.000 0.959 1038 M CB 0.820 33.291 32.600 -0.214 0.000 1.522 1038 M HN 0.587 nan 8.290 nan 0.000 0.551 1039 G N 1.775 110.578 108.800 0.005 0.000 2.211 1039 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.201 1039 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.201 1039 G C 0.775 175.746 174.900 0.118 0.000 0.997 1039 G CA 0.338 45.477 45.100 0.064 0.000 0.652 1039 G HN 0.597 nan 8.290 nan 0.000 0.500 1040 Q N 1.463 121.296 119.800 0.055 0.000 2.451 1040 Q HA 0.325 4.665 4.340 -0.001 0.000 0.206 1040 Q C 1.583 177.612 176.000 0.048 0.000 0.947 1040 Q CA 1.360 57.193 55.803 0.049 0.000 0.937 1040 Q CB -0.272 28.468 28.738 0.003 0.000 1.025 1040 Q HN 1.888 nan 8.270 nan 0.000 0.511 1041 G N 1.875 110.698 108.800 0.038 0.000 2.160 1041 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.244 1041 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.244 1041 G C 0.367 175.176 174.900 -0.151 0.000 1.022 1041 G CA 0.427 45.438 45.100 -0.150 0.000 0.741 1041 G HN 0.410 nan 8.290 nan 0.000 0.508 1042 L N 0.041 121.179 121.223 -0.141 0.000 2.017 1042 L HA 0.025 4.365 4.340 -0.001 0.000 0.208 1042 L C 2.574 179.417 176.870 -0.044 0.000 1.073 1042 L CA 2.907 57.685 54.840 -0.103 0.000 0.745 1042 L CB -0.471 41.521 42.059 -0.110 0.000 0.894 1042 L HN 0.400 nan 8.230 nan 0.000 0.432 1043 H N -0.844 118.196 119.070 -0.051 0.000 2.353 1043 H HA -0.087 4.469 4.556 -0.000 0.000 0.300 1043 H C 2.159 177.424 175.328 -0.105 0.000 1.090 1043 H CA 1.762 57.788 56.048 -0.038 0.000 1.327 1043 H CB -1.040 28.675 29.762 -0.080 0.000 1.383 1043 H HN 0.369 nan 8.280 nan 0.000 0.508 1044 T N 1.394 115.902 114.554 -0.076 0.000 2.635 1044 T HA -0.168 4.181 4.350 -0.001 0.000 0.267 1044 T C 2.017 176.687 174.700 -0.049 0.000 1.040 1044 T CA 1.754 63.791 62.100 -0.106 0.000 1.156 1044 T CB -0.067 68.679 68.868 -0.202 0.000 0.863 1044 T HN 0.376 nan 8.240 nan 0.000 0.430 1045 K N 0.278 120.650 120.400 -0.046 0.000 2.097 1045 K HA 0.006 4.326 4.320 -0.001 0.000 0.206 1045 K C 2.383 178.980 176.600 -0.006 0.000 1.049 1045 K CA 1.055 57.331 56.287 -0.020 0.000 0.933 1045 K CB -0.149 32.341 32.500 -0.017 0.000 0.717 1045 K HN 0.227 nan 8.250 nan 0.000 0.442 1046 M N 0.341 119.933 119.600 -0.014 0.000 2.175 1046 M HA -0.102 4.377 4.480 -0.001 0.000 0.264 1046 M C 2.258 178.562 176.300 0.008 0.000 1.063 1046 M CA 1.239 56.522 55.300 -0.027 0.000 1.119 1046 M CB -0.630 31.910 32.600 -0.101 0.000 1.377 1046 M HN -0.065 nan 8.290 nan 0.000 0.415 1047 V N 0.473 120.392 119.914 0.008 0.000 2.343 1047 V HA -0.280 3.840 4.120 -0.001 0.000 0.247 1047 V C 2.408 178.503 176.094 0.000 0.000 1.051 1047 V CA 1.593 63.894 62.300 0.002 0.000 1.036 1047 V CB -0.775 31.044 31.823 -0.007 0.000 0.654 1047 V HN 0.515 nan 8.190 nan 0.000 0.451 1048 Q N -0.617 119.181 119.800 -0.003 0.000 2.096 1048 Q HA -0.186 4.154 4.340 -0.001 0.000 0.204 1048 Q C 2.352 178.361 176.000 0.014 0.000 0.982 1048 Q CA 1.900 57.697 55.803 -0.009 0.000 0.850 1048 Q CB -0.362 28.366 28.738 -0.016 0.000 0.901 1048 Q HN 0.547 nan 8.270 nan 0.000 0.422 1049 V N 0.943 120.897 119.914 0.065 0.000 2.295 1049 V HA -0.284 3.835 4.120 -0.001 0.000 0.246 1049 V C 2.296 178.482 176.094 0.152 0.000 1.049 1049 V CA 1.871 64.276 62.300 0.177 0.000 1.024 1049 V CB -1.011 30.926 31.823 0.190 0.000 0.648 1049 V HN 0.413 nan 8.190 nan 0.000 0.447 1050 A N -0.421 122.446 122.820 0.079 0.000 1.908 1050 A HA -0.256 4.064 4.320 -0.001 0.000 0.218 1050 A C 2.585 180.171 177.584 0.003 0.000 1.181 1050 A CA 2.373 54.437 52.037 0.045 0.000 0.627 1050 A CB -0.838 18.177 19.000 0.024 0.000 0.818 1050 A HN 0.534 nan 8.150 nan 0.000 0.445 1051 S N -0.422 115.267 115.700 -0.018 0.000 2.368 1051 S HA -0.226 4.244 4.470 -0.001 0.000 0.225 1051 S C 2.118 176.686 174.600 -0.054 0.000 1.030 1051 S CA 1.957 60.119 58.200 -0.063 0.000 0.999 1051 S CB -0.331 62.833 63.200 -0.060 0.000 0.844 1051 S HN 0.615 nan 8.310 nan 0.000 0.459 1052 K N 0.557 120.942 120.400 -0.024 0.000 2.026 1052 K HA -0.020 4.300 4.320 -0.001 0.000 0.208 1052 K C 2.254 178.884 176.600 0.050 0.000 1.048 1052 K CA 1.280 57.549 56.287 -0.030 0.000 0.929 1052 K CB -0.630 31.788 32.500 -0.136 0.000 0.713 1052 K HN 0.417 nan 8.250 nan 0.000 0.439 1053 A N 1.058 123.953 122.820 0.126 0.000 1.877 1053 A HA -0.094 4.226 4.320 -0.001 0.000 0.216 1053 A C 2.067 179.665 177.584 0.024 0.000 1.186 1053 A CA 1.312 53.423 52.037 0.123 0.000 0.620 1053 A CB -0.548 18.501 19.000 0.082 0.000 0.822 1053 A HN 0.342 nan 8.150 nan 0.000 0.443 1054 L N -1.597 119.617 121.223 -0.015 0.000 2.395 1054 L HA 0.007 4.347 4.340 -0.001 0.000 0.218 1054 L C 0.237 177.063 176.870 -0.073 0.000 1.130 1054 L CA 0.560 55.371 54.840 -0.047 0.000 0.826 1054 L CB -0.226 41.737 42.059 -0.160 0.000 0.941 1054 L HN 0.370 nan 8.230 nan 0.000 0.451 1055 K N 1.201 121.563 120.400 -0.064 0.000 3.162 1055 K HA -0.177 4.143 4.320 -0.001 0.000 0.268 1055 K C -0.399 176.124 176.600 -0.129 0.000 1.062 1055 K CA 0.618 56.877 56.287 -0.047 0.000 0.769 1055 K CB -1.983 30.540 32.500 0.038 0.000 1.274 1055 K HN 0.523 nan 8.250 nan 0.000 0.478 1056 I N -4.276 116.147 120.570 -0.245 0.000 2.934 1056 I HA 0.634 4.804 4.170 -0.001 0.000 0.306 1056 I C -2.707 173.277 176.117 -0.221 0.000 1.110 1056 I CA -3.181 57.914 61.300 -0.341 0.000 1.019 1056 I CB 2.362 39.896 38.000 -0.777 0.000 1.227 1056 I HN -0.291 nan 8.210 nan 0.000 0.434 1057 P HA 0.184 nan 4.420 nan 0.000 0.269 1057 P C 1.122 178.363 177.300 -0.097 0.000 1.209 1057 P CA -0.234 62.802 63.100 -0.108 0.000 0.776 1057 P CB 0.562 32.213 31.700 -0.082 0.000 0.876 1058 I N 0.285 120.819 120.570 -0.060 0.000 2.423 1058 I HA -0.255 3.915 4.170 -0.001 0.000 0.254 1058 I C 1.624 177.733 176.117 -0.013 0.000 1.151 1058 I CA 2.037 63.316 61.300 -0.035 0.000 1.421 1058 I CB -1.055 36.933 38.000 -0.020 0.000 1.079 1058 I HN 0.246 nan 8.210 nan 0.000 0.431 1059 S N 1.253 116.944 115.700 -0.016 0.000 2.469 1059 S HA -0.097 4.372 4.470 -0.001 0.000 0.238 1059 S C 1.760 176.364 174.600 0.007 0.000 0.998 1059 S CA 0.770 58.972 58.200 0.002 0.000 0.957 1059 S CB -0.541 62.655 63.200 -0.007 0.000 0.764 1059 S HN 0.613 nan 8.310 nan 0.000 0.514 1060 K N 0.359 120.746 120.400 -0.021 0.000 2.426 1060 K HA 0.329 4.649 4.320 -0.001 0.000 0.193 1060 K C -0.046 176.581 176.600 0.045 0.000 1.028 1060 K CA 0.263 56.547 56.287 -0.005 0.000 1.047 1060 K CB 0.022 32.468 32.500 -0.089 0.000 0.821 1060 K HN 0.473 nan 8.250 nan 0.000 0.513 1061 I N 0.241 120.841 120.570 0.051 0.000 2.530 1061 I HA 0.255 4.425 4.170 -0.001 0.000 0.297 1061 I C -1.051 175.171 176.117 0.176 0.000 1.011 1061 I CA -1.247 60.106 61.300 0.089 0.000 1.107 1061 I CB 1.305 39.322 38.000 0.028 0.000 1.285 1061 I HN -0.140 nan 8.210 nan 0.000 0.436 1062 Y N 6.000 126.312 120.300 0.020 0.000 2.492 1062 Y HA 0.637 5.187 4.550 -0.001 0.000 0.346 1062 Y C -1.230 174.657 175.900 -0.023 0.000 0.997 1062 Y CA -0.952 57.150 58.100 0.003 0.000 1.025 1062 Y CB 1.745 40.215 38.460 0.018 0.000 1.263 1062 Y HN 0.341 nan 8.280 nan 0.000 0.454 1063 I N 4.278 124.486 120.570 -0.604 0.000 2.410 1063 I HA 0.240 4.409 4.170 -0.001 0.000 0.286 1063 I C 0.470 176.059 176.117 -0.880 0.000 1.009 1063 I CA -0.247 60.694 61.300 -0.598 0.000 1.111 1063 I CB 2.041 39.677 38.000 -0.607 0.000 1.262 1063 I HN 0.702 nan 8.210 nan 0.000 0.443 1064 S N 5.205 120.608 115.700 -0.496 0.000 2.404 1064 S HA 0.122 4.591 4.470 -0.001 0.000 0.223 1064 S C 0.361 174.834 174.600 -0.211 0.000 1.040 1064 S CA 0.745 58.785 58.200 -0.268 0.000 0.957 1064 S CB 0.230 63.473 63.200 0.071 0.000 0.826 1064 S HN 0.820 nan 8.310 nan 0.000 0.491 1065 E N -1.353 118.712 120.200 -0.226 0.000 2.427 1065 E HA 0.338 4.687 4.350 -0.001 0.000 0.279 1065 E C -1.684 174.804 176.600 -0.186 0.000 1.120 1065 E CA -0.999 55.315 56.400 -0.143 0.000 0.869 1065 E CB 0.597 30.274 29.700 -0.039 0.000 1.393 1065 E HN -0.033 nan 8.360 nan 0.000 0.443 1066 T N 1.202 115.682 114.554 -0.124 0.000 2.794 1066 T HA 0.665 5.014 4.350 -0.001 0.000 0.280 1066 T C -0.872 173.770 174.700 -0.097 0.000 0.987 1066 T CA -0.414 61.593 62.100 -0.155 0.000 0.993 1066 T CB 1.128 69.908 68.868 -0.147 0.000 0.939 1066 T HN 0.606 nan 8.240 nan 0.000 0.449 1067 S N 0.238 115.883 115.700 -0.091 0.000 2.537 1067 S HA 0.411 4.881 4.470 -0.001 0.000 0.270 1067 S C 0.958 175.527 174.600 -0.053 0.000 1.142 1067 S CA -0.639 57.522 58.200 -0.065 0.000 0.870 1067 S CB 1.361 64.534 63.200 -0.045 0.000 1.112 1067 S HN 0.703 nan 8.310 nan 0.000 0.466 1068 T N -0.984 113.539 114.554 -0.053 0.000 3.072 1068 T HA -0.061 4.289 4.350 -0.001 0.000 0.266 1068 T C 1.105 175.791 174.700 -0.023 0.000 1.127 1068 T CA 1.184 63.261 62.100 -0.038 0.000 1.107 1068 T CB -0.759 68.080 68.868 -0.049 0.000 0.910 1068 T HN 0.739 nan 8.240 nan 0.000 0.513 1069 N N 1.491 120.179 118.700 -0.020 0.000 2.336 1069 N HA -0.000 4.740 4.740 -0.001 0.000 0.189 1069 N C 1.333 176.854 175.510 0.018 0.000 1.113 1069 N CA 0.858 53.907 53.050 -0.002 0.000 0.858 1069 N CB -0.274 38.211 38.487 -0.004 0.000 0.970 1069 N HN 0.649 nan 8.380 nan 0.000 0.471 1070 T N -3.273 111.288 114.554 0.012 0.000 3.085 1070 T HA 0.276 4.626 4.350 -0.001 0.000 0.241 1070 T C 0.381 175.096 174.700 0.025 0.000 0.988 1070 T CA 0.044 62.159 62.100 0.025 0.000 1.117 1070 T CB -0.096 68.777 68.868 0.010 0.000 0.978 1070 T HN -0.110 nan 8.240 nan 0.000 0.454 1071 V N 4.694 124.617 119.914 0.016 0.000 2.380 1071 V HA 0.512 4.632 4.120 -0.001 0.000 0.286 1071 V C -2.576 173.547 176.094 0.048 0.000 1.015 1071 V CA -1.958 60.372 62.300 0.051 0.000 0.834 1071 V CB 1.743 33.606 31.823 0.065 0.000 1.009 1071 V HN 0.369 nan 8.190 nan 0.000 0.428 1072 P HA 0.395 nan 4.420 nan 0.000 0.281 1072 P C -0.188 177.149 177.300 0.061 0.000 1.264 1072 P CA -0.312 62.810 63.100 0.037 0.000 0.824 1072 P CB 0.703 32.415 31.700 0.021 0.000 1.092 1073 N N -1.933 116.788 118.700 0.034 0.000 2.747 1073 N HA -0.127 4.612 4.740 -0.001 0.000 0.249 1073 N C -0.218 175.339 175.510 0.079 0.000 1.107 1073 N CA 1.026 54.100 53.050 0.040 0.000 0.707 1073 N CB -2.351 36.161 38.487 0.042 0.000 1.054 1073 N HN 0.632 nan 8.380 nan 0.000 0.555 1074 S N -1.547 114.201 115.700 0.080 0.000 2.564 1074 S HA 0.460 4.930 4.470 -0.001 0.000 0.278 1074 S C 0.743 175.392 174.600 0.082 0.000 1.333 1074 S CA -0.619 57.657 58.200 0.127 0.000 1.048 1074 S CB 1.706 64.979 63.200 0.122 0.000 0.900 1074 S HN 0.194 nan 8.310 nan 0.000 0.505 1075 S N 3.903 119.660 115.700 0.095 0.000 2.584 1075 S HA 0.312 4.782 4.470 -0.001 0.000 0.270 1075 S C -2.007 172.639 174.600 0.077 0.000 1.346 1075 S CA -0.791 57.400 58.200 -0.015 0.000 1.018 1075 S CB -0.253 62.854 63.200 -0.156 0.000 0.899 1075 S HN 0.726 nan 8.310 nan 0.000 0.542 1076 P HA 0.054 nan 4.420 nan 0.000 0.269 1076 P C -0.676 176.775 177.300 0.252 0.000 1.215 1076 P CA -0.156 63.014 63.100 0.116 0.000 0.780 1076 P CB -0.024 31.743 31.700 0.112 0.000 0.898 1077 T N 1.764 116.426 114.554 0.179 0.000 2.961 1077 T HA 0.450 4.800 4.350 -0.001 0.000 0.270 1077 T C 0.325 175.115 174.700 0.150 0.000 0.926 1077 T CA 0.399 62.612 62.100 0.189 0.000 1.112 1077 T CB -0.733 68.183 68.868 0.079 0.000 0.926 1077 T HN 0.611 nan 8.240 nan 0.000 0.612 1078 A N 2.084 125.008 122.820 0.174 0.000 2.557 1078 A HA 0.856 5.175 4.320 -0.001 0.000 0.292 1078 A C 0.641 178.046 177.584 -0.298 0.000 1.139 1078 A CA -0.295 51.760 52.037 0.030 0.000 0.665 1078 A CB 0.161 19.253 19.000 0.153 0.000 1.285 1078 A HN 1.456 nan 8.150 nan 0.000 0.433 1079 A N -0.960 121.628 122.820 -0.386 0.000 2.945 1079 A HA 0.026 4.346 4.320 -0.001 0.000 0.263 1079 A C 1.241 178.652 177.584 -0.289 0.000 1.293 1079 A CA 1.842 53.565 52.037 -0.523 0.000 0.944 1079 A CB -2.478 15.774 19.000 -1.247 0.000 1.093 1079 A HN 2.515 nan 8.150 nan 0.000 0.786 1080 S N -4.505 111.096 115.700 -0.164 0.000 3.127 1080 S HA -0.339 4.131 4.470 -0.001 0.000 0.281 1080 S C 1.093 175.642 174.600 -0.086 0.000 1.293 1080 S CA 1.927 60.073 58.200 -0.090 0.000 1.156 1080 S CB -2.426 60.730 63.200 -0.074 0.000 1.389 1080 S HN 2.339 nan 8.310 nan 0.000 0.672 1081 V N -1.966 117.863 119.914 -0.143 0.000 3.621 1081 V HA 0.307 4.427 4.120 -0.001 0.000 0.285 1081 V C 1.610 177.672 176.094 -0.052 0.000 1.346 1081 V CA 0.834 63.070 62.300 -0.106 0.000 1.104 1081 V CB 0.352 32.069 31.823 -0.177 0.000 0.913 1081 V HN 0.365 nan 8.190 nan 0.000 0.432 1082 S N 1.827 117.541 115.700 0.023 0.000 2.359 1082 S HA -0.207 4.262 4.470 -0.001 0.000 0.224 1082 S C 1.984 176.660 174.600 0.127 0.000 1.035 1082 S CA 2.347 60.653 58.200 0.177 0.000 1.018 1082 S CB -0.641 62.735 63.200 0.293 0.000 0.876 1082 S HN 0.768 nan 8.310 nan 0.000 0.448 1083 T N 2.389 116.973 114.554 0.051 0.000 2.684 1083 T HA -0.147 4.203 4.350 -0.001 0.000 0.267 1083 T C 1.428 176.099 174.700 -0.047 0.000 1.036 1083 T CA 1.720 63.825 62.100 0.007 0.000 1.148 1083 T CB -0.732 68.140 68.868 0.007 0.000 0.863 1083 T HN 0.323 nan 8.240 nan 0.000 0.436 1084 D N 1.218 121.587 120.400 -0.052 0.000 2.106 1084 D HA -0.096 4.544 4.640 -0.001 0.000 0.191 1084 D C 2.146 178.295 176.300 -0.250 0.000 0.997 1084 D CA 1.357 55.293 54.000 -0.108 0.000 0.834 1084 D CB -0.404 40.394 40.800 -0.003 0.000 0.956 1084 D HN 0.603 nan 8.370 nan 0.000 0.448 1085 I N -2.772 117.656 120.570 -0.236 0.000 2.429 1085 I HA -0.091 4.079 4.170 -0.001 0.000 0.247 1085 I C 1.832 177.721 176.117 -0.379 0.000 1.099 1085 I CA 0.715 61.828 61.300 -0.311 0.000 1.422 1085 I CB -0.701 37.139 38.000 -0.267 0.000 1.112 1085 I HN -0.058 nan 8.210 nan 0.000 0.430 1086 Y N 2.432 122.683 120.300 -0.082 0.000 2.293 1086 Y HA 0.047 4.597 4.550 -0.001 0.000 0.291 1086 Y C 2.838 178.638 175.900 -0.166 0.000 1.137 1086 Y CA 1.090 59.120 58.100 -0.116 0.000 1.202 1086 Y CB -0.760 37.593 38.460 -0.178 0.000 0.990 1086 Y HN 0.231 nan 8.280 nan 0.000 0.537 1087 G N -0.309 108.446 108.800 -0.074 0.000 2.440 1087 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.218 1087 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.218 1087 G C 1.494 176.314 174.900 -0.132 0.000 1.154 1087 G CA 1.136 46.178 45.100 -0.097 0.000 0.767 1087 G HN 0.291 nan 8.290 nan 0.000 0.552 1088 Q N 0.395 120.023 119.800 -0.287 0.000 2.079 1088 Q HA 0.178 4.518 4.340 -0.001 0.000 0.200 1088 Q C 2.784 178.746 176.000 -0.063 0.000 0.974 1088 Q CA 1.737 57.338 55.803 -0.337 0.000 0.840 1088 Q CB -0.558 27.619 28.738 -0.934 0.000 0.898 1088 Q HN 0.374 nan 8.270 nan 0.000 0.430 1089 A N -0.602 122.201 122.820 -0.028 0.000 1.883 1089 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 1089 A C 2.267 179.915 177.584 0.108 0.000 1.186 1089 A CA 1.812 53.901 52.037 0.087 0.000 0.624 1089 A CB -1.005 18.067 19.000 0.120 0.000 0.822 1089 A HN 0.276 nan 8.150 nan 0.000 0.444 1090 V N -1.478 118.490 119.914 0.089 0.000 2.343 1090 V HA -0.286 3.834 4.120 -0.001 0.000 0.247 1090 V C 2.347 178.493 176.094 0.087 0.000 1.051 1090 V CA 2.142 64.490 62.300 0.081 0.000 1.036 1090 V CB -1.018 30.837 31.823 0.053 0.000 0.654 1090 V HN 0.720 nan 8.190 nan 0.000 0.451 1091 Y N 1.189 121.474 120.300 -0.025 0.000 2.128 1091 Y HA -0.240 4.309 4.550 -0.000 0.000 0.284 1091 Y C 2.637 178.539 175.900 0.003 0.000 1.154 1091 Y CA 2.064 60.148 58.100 -0.028 0.000 1.149 1091 Y CB -0.064 38.324 38.460 -0.121 0.000 0.976 1091 Y HN 0.237 nan 8.280 nan 0.000 0.505 1092 E N 0.342 120.614 120.200 0.120 0.000 2.077 1092 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 1092 E C 2.428 179.031 176.600 0.004 0.000 0.989 1092 E CA 1.150 57.591 56.400 0.068 0.000 0.800 1092 E CB -0.793 28.999 29.700 0.153 0.000 0.746 1092 E HN 0.588 nan 8.360 nan 0.000 0.452 1093 A N 0.734 123.573 122.820 0.032 0.000 1.933 1093 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 1093 A C 2.627 180.209 177.584 -0.004 0.000 1.175 1093 A CA 1.421 53.475 52.037 0.028 0.000 0.628 1093 A CB -0.892 18.135 19.000 0.045 0.000 0.814 1093 A HN 0.338 nan 8.150 nan 0.000 0.444 1094 C N -0.922 118.348 119.300 -0.049 0.000 2.429 1094 C HA -0.093 4.366 4.460 -0.001 0.000 0.277 1094 C C 2.893 177.826 174.990 -0.095 0.000 1.262 1094 C CA 1.125 60.107 59.018 -0.060 0.000 1.733 1094 C CB -1.003 26.678 27.740 -0.099 0.000 2.010 1094 C HN 0.600 nan 8.230 nan 0.000 0.483 1095 Q N 0.396 120.067 119.800 -0.215 0.000 2.084 1095 Q HA -0.135 4.205 4.340 -0.001 0.000 0.202 1095 Q C 2.227 178.196 176.000 -0.052 0.000 0.978 1095 Q CA 1.940 57.637 55.803 -0.176 0.000 0.844 1095 Q CB -1.192 27.405 28.738 -0.235 0.000 0.898 1095 Q HN 0.650 nan 8.270 nan 0.000 0.426 1096 T N 1.732 116.272 114.554 -0.024 0.000 2.684 1096 T HA -0.113 4.236 4.350 -0.001 0.000 0.267 1096 T C 2.076 176.796 174.700 0.032 0.000 1.036 1096 T CA 1.196 63.304 62.100 0.014 0.000 1.148 1096 T CB -0.307 68.577 68.868 0.026 0.000 0.863 1096 T HN 0.183 nan 8.240 nan 0.000 0.436 1097 I N 0.786 121.384 120.570 0.047 0.000 2.118 1097 I HA -0.190 3.979 4.170 -0.001 0.000 0.241 1097 I C 2.344 178.519 176.117 0.097 0.000 1.070 1097 I CA 1.332 62.682 61.300 0.084 0.000 1.327 1097 I CB -0.469 37.610 38.000 0.133 0.000 1.034 1097 I HN 0.194 nan 8.210 nan 0.000 0.405 1098 L N 0.311 121.590 121.223 0.094 0.000 2.042 1098 L HA -0.250 4.090 4.340 -0.001 0.000 0.210 1098 L C 2.673 179.570 176.870 0.045 0.000 1.076 1098 L CA 1.421 56.317 54.840 0.092 0.000 0.749 1098 L CB -0.685 41.410 42.059 0.060 0.000 0.893 1098 L HN 0.239 nan 8.230 nan 0.000 0.432 1099 K N 0.095 120.512 120.400 0.027 0.000 2.057 1099 K HA -0.165 4.155 4.320 -0.001 0.000 0.207 1099 K C 2.174 178.788 176.600 0.024 0.000 1.049 1099 K CA 1.306 57.601 56.287 0.013 0.000 0.931 1099 K CB -0.243 32.263 32.500 0.010 0.000 0.714 1099 K HN 0.384 nan 8.250 nan 0.000 0.440 1100 R N 0.609 121.141 120.500 0.052 0.000 2.115 1100 R HA 0.034 4.374 4.340 -0.001 0.000 0.226 1100 R C 2.342 178.742 176.300 0.167 0.000 1.100 1100 R CA 0.701 56.856 56.100 0.091 0.000 0.980 1100 R CB -0.167 30.183 30.300 0.082 0.000 0.875 1100 R HN 0.140 nan 8.270 nan 0.000 0.445 1101 L N 0.190 121.487 121.223 0.124 0.000 2.341 1101 L HA -0.035 4.305 4.340 -0.001 0.000 0.214 1101 L C 2.236 179.151 176.870 0.074 0.000 1.115 1101 L CA 0.395 55.335 54.840 0.167 0.000 0.820 1101 L CB -0.179 41.911 42.059 0.052 0.000 0.944 1101 L HN 0.079 nan 8.230 nan 0.000 0.452 1102 E N 1.312 121.492 120.200 -0.033 0.000 2.086 1102 E HA -0.206 4.144 4.350 -0.001 0.000 0.200 1102 E C -0.649 175.811 176.600 -0.234 0.000 1.012 1102 E CA 1.857 58.170 56.400 -0.144 0.000 0.812 1102 E CB -1.038 28.600 29.700 -0.103 0.000 0.743 1102 E HN 0.255 nan 8.360 nan 0.000 0.453 1103 P HA -0.095 nan 4.420 nan 0.000 0.220 1103 P C 0.791 177.735 177.300 -0.593 0.000 1.148 1103 P CA 1.201 63.999 63.100 -0.503 0.000 0.803 1103 P CB -0.129 31.135 31.700 -0.726 0.000 0.782 1104 F N -0.190 119.662 119.950 -0.162 0.000 2.335 1104 F HA 0.068 4.595 4.527 -0.001 0.000 0.296 1104 F C 2.407 178.016 175.800 -0.319 0.000 1.091 1104 F CA 0.809 58.726 58.000 -0.138 0.000 1.399 1104 F CB -0.657 38.314 39.000 -0.048 0.000 1.067 1104 F HN -0.203 nan 8.300 nan 0.000 0.520 1105 K N 1.167 121.239 120.400 -0.546 0.000 2.063 1105 K HA -0.203 4.117 4.320 -0.001 0.000 0.208 1105 K C 1.907 178.261 176.600 -0.410 0.000 1.048 1105 K CA 1.563 57.230 56.287 -1.033 0.000 0.928 1105 K CB -0.065 31.807 32.500 -1.046 0.000 0.713 1105 K HN 0.145 nan 8.250 nan 0.000 0.442 1106 K N 0.210 120.443 120.400 -0.278 0.000 2.148 1106 K HA -0.101 4.219 4.320 -0.001 0.000 0.204 1106 K C 1.904 178.453 176.600 -0.085 0.000 1.050 1106 K CA 1.247 57.439 56.287 -0.157 0.000 0.942 1106 K CB 0.104 32.509 32.500 -0.158 0.000 0.724 1106 K HN 0.114 nan 8.250 nan 0.000 0.446 1107 K N 0.139 120.495 120.400 -0.075 0.000 2.296 1107 K HA -0.043 4.277 4.320 -0.001 0.000 0.200 1107 K C 0.628 177.274 176.600 0.076 0.000 1.048 1107 K CA 0.613 56.899 56.287 -0.001 0.000 0.966 1107 K CB 0.137 32.644 32.500 0.012 0.000 0.754 1107 K HN -0.049 nan 8.250 nan 0.000 0.466 1108 N N 0.014 118.794 118.700 0.134 0.000 2.703 1108 N HA 0.115 4.855 4.740 -0.001 0.000 0.283 1108 N C -2.382 173.350 175.510 0.370 0.000 1.851 1108 N CA -1.794 51.411 53.050 0.259 0.000 0.826 1108 N CB 0.973 39.682 38.487 0.369 0.000 1.239 1108 N HN -0.168 nan 8.380 nan 0.000 0.495 1109 P HA 0.029 nan 4.420 nan 0.000 0.223 1109 P C 0.084 177.558 177.300 0.290 0.000 1.151 1109 P CA 0.916 64.146 63.100 0.217 0.000 0.787 1109 P CB 0.571 32.331 31.700 0.099 0.000 0.788 1110 D N -0.260 120.274 120.400 0.223 0.000 2.349 1110 D HA 0.075 4.714 4.640 -0.001 0.000 0.215 1110 D C 1.483 177.871 176.300 0.147 0.000 1.016 1110 D CA 0.373 54.471 54.000 0.165 0.000 0.870 1110 D CB -0.186 40.674 40.800 0.101 0.000 0.917 1110 D HN 0.137 nan 8.370 nan 0.000 0.524 1111 G N 0.412 109.344 108.800 0.219 0.000 2.588 1111 G HA2 0.332 4.292 3.960 -0.001 0.000 0.278 1111 G HA3 0.332 4.292 3.960 -0.001 0.000 0.278 1111 G C 0.165 174.817 174.900 -0.414 0.000 1.307 1111 G CA -0.283 44.809 45.100 -0.013 0.000 1.016 1111 G HN 0.187 nan 8.290 nan 0.000 0.503 1112 S N -1.387 113.903 115.700 -0.683 0.000 2.638 1112 S HA 0.222 4.692 4.470 -0.001 0.000 0.298 1112 S C 0.964 174.845 174.600 -1.199 0.000 1.111 1112 S CA -0.641 57.113 58.200 -0.744 0.000 1.027 1112 S CB 1.525 64.530 63.200 -0.324 0.000 1.064 1112 S HN 0.794 nan 8.310 nan 0.000 0.525 1113 W N 1.800 122.544 121.300 -0.926 0.000 2.290 1113 W HA -0.294 4.366 4.660 -0.000 0.000 0.323 1113 W C 1.124 177.504 176.519 -0.232 0.000 1.260 1113 W CA 2.607 59.701 57.345 -0.418 0.000 1.266 1113 W CB -0.526 28.859 29.460 -0.126 0.000 1.149 1113 W HN 0.873 nan 8.180 nan 0.000 0.482 1114 E N 0.634 120.745 120.200 -0.149 0.000 2.085 1114 E HA -0.223 4.127 4.350 -0.001 0.000 0.194 1114 E C 1.616 178.083 176.600 -0.223 0.000 0.994 1114 E CA 2.088 58.388 56.400 -0.166 0.000 0.801 1114 E CB -0.764 28.911 29.700 -0.043 0.000 0.743 1114 E HN 0.210 nan 8.360 nan 0.000 0.453 1115 D N -0.607 119.632 120.400 -0.269 0.000 2.117 1115 D HA -0.157 4.483 4.640 -0.001 0.000 0.197 1115 D C 1.619 177.881 176.300 -0.064 0.000 0.987 1115 D CA 0.812 54.704 54.000 -0.179 0.000 0.829 1115 D CB -0.277 40.398 40.800 -0.210 0.000 0.961 1115 D HN 0.280 nan 8.370 nan 0.000 0.460 1116 W N 1.049 122.273 121.300 -0.125 0.000 2.355 1116 W HA -0.058 4.602 4.660 -0.001 0.000 0.309 1116 W C 2.371 178.695 176.519 -0.324 0.000 1.206 1116 W CA 0.118 57.373 57.345 -0.149 0.000 1.284 1116 W CB -1.353 28.036 29.460 -0.117 0.000 1.145 1116 W HN -0.127 nan 8.180 nan 0.000 0.502 1117 V N 0.764 120.524 119.914 -0.256 0.000 2.287 1117 V HA -0.347 3.773 4.120 -0.001 0.000 0.248 1117 V C 2.300 178.267 176.094 -0.212 0.000 1.053 1117 V CA 2.358 64.449 62.300 -0.348 0.000 1.027 1117 V CB -1.010 30.523 31.823 -0.482 0.000 0.646 1117 V HN 0.055 nan 8.190 nan 0.000 0.447 1118 M N 0.725 120.235 119.600 -0.150 0.000 2.117 1118 M HA -0.097 4.383 4.480 -0.001 0.000 0.262 1118 M C 2.058 178.314 176.300 -0.073 0.000 1.065 1118 M CA 2.164 57.426 55.300 -0.062 0.000 1.114 1118 M CB -0.793 31.780 32.600 -0.046 0.000 1.361 1118 M HN 0.270 nan 8.290 nan 0.000 0.408 1119 A N -0.246 122.493 122.820 -0.136 0.000 1.883 1119 A HA -0.033 4.286 4.320 -0.001 0.000 0.217 1119 A C 2.389 179.581 177.584 -0.654 0.000 1.186 1119 A CA 2.323 54.232 52.037 -0.212 0.000 0.624 1119 A CB -1.521 17.473 19.000 -0.010 0.000 0.822 1119 A HN 0.651 nan 8.150 nan 0.000 0.444 1120 A N -1.372 120.842 122.820 -1.012 0.000 1.877 1120 A HA -0.136 4.184 4.320 -0.001 0.000 0.216 1120 A C 2.160 179.465 177.584 -0.466 0.000 1.186 1120 A CA 1.785 53.097 52.037 -1.208 0.000 0.620 1120 A CB -0.969 17.564 19.000 -0.778 0.000 0.822 1120 A HN 0.809 nan 8.150 nan 0.000 0.443 1121 Y N 0.685 120.781 120.300 -0.340 0.000 2.114 1121 Y HA -0.279 4.270 4.550 -0.001 0.000 0.282 1121 Y C 2.412 178.226 175.900 -0.144 0.000 1.165 1121 Y CA 2.460 60.447 58.100 -0.189 0.000 1.148 1121 Y CB -0.450 37.926 38.460 -0.139 0.000 0.972 1121 Y HN 0.444 nan 8.280 nan 0.000 0.504 1122 Q N -0.984 118.660 119.800 -0.260 0.000 2.369 1122 Q HA -0.147 4.193 4.340 -0.001 0.000 0.206 1122 Q C 0.911 176.779 176.000 -0.220 0.000 0.963 1122 Q CA 1.244 56.888 55.803 -0.264 0.000 0.894 1122 Q CB -0.038 28.666 28.738 -0.057 0.000 0.965 1122 Q HN 0.460 nan 8.270 nan 0.000 0.475 1123 D N -0.044 120.241 120.400 -0.192 0.000 2.340 1123 D HA 0.055 4.695 4.640 -0.001 0.000 0.217 1123 D C -0.540 175.710 176.300 -0.084 0.000 1.081 1123 D CA -0.076 53.889 54.000 -0.059 0.000 0.842 1123 D CB 0.174 41.062 40.800 0.146 0.000 0.934 1123 D HN 0.013 nan 8.370 nan 0.000 0.511 1124 R N -0.725 119.650 120.500 -0.210 0.000 3.336 1124 R HA -0.126 4.214 4.340 -0.001 0.000 0.260 1124 R C -0.896 175.357 176.300 -0.080 0.000 1.032 1124 R CA 0.074 56.066 56.100 -0.181 0.000 0.693 1124 R CB -2.267 27.950 30.300 -0.138 0.000 1.134 1124 R HN 0.032 nan 8.270 nan 0.000 0.433 1125 V N 0.812 120.683 119.914 -0.072 0.000 2.427 1125 V HA 0.205 4.325 4.120 -0.001 0.000 0.286 1125 V C 0.905 176.991 176.094 -0.014 0.000 1.034 1125 V CA -0.345 61.952 62.300 -0.006 0.000 0.893 1125 V CB 1.847 33.704 31.823 0.056 0.000 0.982 1125 V HN 0.358 nan 8.190 nan 0.000 0.452 1126 S N 4.561 120.266 115.700 0.009 0.000 2.533 1126 S HA 0.290 4.760 4.470 -0.001 0.000 0.282 1126 S C 0.403 175.015 174.600 0.021 0.000 1.304 1126 S CA -0.312 57.899 58.200 0.018 0.000 1.063 1126 S CB 0.084 63.298 63.200 0.023 0.000 0.881 1126 S HN 0.592 nan 8.310 nan 0.000 0.493 1127 L N 4.206 125.440 121.223 0.019 0.000 2.928 1127 L HA 0.335 4.674 4.340 -0.001 0.000 0.246 1127 L C 0.514 177.403 176.870 0.031 0.000 1.239 1127 L CA -0.199 54.647 54.840 0.010 0.000 1.035 1127 L CB 0.407 42.454 42.059 -0.020 0.000 1.360 1127 L HN 0.526 nan 8.230 nan 0.000 0.529 1128 S N -0.523 115.213 115.700 0.061 0.000 2.521 1128 S HA 0.703 5.172 4.470 -0.001 0.000 0.295 1128 S C -0.589 174.069 174.600 0.097 0.000 1.098 1128 S CA -0.286 57.998 58.200 0.141 0.000 0.999 1128 S CB 1.935 65.247 63.200 0.186 0.000 1.034 1128 S HN 0.094 nan 8.310 nan 0.000 0.483 1129 T N 2.019 116.620 114.554 0.079 0.000 2.889 1129 T HA 0.639 4.989 4.350 -0.001 0.000 0.315 1129 T C -0.533 174.193 174.700 0.044 0.000 1.291 1129 T CA -0.382 61.752 62.100 0.057 0.000 1.028 1129 T CB 1.461 70.359 68.868 0.049 0.000 1.235 1129 T HN 0.845 nan 8.240 nan 0.000 0.491 1130 T N 0.578 115.167 114.554 0.058 0.000 2.902 1130 T HA 0.797 5.147 4.350 -0.001 0.000 0.280 1130 T C 0.421 175.183 174.700 0.102 0.000 0.992 1130 T CA -0.464 61.682 62.100 0.077 0.000 1.015 1130 T CB 1.330 70.247 68.868 0.081 0.000 1.044 1130 T HN 0.912 nan 8.240 nan 0.000 0.520 1131 G N 0.003 108.891 108.800 0.147 0.000 2.612 1131 G HA2 0.657 4.616 3.960 -0.001 0.000 0.298 1131 G HA3 0.657 4.616 3.960 -0.001 0.000 0.298 1131 G C -2.127 172.952 174.900 0.298 0.000 1.336 1131 G CA -0.832 44.377 45.100 0.182 0.000 0.953 1131 G HN 0.718 nan 8.290 nan 0.000 0.482 1132 F N 0.694 120.710 119.950 0.109 0.000 2.628 1132 F HA 0.694 5.221 4.527 -0.000 0.000 0.309 1132 F C -1.969 173.931 175.800 0.168 0.000 1.108 1132 F CA -1.115 56.955 58.000 0.117 0.000 0.971 1132 F CB 2.338 41.381 39.000 0.072 0.000 1.279 1132 F HN 0.573 nan 8.300 nan 0.000 0.441 1133 Y N 5.248 125.180 120.300 -0.613 0.000 2.470 1133 Y HA 0.611 5.161 4.550 -0.001 0.000 0.341 1133 Y C -1.512 174.056 175.900 -0.555 0.000 1.021 1133 Y CA -0.988 56.877 58.100 -0.392 0.000 1.025 1133 Y CB 1.425 39.719 38.460 -0.276 0.000 1.266 1133 Y HN 0.717 nan 8.280 nan 0.000 0.448 1134 R N 4.255 124.195 120.500 -0.933 0.000 2.451 1134 R HA 0.435 4.775 4.340 -0.001 0.000 0.307 1134 R C -1.278 174.432 176.300 -0.983 0.000 0.965 1134 R CA -0.492 55.188 56.100 -0.699 0.000 0.865 1134 R CB 1.268 31.432 30.300 -0.227 0.000 1.174 1134 R HN 0.808 nan 8.270 nan 0.000 0.455 1135 T N 7.109 121.183 114.554 -0.800 0.000 2.867 1135 T HA 0.134 4.483 4.350 -0.001 0.000 0.297 1135 T C -2.063 172.416 174.700 -0.368 0.000 0.989 1135 T CA -0.562 61.169 62.100 -0.615 0.000 1.159 1135 T CB 0.656 69.295 68.868 -0.382 0.000 0.928 1135 T HN 0.484 nan 8.240 nan 0.000 0.538 1136 P HA 0.256 nan 4.420 nan 0.000 0.279 1136 P C -0.161 177.130 177.300 -0.014 0.000 1.252 1136 P CA -0.569 62.472 63.100 -0.099 0.000 0.811 1136 P CB 0.478 32.165 31.700 -0.021 0.000 1.035 1137 N N -0.608 118.091 118.700 -0.002 0.000 2.740 1137 N HA -0.143 4.596 4.740 -0.001 0.000 0.248 1137 N C -0.741 174.781 175.510 0.020 0.000 1.062 1137 N CA 0.802 53.866 53.050 0.024 0.000 0.704 1137 N CB -1.885 36.635 38.487 0.054 0.000 0.968 1137 N HN 0.463 nan 8.380 nan 0.000 0.547 1138 L N -0.428 120.788 121.223 -0.011 0.000 2.329 1138 L HA 0.747 5.087 4.340 -0.001 0.000 0.279 1138 L C 0.981 177.837 176.870 -0.024 0.000 1.014 1138 L CA -0.555 54.265 54.840 -0.033 0.000 0.814 1138 L CB 2.020 44.041 42.059 -0.063 0.000 1.257 1138 L HN 0.235 nan 8.230 nan 0.000 0.424 1139 G N 1.812 110.598 108.800 -0.022 0.000 3.250 1139 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.235 1139 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.235 1139 G C -1.416 173.496 174.900 0.020 0.000 3.899 1139 G CA -0.698 44.405 45.100 0.005 0.000 0.435 1139 G HN 0.414 nan 8.290 nan 0.000 0.310 1140 Y N 1.973 122.207 120.300 -0.111 0.000 2.359 1140 Y HA 0.651 5.200 4.550 -0.001 0.000 0.330 1140 Y C 0.421 176.298 175.900 -0.037 0.000 1.143 1140 Y CA 0.113 58.142 58.100 -0.117 0.000 1.318 1140 Y CB 1.650 39.963 38.460 -0.245 0.000 1.234 1140 Y HN 0.392 nan 8.280 nan 0.000 0.522 1141 S N 5.700 120.909 115.700 -0.818 0.000 2.449 1141 S HA 0.315 4.785 4.470 -0.001 0.000 0.310 1141 S C 0.247 174.327 174.600 -0.866 0.000 1.096 1141 S CA -0.682 57.178 58.200 -0.567 0.000 1.095 1141 S CB 0.115 63.154 63.200 -0.269 0.000 1.007 1141 S HN 0.745 nan 8.310 nan 0.000 0.474 1142 F N 2.635 122.378 119.950 -0.344 0.000 2.502 1142 F HA 0.041 4.568 4.527 -0.001 0.000 0.298 1142 F C 2.237 177.990 175.800 -0.079 0.000 1.111 1142 F CA 1.131 59.074 58.000 -0.095 0.000 1.445 1142 F CB 0.190 39.234 39.000 0.073 0.000 1.081 1142 F HN 0.773 nan 8.300 nan 0.000 0.558 1143 E N -1.126 119.103 120.200 0.047 0.000 2.474 1143 E HA -0.032 4.318 4.350 -0.001 0.000 0.194 1143 E C 1.382 177.966 176.600 -0.026 0.000 1.041 1143 E CA 1.199 57.615 56.400 0.027 0.000 0.874 1143 E CB -0.349 29.370 29.700 0.032 0.000 0.914 1143 E HN 0.361 nan 8.360 nan 0.000 0.498 1144 T N -2.310 112.184 114.554 -0.100 0.000 3.043 1144 T HA 0.066 4.416 4.350 -0.001 0.000 0.272 1144 T C 0.596 175.234 174.700 -0.102 0.000 0.990 1144 T CA -0.012 62.035 62.100 -0.089 0.000 0.897 1144 T CB -0.171 68.645 68.868 -0.088 0.000 1.111 1144 T HN 0.081 nan 8.240 nan 0.000 0.529 1145 N N 1.985 120.581 118.700 -0.174 0.000 2.699 1145 N HA -0.187 4.552 4.740 -0.001 0.000 0.256 1145 N C -0.421 175.081 175.510 -0.013 0.000 0.993 1145 N CA 0.940 53.946 53.050 -0.075 0.000 0.759 1145 N CB -1.374 37.168 38.487 0.092 0.000 0.906 1145 N HN 0.996 nan 8.380 nan 0.000 0.541 1146 S N -1.724 113.865 115.700 -0.185 0.000 2.656 1146 S HA 0.872 5.341 4.470 -0.001 0.000 0.273 1146 S C 0.069 174.631 174.600 -0.063 0.000 1.168 1146 S CA -0.052 58.129 58.200 -0.032 0.000 0.817 1146 S CB 1.669 64.846 63.200 -0.037 0.000 1.146 1146 S HN 1.469 nan 8.310 nan 0.000 0.475 1147 G N 1.197 110.019 108.800 0.038 0.000 2.785 1147 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.686 1147 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.686 1147 G C -1.174 173.795 174.900 0.116 0.000 1.155 1147 G CA -1.016 44.109 45.100 0.041 0.000 0.760 1147 G HN 0.879 nan 8.290 nan 0.000 0.624 1148 N N 0.584 119.313 118.700 0.048 0.000 2.440 1148 N HA 0.340 5.080 4.740 -0.001 0.000 0.265 1148 N C 1.372 176.798 175.510 -0.140 0.000 1.239 1148 N CA 0.666 53.719 53.050 0.004 0.000 0.909 1148 N CB 1.479 39.970 38.487 0.006 0.000 1.066 1148 N HN 1.037 nan 8.380 nan 0.000 0.474 1149 A N 3.133 125.717 122.820 -0.394 0.000 1.975 1149 A HA 0.141 4.460 4.320 -0.001 0.000 0.215 1149 A C 0.217 177.058 177.584 -1.239 0.000 1.170 1149 A CA 0.837 52.224 52.037 -1.084 0.000 0.656 1149 A CB 0.091 17.703 19.000 -2.315 0.000 0.821 1149 A HN 0.567 nan 8.150 nan 0.000 0.449 1150 F N -3.844 115.871 119.950 -0.393 0.000 2.611 1150 F HA 0.491 5.018 4.527 -0.001 0.000 0.324 1150 F C 1.072 176.712 175.800 -0.267 0.000 1.061 1150 F CA -0.731 56.994 58.000 -0.458 0.000 0.954 1150 F CB 1.124 39.620 39.000 -0.840 0.000 1.301 1150 F HN 0.098 nan 8.300 nan 0.000 0.482 1151 H N 0.240 119.215 119.070 -0.159 0.000 2.384 1151 H HA 0.102 4.658 4.556 -0.000 0.000 0.300 1151 H C -0.813 174.561 175.328 0.077 0.000 1.057 1151 H CA 1.663 57.690 56.048 -0.034 0.000 1.370 1151 H CB 0.242 30.025 29.762 0.035 0.000 1.417 1151 H HN 0.525 nan 8.280 nan 0.000 0.527 1152 Y N -4.165 116.020 120.300 -0.192 0.000 2.905 1152 Y HA 0.460 5.010 4.550 -0.001 0.000 0.322 1152 Y C -1.748 173.880 175.900 -0.453 0.000 1.455 1152 Y CA -1.964 56.013 58.100 -0.206 0.000 1.083 1152 Y CB 0.681 39.075 38.460 -0.110 0.000 1.473 1152 Y HN -0.203 nan 8.280 nan 0.000 0.449 1153 F N 0.210 120.158 119.950 -0.003 0.000 2.551 1153 F HA 0.687 5.213 4.527 -0.000 0.000 0.316 1153 F C -0.164 175.376 175.800 -0.432 0.000 1.089 1153 F CA -0.850 56.942 58.000 -0.347 0.000 0.915 1153 F CB 2.591 41.315 39.000 -0.459 0.000 1.186 1153 F HN 0.466 nan 8.300 nan 0.000 0.456 1154 T N 1.954 116.383 114.554 -0.208 0.000 2.875 1154 T HA 0.551 4.901 4.350 -0.001 0.000 0.284 1154 T C -1.181 173.352 174.700 -0.279 0.000 0.995 1154 T CA -0.413 61.607 62.100 -0.133 0.000 1.060 1154 T CB 0.603 69.505 68.868 0.056 0.000 0.967 1154 T HN 0.327 nan 8.240 nan 0.000 0.476 1155 Y N -0.078 120.325 120.300 0.172 0.000 2.570 1155 Y HA 0.733 5.283 4.550 -0.000 0.000 0.345 1155 Y C 0.638 176.596 175.900 0.097 0.000 1.014 1155 Y CA -0.918 57.252 58.100 0.117 0.000 1.063 1155 Y CB 2.646 41.115 38.460 0.015 0.000 1.272 1155 Y HN 0.931 nan 8.280 nan 0.000 0.477 1156 G N -0.045 108.922 108.800 0.278 0.000 2.523 1156 G HA2 0.576 4.535 3.960 -0.001 0.000 0.291 1156 G HA3 0.576 4.535 3.960 -0.001 0.000 0.291 1156 G C -2.424 172.595 174.900 0.199 0.000 1.450 1156 G CA -0.719 44.499 45.100 0.196 0.000 0.790 1156 G HN 0.486 nan 8.290 nan 0.000 0.496 1157 V N -0.392 119.615 119.914 0.156 0.000 2.888 1157 V HA 0.865 4.985 4.120 -0.001 0.000 0.309 1157 V C -0.071 176.072 176.094 0.082 0.000 1.114 1157 V CA -0.284 62.110 62.300 0.156 0.000 0.940 1157 V CB 1.641 33.562 31.823 0.164 0.000 1.021 1157 V HN 1.732 nan 8.190 nan 0.000 0.426 1158 A N 2.423 125.291 122.820 0.079 0.000 2.414 1158 A HA 0.812 5.132 4.320 -0.001 0.000 0.306 1158 A C -0.918 176.670 177.584 0.007 0.000 1.054 1158 A CA -0.487 51.578 52.037 0.046 0.000 0.724 1158 A CB 1.741 20.825 19.000 0.139 0.000 1.267 1158 A HN 1.164 nan 8.150 nan 0.000 0.418 1159 C N 1.924 121.208 119.300 -0.026 0.000 2.369 1159 C HA 0.855 5.315 4.460 -0.001 0.000 0.322 1159 C C -0.148 174.856 174.990 0.025 0.000 1.258 1159 C CA -0.085 58.921 59.018 -0.019 0.000 1.487 1159 C CB 0.119 27.820 27.740 -0.065 0.000 2.165 1159 C HN 0.846 nan 8.230 nan 0.000 0.483 1160 S N 3.580 119.317 115.700 0.062 0.000 2.542 1160 S HA 0.611 5.081 4.470 -0.001 0.000 0.293 1160 S C -1.283 173.341 174.600 0.039 0.000 1.089 1160 S CA -0.479 57.758 58.200 0.062 0.000 0.961 1160 S CB 1.740 65.015 63.200 0.125 0.000 1.062 1160 S HN 0.885 nan 8.310 nan 0.000 0.483 1161 E N 1.530 121.735 120.200 0.009 0.000 2.222 1161 E HA 0.666 5.016 4.350 -0.001 0.000 0.267 1161 E C -1.255 175.332 176.600 -0.023 0.000 0.884 1161 E CA -0.813 55.573 56.400 -0.023 0.000 0.764 1161 E CB 1.480 31.147 29.700 -0.055 0.000 1.169 1161 E HN 0.505 nan 8.360 nan 0.000 0.413 1162 V N 0.521 120.414 119.914 -0.036 0.000 3.102 1162 V HA 0.660 4.780 4.120 -0.001 0.000 0.312 1162 V C -0.970 175.083 176.094 -0.069 0.000 1.135 1162 V CA -0.838 61.455 62.300 -0.012 0.000 1.022 1162 V CB 1.862 33.700 31.823 0.024 0.000 1.056 1162 V HN 0.824 nan 8.190 nan 0.000 0.436 1163 E N 2.219 122.393 120.200 -0.044 0.000 2.199 1163 E HA 0.635 4.985 4.350 -0.001 0.000 0.265 1163 E C -0.870 175.749 176.600 0.033 0.000 0.882 1163 E CA -0.930 55.420 56.400 -0.084 0.000 0.759 1163 E CB 1.923 31.529 29.700 -0.156 0.000 1.148 1163 E HN 0.939 nan 8.360 nan 0.000 0.412 1164 I N 0.872 121.473 120.570 0.050 0.000 2.498 1164 I HA 0.498 4.668 4.170 -0.001 0.000 0.301 1164 I C -0.379 175.806 176.117 0.114 0.000 0.984 1164 I CA -0.782 60.572 61.300 0.090 0.000 1.204 1164 I CB 1.659 39.691 38.000 0.052 0.000 1.362 1164 I HN 0.373 nan 8.210 nan 0.000 0.471 1165 D N 5.450 125.913 120.400 0.104 0.000 2.411 1165 D HA 0.228 4.868 4.640 -0.001 0.000 0.225 1165 D C 0.696 177.061 176.300 0.107 0.000 1.156 1165 D CA -0.396 53.668 54.000 0.107 0.000 0.874 1165 D CB 1.321 42.160 40.800 0.064 0.000 1.034 1165 D HN 0.766 nan 8.370 nan 0.000 0.502 1166 C N 3.289 122.688 119.300 0.165 0.000 2.419 1166 C HA -0.060 4.400 4.460 -0.001 0.000 0.283 1166 C C 2.557 177.629 174.990 0.137 0.000 1.373 1166 C CA 0.101 59.226 59.018 0.178 0.000 1.781 1166 C CB -0.836 27.069 27.740 0.276 0.000 1.886 1166 C HN 0.663 nan 8.230 nan 0.000 0.520 1167 L N 0.726 121.993 121.223 0.075 0.000 2.446 1167 L HA -0.002 4.338 4.340 -0.001 0.000 0.219 1167 L C 2.530 179.338 176.870 -0.103 0.000 1.116 1167 L CA 1.662 56.445 54.840 -0.095 0.000 0.844 1167 L CB -0.301 41.601 42.059 -0.261 0.000 0.970 1167 L HN 0.552 nan 8.230 nan 0.000 0.457 1168 T N -6.234 108.295 114.554 -0.043 0.000 2.954 1168 T HA 0.266 4.615 4.350 -0.001 0.000 0.252 1168 T C 1.472 176.165 174.700 -0.013 0.000 0.983 1168 T CA 0.563 62.636 62.100 -0.044 0.000 0.941 1168 T CB 1.015 69.856 68.868 -0.043 0.000 1.141 1168 T HN 0.253 nan 8.240 nan 0.000 0.500 1169 G N 1.472 110.280 108.800 0.014 0.000 2.179 1169 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.260 1169 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.260 1169 G C -0.122 174.810 174.900 0.054 0.000 0.977 1169 G CA 0.251 45.368 45.100 0.028 0.000 0.641 1169 G HN 0.733 nan 8.290 nan 0.000 0.533 1170 D N 1.142 121.568 120.400 0.044 0.000 2.361 1170 D HA 0.491 5.131 4.640 -0.001 0.000 0.239 1170 D C 0.699 177.070 176.300 0.118 0.000 1.200 1170 D CA 0.624 54.656 54.000 0.052 0.000 0.915 1170 D CB 0.319 41.116 40.800 -0.005 0.000 1.170 1170 D HN 0.660 nan 8.370 nan 0.000 0.444 1171 H N -1.225 117.828 119.070 -0.029 0.000 3.017 1171 H HA 0.470 5.026 4.556 -0.001 0.000 0.346 1171 H C -1.264 174.041 175.328 -0.038 0.000 1.286 1171 H CA -0.890 55.139 56.048 -0.032 0.000 1.120 1171 H CB 0.775 30.513 29.762 -0.041 0.000 1.860 1171 H HN 0.204 nan 8.280 nan 0.000 0.542 1172 K N 1.637 121.993 120.400 -0.073 0.000 2.292 1172 K HA 0.286 4.605 4.320 -0.001 0.000 0.257 1172 K C -0.745 175.846 176.600 -0.014 0.000 0.940 1172 K CA -1.003 55.208 56.287 -0.127 0.000 0.811 1172 K CB 1.528 33.987 32.500 -0.067 0.000 1.120 1172 K HN 0.434 nan 8.250 nan 0.000 0.428 1173 N N 3.830 122.498 118.700 -0.053 0.000 2.415 1173 N HA 0.116 4.856 4.740 -0.001 0.000 0.246 1173 N C 0.615 176.108 175.510 -0.029 0.000 1.078 1173 N CA 0.043 53.099 53.050 0.010 0.000 0.942 1173 N CB 0.799 39.283 38.487 -0.005 0.000 1.140 1173 N HN 0.474 nan 8.380 nan 0.000 0.501 1174 L N 1.230 122.437 121.223 -0.026 0.000 2.127 1174 L HA 0.153 4.493 4.340 -0.001 0.000 0.203 1174 L C 0.994 177.844 176.870 -0.033 0.000 1.080 1174 L CA 0.729 55.544 54.840 -0.042 0.000 0.768 1174 L CB 0.145 42.164 42.059 -0.067 0.000 0.924 1174 L HN 0.407 nan 8.230 nan 0.000 0.444 1175 R N -1.050 119.432 120.500 -0.031 0.000 2.604 1175 R HA 0.353 4.692 4.340 -0.001 0.000 0.261 1175 R C -1.703 174.582 176.300 -0.026 0.000 1.080 1175 R CA -0.306 55.780 56.100 -0.023 0.000 0.917 1175 R CB 1.976 32.263 30.300 -0.021 0.000 1.252 1175 R HN -0.235 nan 8.270 nan 0.000 0.456 1176 T N 2.615 117.149 114.554 -0.034 0.000 2.921 1176 T HA 0.353 4.703 4.350 -0.001 0.000 0.297 1176 T C -1.708 172.976 174.700 -0.027 0.000 1.013 1176 T CA -0.635 61.426 62.100 -0.065 0.000 0.990 1176 T CB 1.582 70.305 68.868 -0.243 0.000 1.023 1176 T HN 0.523 nan 8.240 nan 0.000 0.447 1177 D N 2.085 122.455 120.400 -0.049 0.000 2.391 1177 D HA 0.615 5.254 4.640 -0.001 0.000 0.245 1177 D C -0.563 175.694 176.300 -0.072 0.000 1.069 1177 D CA -0.314 53.656 54.000 -0.051 0.000 0.831 1177 D CB 1.454 42.224 40.800 -0.050 0.000 1.204 1177 D HN 0.362 nan 8.370 nan 0.000 0.503 1178 I N 1.702 122.226 120.570 -0.075 0.000 2.509 1178 I HA 0.453 4.623 4.170 -0.001 0.000 0.293 1178 I C -0.829 175.266 176.117 -0.036 0.000 1.020 1178 I CA -1.092 60.174 61.300 -0.056 0.000 1.088 1178 I CB 2.080 40.034 38.000 -0.076 0.000 1.267 1178 I HN 0.009 nan 8.210 nan 0.000 0.430 1179 V N 6.430 126.339 119.914 -0.007 0.000 2.407 1179 V HA 0.483 4.603 4.120 -0.001 0.000 0.291 1179 V C -0.433 175.687 176.094 0.043 0.000 1.018 1179 V CA -0.443 61.860 62.300 0.005 0.000 0.842 1179 V CB 1.708 33.530 31.823 -0.002 0.000 0.996 1179 V HN 0.654 nan 8.190 nan 0.000 0.426 1180 M N 4.143 123.769 119.600 0.043 0.000 2.321 1180 M HA 0.511 4.991 4.480 -0.001 0.000 0.315 1180 M C -0.892 175.453 176.300 0.075 0.000 1.052 1180 M CA -0.445 54.899 55.300 0.072 0.000 0.936 1180 M CB 1.735 34.371 32.600 0.061 0.000 1.639 1180 M HN 0.649 nan 8.290 nan 0.000 0.433 1181 D N 3.769 124.237 120.400 0.114 0.000 2.411 1181 D HA 0.275 4.915 4.640 -0.001 0.000 0.225 1181 D C 0.234 176.600 176.300 0.110 0.000 1.156 1181 D CA -0.255 53.817 54.000 0.120 0.000 0.874 1181 D CB 0.665 41.580 40.800 0.191 0.000 1.034 1181 D HN 0.434 nan 8.370 nan 0.000 0.502 1182 V N 2.027 121.985 119.914 0.072 0.000 3.177 1182 V HA 0.572 4.691 4.120 -0.001 0.000 0.342 1182 V C 1.215 177.332 176.094 0.038 0.000 1.379 1182 V CA 0.252 62.588 62.300 0.061 0.000 1.191 1182 V CB -0.484 31.366 31.823 0.045 0.000 1.167 1182 V HN 0.665 nan 8.190 nan 0.000 0.471 1183 G N 1.450 110.270 108.800 0.034 0.000 2.566 1183 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.280 1183 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.280 1183 G C 0.052 174.953 174.900 0.001 0.000 1.225 1183 G CA 0.076 45.177 45.100 0.001 0.000 0.966 1183 G HN 0.983 nan 8.290 nan 0.000 0.560 1184 S N 0.458 116.153 115.700 -0.009 0.000 2.409 1184 S HA 0.536 5.005 4.470 -0.001 0.000 0.308 1184 S C 0.502 175.104 174.600 0.003 0.000 1.080 1184 S CA 0.615 58.814 58.200 -0.002 0.000 1.081 1184 S CB 1.182 64.381 63.200 -0.001 0.000 1.009 1184 S HN 1.190 nan 8.310 nan 0.000 0.502 1185 S N 3.202 118.904 115.700 0.003 0.000 2.546 1185 S HA 0.118 4.588 4.470 -0.001 0.000 0.290 1185 S C 1.322 175.924 174.600 0.003 0.000 1.290 1185 S CA -0.507 57.697 58.200 0.006 0.000 1.069 1185 S CB 0.045 63.247 63.200 0.003 0.000 0.846 1185 S HN 0.657 nan 8.310 nan 0.000 0.495 1186 L N 3.474 124.704 121.223 0.011 0.000 2.217 1186 L HA 0.116 4.455 4.340 -0.001 0.000 0.211 1186 L C 1.125 177.990 176.870 -0.009 0.000 1.107 1186 L CA 0.524 55.367 54.840 0.006 0.000 0.783 1186 L CB -0.220 41.855 42.059 0.027 0.000 0.919 1186 L HN 0.613 nan 8.230 nan 0.000 0.442 1187 N N -1.043 117.654 118.700 -0.004 0.000 2.747 1187 N HA 0.145 4.884 4.740 -0.001 0.000 0.262 1187 N C -2.355 173.153 175.510 -0.002 0.000 1.261 1187 N CA -1.109 51.938 53.050 -0.006 0.000 0.809 1187 N CB 1.645 40.128 38.487 -0.005 0.000 1.450 1187 N HN -0.283 nan 8.380 nan 0.000 0.560 1188 P HA -0.018 nan 4.420 nan 0.000 0.220 1188 P C 1.038 178.333 177.300 -0.008 0.000 1.148 1188 P CA 0.970 64.066 63.100 -0.008 0.000 0.803 1188 P CB 0.411 32.103 31.700 -0.013 0.000 0.782 1189 A N -0.391 122.427 122.820 -0.004 0.000 1.873 1189 A HA -0.147 4.173 4.320 -0.001 0.000 0.215 1189 A C 2.217 179.808 177.584 0.012 0.000 1.186 1189 A CA 1.345 53.382 52.037 0.001 0.000 0.616 1189 A CB -1.540 17.466 19.000 0.009 0.000 0.823 1189 A HN 0.097 nan 8.150 nan 0.000 0.442 1190 I N -0.117 120.465 120.570 0.020 0.000 2.226 1190 I HA -0.226 3.944 4.170 -0.001 0.000 0.245 1190 I C 1.803 177.937 176.117 0.028 0.000 1.100 1190 I CA 1.442 62.763 61.300 0.034 0.000 1.374 1190 I CB -0.405 37.612 38.000 0.029 0.000 1.057 1190 I HN 0.252 nan 8.210 nan 0.000 0.413 1191 D N 0.919 121.329 120.400 0.016 0.000 2.117 1191 D HA -0.103 4.536 4.640 -0.001 0.000 0.198 1191 D C 2.247 178.552 176.300 0.008 0.000 0.982 1191 D CA 1.274 55.284 54.000 0.016 0.000 0.828 1191 D CB -0.183 40.626 40.800 0.013 0.000 0.967 1191 D HN 0.297 nan 8.370 nan 0.000 0.464 1192 I N 0.945 121.509 120.570 -0.010 0.000 2.286 1192 I HA -0.174 3.995 4.170 -0.001 0.000 0.248 1192 I C 2.459 178.554 176.117 -0.036 0.000 1.115 1192 I CA 1.278 62.555 61.300 -0.039 0.000 1.392 1192 I CB -0.344 37.618 38.000 -0.064 0.000 1.065 1192 I HN 0.024 nan 8.210 nan 0.000 0.418 1193 G N -0.178 108.618 108.800 -0.008 0.000 2.422 1193 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.218 1193 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.218 1193 G C 1.594 176.524 174.900 0.050 0.000 1.146 1193 G CA 0.334 45.444 45.100 0.016 0.000 0.769 1193 G HN 0.278 nan 8.290 nan 0.000 0.547 1194 Q N 0.158 119.991 119.800 0.055 0.000 2.079 1194 Q HA -0.023 4.317 4.340 -0.001 0.000 0.200 1194 Q C 3.006 179.059 176.000 0.088 0.000 0.974 1194 Q CA 0.895 56.745 55.803 0.078 0.000 0.840 1194 Q CB -0.652 28.122 28.738 0.061 0.000 0.898 1194 Q HN 0.407 nan 8.270 nan 0.000 0.430 1195 V N 1.591 121.543 119.914 0.063 0.000 2.255 1195 V HA -0.272 3.847 4.120 -0.001 0.000 0.247 1195 V C 2.171 178.353 176.094 0.146 0.000 1.051 1195 V CA 2.054 64.404 62.300 0.083 0.000 1.018 1195 V CB -0.574 31.268 31.823 0.031 0.000 0.641 1195 V HN 0.392 nan 8.190 nan 0.000 0.445 1196 E N 0.288 120.533 120.200 0.075 0.000 2.058 1196 E HA -0.171 4.179 4.350 -0.001 0.000 0.194 1196 E C 2.333 179.105 176.600 0.287 0.000 0.997 1196 E CA 1.352 57.844 56.400 0.154 0.000 0.801 1196 E CB -0.553 29.098 29.700 -0.082 0.000 0.746 1196 E HN 0.649 nan 8.360 nan 0.000 0.450 1197 G N 1.110 110.020 108.800 0.183 0.000 2.402 1197 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.216 1197 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.216 1197 G C 1.698 176.700 174.900 0.171 0.000 1.162 1197 G CA 0.884 46.087 45.100 0.172 0.000 0.777 1197 G HN 0.345 nan 8.290 nan 0.000 0.539 1198 A N 0.609 123.538 122.820 0.182 0.000 1.858 1198 A HA 0.028 4.348 4.320 -0.001 0.000 0.216 1198 A C 2.190 179.866 177.584 0.153 0.000 1.190 1198 A CA 1.658 53.786 52.037 0.151 0.000 0.617 1198 A CB -0.709 18.368 19.000 0.128 0.000 0.827 1198 A HN 0.426 nan 8.150 nan 0.000 0.443 1199 F N 0.922 120.933 119.950 0.101 0.000 2.091 1199 F HA -0.221 4.306 4.527 -0.001 0.000 0.299 1199 F C 2.191 178.024 175.800 0.055 0.000 1.103 1199 F CA 2.258 60.321 58.000 0.105 0.000 1.228 1199 F CB -0.283 38.832 39.000 0.192 0.000 0.984 1199 F HN 0.037 nan 8.300 nan 0.000 0.477 1200 V N 0.306 120.326 119.914 0.178 0.000 2.358 1200 V HA -0.306 3.814 4.120 -0.001 0.000 0.246 1200 V C 2.317 178.331 176.094 -0.134 0.000 1.047 1200 V CA 2.149 64.444 62.300 -0.008 0.000 1.035 1200 V CB -0.873 31.009 31.823 0.099 0.000 0.658 1200 V HN 0.409 nan 8.190 nan 0.000 0.452 1201 Q N 0.054 119.799 119.800 -0.092 0.000 2.135 1201 Q HA -0.166 4.174 4.340 -0.001 0.000 0.204 1201 Q C 2.371 178.226 176.000 -0.242 0.000 0.981 1201 Q CA 1.708 57.425 55.803 -0.144 0.000 0.856 1201 Q CB -0.484 28.206 28.738 -0.080 0.000 0.902 1201 Q HN 0.744 nan 8.270 nan 0.000 0.425 1202 G N 1.230 109.883 108.800 -0.245 0.000 2.404 1202 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.215 1202 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.215 1202 G C 1.384 176.106 174.900 -0.297 0.000 1.174 1202 G CA 0.798 45.720 45.100 -0.298 0.000 0.780 1202 G HN 0.341 nan 8.290 nan 0.000 0.537 1203 L N 2.032 123.020 121.223 -0.391 0.000 2.079 1203 L HA 0.096 4.435 4.340 -0.001 0.000 0.210 1203 L C 2.452 179.198 176.870 -0.208 0.000 1.081 1203 L CA 2.521 57.175 54.840 -0.310 0.000 0.752 1203 L CB -1.406 40.386 42.059 -0.444 0.000 0.896 1203 L HN 0.141 nan 8.230 nan 0.000 0.433 1204 G N 0.137 108.788 108.800 -0.249 0.000 2.433 1204 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.216 1204 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.216 1204 G C 1.615 176.333 174.900 -0.303 0.000 1.186 1204 G CA 1.031 45.980 45.100 -0.250 0.000 0.779 1204 G HN 0.500 nan 8.290 nan 0.000 0.543 1205 L N -0.356 120.601 121.223 -0.443 0.000 2.042 1205 L HA 0.073 4.413 4.340 -0.001 0.000 0.210 1205 L C 2.395 178.901 176.870 -0.607 0.000 1.076 1205 L CA 1.777 56.237 54.840 -0.632 0.000 0.749 1205 L CB -0.537 40.920 42.059 -1.002 0.000 0.893 1205 L HN 0.259 nan 8.230 nan 0.000 0.432 1206 F N -1.411 118.370 119.950 -0.282 0.000 2.664 1206 F HA 0.046 4.573 4.527 -0.000 0.000 0.296 1206 F C 1.938 177.695 175.800 -0.071 0.000 1.125 1206 F CA 0.723 58.559 58.000 -0.274 0.000 1.444 1206 F CB -0.149 38.668 39.000 -0.305 0.000 1.114 1206 F HN 0.306 nan 8.300 nan 0.000 0.576 1207 T N -4.778 109.801 114.554 0.043 0.000 2.993 1207 T HA 0.199 4.549 4.350 -0.001 0.000 0.260 1207 T C 1.014 175.713 174.700 -0.003 0.000 0.939 1207 T CA 0.137 62.264 62.100 0.045 0.000 0.886 1207 T CB 0.086 68.988 68.868 0.056 0.000 1.209 1207 T HN 0.030 nan 8.240 nan 0.000 0.518 1208 L N 0.576 121.746 121.223 -0.088 0.000 2.713 1208 L HA 0.557 4.896 4.340 -0.001 0.000 0.223 1208 L C 0.231 176.964 176.870 -0.229 0.000 1.040 1208 L CA 0.516 55.272 54.840 -0.140 0.000 0.894 1208 L CB 0.252 42.204 42.059 -0.178 0.000 1.361 1208 L HN 0.243 nan 8.230 nan 0.000 0.490 1209 E N 1.294 121.320 120.200 -0.290 0.000 2.194 1209 E HA 0.272 4.621 4.350 -0.001 0.000 0.284 1209 E C -0.336 176.160 176.600 -0.173 0.000 1.035 1209 E CA 0.006 56.135 56.400 -0.451 0.000 0.836 1209 E CB 0.940 30.373 29.700 -0.445 0.000 1.070 1209 E HN 0.060 nan 8.360 nan 0.000 0.401 1210 E N 4.616 124.765 120.200 -0.086 0.000 2.265 1210 E HA 0.224 4.574 4.350 -0.001 0.000 0.262 1210 E C -1.258 175.515 176.600 0.288 0.000 0.889 1210 E CA -0.531 55.942 56.400 0.122 0.000 0.789 1210 E CB 0.966 30.713 29.700 0.079 0.000 1.221 1210 E HN 0.423 nan 8.360 nan 0.000 0.414 1211 L N 3.801 125.211 121.223 0.312 0.000 2.312 1211 L HA 0.409 4.749 4.340 -0.001 0.000 0.281 1211 L C -0.231 176.750 176.870 0.185 0.000 1.070 1211 L CA -0.574 54.388 54.840 0.203 0.000 0.805 1211 L CB 0.895 43.035 42.059 0.136 0.000 1.174 1211 L HN 0.545 nan 8.230 nan 0.000 0.434 1212 H N 1.929 120.946 119.070 -0.089 0.000 2.600 1212 H HA 0.523 5.079 4.556 -0.001 0.000 0.357 1212 H C -1.559 173.673 175.328 -0.161 0.000 1.106 1212 H CA -0.435 55.628 56.048 0.025 0.000 1.193 1212 H CB 1.230 31.064 29.762 0.120 0.000 1.594 1212 H HN 0.294 nan 8.280 nan 0.000 0.526 1213 Y N 1.583 121.706 120.300 -0.294 0.000 2.429 1213 Y HA 0.301 4.850 4.550 -0.001 0.000 0.342 1213 Y C 0.520 176.274 175.900 -0.243 0.000 1.004 1213 Y CA -0.848 57.115 58.100 -0.228 0.000 1.075 1213 Y CB 1.772 40.136 38.460 -0.160 0.000 1.214 1213 Y HN 0.719 nan 8.280 nan 0.000 0.455 1214 S N 1.850 117.447 115.700 -0.172 0.000 2.580 1214 S HA 0.107 4.576 4.470 -0.001 0.000 0.266 1214 S C -1.964 172.656 174.600 0.033 0.000 1.354 1214 S CA -0.865 57.343 58.200 0.012 0.000 1.008 1214 S CB 0.852 63.995 63.200 -0.096 0.000 0.898 1214 S HN 0.501 nan 8.310 nan 0.000 0.555 1215 P HA -0.032 nan 4.420 nan 0.000 0.221 1215 P C 0.519 177.822 177.300 0.005 0.000 1.145 1215 P CA 1.081 64.197 63.100 0.026 0.000 0.795 1215 P CB -0.073 31.650 31.700 0.038 0.000 0.775 1216 E N -1.537 118.665 120.200 0.004 0.000 2.489 1216 E HA 0.254 4.604 4.350 -0.001 0.000 0.193 1216 E C 1.344 177.934 176.600 -0.017 0.000 1.057 1216 E CA 0.633 57.027 56.400 -0.010 0.000 0.866 1216 E CB -0.761 28.931 29.700 -0.012 0.000 0.916 1216 E HN 0.156 nan 8.360 nan 0.000 0.500 1217 G N 0.645 109.440 108.800 -0.009 0.000 2.132 1217 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.228 1217 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.228 1217 G C 0.173 175.115 174.900 0.070 0.000 1.000 1217 G CA 0.311 45.414 45.100 0.005 0.000 0.693 1217 G HN 0.269 nan 8.290 nan 0.000 0.515 1218 S N -0.241 115.468 115.700 0.015 0.000 2.429 1218 S HA 0.630 5.100 4.470 -0.001 0.000 0.302 1218 S C 0.412 174.922 174.600 -0.149 0.000 1.115 1218 S CA -0.669 57.510 58.200 -0.036 0.000 1.095 1218 S CB 0.892 64.034 63.200 -0.098 0.000 0.987 1218 S HN 1.239 nan 8.310 nan 0.000 0.474 1219 L N 6.661 127.829 121.223 -0.091 0.000 2.513 1219 L HA 0.210 4.550 4.340 -0.001 0.000 0.272 1219 L C 1.145 177.858 176.870 -0.261 0.000 1.187 1219 L CA 0.872 55.510 54.840 -0.337 0.000 0.895 1219 L CB 0.207 42.118 42.059 -0.247 0.000 1.147 1219 L HN 0.812 nan 8.230 nan 0.000 0.483 1220 H N 1.904 120.894 119.070 -0.133 0.000 2.451 1220 H HA 0.081 4.637 4.556 -0.000 0.000 0.294 1220 H C 0.287 175.614 175.328 -0.002 0.000 1.028 1220 H CA 1.100 57.141 56.048 -0.012 0.000 1.349 1220 H CB 0.041 29.848 29.762 0.075 0.000 1.444 1220 H HN 0.687 nan 8.280 nan 0.000 0.538 1221 T N 0.240 114.849 114.554 0.091 0.000 2.997 1221 T HA 0.380 4.730 4.350 -0.001 0.000 0.311 1221 T C 0.761 175.489 174.700 0.045 0.000 1.079 1221 T CA -0.624 61.538 62.100 0.104 0.000 0.982 1221 T CB 0.485 69.448 68.868 0.159 0.000 1.032 1221 T HN 0.190 nan 8.240 nan 0.000 0.581 1222 R N 1.837 122.382 120.500 0.076 0.000 2.596 1222 R HA 0.458 4.798 4.340 -0.001 0.000 0.369 1222 R C 0.658 177.016 176.300 0.098 0.000 1.042 1222 R CA -0.532 55.600 56.100 0.053 0.000 1.120 1222 R CB 1.179 31.508 30.300 0.048 0.000 1.353 1222 R HN 0.802 nan 8.270 nan 0.000 0.564 1223 G N 0.408 109.312 108.800 0.173 0.000 2.506 1223 G HA2 0.153 4.113 3.960 -0.001 0.000 0.292 1223 G HA3 0.153 4.113 3.960 -0.001 0.000 0.292 1223 G C -2.632 172.460 174.900 0.320 0.000 1.425 1223 G CA -0.763 44.481 45.100 0.240 0.000 0.788 1223 G HN -0.303 nan 8.290 nan 0.000 0.490 1224 P HA -0.067 nan 4.420 nan 0.000 0.225 1224 P C 1.851 179.214 177.300 0.104 0.000 1.148 1224 P CA 1.783 65.009 63.100 0.209 0.000 0.779 1224 P CB 0.176 32.003 31.700 0.212 0.000 0.780 1225 S N -0.552 115.214 115.700 0.110 0.000 2.428 1225 S HA -0.072 4.398 4.470 -0.001 0.000 0.230 1225 S C 1.692 176.327 174.600 0.058 0.000 1.014 1225 S CA 1.675 59.915 58.200 0.066 0.000 0.957 1225 S CB -1.559 61.678 63.200 0.062 0.000 0.784 1225 S HN 0.324 nan 8.310 nan 0.000 0.499 1226 T N -3.623 110.990 114.554 0.099 0.000 3.003 1226 T HA 0.302 4.652 4.350 -0.001 0.000 0.261 1226 T C -0.264 174.524 174.700 0.147 0.000 1.003 1226 T CA -0.430 61.728 62.100 0.097 0.000 0.917 1226 T CB -0.270 68.662 68.868 0.107 0.000 1.084 1226 T HN 0.379 nan 8.240 nan 0.000 0.522 1227 Y N 2.404 122.715 120.300 0.018 0.000 2.338 1227 Y HA 0.568 5.118 4.550 -0.000 0.000 0.328 1227 Y C -1.233 174.611 175.900 -0.093 0.000 0.965 1227 Y CA -1.435 56.662 58.100 -0.005 0.000 1.208 1227 Y CB 1.165 39.663 38.460 0.063 0.000 1.132 1227 Y HN -0.201 nan 8.280 nan 0.000 0.469 1228 K N 8.645 128.737 120.400 -0.513 0.000 2.347 1228 K HA 0.312 4.631 4.320 -0.001 0.000 0.262 1228 K C -0.230 176.046 176.600 -0.540 0.000 1.052 1228 K CA -0.411 55.632 56.287 -0.407 0.000 0.946 1228 K CB 0.518 32.867 32.500 -0.252 0.000 1.220 1228 K HN 0.847 nan 8.250 nan 0.000 0.450 1229 I N -0.513 119.744 120.570 -0.521 0.000 2.886 1229 I HA 0.398 4.567 4.170 -0.001 0.000 0.299 1229 I C -2.031 173.911 176.117 -0.290 0.000 1.044 1229 I CA -2.327 58.720 61.300 -0.422 0.000 1.310 1229 I CB 0.181 37.918 38.000 -0.438 0.000 1.441 1229 I HN 0.186 nan 8.210 nan 0.000 0.578 1230 P HA 0.170 nan 4.420 nan 0.000 0.266 1230 P C -0.803 176.407 177.300 -0.149 0.000 1.195 1230 P CA 0.037 63.034 63.100 -0.171 0.000 0.768 1230 P CB 0.700 32.310 31.700 -0.150 0.000 0.838 1231 A N 1.949 124.706 122.820 -0.104 0.000 2.312 1231 A HA 0.500 4.820 4.320 -0.001 0.000 0.310 1231 A C 0.725 178.302 177.584 -0.012 0.000 1.139 1231 A CA -0.545 51.468 52.037 -0.040 0.000 0.886 1231 A CB -0.057 18.949 19.000 0.009 0.000 1.350 1231 A HN 0.423 nan 8.150 nan 0.000 0.479 1232 F N 0.395 120.334 119.950 -0.020 0.000 2.115 1232 F HA -0.145 4.381 4.527 -0.001 0.000 0.300 1232 F C 2.464 178.258 175.800 -0.010 0.000 1.092 1232 F CA 2.581 60.581 58.000 -0.001 0.000 1.245 1232 F CB -0.216 38.786 39.000 0.004 0.000 0.995 1232 F HN 0.631 nan 8.300 nan 0.000 0.481 1233 G N -2.173 106.719 108.800 0.153 0.000 2.920 1233 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.208 1233 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.208 1233 G C 1.542 176.436 174.900 -0.011 0.000 1.159 1233 G CA 0.625 45.761 45.100 0.060 0.000 0.784 1233 G HN 0.307 nan 8.290 nan 0.000 0.535 1234 S N 0.106 115.786 115.700 -0.033 0.000 2.470 1234 S HA 0.151 4.621 4.470 -0.001 0.000 0.225 1234 S C 1.182 175.728 174.600 -0.090 0.000 1.006 1234 S CA -0.234 57.914 58.200 -0.085 0.000 0.934 1234 S CB -0.122 63.019 63.200 -0.099 0.000 0.778 1234 S HN 0.603 nan 8.310 nan 0.000 0.517 1235 I N 0.202 120.732 120.570 -0.067 0.000 2.720 1235 I HA 0.393 4.563 4.170 -0.001 0.000 0.287 1235 I C -2.905 173.138 176.117 -0.123 0.000 1.090 1235 I CA -2.616 58.618 61.300 -0.110 0.000 1.384 1235 I CB -0.116 37.858 38.000 -0.043 0.000 1.420 1235 I HN -0.218 nan 8.210 nan 0.000 0.575 1236 P HA 0.048 nan 4.420 nan 0.000 0.265 1236 P C 0.449 177.723 177.300 -0.043 0.000 1.193 1236 P CA 0.095 63.105 63.100 -0.150 0.000 0.765 1236 P CB 0.606 32.153 31.700 -0.255 0.000 0.823 1237 T N 0.845 115.389 114.554 -0.016 0.000 2.720 1237 T HA -0.130 4.220 4.350 -0.001 0.000 0.268 1237 T C 0.645 175.373 174.700 0.047 0.000 1.037 1237 T CA 1.423 63.533 62.100 0.016 0.000 1.144 1237 T CB -0.181 68.687 68.868 0.000 0.000 0.864 1237 T HN 0.441 nan 8.240 nan 0.000 0.444 1238 E N 0.385 120.610 120.200 0.042 0.000 2.129 1238 E HA 0.373 4.723 4.350 -0.001 0.000 0.268 1238 E C -1.659 175.018 176.600 0.128 0.000 0.900 1238 E CA -0.324 56.116 56.400 0.067 0.000 0.755 1238 E CB 1.193 30.910 29.700 0.029 0.000 1.117 1238 E HN 0.400 nan 8.360 nan 0.000 0.410 1239 F N 4.576 124.492 119.950 -0.056 0.000 2.610 1239 F HA 0.398 4.925 4.527 -0.001 0.000 0.355 1239 F C -0.499 175.239 175.800 -0.103 0.000 1.140 1239 F CA -0.827 57.116 58.000 -0.095 0.000 1.037 1239 F CB 0.702 39.659 39.000 -0.071 0.000 1.287 1239 F HN 0.192 nan 8.300 nan 0.000 0.457 1240 R N 5.346 125.901 120.500 0.091 0.000 2.393 1240 R HA 0.607 4.947 4.340 -0.001 0.000 0.315 1240 R C -1.428 174.793 176.300 -0.132 0.000 0.952 1240 R CA -0.929 55.129 56.100 -0.071 0.000 0.842 1240 R CB 2.680 32.960 30.300 -0.035 0.000 1.163 1240 R HN 0.297 nan 8.270 nan 0.000 0.450 1241 V N 2.042 121.834 119.914 -0.203 0.000 2.495 1241 V HA 0.401 4.521 4.120 -0.001 0.000 0.298 1241 V C -0.295 175.734 176.094 -0.108 0.000 1.031 1241 V CA -0.620 61.578 62.300 -0.171 0.000 0.871 1241 V CB 2.006 33.689 31.823 -0.234 0.000 0.988 1241 V HN 0.753 nan 8.190 nan 0.000 0.432 1242 S N 5.131 120.789 115.700 -0.070 0.000 2.521 1242 S HA 0.693 5.162 4.470 -0.001 0.000 0.295 1242 S C -0.606 173.978 174.600 -0.026 0.000 1.098 1242 S CA -0.606 57.567 58.200 -0.046 0.000 0.999 1242 S CB 1.486 64.663 63.200 -0.037 0.000 1.034 1242 S HN 0.529 nan 8.310 nan 0.000 0.483 1243 L N 2.980 124.192 121.223 -0.019 0.000 2.276 1243 L HA 0.415 4.755 4.340 -0.001 0.000 0.286 1243 L C -0.119 176.753 176.870 0.003 0.000 1.061 1243 L CA -0.921 53.917 54.840 -0.002 0.000 0.807 1243 L CB 0.489 42.547 42.059 -0.002 0.000 1.177 1243 L HN 0.472 nan 8.230 nan 0.000 0.429 1244 L N 4.363 125.596 121.223 0.016 0.000 2.540 1244 L HA 0.034 4.374 4.340 -0.001 0.000 0.276 1244 L C 0.467 177.344 176.870 0.011 0.000 1.212 1244 L CA 0.857 55.706 54.840 0.016 0.000 0.893 1244 L CB 0.082 42.159 42.059 0.030 0.000 1.138 1244 L HN 0.512 nan 8.230 nan 0.000 0.491 1245 R N 3.571 124.075 120.500 0.006 0.000 2.500 1245 R HA 0.250 4.590 4.340 -0.001 0.000 0.277 1245 R C -0.303 176.000 176.300 0.005 0.000 1.026 1245 R CA -0.601 55.501 56.100 0.003 0.000 1.058 1245 R CB 0.608 30.907 30.300 -0.001 0.000 1.078 1245 R HN 0.735 nan 8.270 nan 0.000 0.509 1246 D N 0.601 121.003 120.400 0.003 0.000 2.697 1246 D HA -0.142 4.498 4.640 -0.001 0.000 0.238 1246 D C -0.457 175.847 176.300 0.006 0.000 1.152 1246 D CA 0.980 54.982 54.000 0.003 0.000 0.666 1246 D CB -1.232 39.570 40.800 0.003 0.000 1.037 1246 D HN 0.675 nan 8.370 nan 0.000 0.423 1247 C N -1.472 117.832 119.300 0.007 0.000 3.401 1247 C HA 0.420 4.880 4.460 -0.001 0.000 0.204 1247 C C -2.215 172.776 174.990 0.002 0.000 1.522 1247 C CA -1.860 57.165 59.018 0.011 0.000 1.409 1247 C CB 0.298 28.053 27.740 0.025 0.000 1.967 1247 C HN 0.056 nan 8.230 nan 0.000 0.496 1248 P HA 0.135 nan 4.420 nan 0.000 0.268 1248 P C -0.519 176.752 177.300 -0.048 0.000 1.205 1248 P CA 0.602 63.687 63.100 -0.024 0.000 0.771 1248 P CB 0.730 32.419 31.700 -0.018 0.000 0.858 1249 N N 2.092 120.737 118.700 -0.092 0.000 2.485 1249 N HA 0.070 4.810 4.740 -0.001 0.000 0.243 1249 N C 0.888 176.294 175.510 -0.174 0.000 0.987 1249 N CA -0.344 52.603 53.050 -0.171 0.000 0.940 1249 N CB 0.524 38.821 38.487 -0.316 0.000 1.122 1249 N HN 0.261 nan 8.380 nan 0.000 0.509 1250 K N 2.406 122.728 120.400 -0.131 0.000 2.360 1250 K HA -0.019 4.301 4.320 -0.001 0.000 0.201 1250 K C 0.571 177.101 176.600 -0.117 0.000 1.046 1250 K CA 1.006 57.233 56.287 -0.101 0.000 0.945 1250 K CB 0.254 32.716 32.500 -0.063 0.000 0.750 1250 K HN 0.388 nan 8.250 nan 0.000 0.464 1251 K N -0.200 120.083 120.400 -0.194 0.000 2.426 1251 K HA 0.116 4.436 4.320 -0.001 0.000 0.193 1251 K C 0.123 176.709 176.600 -0.024 0.000 1.028 1251 K CA 0.252 56.450 56.287 -0.147 0.000 1.047 1251 K CB 0.967 33.246 32.500 -0.368 0.000 0.821 1251 K HN 0.146 nan 8.250 nan 0.000 0.513 1252 A N 0.882 123.604 122.820 -0.164 0.000 2.532 1252 A HA 0.463 4.783 4.320 -0.001 0.000 0.290 1252 A C -0.845 176.620 177.584 -0.198 0.000 1.143 1252 A CA -0.872 51.086 52.037 -0.132 0.000 0.728 1252 A CB 0.894 19.820 19.000 -0.123 0.000 1.317 1252 A HN 0.130 nan 8.150 nan 0.000 0.414 1253 I N 0.960 121.379 120.570 -0.252 0.000 2.828 1253 I HA 0.078 4.247 4.170 -0.001 0.000 0.292 1253 I C 0.079 176.059 176.117 -0.228 0.000 1.206 1253 I CA 1.385 62.458 61.300 -0.378 0.000 1.420 1253 I CB -1.045 36.727 38.000 -0.381 0.000 1.368 1253 I HN 0.635 nan 8.210 nan 0.000 0.556 1254 Y N 5.551 125.749 120.300 -0.170 0.000 3.721 1254 Y HA -0.290 4.259 4.550 -0.001 0.000 0.218 1254 Y C 1.397 177.238 175.900 -0.099 0.000 1.188 1254 Y CA 0.604 58.633 58.100 -0.119 0.000 1.607 1254 Y CB -1.884 36.524 38.460 -0.087 0.000 1.496 1254 Y HN 1.037 nan 8.280 nan 0.000 0.626 1255 A N -1.378 121.429 122.820 -0.021 0.000 2.952 1255 A HA -0.249 4.070 4.320 -0.001 0.000 0.252 1255 A C 1.007 178.554 177.584 -0.062 0.000 1.323 1255 A CA 1.005 53.010 52.037 -0.053 0.000 0.957 1255 A CB -2.004 16.984 19.000 -0.020 0.000 1.130 1255 A HN 1.309 nan 8.150 nan 0.000 0.799 1256 S N -0.876 114.795 115.700 -0.050 0.000 2.655 1256 S HA 0.754 5.224 4.470 -0.001 0.000 0.265 1256 S C -0.045 174.506 174.600 -0.081 0.000 1.240 1256 S CA 0.028 58.207 58.200 -0.036 0.000 0.986 1256 S CB 1.365 64.567 63.200 0.004 0.000 0.985 1256 S HN 0.576 nan 8.310 nan 0.000 0.562 1257 K N -0.433 119.962 120.400 -0.008 0.000 2.477 1257 K HA 0.642 4.962 4.320 -0.001 0.000 0.255 1257 K C -0.733 175.958 176.600 0.153 0.000 0.952 1257 K CA -0.910 55.428 56.287 0.085 0.000 0.826 1257 K CB 2.173 34.745 32.500 0.120 0.000 1.331 1257 K HN 0.835 nan 8.250 nan 0.000 0.437 1258 A N 0.942 123.913 122.820 0.252 0.000 2.540 1258 A HA 0.124 4.444 4.320 -0.001 0.000 0.239 1258 A C 0.578 178.202 177.584 0.067 0.000 1.061 1258 A CA 0.078 52.184 52.037 0.115 0.000 0.758 1258 A CB 0.416 19.449 19.000 0.055 0.000 0.991 1258 A HN 0.523 nan 8.150 nan 0.000 0.502 1259 V N 2.581 122.510 119.914 0.025 0.000 3.426 1259 V HA 0.213 4.332 4.120 -0.001 0.000 0.271 1259 V C 1.780 177.863 176.094 -0.018 0.000 1.530 1259 V CA 1.460 63.766 62.300 0.010 0.000 1.021 1259 V CB -0.206 31.634 31.823 0.029 0.000 0.824 1259 V HN 1.110 nan 8.190 nan 0.000 0.432 1260 G N 0.356 109.142 108.800 -0.024 0.000 2.514 1260 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.217 1260 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.217 1260 G C 1.224 176.097 174.900 -0.045 0.000 1.198 1260 G CA 1.547 46.643 45.100 -0.007 0.000 0.780 1260 G HN 0.599 nan 8.290 nan 0.000 0.565 1261 E N 0.369 120.460 120.200 -0.182 0.000 2.166 1261 E HA 0.020 4.370 4.350 -0.001 0.000 0.192 1261 E C -0.161 176.072 176.600 -0.611 0.000 0.967 1261 E CA 0.068 56.249 56.400 -0.364 0.000 0.840 1261 E CB -0.038 29.351 29.700 -0.518 0.000 0.795 1261 E HN 0.288 nan 8.360 nan 0.000 0.470 1262 P HA -0.161 nan 4.420 nan 0.000 0.217 1262 P C -1.707 175.528 177.300 -0.108 0.000 1.151 1262 P CA 1.803 64.612 63.100 -0.484 0.000 0.849 1262 P CB -0.808 30.793 31.700 -0.165 0.000 0.787 1263 P HA -0.017 nan 4.420 nan 0.000 0.231 1263 P C 1.565 178.963 177.300 0.163 0.000 1.168 1263 P CA 0.511 63.681 63.100 0.116 0.000 0.779 1263 P CB -0.411 31.369 31.700 0.132 0.000 0.844 1264 L N -1.155 120.123 121.223 0.091 0.000 2.042 1264 L HA -0.180 4.160 4.340 -0.001 0.000 0.210 1264 L C 2.204 179.180 176.870 0.175 0.000 1.076 1264 L CA 1.662 56.560 54.840 0.096 0.000 0.749 1264 L CB -0.743 41.340 42.059 0.040 0.000 0.893 1264 L HN -0.112 nan 8.230 nan 0.000 0.432 1265 F N 0.229 120.254 119.950 0.125 0.000 2.269 1265 F HA -0.204 4.323 4.527 -0.001 0.000 0.301 1265 F C 1.889 177.817 175.800 0.213 0.000 1.082 1265 F CA 1.393 59.531 58.000 0.229 0.000 1.360 1265 F CB -0.323 38.797 39.000 0.200 0.000 1.041 1265 F HN 0.021 nan 8.300 nan 0.000 0.512 1266 L N -0.150 121.107 121.223 0.058 0.000 2.353 1266 L HA -0.132 4.207 4.340 -0.001 0.000 0.220 1266 L C 2.697 179.586 176.870 0.031 0.000 1.133 1266 L CA 0.893 55.765 54.840 0.053 0.000 0.798 1266 L CB -1.531 40.704 42.059 0.293 0.000 0.922 1266 L HN 0.326 nan 8.230 nan 0.000 0.445 1267 G N 0.044 108.724 108.800 -0.200 0.000 2.499 1267 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.221 1267 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.221 1267 G C 1.739 176.478 174.900 -0.268 0.000 1.109 1267 G CA 0.791 45.538 45.100 -0.589 0.000 0.749 1267 G HN 0.493 nan 8.290 nan 0.000 0.568 1268 A N 1.318 123.873 122.820 -0.441 0.000 2.070 1268 A HA 0.006 4.326 4.320 -0.001 0.000 0.220 1268 A C 2.682 180.182 177.584 -0.139 0.000 1.159 1268 A CA 2.126 53.744 52.037 -0.699 0.000 0.656 1268 A CB -0.601 17.656 19.000 -1.239 0.000 0.800 1268 A HN 0.737 nan 8.150 nan 0.000 0.453 1269 S N -0.092 115.579 115.700 -0.049 0.000 2.402 1269 S HA -0.167 4.302 4.470 -0.001 0.000 0.233 1269 S C 1.680 176.351 174.600 0.118 0.000 1.030 1269 S CA 1.556 59.826 58.200 0.116 0.000 1.003 1269 S CB -1.018 62.266 63.200 0.140 0.000 0.813 1269 S HN 0.302 nan 8.310 nan 0.000 0.477 1270 V N 0.970 120.923 119.914 0.065 0.000 2.358 1270 V HA -0.078 4.041 4.120 -0.001 0.000 0.246 1270 V C 2.079 178.154 176.094 -0.032 0.000 1.047 1270 V CA 1.943 64.259 62.300 0.028 0.000 1.035 1270 V CB -1.099 30.728 31.823 0.008 0.000 0.658 1270 V HN 0.547 nan 8.190 nan 0.000 0.452 1271 F N 0.569 120.391 119.950 -0.213 0.000 2.102 1271 F HA -0.187 4.339 4.527 -0.000 0.000 0.298 1271 F C 2.039 177.630 175.800 -0.348 0.000 1.105 1271 F CA 1.853 59.651 58.000 -0.337 0.000 1.239 1271 F CB -0.317 38.361 39.000 -0.537 0.000 0.991 1271 F HN 0.124 nan 8.300 nan 0.000 0.474 1272 F N 0.071 120.105 119.950 0.140 0.000 2.325 1272 F HA 0.015 4.542 4.527 -0.001 0.000 0.299 1272 F C 2.457 178.237 175.800 -0.035 0.000 1.090 1272 F CA 0.695 58.728 58.000 0.054 0.000 1.392 1272 F CB -0.985 38.063 39.000 0.081 0.000 1.053 1272 F HN 0.068 nan 8.300 nan 0.000 0.521 1273 A N 0.654 123.532 122.820 0.097 0.000 1.902 1273 A HA -0.150 4.169 4.320 -0.001 0.000 0.217 1273 A C 2.204 179.755 177.584 -0.055 0.000 1.181 1273 A CA 1.511 53.565 52.037 0.028 0.000 0.623 1273 A CB -0.993 18.019 19.000 0.020 0.000 0.818 1273 A HN 0.377 nan 8.150 nan 0.000 0.443 1274 I N -0.639 119.830 120.570 -0.167 0.000 2.226 1274 I HA -0.278 3.892 4.170 -0.001 0.000 0.245 1274 I C 2.570 178.572 176.117 -0.190 0.000 1.100 1274 I CA 1.854 63.007 61.300 -0.246 0.000 1.374 1274 I CB -0.262 37.480 38.000 -0.431 0.000 1.057 1274 I HN 0.367 nan 8.210 nan 0.000 0.413 1275 K N 0.835 121.086 120.400 -0.248 0.000 2.063 1275 K HA -0.265 4.054 4.320 -0.001 0.000 0.208 1275 K C 1.669 178.315 176.600 0.077 0.000 1.048 1275 K CA 2.151 58.378 56.287 -0.099 0.000 0.928 1275 K CB -0.092 32.328 32.500 -0.133 0.000 0.713 1275 K HN 0.187 nan 8.250 nan 0.000 0.442 1276 D N -0.374 120.062 120.400 0.060 0.000 2.144 1276 D HA -0.096 4.544 4.640 -0.001 0.000 0.199 1276 D C 1.649 177.989 176.300 0.067 0.000 0.984 1276 D CA 1.257 55.306 54.000 0.083 0.000 0.834 1276 D CB 0.030 40.873 40.800 0.072 0.000 0.955 1276 D HN 0.352 nan 8.370 nan 0.000 0.465 1277 A N 0.075 122.914 122.820 0.031 0.000 1.902 1277 A HA -0.134 4.186 4.320 -0.001 0.000 0.217 1277 A C 2.240 179.851 177.584 0.044 0.000 1.181 1277 A CA 0.928 52.983 52.037 0.030 0.000 0.623 1277 A CB -0.705 18.295 19.000 0.001 0.000 0.818 1277 A HN 0.272 nan 8.150 nan 0.000 0.443 1278 I N -0.878 119.720 120.570 0.046 0.000 2.226 1278 I HA -0.274 3.896 4.170 -0.001 0.000 0.245 1278 I C 2.743 178.876 176.117 0.026 0.000 1.100 1278 I CA 1.282 62.601 61.300 0.030 0.000 1.374 1278 I CB -0.360 37.673 38.000 0.055 0.000 1.057 1278 I HN 0.293 nan 8.210 nan 0.000 0.413 1279 R N 0.722 121.308 120.500 0.143 0.000 2.105 1279 R HA -0.153 4.187 4.340 -0.001 0.000 0.239 1279 R C 2.437 178.778 176.300 0.068 0.000 1.135 1279 R CA 1.520 57.714 56.100 0.157 0.000 0.967 1279 R CB -0.447 29.988 30.300 0.226 0.000 0.861 1279 R HN 0.387 nan 8.270 nan 0.000 0.442 1280 A N 1.178 124.032 122.820 0.057 0.000 1.898 1280 A HA -0.068 4.252 4.320 -0.001 0.000 0.216 1280 A C 2.373 179.962 177.584 0.007 0.000 1.181 1280 A CA 1.538 53.594 52.037 0.032 0.000 0.620 1280 A CB -0.531 18.497 19.000 0.046 0.000 0.819 1280 A HN 0.382 nan 8.150 nan 0.000 0.442 1281 A N -0.059 122.776 122.820 0.024 0.000 1.902 1281 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 1281 A C 2.243 179.842 177.584 0.027 0.000 1.181 1281 A CA 1.617 53.681 52.037 0.045 0.000 0.623 1281 A CB -0.449 18.595 19.000 0.074 0.000 0.818 1281 A HN 0.548 nan 8.150 nan 0.000 0.443 1282 R N -0.565 119.921 120.500 -0.023 0.000 2.092 1282 R HA -0.004 4.336 4.340 -0.001 0.000 0.231 1282 R C 2.439 178.721 176.300 -0.032 0.000 1.119 1282 R CA 1.044 57.116 56.100 -0.047 0.000 0.970 1282 R CB -0.439 29.777 30.300 -0.140 0.000 0.864 1282 R HN 0.508 nan 8.270 nan 0.000 0.440 1283 A N 0.956 123.759 122.820 -0.029 0.000 1.933 1283 A HA -0.272 4.047 4.320 -0.001 0.000 0.218 1283 A C 2.117 179.643 177.584 -0.097 0.000 1.175 1283 A CA 1.627 53.641 52.037 -0.040 0.000 0.628 1283 A CB -0.413 18.573 19.000 -0.023 0.000 0.814 1283 A HN 0.295 nan 8.150 nan 0.000 0.444 1284 Q N -1.341 118.363 119.800 -0.160 0.000 2.083 1284 Q HA -0.148 4.192 4.340 -0.001 0.000 0.198 1284 Q C 1.648 177.372 176.000 -0.460 0.000 0.969 1284 Q CA 1.879 57.469 55.803 -0.356 0.000 0.838 1284 Q CB -0.138 28.299 28.738 -0.502 0.000 0.900 1284 Q HN 0.766 nan 8.270 nan 0.000 0.436 1285 H N -1.321 117.677 119.070 -0.119 0.000 2.874 1285 H HA 0.226 4.782 4.556 -0.001 0.000 0.264 1285 H C 0.847 176.143 175.328 -0.053 0.000 1.007 1285 H CA 0.982 56.970 56.048 -0.101 0.000 1.207 1285 H CB 0.703 30.410 29.762 -0.092 0.000 1.487 1285 H HN 0.444 nan 8.280 nan 0.000 0.505 1286 T N -0.743 113.836 114.554 0.040 0.000 2.747 1286 T HA 0.110 4.460 4.350 -0.001 0.000 0.236 1286 T C 0.949 175.649 174.700 -0.001 0.000 1.046 1286 T CA -0.720 61.392 62.100 0.019 0.000 1.054 1286 T CB 0.340 69.211 68.868 0.005 0.000 2.287 1286 T HN 0.329 nan 8.240 nan 0.000 0.523 1287 N N 1.167 119.868 118.700 0.002 0.000 2.204 1287 N HA -0.007 4.733 4.740 -0.001 0.000 0.232 1287 N C -0.473 175.035 175.510 -0.004 0.000 1.340 1287 N CA -0.240 52.812 53.050 0.004 0.000 0.883 1287 N CB -0.079 38.418 38.487 0.016 0.000 1.109 1287 N HN 0.542 nan 8.380 nan 0.000 0.470 1288 N N -1.298 117.403 118.700 0.002 0.000 2.338 1288 N HA 0.125 4.865 4.740 -0.001 0.000 0.251 1288 N C -1.127 174.392 175.510 0.015 0.000 1.199 1288 N CA -0.214 52.836 53.050 0.001 0.000 0.879 1288 N CB -0.072 38.412 38.487 -0.005 0.000 1.159 1288 N HN 0.417 nan 8.380 nan 0.000 0.514 1289 N N 0.825 119.541 118.700 0.027 0.000 2.602 1289 N HA 0.025 4.765 4.740 -0.001 0.000 0.238 1289 N C 0.814 176.357 175.510 0.054 0.000 1.084 1289 N CA 0.226 53.302 53.050 0.043 0.000 0.952 1289 N CB 0.864 39.383 38.487 0.053 0.000 1.244 1289 N HN 0.281 nan 8.380 nan 0.000 0.512 1290 T N -0.745 113.838 114.554 0.049 0.000 3.035 1290 T HA -0.002 4.347 4.350 -0.001 0.000 0.268 1290 T C 1.141 175.885 174.700 0.075 0.000 1.109 1290 T CA 0.916 63.050 62.100 0.058 0.000 1.119 1290 T CB 0.156 69.051 68.868 0.044 0.000 0.900 1290 T HN 0.275 nan 8.240 nan 0.000 0.503 1291 K N 1.277 121.722 120.400 0.075 0.000 2.446 1291 K HA 0.180 4.500 4.320 -0.001 0.000 0.203 1291 K C 0.599 177.260 176.600 0.102 0.000 1.027 1291 K CA -0.184 56.154 56.287 0.084 0.000 1.166 1291 K CB 0.312 32.858 32.500 0.077 0.000 0.869 1291 K HN 0.552 nan 8.250 nan 0.000 0.504 1292 E N 1.964 122.235 120.200 0.118 0.000 2.344 1292 E HA 0.057 4.407 4.350 -0.001 0.000 0.270 1292 E C -0.887 175.836 176.600 0.206 0.000 1.021 1292 E CA -0.036 56.454 56.400 0.151 0.000 0.887 1292 E CB 0.560 30.351 29.700 0.151 0.000 0.997 1292 E HN 0.132 nan 8.360 nan 0.000 0.429 1293 L N 5.586 126.923 121.223 0.189 0.000 2.325 1293 L HA 0.549 4.889 4.340 -0.001 0.000 0.278 1293 L C -0.295 176.732 176.870 0.261 0.000 1.023 1293 L CA -1.026 53.911 54.840 0.163 0.000 0.811 1293 L CB 0.749 42.872 42.059 0.106 0.000 1.249 1293 L HN 0.501 nan 8.230 nan 0.000 0.431 1294 F N -0.403 119.610 119.950 0.105 0.000 2.613 1294 F HA 0.634 5.160 4.527 -0.001 0.000 0.310 1294 F C -0.536 175.345 175.800 0.134 0.000 1.085 1294 F CA -1.270 56.793 58.000 0.105 0.000 0.945 1294 F CB 1.477 40.528 39.000 0.085 0.000 1.298 1294 F HN 0.335 nan 8.300 nan 0.000 0.455 1295 R N 2.635 123.276 120.500 0.234 0.000 2.234 1295 R HA 0.615 4.954 4.340 -0.001 0.000 0.324 1295 R C -1.843 174.610 176.300 0.255 0.000 1.054 1295 R CA -0.611 55.599 56.100 0.184 0.000 0.912 1295 R CB 0.953 31.377 30.300 0.206 0.000 1.030 1295 R HN 0.853 nan 8.270 nan 0.000 0.455 1296 L N 5.412 126.757 121.223 0.204 0.000 2.388 1296 L HA 0.355 4.695 4.340 -0.001 0.000 0.267 1296 L C -1.098 176.042 176.870 0.452 0.000 0.995 1296 L CA -0.462 54.564 54.840 0.310 0.000 0.864 1296 L CB 1.290 43.487 42.059 0.230 0.000 1.216 1296 L HN 0.688 nan 8.230 nan 0.000 0.430 1297 D N 1.318 121.964 120.400 0.411 0.000 2.384 1297 D HA 0.180 4.820 4.640 -0.001 0.000 0.244 1297 D C -0.226 176.347 176.300 0.456 0.000 1.251 1297 D CA 0.077 54.343 54.000 0.442 0.000 0.961 1297 D CB 1.296 42.339 40.800 0.405 0.000 1.116 1297 D HN 0.425 nan 8.370 nan 0.000 0.484 1298 S N -0.026 115.816 115.700 0.237 0.000 2.509 1298 S HA 0.521 4.990 4.470 -0.001 0.000 0.297 1298 S C -2.667 171.955 174.600 0.038 0.000 1.118 1298 S CA -1.515 56.693 58.200 0.014 0.000 1.074 1298 S CB 1.295 64.120 63.200 -0.624 0.000 1.038 1298 S HN 0.143 nan 8.310 nan 0.000 0.498 1299 P HA 0.254 nan 4.420 nan 0.000 0.278 1299 P C -1.212 176.202 177.300 0.190 0.000 1.238 1299 P CA -0.484 62.666 63.100 0.083 0.000 0.794 1299 P CB 0.778 32.480 31.700 0.003 0.000 0.955 1300 A N 2.635 125.609 122.820 0.257 0.000 2.990 1300 A HA 0.338 4.658 4.320 -0.001 0.000 0.282 1300 A C 1.008 178.614 177.584 0.036 0.000 1.688 1300 A CA -0.167 51.938 52.037 0.114 0.000 1.391 1300 A CB -1.430 17.506 19.000 -0.107 0.000 1.112 1300 A HN 0.607 nan 8.150 nan 0.000 0.588 1301 T N -0.542 114.044 114.554 0.053 0.000 2.788 1301 T HA 0.329 4.678 4.350 -0.001 0.000 0.287 1301 T C -1.612 173.104 174.700 0.028 0.000 1.007 1301 T CA -1.280 60.840 62.100 0.032 0.000 1.005 1301 T CB 0.485 69.370 68.868 0.028 0.000 1.012 1301 T HN 0.178 nan 8.240 nan 0.000 0.530 1302 P HA -0.158 nan 4.420 nan 0.000 0.216 1302 P C 1.533 178.842 177.300 0.015 0.000 1.154 1302 P CA 1.366 64.480 63.100 0.024 0.000 0.865 1302 P CB 0.024 31.730 31.700 0.011 0.000 0.789 1303 E N 0.334 120.541 120.200 0.012 0.000 2.058 1303 E HA -0.254 4.096 4.350 -0.001 0.000 0.194 1303 E C 1.739 178.358 176.600 0.032 0.000 0.997 1303 E CA 1.494 57.903 56.400 0.015 0.000 0.801 1303 E CB -0.212 29.495 29.700 0.011 0.000 0.746 1303 E HN 0.170 nan 8.360 nan 0.000 0.450 1304 K N 0.057 120.485 120.400 0.047 0.000 2.057 1304 K HA -0.088 4.232 4.320 -0.001 0.000 0.206 1304 K C 2.327 178.956 176.600 0.049 0.000 1.050 1304 K CA 1.279 57.607 56.287 0.068 0.000 0.935 1304 K CB -0.125 32.437 32.500 0.102 0.000 0.715 1304 K HN 0.255 nan 8.250 nan 0.000 0.439 1305 I N 0.758 121.341 120.570 0.021 0.000 2.142 1305 I HA -0.277 3.892 4.170 -0.001 0.000 0.240 1305 I C 2.623 178.745 176.117 0.009 0.000 1.078 1305 I CA 1.043 62.343 61.300 -0.001 0.000 1.343 1305 I CB -0.201 37.785 38.000 -0.023 0.000 1.046 1305 I HN 0.051 nan 8.210 nan 0.000 0.405 1306 R N 1.666 122.175 120.500 0.015 0.000 2.083 1306 R HA -0.171 4.168 4.340 -0.001 0.000 0.237 1306 R C 1.943 178.254 176.300 0.019 0.000 1.137 1306 R CA 1.850 57.959 56.100 0.016 0.000 0.951 1306 R CB -0.705 29.599 30.300 0.007 0.000 0.851 1306 R HN 0.302 nan 8.270 nan 0.000 0.434 1307 N N 0.177 118.891 118.700 0.022 0.000 2.223 1307 N HA -0.112 4.628 4.740 -0.001 0.000 0.185 1307 N C 1.318 176.833 175.510 0.009 0.000 1.016 1307 N CA 1.608 54.674 53.050 0.026 0.000 0.863 1307 N CB -0.380 38.130 38.487 0.039 0.000 0.983 1307 N HN 0.396 nan 8.380 nan 0.000 0.429 1308 A N -0.343 122.473 122.820 -0.007 0.000 2.119 1308 A HA 0.019 4.339 4.320 -0.001 0.000 0.216 1308 A C 1.125 178.620 177.584 -0.149 0.000 1.152 1308 A CA 0.219 52.203 52.037 -0.088 0.000 0.708 1308 A CB -0.234 18.727 19.000 -0.066 0.000 0.805 1308 A HN 0.335 nan 8.150 nan 0.000 0.460 1309 C N 1.919 121.185 119.300 -0.057 0.000 3.025 1309 C HA 0.384 4.843 4.460 -0.001 0.000 0.547 1309 C C 0.682 175.683 174.990 0.018 0.000 1.058 1309 C CA -1.038 57.969 59.018 -0.018 0.000 1.164 1309 C CB -2.309 25.455 27.740 0.041 0.000 1.405 1309 C HN 0.313 nan 8.230 nan 0.000 0.610 1310 V N 4.243 124.147 119.914 -0.017 0.000 2.599 1310 V HA 0.230 4.350 4.120 -0.001 0.000 0.300 1310 V C 0.307 176.435 176.094 0.057 0.000 1.034 1310 V CA 0.950 63.259 62.300 0.015 0.000 1.115 1310 V CB 0.406 32.222 31.823 -0.012 0.000 0.934 1310 V HN 0.873 nan 8.190 nan 0.000 0.485 1311 D N 2.845 123.289 120.400 0.073 0.000 2.946 1311 D HA 0.196 4.835 4.640 -0.001 0.000 0.337 1311 D C 0.582 176.898 176.300 0.026 0.000 1.332 1311 D CA -0.436 53.612 54.000 0.080 0.000 0.935 1311 D CB 0.689 41.556 40.800 0.113 0.000 1.440 1311 D HN 0.353 nan 8.370 nan 0.000 0.540 1312 K N -0.482 119.877 120.400 -0.070 0.000 2.283 1312 K HA -0.006 4.314 4.320 -0.001 0.000 0.202 1312 K C 1.081 177.433 176.600 -0.413 0.000 1.048 1312 K CA 1.122 57.242 56.287 -0.278 0.000 0.948 1312 K CB -0.475 31.786 32.500 -0.399 0.000 0.742 1312 K HN 0.279 nan 8.250 nan 0.000 0.458 1313 F N 2.260 122.212 119.950 0.004 0.000 2.220 1313 F HA -0.040 4.487 4.527 -0.001 0.000 0.290 1313 F C 2.931 178.721 175.800 -0.017 0.000 1.080 1313 F CA 1.177 59.160 58.000 -0.028 0.000 1.318 1313 F CB -0.799 38.156 39.000 -0.075 0.000 1.063 1313 F HN 0.130 nan 8.300 nan 0.000 0.498 1314 T N -1.778 112.874 114.554 0.164 0.000 2.788 1314 T HA -0.110 4.240 4.350 -0.001 0.000 0.268 1314 T C 1.254 175.985 174.700 0.050 0.000 1.044 1314 T CA 1.256 63.410 62.100 0.089 0.000 1.139 1314 T CB -1.399 67.511 68.868 0.070 0.000 0.867 1314 T HN 0.281 nan 8.240 nan 0.000 0.454 1315 T N 0.000 114.571 114.554 0.029 0.000 3.816 1315 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 1315 T CA 0.000 62.105 62.100 0.009 0.000 1.349 1315 T CB 0.000 68.866 68.868 -0.004 0.000 0.612 1315 T HN 0.000 nan 8.240 nan 0.000 0.658